smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc([N+](=O)[O-])c(OCCOCC[NH+]2CCC(C)CC2)c1	ZINC000004841226	181161343	/nfs/dbraw/zinc/16/13/43/181161343.db2.gz	BAVHDYNTQWNLHD-UHFFFAOYSA-N	1	0	322.405	3.031	50	5		DGBARO
Cc1cccc(C(=O)Nc2ccccc2C[NH+](C)C)c1[N+](=O)[O-]	ZINC000024808131	182391679	/nfs/dbraw/zinc/39/16/79/182391679.db2.gz	CUCGZAMOKPXRDF-UHFFFAOYSA-N	1	0	313.357	3.217	50	5		DGBARO
CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C[C@H](O)c1ccccc1	ZINC000040088673	183032953	/nfs/dbraw/zinc/03/29/53/183032953.db2.gz	CTSBVQCWPZYDAF-KRWDZBQOSA-N	1	0	300.358	3.150	50	5		DGBARO
Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](CCC(C)C)C1CC1	ZINC000058148108	184080786	/nfs/dbraw/zinc/08/07/86/184080786.db2.gz	NWFSMWFKLNWOSQ-UHFFFAOYSA-N	1	0	319.405	3.352	50	5		DGBARO
COc1cc2c(cc1OC)[C@@H]1[C@@H]3CC=CC[C@@H]3C[N@@+]1(C)CC2	ZINC000247536870	432239308	/nfs/dbraw/zinc/23/93/08/432239308.db2.gz	ACFBTUAMHMCOQE-XWYPRVOQSA-N	1	0	300.422	3.344	50	5		DGBARO
COc1ccc2[nH]c3c(c2c1)CC[NH2+][C@H]3c1ccc([N+](=O)[O-])cc1	ZINC000019874468	277940842	/nfs/dbraw/zinc/94/08/42/277940842.db2.gz	WFEYXSMSLILRMA-KRWDZBQOSA-N	1	0	323.352	3.320	50	5		DGBARO
C[C@H]1CCC[C@H]([NH+]2CCN(Cc3cccc([N+](=O)[O-])c3)CC2)C1	ZINC000000178694	431138708	/nfs/dbraw/zinc/13/87/08/431138708.db2.gz	RFNWBFJIRUPYHH-RDJZCZTQSA-N	1	0	317.433	3.291	50	5		DGBARO
C[N+]12CCC(CC1)[C@@H]([C@](O)(c1cccs1)c1ccccc1)C2	ZINC000000204030	431145139	/nfs/dbraw/zinc/14/51/39/431145139.db2.gz	RTYCBSXJHMCRFB-QVWCLXPZSA-N	1	0	314.474	3.470	50	5		DGBARO
O=[N+]([O-])c1ccccc1-c1ccc(C[N@H+]2CCC[C@H](CO)C2)o1	ZINC000004986603	431304228	/nfs/dbraw/zinc/30/42/28/431304228.db2.gz	FJJOKZBVCRHNQS-ZDUSSCGKSA-N	1	0	316.357	3.059	50	5		DGBARO
C[N+]12CCC(CC1)[C@H](C(O)(c1ccccc1)c1ccccc1)C2	ZINC000001305906	280177912	/nfs/dbraw/zinc/17/79/12/280177912.db2.gz	AFGDQXJPXOHZNF-LVKMRUPZSA-N	1	0	308.445	3.409	50	5		DGBARO
CCC(CC)[C@H](CNC(=O)Nc1ccccc1[N+](=O)[O-])[NH+](C)C	ZINC000032907381	431800274	/nfs/dbraw/zinc/80/02/74/431800274.db2.gz	XKRWZYNFFYWXAC-HNNXBMFYSA-N	1	0	322.409	3.083	50	5		DGBARO
CNc1ccc(C[NH2+][C@H]2CCCc3occc32)cc1[N+](=O)[O-]	ZINC000089396007	431864922	/nfs/dbraw/zinc/86/49/22/431864922.db2.gz	SCUXFVBMSSNHSD-ZDUSSCGKSA-N	1	0	301.346	3.397	50	5		DGBARO
CC[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])Cc1ccoc1	ZINC000095430647	185362928	/nfs/dbraw/zinc/36/29/28/185362928.db2.gz	VEHSYMDYJCHZNO-UHFFFAOYSA-N	1	0	317.345	3.039	50	5		DGBARO
C[C@H]1CCC[C@H]([NH+]2CCN(Cc3ccccc3[N+](=O)[O-])CC2)C1	ZINC000004170508	181081774	/nfs/dbraw/zinc/08/17/74/181081774.db2.gz	OGZVPWVHKLFRRJ-RDJZCZTQSA-N	1	0	317.433	3.291	50	5		DGBARO
CSc1ccc(C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1	ZINC000023409308	182360164	/nfs/dbraw/zinc/36/01/64/182360164.db2.gz	GYRWRGMVFYOOCH-MRXNPFEDSA-N	1	0	318.398	3.140	50	5		DGBARO
O=[N+]([O-])c1cccnc1N[C@H]1CCC[N@H+](Cc2ccccc2)C1	ZINC000040091219	183033486	/nfs/dbraw/zinc/03/34/86/183033486.db2.gz	FSVQJOLITOLZBM-HNNXBMFYSA-N	1	0	312.373	3.066	50	5		DGBARO
CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CCc1ccc(F)cc1	ZINC000058140428	184080235	/nfs/dbraw/zinc/08/02/35/184080235.db2.gz	GYCPCKWLTNZWPG-UHFFFAOYSA-N	1	0	318.348	3.465	50	5		DGBARO
CC[N+]1(Cc2cc(CCC(=O)OC)ccc2OC)CCCCC1	ZINC000000502033	431194616	/nfs/dbraw/zinc/19/46/16/431194616.db2.gz	MRFWJCAPJYSHGM-UHFFFAOYSA-N	1	0	320.453	3.321	50	5		DGBARO
Cc1nn(C)c(C)c1[C@H](C)[NH2+]Cc1ccc(Cl)c([N+](=O)[O-])c1	ZINC000078553241	431681906	/nfs/dbraw/zinc/68/19/06/431681906.db2.gz	RRZJQUIISJPRAU-VIFPVBQESA-N	1	0	322.796	3.449	50	5		DGBARO
Cc1cc(N2CCC([C@@H](C)O)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1	ZINC000097083868	280546450	/nfs/dbraw/zinc/54/64/50/280546450.db2.gz	BGFFZTXEFQHQDG-GFCCVEGCSA-N	1	0	315.373	3.049	50	5		DGBARO
Cc1c([C@@H](C)[NH2+]CCOc2cccnc2)cccc1[N+](=O)[O-]	ZINC000096477689	431952770	/nfs/dbraw/zinc/95/27/70/431952770.db2.gz	ALKJZCUVKMEVOO-CYBMUJFWSA-N	1	0	301.346	3.028	50	5		DGBARO
O=[N+]([O-])c1ccc(CC[NH2+][C@H]2CCO[C@H]2c2ccccc2)cc1	ZINC000191955079	432318773	/nfs/dbraw/zinc/31/87/73/432318773.db2.gz	PWFGQAISFDDHKJ-ROUUACIJSA-N	1	0	312.369	3.257	50	5		DGBARO
C[C@H]([NH2+]CCc1ccccc1F)c1ccc(N)c([N+](=O)[O-])c1	ZINC000239667956	563905819	/nfs/dbraw/zinc/90/58/19/563905819.db2.gz	BSHCXVDYEWCEFB-NSHDSACASA-N	1	0	303.337	3.209	50	5		DGBARO
CCCOc1ccc(C(=O)OCCC[N+](C)(CC)CC)c(O)c1	ZINC000822978986	717191698	/nfs/dbraw/zinc/19/16/98/717191698.db2.gz	FSJUDASTXSWKHM-UHFFFAOYSA-O	1	0	324.441	3.214	50	5		DGBARO
CC[N+](C)(CC)C[C@H](O)COCCC12CC3CC(CC(C3)C1)C2	ZINC000003864464	181050909	/nfs/dbraw/zinc/05/09/09/181050909.db2.gz	ZTWIURWVTIHMCY-NRFBVMONSA-N	1	0	324.529	3.457	50	5		DGBARO
CC[N+](C)(CC)C[C@@H](O)COCCC12CC3CC(CC(C3)C1)C2	ZINC000003864465	181051055	/nfs/dbraw/zinc/05/10/55/181051055.db2.gz	ZTWIURWVTIHMCY-WFRNDULYSA-N	1	0	324.529	3.457	50	5		DGBARO
COc1cc(C[NH2+]C(C)(C)c2ccc([N+](=O)[O-])cc2)ccc1O	ZINC000194993021	201322951	/nfs/dbraw/zinc/32/29/51/201322951.db2.gz	QYWOFTOUCDYJNG-UHFFFAOYSA-N	1	0	316.357	3.334	50	5		DGBARO
Cc1c(C[NH+]2CCC(Cn3cccn3)CC2)cccc1[N+](=O)[O-]	ZINC000105887095	194157989	/nfs/dbraw/zinc/15/79/89/194157989.db2.gz	FNUITLABFURYAD-UHFFFAOYSA-N	1	0	314.389	3.012	50	5		DGBARO
O=[N+]([O-])c1ccc(CN2CC[NH+](C[C@H]3CC=CCC3)CC2)cc1	ZINC000000178710	431139708	/nfs/dbraw/zinc/13/97/08/431139708.db2.gz	JQDRKZZHLVIHBU-INIZCTEOSA-N	1	0	315.417	3.069	50	5		DGBARO
C[C@H](c1ccccc1)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1	ZINC000023674109	431639470	/nfs/dbraw/zinc/63/94/70/431639470.db2.gz	QRCMMKXUUPZZIG-OAHLLOKOSA-N	1	0	311.385	3.478	50	5		DGBARO
O=[N+]([O-])c1cccc(-c2c[n+](-c3ccccc3)c3n2CCS3)c1	ZINC000027788664	431695214	/nfs/dbraw/zinc/69/52/14/431695214.db2.gz	ZTOOHURHIPDISO-UHFFFAOYSA-N	1	0	324.385	3.446	50	5		DGBARO
C[N+]1(C)CCc2cc3c(c4c2[C@H]1Cc1ccc(O)cc1-4)OCO3	ZINC000000487621	180806059	/nfs/dbraw/zinc/80/60/59/180806059.db2.gz	DQWPYNHMMBDKES-OAHLLOKOSA-O	1	0	310.373	3.018	50	5	biogenic	DGBARO
C[C@@H]1CCC[C@@H]([NH+]2CCN(Cc3ccccc3[N+](=O)[O-])CC2)C1	ZINC000004170509	181081445	/nfs/dbraw/zinc/08/14/45/181081445.db2.gz	OGZVPWVHKLFRRJ-NVXWUHKLSA-N	1	0	317.433	3.291	50	5		DGBARO
Cc1ccc([C@@](C)(O)C[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)o1	ZINC000187958148	200182793	/nfs/dbraw/zinc/18/27/93/200182793.db2.gz	SGDCNXHZSFUANN-HNNXBMFYSA-N	1	0	324.764	3.147	50	5		DGBARO
CCC(CC)[C@H](CNC(=O)Nc1cccc([N+](=O)[O-])c1)[NH+](C)C	ZINC000012741635	181791565	/nfs/dbraw/zinc/79/15/65/181791565.db2.gz	NKMSPQVYBQQJTR-HNNXBMFYSA-N	1	0	322.409	3.083	50	5		DGBARO
Cc1ccc(OCCCC[NH+]2C[C@H](C)O[C@@H](C)C2)c([N+](=O)[O-])c1	ZINC000020167583	292167378	/nfs/dbraw/zinc/16/73/78/292167378.db2.gz	KXANABLAIKYKPF-GJZGRUSLSA-N	1	0	322.405	3.171	50	5		DGBARO
C[C@@H]1CCC[C@H]([NH+]2CCN(Cc3cccc([N+](=O)[O-])c3)CC2)C1	ZINC000000178698	431139084	/nfs/dbraw/zinc/13/90/84/431139084.db2.gz	RFNWBFJIRUPYHH-WBVHZDCISA-N	1	0	317.433	3.291	50	5		DGBARO
C[N@+]12CCCC[C@@H]1[C@H](COC(=O)Cc1ccccc1)CCC2	ZINC000252441026	432376020	/nfs/dbraw/zinc/37/60/20/432376020.db2.gz	BODPOXCWBVHGKA-NLWGTHIKSA-N	1	0	302.438	3.181	50	5	biogenic	DGBARO
CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC[C@H](O)C[N+]1(C)CCCCC1	ZINC000245232646	432825246	/nfs/dbraw/zinc/82/52/46/432825246.db2.gz	ZFFAWJGVDWLYCL-MKXGPGLRSA-N	1	0	312.518	3.455	50	5	biogenic	DGBARO
Cc1ccc(NC(=O)C[NH2+][C@H]2CCCC[C@@H]2C)cc1[N+](=O)[O-]	ZINC000007777011	190629162	/nfs/dbraw/zinc/62/91/62/190629162.db2.gz	VJHCOJIARXARME-FZMZJTMJSA-N	1	0	305.378	3.010	50	5		DGBARO
C[C@@H]1CCC[C@H]([NH+]2CCN(Cc3ccccc3[N+](=O)[O-])CC2)C1	ZINC000004170506	181081859	/nfs/dbraw/zinc/08/18/59/181081859.db2.gz	OGZVPWVHKLFRRJ-WBVHZDCISA-N	1	0	317.433	3.291	50	5		DGBARO
Cc1cc(C)n(CCC[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)n1	ZINC000089594190	192823476	/nfs/dbraw/zinc/82/34/76/192823476.db2.gz	KHFMZHNHMRFRPX-CQSZACIVSA-N	1	0	302.378	3.149	50	5		DGBARO
CC(C)CC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1)C1CC1	ZINC000040063292	183030489	/nfs/dbraw/zinc/03/04/89/183030489.db2.gz	ZUDBGENFFNKHKJ-UHFFFAOYSA-N	1	0	305.378	3.044	50	5		DGBARO
O=[N+]([O-])c1ccc(Cl)c(CNCC[NH+]2CCCCCC2)c1	ZINC000040767750	183131302	/nfs/dbraw/zinc/13/13/02/183131302.db2.gz	PJYVDNDIPVQGLV-UHFFFAOYSA-N	1	0	311.813	3.214	50	5		DGBARO
O=[N+]([O-])c1cc2c(cc1C[N@@H+]1CCC[C@@H]3CCCC[C@H]31)OCO2	ZINC000584904318	400124433	/nfs/dbraw/zinc/12/44/33/400124433.db2.gz	KOIFVPRELHHJSH-GXTWGEPZSA-N	1	0	318.373	3.478	50	5		DGBARO
O=[N+]([O-])c1cccc(CN2CC[NH+](C[C@H]3CC=CCC3)CC2)c1	ZINC000000178685	431139120	/nfs/dbraw/zinc/13/91/20/431139120.db2.gz	JFEGLLUBAXAQPT-INIZCTEOSA-N	1	0	315.417	3.069	50	5		DGBARO
Cc1cc(NC[C@@H](O)c2ccco2)c2cc([N+](=O)[O-])ccc2[nH+]1	ZINC000096008411	431933997	/nfs/dbraw/zinc/93/39/97/431933997.db2.gz	ZANJDFQIYLHJCV-OAHLLOKOSA-N	1	0	313.313	3.190	50	5		DGBARO
O=[N+]([O-])c1ccc(CC[NH2+][C@@H]2CCO[C@H]2c2ccccc2)cc1	ZINC000191955069	432318529	/nfs/dbraw/zinc/31/85/29/432318529.db2.gz	PWFGQAISFDDHKJ-MSOLQXFVSA-N	1	0	312.369	3.257	50	5		DGBARO
COc1ccc(C(=O)OC[C@H]2CCC[N@+]3(C)CCCC[C@H]23)cc1	ZINC000252462363	432376226	/nfs/dbraw/zinc/37/62/26/432376226.db2.gz	RTMOHIUWLIAADG-POAQFYNOSA-N	1	0	318.437	3.261	50	5	biogenic	DGBARO
CC[N+](CC)(CC)CCCCCN1C(=O)c2ccccc2C1=O	ZINC000015636827	658167939	/nfs/dbraw/zinc/16/79/39/658167939.db2.gz	YGWRVPAUJDAOHJ-UHFFFAOYSA-N	1	0	317.453	3.329	50	5		DGBARO
O=C(OC[C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccc([N+](=O)[O-])cc1	ZINC000004026857	181063534	/nfs/dbraw/zinc/06/35/34/181063534.db2.gz	UMQQXOPMXGZMCZ-GOEBONIOSA-N	1	0	318.373	3.016	50	5	biogenic	DGBARO
CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC[C@H](O)C[N+]1(C)CCCCC1	ZINC000004031911	181065124	/nfs/dbraw/zinc/06/51/24/181065124.db2.gz	ZFFAWJGVDWLYCL-NCXUSEDFSA-N	1	0	312.518	3.455	50	5	biogenic	DGBARO
O=[N+]([O-])c1ccccc1CN1CC[NH+](C[C@H]2CC=CCC2)CC1	ZINC000004724483	181142978	/nfs/dbraw/zinc/14/29/78/181142978.db2.gz	GEDFCCOZVDRIBS-INIZCTEOSA-N	1	0	315.417	3.069	50	5		DGBARO
CC1(C)CC(NC(=O)Nc2ccc([N+](=O)[O-])cc2)CC(C)(C)[NH2+]1	ZINC000004927511	181174387	/nfs/dbraw/zinc/17/43/87/181174387.db2.gz	CDWXRJAUZUERFH-UHFFFAOYSA-N	1	0	320.393	3.026	50	5		DGBARO
CC[C@H]1CCCC[N@@H+]1Cc1cc(OC)c(OC)cc1[N+](=O)[O-]	ZINC000004989066	181185922	/nfs/dbraw/zinc/18/59/22/181185922.db2.gz	DTHBNBYFAKIVGS-ZDUSSCGKSA-N	1	0	308.378	3.377	50	5		DGBARO
C[N+](C)(CCOCc1ccccc1)CCOCc1ccccc1	ZINC000020293454	182203293	/nfs/dbraw/zinc/20/32/93/182203293.db2.gz	QEPLBDNJNVOXCC-UHFFFAOYSA-N	1	0	314.449	3.496	50	5		DGBARO
CSc1ccc(C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1	ZINC000023409311	182360173	/nfs/dbraw/zinc/36/01/73/182360173.db2.gz	GYRWRGMVFYOOCH-INIZCTEOSA-N	1	0	318.398	3.140	50	5		DGBARO
O=[N+]([O-])c1cc(C(F)(F)F)ccc1OCCC1CC[NH2+]CC1	ZINC000042774251	183307155	/nfs/dbraw/zinc/30/71/55/183307155.db2.gz	NSLSFSPHMAIELK-UHFFFAOYSA-N	1	0	318.295	3.382	50	5		DGBARO
CNc1ccc(C[N@H+](C)[C@H](C)c2cccnc2)cc1[N+](=O)[O-]	ZINC000195561956	400925170	/nfs/dbraw/zinc/92/51/70/400925170.db2.gz	FBBMNCVKMZWCLM-GFCCVEGCSA-N	1	0	300.362	3.225	50	5		DGBARO
C[N+]12CCC(CC1)[C@H]([C@@](O)(c1cccs1)c1ccccc1)C2	ZINC000000204035	278573301	/nfs/dbraw/zinc/57/33/01/278573301.db2.gz	RTYCBSXJHMCRFB-NZVUXIEPSA-N	1	0	314.474	3.470	50	5		DGBARO
C[C@H]1CCC[C@@H]([NH+]2CCN(Cc3ccc([N+](=O)[O-])cc3)CC2)C1	ZINC000000178713	431140096	/nfs/dbraw/zinc/14/00/96/431140096.db2.gz	ILOOTNORNYOVEY-MAUKXSAKSA-N	1	0	317.433	3.291	50	5		DGBARO
O=C(OC[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)c1ccc([N+](=O)[O-])cc1	ZINC000000360083	431171334	/nfs/dbraw/zinc/17/13/34/431171334.db2.gz	UMQQXOPMXGZMCZ-HOCLYGCPSA-N	1	0	318.373	3.016	50	5		DGBARO
C[N@@+]12CCCC[C@@H]1[C@H](COC(=O)Cc1ccccc1)CCC2	ZINC000252441027	432376027	/nfs/dbraw/zinc/37/60/27/432376027.db2.gz	BODPOXCWBVHGKA-NSHGMRRFSA-N	1	0	302.438	3.181	50	5	biogenic	DGBARO
COc1ccc(C(=O)OC[C@H]2CCC[N@+]3(C)CCCC[C@@H]23)cc1	ZINC000252462362	432376741	/nfs/dbraw/zinc/37/67/41/432376741.db2.gz	RTMOHIUWLIAADG-KPFFTGBYSA-N	1	0	318.437	3.261	50	5	biogenic	DGBARO
O=[N+]([O-])c1cc(Cl)ccc1N1CCC[C@@H]([NH+]2CCCC2)C1	ZINC000058279912	304799552	/nfs/dbraw/zinc/79/95/52/304799552.db2.gz	DMNPMSVBKAIBLM-CYBMUJFWSA-N	1	0	309.797	3.313	50	5		DGBARO
O=[N+]([O-])c1cc(C(F)(F)F)ccc1OCC[C@@H]1CCC[NH2+]C1	ZINC000042774255	183307330	/nfs/dbraw/zinc/30/73/30/183307330.db2.gz	HGQXWDBYSKZDJA-JTQLQIEISA-N	1	0	318.295	3.382	50	5		DGBARO
O=[N+]([O-])c1ccc(CC[NH2+][C@@H]2CCO[C@@H]2c2ccccc2)cc1	ZINC000191955062	285111276	/nfs/dbraw/zinc/11/12/76/285111276.db2.gz	PWFGQAISFDDHKJ-QZTJIDSGSA-N	1	0	312.369	3.257	50	5		DGBARO
C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CN(C2CC2)C[C@H]1C	ZINC000469161110	533384573	/nfs/dbraw/zinc/38/45/73/533384573.db2.gz	ZMHNUVQDMDGFQC-HMRLOROQSA-N	1	0	315.417	3.070	50	5		DGBARO
Cc1cc(N2CCC[C@@](C)(CO)C2)c2cc([N+](=O)[O-])ccc2[nH+]1	ZINC000097083953	274705156	/nfs/dbraw/zinc/70/51/56/274705156.db2.gz	NTYCMQGSZCOCML-QGZVFWFLSA-N	1	0	315.373	3.050	50	5		DGBARO
C[C@H]1CCC[C@@H]([NH+]2CCN(Cc3cccc([N+](=O)[O-])c3)CC2)C1	ZINC000000178689	431139374	/nfs/dbraw/zinc/13/93/74/431139374.db2.gz	RFNWBFJIRUPYHH-DOTOQJQBSA-N	1	0	317.433	3.291	50	5		DGBARO
CCCCCOc1ccc(CSC2=[NH+]CCN2)cc1[N+](=O)[O-]	ZINC000001827775	431237941	/nfs/dbraw/zinc/23/79/41/431237941.db2.gz	IBZDVSPZSFPNTR-UHFFFAOYSA-N	1	0	323.418	3.356	50	5		DGBARO
C[C@@H]1CCC[C@H]([NH+]2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1	ZINC000004007901	431295960	/nfs/dbraw/zinc/29/59/60/431295960.db2.gz	WUWILQZPXWWLBC-PBHICJAKSA-N	1	0	303.406	3.296	50	5		DGBARO
O=[N+]([O-])c1ccc(NCc2ccccc2C[NH+]2CCCC2)nc1	ZINC000014673088	431593814	/nfs/dbraw/zinc/59/38/14/431593814.db2.gz	XHKNPCUUJZZVFB-UHFFFAOYSA-N	1	0	312.373	3.198	50	5		DGBARO
CNc1ccc(C[NH2+]Cc2cccc3cccnc32)cc1[N+](=O)[O-]	ZINC000089396020	431864473	/nfs/dbraw/zinc/86/44/73/431864473.db2.gz	YRTAROBYBFEEDV-UHFFFAOYSA-N	1	0	322.368	3.475	50	5		DGBARO
O=[N+]([O-])c1ccc(N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)nc1	ZINC000036396222	431839327	/nfs/dbraw/zinc/83/93/27/431839327.db2.gz	ZAFLAACZZZPTMZ-OAHLLOKOSA-N	1	0	312.373	3.066	50	5		DGBARO
CN1CC[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])[C@H]1c1ccccc1	ZINC000252523257	432383660	/nfs/dbraw/zinc/38/36/60/432383660.db2.gz	CEYCKUBSMVORCQ-FUHWJXTLSA-N	1	0	311.385	3.130	50	5		DGBARO
C[N@+](CCO)(CCOc1ccc(Cl)cc1)Cc1ccccc1	ZINC000252629657	432384892	/nfs/dbraw/zinc/38/48/92/432384892.db2.gz	UKZMVMJMPPSLPJ-FQEVSTJZSA-N	1	0	320.840	3.358	50	5		DGBARO
C[NH+](C)CCN(Cc1ccccc1)Cc1ccccc1[N+](=O)[O-]	ZINC000000219887	289148084	/nfs/dbraw/zinc/14/80/84/289148084.db2.gz	YJAFDYNHHXQGKC-UHFFFAOYSA-N	1	0	313.401	3.159	50	5		DGBARO
C[C@H]1CCC[C@@H]([NH+]2CCN(Cc3ccccc3[N+](=O)[O-])CC2)C1	ZINC000004170511	181082141	/nfs/dbraw/zinc/08/21/41/181082141.db2.gz	OGZVPWVHKLFRRJ-DOTOQJQBSA-N	1	0	317.433	3.291	50	5		DGBARO
CC[N+](C)(CC)C[C@H](O)CCCCCCCCC(=O)OC	ZINC000004728820	181143613	/nfs/dbraw/zinc/14/36/13/181143613.db2.gz	RHORJOLXSBZDIR-MRXNPFEDSA-N	1	0	302.479	3.128	50	5		DGBARO
O=[N+]([O-])c1cccc(-c2cn3c([n+]2-c2ccccc2)SCC3)c1	ZINC000015953105	182026370	/nfs/dbraw/zinc/02/63/70/182026370.db2.gz	GWDSLWOFPOJISI-UHFFFAOYSA-N	1	0	324.385	3.446	50	5		DGBARO
O=[N+]([O-])c1cccnc1N[C@@H]1CCC[N@H+](Cc2ccccc2)C1	ZINC000040091220	183033361	/nfs/dbraw/zinc/03/33/61/183033361.db2.gz	FSVQJOLITOLZBM-OAHLLOKOSA-N	1	0	312.373	3.066	50	5		DGBARO
O=[N+]([O-])c1ccc(NCC[NH+]2CCCCC2)c2ncccc12	ZINC000040119605	183037981	/nfs/dbraw/zinc/03/79/81/183037981.db2.gz	BOOHUCPWCPDZPZ-UHFFFAOYSA-N	1	0	300.362	3.041	50	5		DGBARO
CC[C@@H]1CCCC[N@@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2	ZINC000016695541	431613356	/nfs/dbraw/zinc/61/33/56/431613356.db2.gz	CSRYRJDUROFNJW-CQSZACIVSA-N	1	0	306.362	3.226	50	5		DGBARO
CC[NH2+]Cc1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1C	ZINC000095955854	431928294	/nfs/dbraw/zinc/92/82/94/431928294.db2.gz	KOTIHQHREUWCQE-UHFFFAOYSA-N	1	0	313.357	3.265	50	5		DGBARO
Cc1cc(NCC2(C)CC[NH2+]CC2)c2cccc([N+](=O)[O-])c2n1	ZINC000420234756	433128596	/nfs/dbraw/zinc/12/85/96/433128596.db2.gz	XUBPSWHUBQHEBB-UHFFFAOYSA-N	1	0	314.389	3.253	50	5		DGBARO
O=[N+]([O-])c1ccc(/C=C2\CCc3cnc4scc[n+]4c32)cc1	ZINC000005258413	627246860	/nfs/dbraw/zinc/24/68/60/627246860.db2.gz	HBJXNSFYPKRBLH-FMIVXFBMSA-N	1	0	310.358	3.277	50	5		DGBARO
Cc1ccc([C@H](C)[NH2+]CCC(=O)NC2CCCC2)cc1[N+](=O)[O-]	ZINC000095420741	185360443	/nfs/dbraw/zinc/36/04/43/185360443.db2.gz	RPDZKBFVAZUWNK-ZDUSSCGKSA-N	1	0	319.405	3.003	50	5		DGBARO
O=[N+]([O-])c1ccc(N2CCC[N@H+](CC3CCCCC3)CC2)nc1	ZINC000080155735	192007308	/nfs/dbraw/zinc/00/73/08/192007308.db2.gz	QVXSADAHPMHCHE-UHFFFAOYSA-N	1	0	318.421	3.082	50	5		DGBARO
CC1CCC([N@H+](C)Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC1	ZINC000065538644	184363344	/nfs/dbraw/zinc/36/33/44/184363344.db2.gz	OWRKAIKSOZQUAT-UHFFFAOYSA-N	1	0	320.389	3.472	50	5		DGBARO
COc1ccccc1C(=O)OC[C@@H]1CCC[N@@+]2(C)CCCC[C@H]12	ZINC000247633280	228626429	/nfs/dbraw/zinc/62/64/29/228626429.db2.gz	CFJFXNJXCPLJIB-XAUMDUMWSA-N	1	0	318.437	3.261	50	5	biogenic,in-vitro	DGBARO
COc1cc2c(cc1OC)[C@@H]1[C@@H]3CC=CC[C@H]3C[N@@+]1(C)CC2	ZINC000247536844	262517993	/nfs/dbraw/zinc/51/79/93/262517993.db2.gz	ACFBTUAMHMCOQE-IDENBPMYSA-N	1	0	300.422	3.344	50	5		DGBARO
C[N@+]12CCCC[C@@H]1[C@H](CNc1ccccc1[N+](=O)[O-])CCC2	ZINC000248086727	274655045	/nfs/dbraw/zinc/65/50/45/274655045.db2.gz	SDYOTJCUHWNRJA-JNAXZKDPSA-N	1	0	304.414	3.416	50	5	biogenic	DGBARO
CN(C)[C@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccsc1	ZINC000058172413	276865145	/nfs/dbraw/zinc/86/51/45/276865145.db2.gz	PKUDNCIGQBFRDB-OAHLLOKOSA-N	1	0	305.403	3.049	50	5		DGBARO
Cc1cc(N(C)C)cc2sc3cc(=[N+](C)C)cc(C)c-3nc12	ZINC000004520888	431299439	/nfs/dbraw/zinc/29/94/39/431299439.db2.gz	VVEWWLHKADXQQL-UHFFFAOYSA-N	1	0	312.462	3.116	50	5		DGBARO
O=[N+]([O-])c1ccccc1C[NH2+]C[C@@H](O)c1ccc(Cl)cc1	ZINC000050015760	431945642	/nfs/dbraw/zinc/94/56/42/431945642.db2.gz	DNQMHPYONSNIMI-OAHLLOKOSA-N	1	0	306.749	3.071	50	5		DGBARO
CCN(CC)c1ccc2nc3c(cc(N)c4ccccc43)[o+]c2c1	ZINC000100006839	431980131	/nfs/dbraw/zinc/98/01/31/431980131.db2.gz	YQSIDWSTCJNDPD-UHFFFAOYSA-O	1	0	318.400	3.480	50	5	in-vitro	DGBARO
Cc1cc([C@@H]2CCC[N@@H+]2CCc2ccc([N+](=O)[O-])cc2)no1	ZINC000052531158	431956689	/nfs/dbraw/zinc/95/66/89/431956689.db2.gz	AGLVPLKHNNAGMC-INIZCTEOSA-N	1	0	301.346	3.271	50	5		DGBARO
CCOC[C@@H]1CCN(c2cc(C)[nH+]c3ccc([N+](=O)[O-])cc32)C1	ZINC000097083902	431959985	/nfs/dbraw/zinc/95/99/85/431959985.db2.gz	QOHZVLRPDVDJAW-CYBMUJFWSA-N	1	0	315.373	3.314	50	5		DGBARO
Cc1ccc(NC(=O)C[N@@H+](C)C2CCC(C)CC2)cc1[N+](=O)[O-]	ZINC000039978297	183026523	/nfs/dbraw/zinc/02/65/23/183026523.db2.gz	QRRGDXQTXPLUIC-UHFFFAOYSA-N	1	0	319.405	3.352	50	5		DGBARO
CC(C)[NH+]1CCC(N(C)Cc2c(F)cccc2[N+](=O)[O-])CC1	ZINC000069707677	431211763	/nfs/dbraw/zinc/21/17/63/431211763.db2.gz	RHDWOOMQMLKWTC-UHFFFAOYSA-N	1	0	309.385	3.039	50	5		DGBARO
COc1cccc([C@@H](CNc2ccccc2[N+](=O)[O-])[NH+](C)C)c1	ZINC000025280526	431651825	/nfs/dbraw/zinc/65/18/25/431651825.db2.gz	PYLQOIZIFQAIKZ-QGZVFWFLSA-N	1	0	315.373	3.318	50	5		DGBARO
O=[N+]([O-])c1cccnc1NCc1cccc(C[NH+]2CCCC2)c1	ZINC000032825025	431794098	/nfs/dbraw/zinc/79/40/98/431794098.db2.gz	PDWWIFLJTFBSNF-UHFFFAOYSA-N	1	0	312.373	3.198	50	5		DGBARO
COc1ccc(C(=O)OC[C@H]2CCC[N@@+]3(C)CCCC[C@H]23)cc1	ZINC000252462364	432375959	/nfs/dbraw/zinc/37/59/59/432375959.db2.gz	RTMOHIUWLIAADG-YVWKXTFCSA-N	1	0	318.437	3.261	50	5	biogenic	DGBARO
CCC[N@@H+](Cc1cc(OC)c(OC)cc1[N+](=O)[O-])CC1CC1	ZINC000004987557	181185127	/nfs/dbraw/zinc/18/51/27/181185127.db2.gz	BJNIUGUNIMWEMW-UHFFFAOYSA-N	1	0	308.378	3.234	50	5		DGBARO
COc1cc2c(cc1OC)[C@@H]1[C@@H]3CC=CC[C@@H]3C[N@+]1(C)CC2	ZINC000247536850	432240225	/nfs/dbraw/zinc/24/02/25/432240225.db2.gz	ACFBTUAMHMCOQE-IPZZXCBHSA-N	1	0	300.422	3.344	50	5		DGBARO
O=[N+]([O-])c1ccc(CN2CC[NH+](C[C@@H]3CC=CCC3)CC2)cc1	ZINC000000178708	431139239	/nfs/dbraw/zinc/13/92/39/431139239.db2.gz	JQDRKZZHLVIHBU-MRXNPFEDSA-N	1	0	315.417	3.069	50	5		DGBARO
C[C@@H]1CCC[C@@H]([NH+]2CCN(Cc3ccc([N+](=O)[O-])cc3)CC2)C1	ZINC000000178715	431139832	/nfs/dbraw/zinc/13/98/32/431139832.db2.gz	ILOOTNORNYOVEY-CRAIPNDOSA-N	1	0	317.433	3.291	50	5		DGBARO
COc1cccc([C@H](CNc2ccccc2[N+](=O)[O-])[NH+](C)C)c1	ZINC000025280529	431651478	/nfs/dbraw/zinc/65/14/78/431651478.db2.gz	PYLQOIZIFQAIKZ-KRWDZBQOSA-N	1	0	315.373	3.318	50	5		DGBARO
Cc1cc2ncc3c(n2[o+]1)C(=Cc1ccc([N+](=O)[O-])cc1)CC3	ZINC000033733136	431814956	/nfs/dbraw/zinc/81/49/56/431814956.db2.gz	SQCXYYDTFRIEJL-LCYFTJDESA-N	1	0	308.317	3.117	50	5		DGBARO
CN1CC[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])[C@H]1c1ccccc1	ZINC000252523258	432383054	/nfs/dbraw/zinc/38/30/54/432383054.db2.gz	CEYCKUBSMVORCQ-SJLPKXTDSA-N	1	0	311.385	3.130	50	5		DGBARO
O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@@H](O)c1ccsc1)CCC2	ZINC000192886510	432425500	/nfs/dbraw/zinc/42/55/00/432425500.db2.gz	FEHSHWYPVUQOGN-HZPDHXFCSA-N	1	0	318.398	3.357	50	5		DGBARO
CN1CC[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])[C@@H]1c1ccccc1	ZINC000225845584	432700893	/nfs/dbraw/zinc/70/08/93/432700893.db2.gz	CEYCKUBSMVORCQ-AEFFLSMTSA-N	1	0	311.385	3.130	50	5		DGBARO
CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC[C@@H](O)C[N+]1(C)CCCCC1	ZINC000245232645	432825169	/nfs/dbraw/zinc/82/51/69/432825169.db2.gz	ZFFAWJGVDWLYCL-FCGDIQPGSA-N	1	0	312.518	3.455	50	5	biogenic	DGBARO
C[C@@H]([NH2+]CCc1ccccc1F)c1ccc(N)c([N+](=O)[O-])c1	ZINC000239667955	563905815	/nfs/dbraw/zinc/90/58/15/563905815.db2.gz	BSHCXVDYEWCEFB-LLVKDONJSA-N	1	0	303.337	3.209	50	5		DGBARO
O=[N+]([O-])c1ccccc1CN1CC[NH+](C2CCCCC2)CC1	ZINC000004170514	181082073	/nfs/dbraw/zinc/08/20/73/181082073.db2.gz	BLPIRIRAGNRVCV-UHFFFAOYSA-N	1	0	303.406	3.045	50	5		DGBARO
O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@@H]1C[C@H]3OCCC[C@@H]13)CCC2	ZINC000248997861	285145576	/nfs/dbraw/zinc/14/55/76/285145576.db2.gz	PPBACDAOLABGBH-RKTXRCNFSA-N	1	0	302.374	3.129	50	5		DGBARO
O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@@H]1C[C@@H]3OCCC[C@H]13)CCC2	ZINC000248997859	285145729	/nfs/dbraw/zinc/14/57/29/285145729.db2.gz	PPBACDAOLABGBH-DZUCGIPZSA-N	1	0	302.374	3.129	50	5		DGBARO
C[C@H]1CCC[C@H]([NH+]2CCN(Cc3ccc([N+](=O)[O-])cc3)CC2)C1	ZINC000000178718	431139717	/nfs/dbraw/zinc/13/97/17/431139717.db2.gz	ILOOTNORNYOVEY-YJBOKZPZSA-N	1	0	317.433	3.291	50	5		DGBARO
CCN(CC[NH+](CC)CC)Cc1cc([N+](=O)[O-])ccc1Cl	ZINC000002498447	431256034	/nfs/dbraw/zinc/25/60/34/431256034.db2.gz	KRSFNUGHBZTYJF-UHFFFAOYSA-N	1	0	313.829	3.412	50	5		DGBARO
C[C@H]1CCC[C@H]([NH+]2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1	ZINC000004007902	431296615	/nfs/dbraw/zinc/29/66/15/431296615.db2.gz	WUWILQZPXWWLBC-YOEHRIQHSA-N	1	0	303.406	3.296	50	5		DGBARO
CCC(CC)[C@@H](CNC(=O)Nc1ccccc1[N+](=O)[O-])[NH+](C)C	ZINC000032907380	431798474	/nfs/dbraw/zinc/79/84/74/431798474.db2.gz	XKRWZYNFFYWXAC-OAHLLOKOSA-N	1	0	322.409	3.083	50	5		DGBARO
O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCC[C@H]1c1ccc[nH]1	ZINC000044977905	431879903	/nfs/dbraw/zinc/87/99/03/431879903.db2.gz	BKDRQLUOJXSISW-AWEZNQCLSA-N	1	0	301.346	3.139	50	5		DGBARO
O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCC[C@@H]1c1ccc[nH]1	ZINC000044977901	431880328	/nfs/dbraw/zinc/88/03/28/431880328.db2.gz	BKDRQLUOJXSISW-CQSZACIVSA-N	1	0	301.346	3.139	50	5		DGBARO
Cc1cc(NC[C@H](O)c2ccco2)c2cc([N+](=O)[O-])ccc2[nH+]1	ZINC000096008410	431934605	/nfs/dbraw/zinc/93/46/05/431934605.db2.gz	ZANJDFQIYLHJCV-HNNXBMFYSA-N	1	0	313.313	3.190	50	5		DGBARO
Cc1c(CNc2cc(C)[nH+]c3ccc([N+](=O)[O-])cc23)cnn1C	ZINC000097083957	431960132	/nfs/dbraw/zinc/96/01/32/431960132.db2.gz	LRDBKBTXTBLFEC-UHFFFAOYSA-N	1	0	311.345	3.105	50	5		DGBARO
O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C[C@@H](O)c1ccsc1)CCC2	ZINC000192886522	432426070	/nfs/dbraw/zinc/42/60/70/432426070.db2.gz	FEHSHWYPVUQOGN-JKSUJKDBSA-N	1	0	318.398	3.357	50	5		DGBARO
CC[N+](C)(CC)CC[C@H](C)OC(=O)[C@H]1OCCc2ccccc21	ZINC000823478847	717191826	/nfs/dbraw/zinc/19/18/26/717191826.db2.gz	OBFOTZFVHPWCDH-YJBOKZPZSA-N	1	0	320.453	3.109	50	5		DGBARO
O=[N+]([O-])c1ccc(NC[C@H](c2ccco2)[NH+]2CCCCC2)nc1	ZINC000022804090	182336022	/nfs/dbraw/zinc/33/60/22/182336022.db2.gz	YQOPUQROLGXXRV-CQSZACIVSA-N	1	0	316.361	3.222	50	5		DGBARO
CC[NH2+]Cc1cccc(NC(=O)c2csc([N+](=O)[O-])c2)c1	ZINC000037563260	182908290	/nfs/dbraw/zinc/90/82/90/182908290.db2.gz	SNGMCKUIHNRQKO-UHFFFAOYSA-N	1	0	305.359	3.018	50	5		DGBARO
Cc1ccc([C@H](C)[NH2+]C[C@H](O)c2ccsc2)cc1[N+](=O)[O-]	ZINC000095422947	257253214	/nfs/dbraw/zinc/25/32/14/257253214.db2.gz	IGUGHRHMWZZBNO-NHYWBVRUSA-N	1	0	306.387	3.349	50	5		DGBARO
Cc1ccc(OCCCC[NH+]2C[C@@H](C)O[C@H](C)C2)c([N+](=O)[O-])c1	ZINC000020167576	292167389	/nfs/dbraw/zinc/16/73/89/292167389.db2.gz	KXANABLAIKYKPF-HUUCEWRRSA-N	1	0	322.405	3.171	50	5		DGBARO
O=[N+]([O-])c1ccc(Oc2ccc(C3=[NH+]CCN3)cc2)c(Cl)c1	ZINC000000349349	431167487	/nfs/dbraw/zinc/16/74/87/431167487.db2.gz	YBIHFHUNTPJNIM-UHFFFAOYSA-N	1	0	317.732	3.390	50	5		DGBARO
CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC[C@@H](O)C[N+]1(C)CCCCC1	ZINC000011617107	431477617	/nfs/dbraw/zinc/47/76/17/431477617.db2.gz	ZFFAWJGVDWLYCL-HCXYKTFWSA-N	1	0	312.518	3.455	50	5	biogenic	DGBARO
CCOCCC[NH2+]Cc1cc(=O)oc2ccc3ccccc3c12	ZINC000012916992	431534701	/nfs/dbraw/zinc/53/47/01/431534701.db2.gz	XOORHIPVARLWBO-UHFFFAOYSA-N	1	0	311.381	3.462	50	5		DGBARO
CC(C)[C@H]1CCC[N@@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1	ZINC000084456591	431825780	/nfs/dbraw/zinc/82/57/80/431825780.db2.gz	UKQKIQUDHLLIAY-CQSZACIVSA-N	1	0	316.361	3.265	50	5		DGBARO
Cc1nc(N[C@H](C)[C@H](c2ccccc2)[NH+](C)C)ccc1[N+](=O)[O-]	ZINC000225532645	281978748	/nfs/dbraw/zinc/97/87/48/281978748.db2.gz	UHIYKCSWILGEQR-CXAGYDPISA-N	1	0	314.389	3.402	50	5		DGBARO
C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@H]1CN(C2CC2)C[C@H]1C	ZINC000685939869	549810523	/nfs/dbraw/zinc/81/05/23/549810523.db2.gz	ZMHNUVQDMDGFQC-TXAYFTGUSA-N	1	0	315.417	3.070	50	5		DGBARO
CC[N+](C)(CC)CC[C@@H](C)OC(=O)[C@H]1OCCc2ccccc21	ZINC000823478846	717191600	/nfs/dbraw/zinc/19/16/00/717191600.db2.gz	OBFOTZFVHPWCDH-QAPCUYQASA-N	1	0	320.453	3.109	50	5		DGBARO
O=[N+]([O-])c1ccc(CN2CC[NH+](C3CCCCCC3)CC2)cc1	ZINC000004724868	181143303	/nfs/dbraw/zinc/14/33/03/181143303.db2.gz	LCWZJWHFMBKSIL-UHFFFAOYSA-N	1	0	317.433	3.435	50	5		DGBARO
O=C(OC[C@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccc([N+](=O)[O-])cc1	ZINC000005004114	181188814	/nfs/dbraw/zinc/18/88/14/181188814.db2.gz	UMQQXOPMXGZMCZ-GDBMZVCRSA-N	1	0	318.373	3.016	50	5		DGBARO
CC(C)CCC[C@H](C)[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1	ZINC000006906681	181404059	/nfs/dbraw/zinc/40/40/59/181404059.db2.gz	RNFPODJMFZDGSO-GOEBONIOSA-N	1	0	324.421	3.139	50	5		DGBARO
Cc1ccc([N+](=O)[O-])c(OCC[N@@H+]2CCc3ccccc3C2)c1	ZINC000020322522	182206957	/nfs/dbraw/zinc/20/69/57/182206957.db2.gz	AUIABNOHKCXLLO-UHFFFAOYSA-N	1	0	312.369	3.340	50	5		DGBARO
O=C(CC[NH+]1CCCCCCC1)Nc1cccc([N+](=O)[O-])c1	ZINC000041886501	183223919	/nfs/dbraw/zinc/22/39/19/183223919.db2.gz	FIEGZWOXFZENLX-UHFFFAOYSA-N	1	0	305.378	3.190	50	5		DGBARO
Cc1ccc([C@H](C)[NH2+]C[C@@H](O)c2ccsc2)cc1[N+](=O)[O-]	ZINC000095422949	257253279	/nfs/dbraw/zinc/25/32/79/257253279.db2.gz	IGUGHRHMWZZBNO-XHDPSFHLSA-N	1	0	306.387	3.349	50	5		DGBARO
O=[N+]([O-])c1ccc(N2CC[NH+](C3CCCCCC3)CC2)cc1	ZINC000004007870	431293705	/nfs/dbraw/zinc/29/37/05/431293705.db2.gz	PDOWNUYTBHPRLO-UHFFFAOYSA-N	1	0	303.406	3.440	50	5		DGBARO
O=[N+]([O-])c1ccccc1-c1ccc(C[N@H+]2CCC[C@@H](CO)C2)o1	ZINC000004986607	431305455	/nfs/dbraw/zinc/30/54/55/431305455.db2.gz	FJJOKZBVCRHNQS-CYBMUJFWSA-N	1	0	316.357	3.059	50	5		DGBARO
COc1ccccc1[C@H](CNc1ccccc1[N+](=O)[O-])[NH+](C)C	ZINC000025277899	431652272	/nfs/dbraw/zinc/65/22/72/431652272.db2.gz	HVQCPJCEIWLBKH-INIZCTEOSA-N	1	0	315.373	3.318	50	5		DGBARO
Cc1cc(OCCCC[NH+]2C[C@@H](C)O[C@H](C)C2)ccc1[N+](=O)[O-]	ZINC000020168230	431623081	/nfs/dbraw/zinc/62/30/81/431623081.db2.gz	FBRBKTKKCNXOFU-HUUCEWRRSA-N	1	0	322.405	3.171	50	5		DGBARO
O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+][C@H]2CCCC[C@@H]2O)o1	ZINC000078724839	431698905	/nfs/dbraw/zinc/69/89/05/431698905.db2.gz	VNCFERCIMHBZEE-HOCLYGCPSA-N	1	0	316.357	3.248	50	5		DGBARO
C[C@@H](COc1ccc(F)c(F)c1)[NH2+]Cc1ccccc1[N+](=O)[O-]	ZINC000089511947	431868613	/nfs/dbraw/zinc/86/86/13/431868613.db2.gz	YPTBAOIDGXDBLC-NSHDSACASA-N	1	0	322.311	3.430	50	5		DGBARO
Cc1c([C@H](C)[NH2+]CCOc2cccnc2)cccc1[N+](=O)[O-]	ZINC000096477691	431952889	/nfs/dbraw/zinc/95/28/89/431952889.db2.gz	ALKJZCUVKMEVOO-ZDUSSCGKSA-N	1	0	301.346	3.028	50	5		DGBARO
C[N@+]12CCCC[C@@H]1[C@@H](CNc1ccccc1[N+](=O)[O-])CCC2	ZINC000248086731	432269148	/nfs/dbraw/zinc/26/91/48/432269148.db2.gz	SDYOTJCUHWNRJA-WIBUTAKZSA-N	1	0	304.414	3.416	50	5	biogenic	DGBARO
Cc1nc(N[C@@H](C)[C@@H](c2ccccc2)[NH+](C)C)ccc1[N+](=O)[O-]	ZINC000225532615	432694763	/nfs/dbraw/zinc/69/47/63/432694763.db2.gz	UHIYKCSWILGEQR-GUYCJALGSA-N	1	0	314.389	3.402	50	5		DGBARO
O=[N+]([O-])c1ccccc1CN1CC[NH+](C2CCCCCC2)CC1	ZINC000004170516	181081948	/nfs/dbraw/zinc/08/19/48/181081948.db2.gz	UBXWEOCOPBHLCJ-UHFFFAOYSA-N	1	0	317.433	3.435	50	5		DGBARO
CC1CCC([NH+]2CCN(Cc3ccc([N+](=O)[O-])cc3)CC2)CC1	ZINC000004724705	181143113	/nfs/dbraw/zinc/14/31/13/181143113.db2.gz	AIZNLBWKRNFNJD-UHFFFAOYSA-N	1	0	317.433	3.291	50	5		DGBARO
O=[N+]([O-])c1cccc(-[n+]2cn3c(c2-c2ccccc2)SCC3)c1	ZINC000006393154	181337432	/nfs/dbraw/zinc/33/74/32/181337432.db2.gz	IIEQKXIDKJPHEC-UHFFFAOYSA-N	1	0	324.385	3.446	50	5		DGBARO
CC[NH2+]Cc1ccccc1NC(=O)c1cc(C)cc([N+](=O)[O-])c1	ZINC000095971535	193467898	/nfs/dbraw/zinc/46/78/98/193467898.db2.gz	JMIWRZKWNVQBPS-UHFFFAOYSA-N	1	0	313.357	3.265	50	5		DGBARO
CC[NH+](CC)Cc1cccc(NC(=O)c2ccc([N+](=O)[O-])o2)c1	ZINC000024928660	182395223	/nfs/dbraw/zinc/39/52/23/182395223.db2.gz	NDCMRONIARHVNP-UHFFFAOYSA-N	1	0	317.345	3.282	50	5		DGBARO
Cc1nc(N[C@@H](C)[C@H](c2ccccc2)[NH+](C)C)ccc1[N+](=O)[O-]	ZINC000225532585	256596515	/nfs/dbraw/zinc/59/65/15/256596515.db2.gz	UHIYKCSWILGEQR-SUMWQHHRSA-N	1	0	314.389	3.402	50	5		DGBARO
C[C@H](CNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C[NH+]1CCCCC1	ZINC000059402327	401092484	/nfs/dbraw/zinc/09/24/84/401092484.db2.gz	SPXIABDCXGTKAG-GFCCVEGCSA-N	1	0	322.365	3.037	50	5		DGBARO
CC[N+](C)(CC)CCc1c(C)c2ccc(OC)cc2oc1=O	ZINC000002583355	431256760	/nfs/dbraw/zinc/25/67/60/431256760.db2.gz	IWAUXKQGXMTXLR-UHFFFAOYSA-N	1	0	304.410	3.139	50	5		DGBARO
O=[N+]([O-])c1ccc(N2CC[NH+](C[C@H]3CC=CCC3)CC2)cc1	ZINC000004333440	431296097	/nfs/dbraw/zinc/29/60/97/431296097.db2.gz	PWHSZODVBZRUQR-HNNXBMFYSA-N	1	0	301.390	3.073	50	5		DGBARO
O=[N+]([O-])c1ccccc1OCCC[N@@H+]1CCc2ccccc2C1	ZINC000005013270	431305481	/nfs/dbraw/zinc/30/54/81/431305481.db2.gz	WBFMMRJWYYZBCE-UHFFFAOYSA-N	1	0	312.369	3.422	50	5		DGBARO
O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+][C@H]2CCCC[C@H]2O)o1	ZINC000078724842	431700596	/nfs/dbraw/zinc/70/05/96/431700596.db2.gz	VNCFERCIMHBZEE-GOEBONIOSA-N	1	0	316.357	3.248	50	5		DGBARO
C[C@H]([NH2+]CCc1cn2ccccc2n1)c1ccc([N+](=O)[O-])cc1	ZINC000089904920	431884654	/nfs/dbraw/zinc/88/46/54/431884654.db2.gz	KPQWSACZRQXAJR-ZDUSSCGKSA-N	1	0	310.357	3.136	50	5		DGBARO
CCOc1cccc(NC2CC[NH+](C3CC3)CC2)c1[N+](=O)[O-]	ZINC000095941107	431927164	/nfs/dbraw/zinc/92/71/64/431927164.db2.gz	NRABHQIXWFIFRR-UHFFFAOYSA-N	1	0	305.378	3.032	50	5		DGBARO
CC1CC[NH+](C2CCN(Cc3ccc([N+](=O)[O-])cc3)CC2)CC1	ZINC000004803838	181154097	/nfs/dbraw/zinc/15/40/97/181154097.db2.gz	SLXAYXUGCFSKLL-UHFFFAOYSA-N	1	0	317.433	3.291	50	5		DGBARO
CC(C)(C)C1=CC[N@H+](CCNc2ncccc2[N+](=O)[O-])CC1	ZINC000253428712	202885190	/nfs/dbraw/zinc/88/51/90/202885190.db2.gz	KUQGZGNGZSTBKO-UHFFFAOYSA-N	1	0	304.394	3.080	50	5		DGBARO
O=[N+]([O-])c1ccc(NC2CC[NH+](CC3CCCC3)CC2)nc1	ZINC000063282591	184280267	/nfs/dbraw/zinc/28/02/67/184280267.db2.gz	OHMZMWYDRWJOBY-UHFFFAOYSA-N	1	0	304.394	3.056	50	5		DGBARO
CNc1ccc(C[N@H+](C)[C@@H](C)c2cccnc2)cc1[N+](=O)[O-]	ZINC000195561954	400925514	/nfs/dbraw/zinc/92/55/14/400925514.db2.gz	FBBMNCVKMZWCLM-LBPRGKRZSA-N	1	0	300.362	3.225	50	5		DGBARO
c1ccc2cc3c(NCCN4CCOCC4)cc[nH+]c3cc2c1	ZINC000000196200	431144245	/nfs/dbraw/zinc/14/42/45/431144245.db2.gz	PLCWPZZXOZWYJR-UHFFFAOYSA-N	1	0	307.397	3.132	50	5	aggregator	DGBARO
CNc1ccc(C[NH2+][C@H](C)c2ccccc2OC)cc1[N+](=O)[O-]	ZINC000071792490	431286716	/nfs/dbraw/zinc/28/67/16/431286716.db2.gz	RIGBXMZWWLSAQI-GFCCVEGCSA-N	1	0	315.373	3.496	50	5		DGBARO
COc1ccccc1[C@@H](CNc1ccccc1[N+](=O)[O-])[NH+](C)C	ZINC000025277896	431652177	/nfs/dbraw/zinc/65/21/77/431652177.db2.gz	HVQCPJCEIWLBKH-MRXNPFEDSA-N	1	0	315.373	3.318	50	5		DGBARO
CC(C)C[N@H+](Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1)C(C)C	ZINC000032926823	431801254	/nfs/dbraw/zinc/80/12/54/431801254.db2.gz	LBQBYTRVJHGIJA-UHFFFAOYSA-N	1	0	317.393	3.177	50	5		DGBARO
O=[N+]([O-])c1cc(Cl)ccc1N1CCC[C@H]([NH+]2CCCC2)C1	ZINC000058279910	431996004	/nfs/dbraw/zinc/99/60/04/431996004.db2.gz	DMNPMSVBKAIBLM-ZDUSSCGKSA-N	1	0	309.797	3.313	50	5		DGBARO
COC(=O)CCCCCCCC[C@H](O)C[N+]1(C)CCCCC1	ZINC000004828742	181158026	/nfs/dbraw/zinc/15/80/26/181158026.db2.gz	FMKJRBPZIVEGSX-KRWDZBQOSA-N	1	0	314.490	3.272	50	5		DGBARO
CC[C@@H]1CCCC[N@@H+]1Cc1cc(OC)c(OC)cc1[N+](=O)[O-]	ZINC000004989065	181185868	/nfs/dbraw/zinc/18/58/68/181185868.db2.gz	DTHBNBYFAKIVGS-CYBMUJFWSA-N	1	0	308.378	3.377	50	5		DGBARO
CN(C)[C@@H](C[NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccsc1	ZINC000058172338	184084235	/nfs/dbraw/zinc/08/42/35/184084235.db2.gz	PDHVGKRBDJCLEL-HNNXBMFYSA-N	1	0	305.403	3.049	50	5		DGBARO
CN(C)[C@@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccsc1	ZINC000058172412	184084434	/nfs/dbraw/zinc/08/44/34/184084434.db2.gz	PKUDNCIGQBFRDB-HNNXBMFYSA-N	1	0	305.403	3.049	50	5		DGBARO
O=[N+]([O-])c1ccc(-c2noc(C[N@H+](CC3CC3)C3CC3)n2)cc1	ZINC000058428390	184116918	/nfs/dbraw/zinc/11/69/18/184116918.db2.gz	QMKSQNUGUNLPPN-UHFFFAOYSA-N	1	0	314.345	3.019	50	5		DGBARO
CCOc1ccc([N+](=O)[O-])cc1CNC[C@H](CC(C)C)[NH+](C)C	ZINC000060358334	184146627	/nfs/dbraw/zinc/14/66/27/184146627.db2.gz	GZRFSCQMAZJPQJ-INIZCTEOSA-N	1	0	323.437	3.059	50	5		DGBARO
O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@@H]1C[C@@H]3OCCC[C@@H]13)CCC2	ZINC000248997862	285145485	/nfs/dbraw/zinc/14/54/85/285145485.db2.gz	PPBACDAOLABGBH-SVGFKBNWSA-N	1	0	302.374	3.129	50	5		DGBARO
COc1cc(C[NH2+]C2CCCCCC2)c([N+](=O)[O-])cc1OC	ZINC000000263064	431157279	/nfs/dbraw/zinc/15/72/79/431157279.db2.gz	CRPHJWABDOKNBZ-UHFFFAOYSA-N	1	0	308.378	3.424	50	5		DGBARO
CCCC[NH+](CCCC)C[C@H](O)COc1ccccc1[N+](=O)[O-]	ZINC000002990074	431279425	/nfs/dbraw/zinc/27/94/25/431279425.db2.gz	QOZVDRKCMONWFJ-HNNXBMFYSA-N	1	0	324.421	3.237	50	5		DGBARO
O=[N+]([O-])c1ccc(N2CC[NH+](C[C@@H]3CC=CCC3)CC2)cc1	ZINC000004333442	431296600	/nfs/dbraw/zinc/29/66/00/431296600.db2.gz	PWHSZODVBZRUQR-OAHLLOKOSA-N	1	0	301.390	3.073	50	5		DGBARO
O=[N+]([O-])c1ccc(C[n+]2cc(-c3ccccc3)n3c2CCC3)cc1	ZINC000013759000	431570416	/nfs/dbraw/zinc/57/04/16/431570416.db2.gz	RRBZNEHCJBPUPD-UHFFFAOYSA-N	1	0	320.372	3.345	50	5		DGBARO
C[N@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C1CCCC1	ZINC000046503683	431897772	/nfs/dbraw/zinc/89/77/72/431897772.db2.gz	OSZLLCKFKZECOJ-UHFFFAOYSA-N	1	0	302.334	3.019	50	5		DGBARO
CC[C@@H](CO)[N@H+](Cc1ccccc1)Cc1ccc([N+](=O)[O-])cc1	ZINC000096012855	431934047	/nfs/dbraw/zinc/93/40/47/431934047.db2.gz	SVLQVUUONXBFNQ-KRWDZBQOSA-N	1	0	314.385	3.368	50	5		DGBARO
Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](C)[C@@H](C)CC(C)C	ZINC000058159809	281261383	/nfs/dbraw/zinc/26/13/83/281261383.db2.gz	BIWAGWMVJLPMHY-ZDUSSCGKSA-N	1	0	307.394	3.208	50	5		DGBARO
Cc1cc(C[C@@H](C)[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)[nH]n1	ZINC000193029599	432440957	/nfs/dbraw/zinc/44/09/57/432440957.db2.gz	BUDLOAZHVHMIJO-DIFFPNOSSA-N	1	0	314.389	3.225	50	5		DGBARO
Cc1ccc([C@@H](C)[NH2+]CCC(=O)NC2CCCC2)cc1[N+](=O)[O-]	ZINC000095420740	185360320	/nfs/dbraw/zinc/36/03/20/185360320.db2.gz	RPDZKBFVAZUWNK-CYBMUJFWSA-N	1	0	319.405	3.003	50	5		DGBARO
CCC(CC)[C@@H](CNC(=O)Nc1cccc([N+](=O)[O-])c1)[NH+](C)C	ZINC000012741633	181791347	/nfs/dbraw/zinc/79/13/47/181791347.db2.gz	NKMSPQVYBQQJTR-OAHLLOKOSA-N	1	0	322.409	3.083	50	5		DGBARO
CC(=O)c1ccc(N(C)C2CC[NH+](C(C)C)CC2)c([N+](=O)[O-])c1	ZINC000024208143	182376663	/nfs/dbraw/zinc/37/66/63/182376663.db2.gz	GECZTMFGXWYWNB-UHFFFAOYSA-N	1	0	319.405	3.106	50	5		DGBARO
CC1(C)CC(Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC(C)(C)[NH2+]1	ZINC000025072704	256530946	/nfs/dbraw/zinc/53/09/46/256530946.db2.gz	VMPQXRHNFWUIIL-UHFFFAOYSA-N	1	0	322.365	3.224	50	5		DGBARO
O=[N+]([O-])c1cc2c(cc1C[N@@H+]1CCC[C@H]3CCCC[C@@H]31)OCO2	ZINC000023281622	400208831	/nfs/dbraw/zinc/20/88/31/400208831.db2.gz	KOIFVPRELHHJSH-OCCSQVGLSA-N	1	0	318.373	3.478	50	5		DGBARO
O=[N+]([O-])c1ccc(N2CC[NH+](C3CCCC3)CC2)c(Cl)c1	ZINC000012552500	275036260	/nfs/dbraw/zinc/03/62/60/275036260.db2.gz	MAQLMKVYSJAQOA-UHFFFAOYSA-N	1	0	309.797	3.313	50	5		DGBARO
C[N+]1(C)CCc2cc3c(c4c2[C@@H]1Cc1ccc(O)cc1-4)OCO3	ZINC000001280431	431216724	/nfs/dbraw/zinc/21/67/24/431216724.db2.gz	DQWPYNHMMBDKES-HNNXBMFYSA-O	1	0	310.373	3.018	50	5		DGBARO
Cc1nn(C)c(C)c1[C@@H](C)[NH2+]Cc1ccc(Cl)c([N+](=O)[O-])c1	ZINC000078553236	431683114	/nfs/dbraw/zinc/68/31/14/431683114.db2.gz	RRZJQUIISJPRAU-SECBINFHSA-N	1	0	322.796	3.449	50	5		DGBARO
O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+][C@@H]2CCCC[C@H]2O)o1	ZINC000078724841	431699610	/nfs/dbraw/zinc/69/96/10/431699610.db2.gz	VNCFERCIMHBZEE-GDBMZVCRSA-N	1	0	316.357	3.248	50	5		DGBARO
O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@H](O)c1ccsc1)CCC2	ZINC000192886481	432425781	/nfs/dbraw/zinc/42/57/81/432425781.db2.gz	FEHSHWYPVUQOGN-CVEARBPZSA-N	1	0	318.398	3.357	50	5		DGBARO
Cc1cc2nc3cc(C)c(N)cc3[n+](-c3ccccc3)c2cc1N	ZINC000003848519	181049174	/nfs/dbraw/zinc/04/91/74/181049174.db2.gz	WULISCVZERSMML-UHFFFAOYSA-O	1	0	315.400	3.446	50	5	in-vitro	DGBARO
CC(C)[C@@H]1CCC[N@@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1	ZINC000063618904	184285666	/nfs/dbraw/zinc/28/56/66/184285666.db2.gz	UKQKIQUDHLLIAY-AWEZNQCLSA-N	1	0	316.361	3.265	50	5		DGBARO
COc1cc(C[NH2+][C@H]2CCCC[C@@H]2C)c([N+](=O)[O-])cc1OC	ZINC000004685509	400084714	/nfs/dbraw/zinc/08/47/14/400084714.db2.gz	NCSJCDQLPKXYEU-AAEUAGOBSA-N	1	0	308.378	3.280	50	5		DGBARO
COc1ccccc1C(=O)OC[C@@H]1CCC[N@+]2(C)CCCC[C@H]12	ZINC000247633276	432244124	/nfs/dbraw/zinc/24/41/24/432244124.db2.gz	CFJFXNJXCPLJIB-VPWXQRGCSA-N	1	0	318.437	3.261	50	5	biogenic,in-vitro	DGBARO
C[N@@H+]1CCN(Cc2cccc([N+](=O)[O-])c2)[C@@H](c2ccccc2)C1	ZINC000229844576	277109540	/nfs/dbraw/zinc/10/95/40/277109540.db2.gz	AYNPJOQQSDNNEZ-GOSISDBHSA-N	1	0	311.385	3.084	50	5		DGBARO
CNc1ccc(C[NH2+][C@@H](C)c2ccccc2OC)cc1[N+](=O)[O-]	ZINC000071792489	431287606	/nfs/dbraw/zinc/28/76/06/431287606.db2.gz	RIGBXMZWWLSAQI-LBPRGKRZSA-N	1	0	315.373	3.496	50	5		DGBARO
O=c1cc(C[NH2+]C[C@H]2CCCO2)c2c(ccc3ccccc32)o1	ZINC000007987486	431375038	/nfs/dbraw/zinc/37/50/38/431375038.db2.gz	QSSCTYXVPCTLEC-OAHLLOKOSA-N	1	0	309.365	3.215	50	5		DGBARO
C[C@H](COc1ccc(F)c(F)c1)[NH2+]Cc1ccccc1[N+](=O)[O-]	ZINC000089511948	431868798	/nfs/dbraw/zinc/86/87/98/431868798.db2.gz	YPTBAOIDGXDBLC-LLVKDONJSA-N	1	0	322.311	3.430	50	5		DGBARO
Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](CC(C)C)C(C)C	ZINC000058158618	431995778	/nfs/dbraw/zinc/99/57/78/431995778.db2.gz	YEXPLSGIMOOXRY-UHFFFAOYSA-N	1	0	307.394	3.208	50	5		DGBARO
Cc1cc(C[C@H](C)[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)[nH]n1	ZINC000193029610	432440814	/nfs/dbraw/zinc/44/08/14/432440814.db2.gz	BUDLOAZHVHMIJO-GTNSWQLSSA-N	1	0	314.389	3.225	50	5		DGBARO
CN1CC[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])[C@@H]1c1ccccc1	ZINC000225845561	432700647	/nfs/dbraw/zinc/70/06/47/432700647.db2.gz	CEYCKUBSMVORCQ-WMZOPIPTSA-N	1	0	311.385	3.130	50	5		DGBARO
Cc1cc2ncc3c(n2[o+]1)C(=Cc1ccc([N+](=O)[O-])cc1)CC3	ZINC000005258417	627246734	/nfs/dbraw/zinc/24/67/34/627246734.db2.gz	SQCXYYDTFRIEJL-UKTHLTGXSA-N	1	0	308.317	3.117	50	5		DGBARO
O=[N+]([O-])c1cccc(CN2CCC([NH+]3CCCCC3)CC2)c1	ZINC000004986660	181184923	/nfs/dbraw/zinc/18/49/23/181184923.db2.gz	ICGMRTNRTLTYQV-UHFFFAOYSA-N	1	0	303.406	3.045	50	5		DGBARO
O=[N+]([O-])c1ccc2cnn(C[N@H+](C3CC3)C3CCCC3)c2c1	ZINC000032923200	285147855	/nfs/dbraw/zinc/14/78/55/285147855.db2.gz	GYBPBJVNASLCSQ-UHFFFAOYSA-N	1	0	300.362	3.309	50	5		DGBARO
CC(C)CCC[C@H](C)[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1	ZINC000006906676	431324711	/nfs/dbraw/zinc/32/47/11/431324711.db2.gz	RNFPODJMFZDGSO-HOCLYGCPSA-N	1	0	324.421	3.139	50	5		DGBARO
Cc1ccc(NC(=O)C[NH2+][C@H]2CCCC[C@H]2C)cc1[N+](=O)[O-]	ZINC000007777013	431361170	/nfs/dbraw/zinc/36/11/70/431361170.db2.gz	VJHCOJIARXARME-RISCZKNCSA-N	1	0	305.378	3.010	50	5		DGBARO
O=[N+]([O-])c1ccc(NC[C@H](c2ccccc2)[NH+]2CCCC2)nc1	ZINC000012848857	431532547	/nfs/dbraw/zinc/53/25/47/431532547.db2.gz	RMPLRADJVBBNOE-MRXNPFEDSA-N	1	0	312.373	3.239	50	5		DGBARO
O=[N+]([O-])c1ccc(N[C@H]2CCC[N@H+](Cc3ccccc3)C2)nc1	ZINC000036396221	431839689	/nfs/dbraw/zinc/83/96/89/431839689.db2.gz	ZAFLAACZZZPTMZ-HNNXBMFYSA-N	1	0	312.373	3.066	50	5		DGBARO
COc1ccc(C(=O)OC[C@@H]2CCC[N@+]3(C)CCCC[C@H]23)cc1	ZINC000245232247	432825090	/nfs/dbraw/zinc/82/50/90/432825090.db2.gz	RTMOHIUWLIAADG-HQRMLTQVSA-N	1	0	318.437	3.261	50	5		DGBARO
C[NH+](C)CCN(Cc1ccccc1)Cc1ccc([N+](=O)[O-])cc1	ZINC000000234500	289148059	/nfs/dbraw/zinc/14/80/59/289148059.db2.gz	RTRVJEAWGUXYQR-UHFFFAOYSA-N	1	0	313.401	3.159	50	5		DGBARO
C[N@@H+]1CCN(c2ccc(F)cc2[N+](=O)[O-])[C@@H](c2ccccc2)C1	ZINC000229716601	290058116	/nfs/dbraw/zinc/05/81/16/290058116.db2.gz	ARYRLLYWNRONIX-QGZVFWFLSA-N	1	0	315.348	3.227	50	5		DGBARO
COC(=O)CCCCCCCC[C@@H](O)C[N+]1(C)CCCCC1	ZINC000004828741	181158282	/nfs/dbraw/zinc/15/82/82/181158282.db2.gz	FMKJRBPZIVEGSX-QGZVFWFLSA-N	1	0	314.490	3.272	50	5		DGBARO
Cc1cc(NCCN2CCOCC2)c2ccc3ccccc3c2[nH+]1	ZINC000020229057	182199694	/nfs/dbraw/zinc/19/96/94/182199694.db2.gz	NXGXYRFMQIASBS-UHFFFAOYSA-N	1	0	321.424	3.441	50	5		DGBARO
CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CCc1ccccc1	ZINC000020388220	182213809	/nfs/dbraw/zinc/21/38/09/182213809.db2.gz	GMRNMZCWTNASCB-UHFFFAOYSA-N	1	0	300.358	3.326	50	5		DGBARO
COc1ccc(C(=O)OC[C@H]2CCC[N@@+]3(C)CCCC[C@@H]23)cc1	ZINC000252462361	533352786	/nfs/dbraw/zinc/35/27/86/533352786.db2.gz	RTMOHIUWLIAADG-IMFGXOCKSA-N	1	0	318.437	3.261	50	5	biogenic	DGBARO
O=[N+]([O-])c1cccc(CN2CC[NH+](C[C@@H]3CC=CCC3)CC2)c1	ZINC000000178683	431138810	/nfs/dbraw/zinc/13/88/10/431138810.db2.gz	JFEGLLUBAXAQPT-MRXNPFEDSA-N	1	0	315.417	3.069	50	5		DGBARO
O=[N+]([O-])c1cccc(-c2cnc(CC[NH+]3CCCCC3)o2)c1	ZINC000069455945	431189588	/nfs/dbraw/zinc/18/95/88/431189588.db2.gz	NMLOAUHUOGYXGG-UHFFFAOYSA-N	1	0	301.346	3.278	50	5		DGBARO
CC[N+](C)(CC)CCOC(=O)c1cc2cc(COC)ccc2o1	ZINC000001776296	431239588	/nfs/dbraw/zinc/23/95/88/431239588.db2.gz	CNYOAAVCNRZZPM-UHFFFAOYSA-N	1	0	320.409	3.222	50	5		DGBARO
C[C@H]1CCC[C@@H]([NH+]2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1	ZINC000004007904	431296716	/nfs/dbraw/zinc/29/67/16/431296716.db2.gz	WUWILQZPXWWLBC-WMLDXEAASA-N	1	0	303.406	3.296	50	5		DGBARO
CC(C)CCC[C@@H](C)[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1	ZINC000006906661	431324056	/nfs/dbraw/zinc/32/40/56/431324056.db2.gz	RNFPODJMFZDGSO-ZBFHGGJFSA-N	1	0	324.421	3.139	50	5		DGBARO
C[C@@H](Cc1ccccc1)NC(=O)Cc1ccc([N+](C)(C)C)cc1	ZINC000670419695	547753377	/nfs/dbraw/zinc/75/33/77/547753377.db2.gz	SODMRVVDWQXIAM-INIZCTEOSA-O	1	0	311.449	3.173	50	5		DGBARO
Cc1ccc(NC(=O)C[NH2+][C@@H]2CCCC[C@H]2C)cc1[N+](=O)[O-]	ZINC000007777012	190629238	/nfs/dbraw/zinc/62/92/38/190629238.db2.gz	VJHCOJIARXARME-BXUZGUMPSA-N	1	0	305.378	3.010	50	5		DGBARO
CC1CCC([NH+]2CCN(Cc3ccccc3[N+](=O)[O-])CC2)CC1	ZINC000004170515	181081967	/nfs/dbraw/zinc/08/19/67/181081967.db2.gz	PVENCKLVDNSYBW-UHFFFAOYSA-N	1	0	317.433	3.291	50	5		DGBARO
C[C@H](CCc1ccccc1)[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1	ZINC000004811452	181155045	/nfs/dbraw/zinc/15/50/45/181155045.db2.gz	OYQXFOCKMWBHCC-RDTXWAMCSA-N	1	0	314.385	3.239	50	5		DGBARO
C[C@@H](CCc1ccccc1)[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1	ZINC000004811448	181155520	/nfs/dbraw/zinc/15/55/20/181155520.db2.gz	OYQXFOCKMWBHCC-KSSFIOAISA-N	1	0	314.385	3.239	50	5		DGBARO
Cc1cc(C)n(CCC[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)n1	ZINC000089594187	192823006	/nfs/dbraw/zinc/82/30/06/192823006.db2.gz	KHFMZHNHMRFRPX-AWEZNQCLSA-N	1	0	302.378	3.149	50	5		DGBARO
O=[N+]([O-])c1c(NC2CC[NH+](C3CC3)CC2)ccc2ncccc21	ZINC000042109866	183232902	/nfs/dbraw/zinc/23/29/02/183232902.db2.gz	GYRUFQDLYUKSSL-UHFFFAOYSA-N	1	0	312.373	3.182	50	5		DGBARO
O=[N+]([O-])c1cccc(C[NH2+]Cc2ccc(OC(F)F)cc2)c1	ZINC000058007793	184066783	/nfs/dbraw/zinc/06/67/83/184066783.db2.gz	PSSATRQGHRSQQV-UHFFFAOYSA-N	1	0	308.284	3.486	50	5		DGBARO
O=[N+]([O-])c1cnccc1N1CCC(C[NH+]2CCCCCC2)CC1	ZINC000066808780	285187790	/nfs/dbraw/zinc/18/77/90/285187790.db2.gz	HOLQQHTXLAHNHB-UHFFFAOYSA-N	1	0	318.421	3.082	50	5		DGBARO
Cc1cccc(C[NH+]2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c1	ZINC000055543045	134776818	/nfs/dbraw/zinc/77/68/18/134776818.db2.gz	XLDNRTWNJZUNND-UHFFFAOYSA-N	1	0	311.385	3.225	50	5		DGBARO
Cc1nn(C[N@H+](C2CC2)C2CCC(C)CC2)c(C)c1[N+](=O)[O-]	ZINC000170639429	400768645	/nfs/dbraw/zinc/76/86/45/400768645.db2.gz	LBDAWYAJYQMZFM-UHFFFAOYSA-N	1	0	306.410	3.409	50	5		DGBARO
O=[N+]([O-])c1ccc(N2CCC[C@@H]([NH+]3CCCC3)C2)c(Cl)c1	ZINC000048274228	275036132	/nfs/dbraw/zinc/03/61/32/275036132.db2.gz	NKTAWLATXWPPAK-CYBMUJFWSA-N	1	0	309.797	3.313	50	5		DGBARO
O=[N+]([O-])c1ccc(CN2CC[NH+](C3CCCCC3)CC2)cc1	ZINC000000178723	431139742	/nfs/dbraw/zinc/13/97/42/431139742.db2.gz	CFOIMEJNDQNCDL-UHFFFAOYSA-N	1	0	303.406	3.045	50	5		DGBARO
O=[N+]([O-])c1ccccc1CN1CCC([NH+]2CCCCCC2)CC1	ZINC000000317857	431165771	/nfs/dbraw/zinc/16/57/71/431165771.db2.gz	FDCAGZZEHFYTFX-UHFFFAOYSA-N	1	0	317.433	3.435	50	5		DGBARO
C[C@@H](C[N+](C)(C)C)OC(=O)C(c1ccccc1)c1ccccc1	ZINC000000379365	431173064	/nfs/dbraw/zinc/17/30/64/431173064.db2.gz	FMQQCVOCWNPYPL-INIZCTEOSA-N	1	0	312.433	3.456	50	5		DGBARO
CC(C)c1ccc(CNC2CC[NH+](C3CC3)CC2)cc1[N+](=O)[O-]	ZINC000071793375	431287037	/nfs/dbraw/zinc/28/70/37/431287037.db2.gz	NIFRBKNKPUORRW-UHFFFAOYSA-N	1	0	317.433	3.435	50	5		DGBARO
Cc1ccsc1C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1	ZINC000019536655	431619293	/nfs/dbraw/zinc/61/92/93/431619293.db2.gz	WDXYZYWXAJPEGT-UHFFFAOYSA-N	1	0	317.414	3.287	50	5		DGBARO
Cc1c(C[N@@H+]2CCC[C@@H](c3ncc[nH]3)C2)cccc1[N+](=O)[O-]	ZINC000080959127	431780486	/nfs/dbraw/zinc/78/04/86/431780486.db2.gz	JVHCBOAMCFPFCP-CQSZACIVSA-N	1	0	300.362	3.006	50	5		DGBARO
C[N@H+](Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1)C1CCCCC1	ZINC000048340444	431923933	/nfs/dbraw/zinc/92/39/33/431923933.db2.gz	LHOOJMSYJCXHEC-UHFFFAOYSA-N	1	0	315.377	3.075	50	5		DGBARO
C[NH+](C)CCCNc1c2ccccc2nc(Cl)c1[N+](=O)[O-]	ZINC000096193728	431941222	/nfs/dbraw/zinc/94/12/22/431941222.db2.gz	KORLXUQXVCENEO-UHFFFAOYSA-N	1	0	308.769	3.160	50	5		DGBARO
COc1ccc(C(=O)OC[C@@H]2CCC[N@@+]3(C)CCCC[C@H]23)cc1	ZINC000245232248	432825156	/nfs/dbraw/zinc/82/51/56/432825156.db2.gz	RTMOHIUWLIAADG-ILZDJORESA-N	1	0	318.437	3.261	50	5		DGBARO
CC[N+](C)(CC)C[C@@H](O)CCCCCCCCC(=O)OC	ZINC000004728821	181144000	/nfs/dbraw/zinc/14/40/00/181144000.db2.gz	RHORJOLXSBZDIR-INIZCTEOSA-N	1	0	302.479	3.128	50	5		DGBARO
O=[N+]([O-])c1ccc(CN2CCC([NH+]3CCCCCC3)CC2)cc1	ZINC000004955949	181179125	/nfs/dbraw/zinc/17/91/25/181179125.db2.gz	RHMUINAFPFUUFL-UHFFFAOYSA-N	1	0	317.433	3.435	50	5		DGBARO
C[N+](C)(C)CCN(Cc1ccc(Cl)cc1)c1ccccn1	ZINC000020230509	182199231	/nfs/dbraw/zinc/19/92/31/182199231.db2.gz	CCYCJDYRWZROCX-UHFFFAOYSA-N	1	0	304.845	3.448	50	5		DGBARO
C[N@+]12CCCC[C@H]1[C@@H](CNc1ccccc1[N+](=O)[O-])CCC2	ZINC000248086719	228627531	/nfs/dbraw/zinc/62/75/31/228627531.db2.gz	SDYOTJCUHWNRJA-CFLQYTFWSA-N	1	0	304.414	3.416	50	5	biogenic	DGBARO
COc1cc2c(cc1OC)[C@@H]1[C@@H]3CC=CC[C@H]3C[N@+]1(C)CC2	ZINC000247536857	262518016	/nfs/dbraw/zinc/51/80/16/262518016.db2.gz	ACFBTUAMHMCOQE-VZJWBNGJSA-N	1	0	300.422	3.344	50	5		DGBARO
O=[N+]([O-])c1cccc(CN2CC[NH+](C3CCCCC3)CC2)c1	ZINC000000178702	431139155	/nfs/dbraw/zinc/13/91/55/431139155.db2.gz	WKMDVUJITZXPFH-UHFFFAOYSA-N	1	0	303.406	3.045	50	5		DGBARO
O=[N+]([O-])c1ccc(CN2CCC([NH+]3CCCCC3)CC2)cc1	ZINC000000243785	431154280	/nfs/dbraw/zinc/15/42/80/431154280.db2.gz	GXURWRJBLAJNHS-UHFFFAOYSA-N	1	0	303.406	3.045	50	5		DGBARO
Cc1c(C[N@@H+]2CCC[C@H](c3ncc[nH]3)C2)cccc1[N+](=O)[O-]	ZINC000080959126	431780679	/nfs/dbraw/zinc/78/06/79/431780679.db2.gz	JVHCBOAMCFPFCP-AWEZNQCLSA-N	1	0	300.362	3.006	50	5		DGBARO
C[N@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)C(C1CC1)C1CC1	ZINC000050989515	431949597	/nfs/dbraw/zinc/94/95/97/431949597.db2.gz	ZMXGZWPOVJDNMZ-UHFFFAOYSA-N	1	0	318.373	3.082	50	5		DGBARO
C[N@@+](CCO)(CCOc1ccc(Cl)cc1)Cc1ccccc1	ZINC000252629658	432384583	/nfs/dbraw/zinc/38/45/83/432384583.db2.gz	UKZMVMJMPPSLPJ-HXUWFJFHSA-N	1	0	320.840	3.358	50	5		DGBARO
C[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C1CCCCCCC1	ZINC000083862642	545781421	/nfs/dbraw/zinc/78/14/21/545781421.db2.gz	OREDHKDOYVRHOL-UHFFFAOYSA-N	1	0	319.405	3.238	50	5		DGBARO
CCOc1cccc(C[NH2+]CCNc2ccc([N+](=O)[O-])cc2)c1	ZINC000006870582	190625604	/nfs/dbraw/zinc/62/56/04/190625604.db2.gz	WNDOCTZDEOUJOY-UHFFFAOYSA-N	1	0	315.373	3.195	50	5		DGBARO
O=[N+]([O-])c1cccnc1NC1CC[NH+](Cc2ccccc2)CC1	ZINC000004364661	181102886	/nfs/dbraw/zinc/10/28/86/181102886.db2.gz	UIBJMSJDIJXDTQ-UHFFFAOYSA-N	1	0	312.373	3.066	50	5		DGBARO
CC[NH2+]Cc1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2F)c1	ZINC000195073674	201335284	/nfs/dbraw/zinc/33/52/84/201335284.db2.gz	JBBCOLXJAOSLTN-UHFFFAOYSA-N	1	0	317.320	3.096	50	5		DGBARO
O=[N+]([O-])c1cccnc1NC[C@@H](c1ccco1)[NH+]1CCCCC1	ZINC000021363928	182273093	/nfs/dbraw/zinc/27/30/93/182273093.db2.gz	OBFZGFPDNYRLDM-AWEZNQCLSA-N	1	0	316.361	3.222	50	5		DGBARO
Cc1cc(C(=O)Nc2ccccc2C[NH+](C)C)ccc1[N+](=O)[O-]	ZINC000024644528	182385924	/nfs/dbraw/zinc/38/59/24/182385924.db2.gz	GRQBDFYYMZJZAZ-UHFFFAOYSA-N	1	0	313.357	3.217	50	5		DGBARO
O=[N+]([O-])c1ccc(N2CCC[N@H+](Cc3cccs3)CC2)s1	ZINC000064029496	184292081	/nfs/dbraw/zinc/29/20/81/184292081.db2.gz	FDCQCHRXAJCNLN-UHFFFAOYSA-N	1	0	323.443	3.430	50	5		DGBARO
COc1cc(C[N@@H+]2CCC[C@H]3CCCC[C@H]32)cc([N+](=O)[O-])c1[O-]	ZINC000005577956	257242900	/nfs/dbraw/zinc/24/29/00/257242900.db2.gz	JSPMAJLMBMBAHE-ZIAGYGMSSA-N	1	0	320.389	3.464	50	5		DGBARO
C[C@@H]1CCC[C@@H]([NH+]2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1	ZINC000004007903	431296746	/nfs/dbraw/zinc/29/67/46/431296746.db2.gz	WUWILQZPXWWLBC-RHSMWYFYSA-N	1	0	303.406	3.296	50	5		DGBARO
O=[N+]([O-])c1ccc(N2CCN(C/C=C/c3ccccc3)CC2)cc1	ZINC000004980659	431304328	/nfs/dbraw/zinc/30/43/28/431304328.db2.gz	XWUBMXKJHGQLQK-QPJJXVBHSA-N	1	0	323.396	3.430	50	5		DGBARO
CC[C@H]1CCCC[N@@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2	ZINC000016695542	431611865	/nfs/dbraw/zinc/61/18/65/431611865.db2.gz	CSRYRJDUROFNJW-AWEZNQCLSA-N	1	0	306.362	3.226	50	5		DGBARO
OCCN1CC[NH+](Cc2c3ccccc3cc3ccccc32)CC1	ZINC000019633383	431618423	/nfs/dbraw/zinc/61/84/23/431618423.db2.gz	SPDGPTKOTPMZBV-UHFFFAOYSA-N	1	0	320.436	3.103	50	5		DGBARO
C[C@@H](c1ccccc1)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1	ZINC000023674112	431641068	/nfs/dbraw/zinc/64/10/68/431641068.db2.gz	QRCMMKXUUPZZIG-HNNXBMFYSA-N	1	0	311.385	3.478	50	5		DGBARO
O=[N+]([O-])c1ccc(N[C@@H](C[NH+]2CCCC2)c2ccccc2)nc1	ZINC000029526871	431723826	/nfs/dbraw/zinc/72/38/26/431723826.db2.gz	QDYRXBFKUWFQLI-INIZCTEOSA-N	1	0	312.373	3.239	50	5		DGBARO
C[N@@+]12CCCC[C@@H]1[C@H](CNc1ccccc1[N+](=O)[O-])CCC2	ZINC000253389843	432391433	/nfs/dbraw/zinc/39/14/33/432391433.db2.gz	SDYOTJCUHWNRJA-NQYLQCIDSA-N	1	0	304.414	3.416	50	5	biogenic	DGBARO
Cc1ccc(C[NH+]2CCC(c3cc[nH]n3)CC2)cc1[N+](=O)[O-]	ZINC000092810774	185342797	/nfs/dbraw/zinc/34/27/97/185342797.db2.gz	ZZRHBVRHAUYHDE-UHFFFAOYSA-N	1	0	300.362	3.006	50	5		DGBARO
CNc1ccc(C[NH2+]CCc2ccc(F)cc2)cc1[N+](=O)[O-]	ZINC000072278775	191100442	/nfs/dbraw/zinc/10/04/42/191100442.db2.gz	GCFNSFALMHAFFV-UHFFFAOYSA-N	1	0	303.337	3.108	50	5		DGBARO
CC[NH+](CC)CC(C)(C)COC(=O)c1ccc([N+](=O)[O-])cc1	ZINC000096024536	193491464	/nfs/dbraw/zinc/49/14/64/193491464.db2.gz	SPTIETJWCCCJSE-UHFFFAOYSA-N	1	0	308.378	3.120	50	5	in-vitro	DGBARO
O=[N+]([O-])c1ccc(N2CCC[C@H]([NH+]3CCCC3)C2)c(Cl)c1	ZINC000048274226	285124231	/nfs/dbraw/zinc/12/42/31/285124231.db2.gz	NKTAWLATXWPPAK-ZDUSSCGKSA-N	1	0	309.797	3.313	50	5		DGBARO
COc1cc(C[NH2+][C@@H]2CCCC[C@@H]2C)c([N+](=O)[O-])cc1OC	ZINC000004685511	400085039	/nfs/dbraw/zinc/08/50/39/400085039.db2.gz	NCSJCDQLPKXYEU-WCQYABFASA-N	1	0	308.378	3.280	50	5		DGBARO
COc1ccc2[nH]c3c(c2c1)CC[NH2+][C@@H]3c1ccc([N+](=O)[O-])cc1	ZINC000019874466	277940618	/nfs/dbraw/zinc/94/06/18/277940618.db2.gz	WFEYXSMSLILRMA-QGZVFWFLSA-N	1	0	323.352	3.320	50	5		DGBARO
C[C@@H]1CCC[C@@H]([NH+]2CCN(Cc3cccc([N+](=O)[O-])c3)CC2)C1	ZINC000000178692	431139787	/nfs/dbraw/zinc/13/97/87/431139787.db2.gz	RFNWBFJIRUPYHH-NVXWUHKLSA-N	1	0	317.433	3.291	50	5		DGBARO
C[N+]12CCC(CC1)[C@@H]([C@@](O)(c1cccs1)c1ccccc1)C2	ZINC000000204038	431145565	/nfs/dbraw/zinc/14/55/65/431145565.db2.gz	RTYCBSXJHMCRFB-LBCUXPGKSA-N	1	0	314.474	3.470	50	5		DGBARO
O=[N+]([O-])c1ccccc1CN1CCC([NH+]2CCCCC2)CC1	ZINC000000243775	431154586	/nfs/dbraw/zinc/15/45/86/431154586.db2.gz	XJAJWTNANPTVSB-UHFFFAOYSA-N	1	0	303.406	3.045	50	5		DGBARO
O=c1cc(C[NH2+]C[C@@H]2CCCO2)c2c(ccc3ccccc32)o1	ZINC000007987485	431374989	/nfs/dbraw/zinc/37/49/89/431374989.db2.gz	QSSCTYXVPCTLEC-HNNXBMFYSA-N	1	0	309.365	3.215	50	5		DGBARO
O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+][C@@H]2CCCC[C@@H]2O)o1	ZINC000078724837	431700133	/nfs/dbraw/zinc/70/01/33/431700133.db2.gz	VNCFERCIMHBZEE-ZBFHGGJFSA-N	1	0	316.357	3.248	50	5		DGBARO
CNc1ccc(C[NH2+][C@@H]2CCCc3occc32)cc1[N+](=O)[O-]	ZINC000089396003	431864488	/nfs/dbraw/zinc/86/44/88/431864488.db2.gz	SCUXFVBMSSNHSD-CYBMUJFWSA-N	1	0	301.346	3.397	50	5		DGBARO
CC[NH2+]Cc1cccc(NC(=O)c2ccc([N+](=O)[O-])s2)c1	ZINC000036281256	431837075	/nfs/dbraw/zinc/83/70/75/431837075.db2.gz	GRPRQJAKSZLRMZ-UHFFFAOYSA-N	1	0	305.359	3.018	50	5		DGBARO
CCOC[C@H]1CCN(c2cc(C)[nH+]c3ccc([N+](=O)[O-])cc32)C1	ZINC000097083903	431960163	/nfs/dbraw/zinc/96/01/63/431960163.db2.gz	QOHZVLRPDVDJAW-ZDUSSCGKSA-N	1	0	315.373	3.314	50	5		DGBARO
C[NH+]1CCC(NC(=O)c2cc3ccccc3c3cccnc23)CC1	ZINC000054147957	431967823	/nfs/dbraw/zinc/96/78/23/431967823.db2.gz	IFMMUAXZLSPUOU-UHFFFAOYSA-N	1	0	319.408	3.212	50	5		DGBARO
CCOc1ccc([N+](=O)[O-])cc1CNC[C@@H](CC(C)C)[NH+](C)C	ZINC000060358333	431998896	/nfs/dbraw/zinc/99/88/96/431998896.db2.gz	GZRFSCQMAZJPQJ-MRXNPFEDSA-N	1	0	323.437	3.059	50	5		DGBARO
O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C[C@H](O)c1ccsc1)CCC2	ZINC000192886497	432425869	/nfs/dbraw/zinc/42/58/69/432425869.db2.gz	FEHSHWYPVUQOGN-HOTGVXAUSA-N	1	0	318.398	3.357	50	5		DGBARO
O=[N+]([O-])c1cccnc1N1CCC(C[NH+]2CCCCCC2)CC1	ZINC000076721050	545736968	/nfs/dbraw/zinc/73/69/68/545736968.db2.gz	ZMNBQQUYINWZPP-UHFFFAOYSA-N	1	0	318.421	3.082	50	5		DGBARO
C[C@H](Cc1ccccc1)NC(=O)Cc1ccc([N+](C)(C)C)cc1	ZINC000670419696	547753933	/nfs/dbraw/zinc/75/39/33/547753933.db2.gz	SODMRVVDWQXIAM-MRXNPFEDSA-O	1	0	311.449	3.173	50	5		DGBARO
CC[N+](C)(CC)CC[C@@H](C)OC(=O)[C@@H]1OCCc2ccccc21	ZINC000823478844	717192038	/nfs/dbraw/zinc/19/20/38/717192038.db2.gz	OBFOTZFVHPWCDH-CRAIPNDOSA-N	1	0	320.453	3.109	50	5		DGBARO
CCOc1ccc(C(=O)OC2C[C@H]3CCC[C@@H](C2)[N+]3(C)C)cc1	ZINC000000526596	180813464	/nfs/dbraw/zinc/81/34/64/180813464.db2.gz	BHVJFWCIKURJEW-BYICEURKSA-N	1	0	318.437	3.402	50	5	biogenic	DGBARO
CC1CCC([NH+]2CCN(Cc3cccc([N+](=O)[O-])c3)CC2)CC1	ZINC000004170526	181082102	/nfs/dbraw/zinc/08/21/02/181082102.db2.gz	WIGYKFDFEQOAPR-UHFFFAOYSA-N	1	0	317.433	3.291	50	5		DGBARO
C[C@@H](CCc1ccccc1)[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1	ZINC000004811451	181154998	/nfs/dbraw/zinc/15/49/98/181154998.db2.gz	OYQXFOCKMWBHCC-KBXCAEBGSA-N	1	0	314.385	3.239	50	5		DGBARO
CN(C)[C@H](C[NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccsc1	ZINC000058172342	184084189	/nfs/dbraw/zinc/08/41/89/184084189.db2.gz	PDHVGKRBDJCLEL-OAHLLOKOSA-N	1	0	305.403	3.049	50	5		DGBARO
C[C@@H]1CCC[C@H]([NH+]2CCN(Cc3ccc([N+](=O)[O-])cc3)CC2)C1	ZINC000000178719	431140419	/nfs/dbraw/zinc/14/04/19/431140419.db2.gz	ILOOTNORNYOVEY-QAPCUYQASA-N	1	0	317.433	3.291	50	5		DGBARO
CC1CC[NH+](C2CCN(Cc3cccc([N+](=O)[O-])c3)CC2)CC1	ZINC000000315791	431163989	/nfs/dbraw/zinc/16/39/89/431163989.db2.gz	FFBUHCQOQFEBSM-UHFFFAOYSA-N	1	0	317.433	3.291	50	5		DGBARO
Cc1ccc(NC(=O)C[NH2+][C@@H]2CCCC[C@@H]2C)cc1[N+](=O)[O-]	ZINC000007777010	431362289	/nfs/dbraw/zinc/36/22/89/431362289.db2.gz	VJHCOJIARXARME-SMDDNHRTSA-N	1	0	305.378	3.010	50	5		DGBARO
Cc1cc([C@H]2CCC[N@@H+]2CCc2ccc([N+](=O)[O-])cc2)no1	ZINC000052531159	431956563	/nfs/dbraw/zinc/95/65/63/431956563.db2.gz	AGLVPLKHNNAGMC-MRXNPFEDSA-N	1	0	301.346	3.271	50	5		DGBARO
Cc1cc(N2CCC[C@](C)(CO)C2)c2cc([N+](=O)[O-])ccc2[nH+]1	ZINC000097083954	431960444	/nfs/dbraw/zinc/96/04/44/431960444.db2.gz	NTYCMQGSZCOCML-KRWDZBQOSA-N	1	0	315.373	3.050	50	5		DGBARO
O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@@H]1C[C@H]3OCCC[C@H]13)CCC2	ZINC000193331377	323464489	/nfs/dbraw/zinc/46/44/89/323464489.db2.gz	PPBACDAOLABGBH-MWQQHZPXSA-N	1	0	302.374	3.129	50	5		DGBARO
CC[N+](C)(CC)CC[C@H](C)OC(=O)[C@@H]1OCCc2ccccc21	ZINC000823478845	717191641	/nfs/dbraw/zinc/19/16/41/717191641.db2.gz	OBFOTZFVHPWCDH-MAUKXSAKSA-N	1	0	320.453	3.109	50	5		DGBARO
C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CN(C2CC2)C[C@@H]1C	ZINC000469161154	533409930	/nfs/dbraw/zinc/40/99/30/533409930.db2.gz	ZMHNUVQDMDGFQC-LEDHSJFXSA-N	1	0	315.417	3.070	50	5		DGBARO
O=[N+]([O-])c1cc2c(cc1C[N@@H+]1CCC[C@@H]3CCCC[C@@H]31)OCO2	ZINC000023281620	400208853	/nfs/dbraw/zinc/20/88/53/400208853.db2.gz	KOIFVPRELHHJSH-JSGCOSHPSA-N	1	0	318.373	3.478	50	5		DGBARO
C[C@@H](CNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C[NH+]1CCCCC1	ZINC000059402326	401092697	/nfs/dbraw/zinc/09/26/97/401092697.db2.gz	SPXIABDCXGTKAG-LBPRGKRZSA-N	1	0	322.365	3.037	50	5		DGBARO
Cc1cc(OCCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)ccc1[N+](=O)[O-]	ZINC000014083960	431574864	/nfs/dbraw/zinc/57/48/64/431574864.db2.gz	FBRBKTKKCNXOFU-GASCZTMLSA-N	1	0	322.405	3.171	50	5		DGBARO
C/C=C1/C[N@@+]2(C)[C@@H]3Cc4c5ccccc5[nH]c4[C@@H]2C[C@H]1[C@@H]3CO	ZINC000253487462	432398658	/nfs/dbraw/zinc/39/86/58/432398658.db2.gz	KRTATNOTKFNEFT-XNVHBYNZSA-N	1	0	309.433	3.169	50	5		DGBARO
Cc1cc(C[C@@H](C)[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)[nH]n1	ZINC000193029573	432440760	/nfs/dbraw/zinc/44/07/60/432440760.db2.gz	BUDLOAZHVHMIJO-PIGZYNQJSA-N	1	0	314.389	3.225	50	5		DGBARO
C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@H]1CN(C2CC2)C[C@@H]1C	ZINC000685939868	549810398	/nfs/dbraw/zinc/81/03/98/549810398.db2.gz	ZMHNUVQDMDGFQC-SPRDODIZSA-N	1	0	315.417	3.070	50	5		DGBARO
O=[N+]([O-])c1cccc(CN2CC[NH+](C3CCCCCC3)CC2)c1	ZINC000004724563	181142821	/nfs/dbraw/zinc/14/28/21/181142821.db2.gz	YXAXQINPSUKXCW-UHFFFAOYSA-N	1	0	317.433	3.435	50	5		DGBARO
O=[N+]([O-])c1ccccc1CN1CC[NH+](C[C@@H]2CC=CCC2)CC1	ZINC000004724485	181142895	/nfs/dbraw/zinc/14/28/95/181142895.db2.gz	GEDFCCOZVDRIBS-MRXNPFEDSA-N	1	0	315.417	3.069	50	5		DGBARO
Cc1ccc([C@](C)(O)C[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)o1	ZINC000187958126	200183441	/nfs/dbraw/zinc/18/34/41/200183441.db2.gz	SGDCNXHZSFUANN-OAHLLOKOSA-N	1	0	324.764	3.147	50	5		DGBARO
CC(C)CCC[C@@H](C)[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1	ZINC000006906666	181404180	/nfs/dbraw/zinc/40/41/80/181404180.db2.gz	RNFPODJMFZDGSO-GDBMZVCRSA-N	1	0	324.421	3.139	50	5		DGBARO
Cc1csc(C(C)(C)[NH2+]CCOc2ccccc2[N+](=O)[O-])n1	ZINC000096443387	193647890	/nfs/dbraw/zinc/64/78/90/193647890.db2.gz	NBIWITGLVHHFEC-UHFFFAOYSA-N	1	0	321.402	3.263	50	5		DGBARO
O=[N+]([O-])c1ccc(NC2CC[NH+](C3CC3)CC2)c2ncccc12	ZINC000024201339	182376515	/nfs/dbraw/zinc/37/65/15/182376515.db2.gz	PKKVFFRNHNALTK-UHFFFAOYSA-N	1	0	312.373	3.182	50	5		DGBARO
C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CN(C2CC2)C[C@@H]1C	ZINC000469161215	533384797	/nfs/dbraw/zinc/38/47/97/533384797.db2.gz	ZMHNUVQDMDGFQC-YZIUUIQLSA-N	1	0	315.417	3.070	50	5		DGBARO
C[N+]12CCC(CC1)[C@@H](C(O)(c1ccccc1)c1ccccc1)C2	ZINC000001305907	431219529	/nfs/dbraw/zinc/21/95/29/431219529.db2.gz	AFGDQXJPXOHZNF-DHHCDUQHSA-N	1	0	308.445	3.409	50	5		DGBARO
O=[N+]([O-])c1ccccc1/C=C/CN1CCN(c2ccccc2)CC1	ZINC000004981028	431303326	/nfs/dbraw/zinc/30/33/26/431303326.db2.gz	SOFKVGDWTVWCSW-SOFGYWHQSA-N	1	0	323.396	3.430	50	5		DGBARO
C[N@+]12CCCC[C@H]1[C@H](CNc1ccccc1[N+](=O)[O-])CCC2	ZINC000248086723	432269153	/nfs/dbraw/zinc/26/91/53/432269153.db2.gz	SDYOTJCUHWNRJA-GZRFBZBPSA-N	1	0	304.414	3.416	50	5	biogenic	DGBARO
O=[N+]([O-])c1ccc(CC[NH2+][C@H]2CCO[C@@H]2c2ccccc2)cc1	ZINC000191955072	432318808	/nfs/dbraw/zinc/31/88/08/432318808.db2.gz	PWFGQAISFDDHKJ-ZWKOTPCHSA-N	1	0	312.369	3.257	50	5		DGBARO
CC1(C)CC(NC(=O)Nc2cccc([N+](=O)[O-])c2)CC(C)(C)[NH2+]1	ZINC000022474533	182323107	/nfs/dbraw/zinc/32/31/07/182323107.db2.gz	HYRVZATYFVVEJQ-UHFFFAOYSA-N	1	0	320.393	3.026	50	5		DGBARO
O=[N+]([O-])c1ccc(NC[C@@H](c2ccco2)[NH+]2CCCCC2)nc1	ZINC000022804093	182336344	/nfs/dbraw/zinc/33/63/44/182336344.db2.gz	YQOPUQROLGXXRV-AWEZNQCLSA-N	1	0	316.361	3.222	50	5		DGBARO
CC1(C)CC(NC(=O)Nc2ccccc2[N+](=O)[O-])CC(C)(C)[NH2+]1	ZINC000024239993	182377545	/nfs/dbraw/zinc/37/75/45/182377545.db2.gz	CZLFRMCJSAJHSC-UHFFFAOYSA-N	1	0	320.393	3.026	50	5		DGBARO
Cc1nc2ccccc2n1CC[NH2+]Cc1ccccc1[N+](=O)[O-]	ZINC000057338321	184033689	/nfs/dbraw/zinc/03/36/89/184033689.db2.gz	MXJCVAWKLSDIHE-UHFFFAOYSA-N	1	0	310.357	3.043	50	5		DGBARO
Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](C)[C@H](C)CC(C)C	ZINC000058159810	184082261	/nfs/dbraw/zinc/08/22/61/184082261.db2.gz	BIWAGWMVJLPMHY-CYBMUJFWSA-N	1	0	307.394	3.208	50	5		DGBARO
C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CN(C2CC2)C[C@H]1C	ZINC000469160817	533409631	/nfs/dbraw/zinc/40/96/31/533409631.db2.gz	ZMHNUVQDMDGFQC-DJMYYBMESA-N	1	0	315.417	3.070	50	5		DGBARO
O=[N+]([O-])c1cc2c(cc1C[N@@H+]1CCC[C@H]3CCCC[C@H]31)OCO2	ZINC000584904319	400124620	/nfs/dbraw/zinc/12/46/20/400124620.db2.gz	KOIFVPRELHHJSH-TZMCWYRMSA-N	1	0	318.373	3.478	50	5		DGBARO
C/C=C1/C[N@@+]2(C)[C@@H]3Cc4c5ccccc5[nH]c4[C@@H]2C[C@H]1[C@H]3CO	ZINC000253487460	275404052	/nfs/dbraw/zinc/40/40/52/275404052.db2.gz	KRTATNOTKFNEFT-JXBGFOPPSA-N	1	0	309.433	3.169	50	5		DGBARO
O=[N+]([O-])c1ccc(NC[C@@H](c2ccccc2)[NH+]2CCCC2)nc1	ZINC000012848862	431530925	/nfs/dbraw/zinc/53/09/25/431530925.db2.gz	RMPLRADJVBBNOE-INIZCTEOSA-N	1	0	312.373	3.239	50	5		DGBARO
O=C(OC[C@H]1CCC[N@@H+]2CCCC[C@@H]12)c1ccc([N+](=O)[O-])cc1	ZINC000013475861	431556281	/nfs/dbraw/zinc/55/62/81/431556281.db2.gz	UMQQXOPMXGZMCZ-ZBFHGGJFSA-N	1	0	318.373	3.016	50	5		DGBARO
Cc1ccc(C[NH+]2CCN(c3ccc([N+](=O)[O-])cc3)CC2)s1	ZINC000019634359	431620688	/nfs/dbraw/zinc/62/06/88/431620688.db2.gz	KWSSXOJHKMAZNW-UHFFFAOYSA-N	1	0	317.414	3.287	50	5		DGBARO
Cc1cc(N2CCC([C@H](C)O)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1	ZINC000097083869	280546564	/nfs/dbraw/zinc/54/65/64/280546564.db2.gz	BGFFZTXEFQHQDG-LBPRGKRZSA-N	1	0	315.373	3.049	50	5		DGBARO
C[N@@H+]1CCN(Cc2cccc([N+](=O)[O-])c2)[C@H](c2ccccc2)C1	ZINC000089382541	431864168	/nfs/dbraw/zinc/86/41/68/431864168.db2.gz	AYNPJOQQSDNNEZ-SFHVURJKSA-N	1	0	311.385	3.084	50	5		DGBARO
CCCC[N@H+](C)Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-]	ZINC000053778389	431966227	/nfs/dbraw/zinc/96/62/27/431966227.db2.gz	CQRXJZWKCIKRSX-UHFFFAOYSA-N	1	0	318.320	3.437	50	5		DGBARO
Cc1nc(N[C@H](C)[C@@H](c2ccccc2)[NH+](C)C)ccc1[N+](=O)[O-]	ZINC000225532675	432694870	/nfs/dbraw/zinc/69/48/70/432694870.db2.gz	UHIYKCSWILGEQR-DYVFJYSZSA-N	1	0	314.389	3.402	50	5		DGBARO
O=[N+]([O-])c1ccc(C[NH+]2CCC(O)(c3ccccc3)CC2)cc1	ZINC000140204379	186026083	/nfs/dbraw/zinc/02/60/83/186026083.db2.gz	GPUGNKUQDDEOPL-UHFFFAOYSA-N	1	0	312.369	3.078	50	5		DGBARO
Cc1cc(OCCCC[NH+]2C[C@H](C)O[C@@H](C)C2)ccc1[N+](=O)[O-]	ZINC000020168234	182194572	/nfs/dbraw/zinc/19/45/72/182194572.db2.gz	FBRBKTKKCNXOFU-GJZGRUSLSA-N	1	0	322.405	3.171	50	5		DGBARO
CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C[C@@H](O)c1ccccc1	ZINC000040088674	183032982	/nfs/dbraw/zinc/03/29/82/183032982.db2.gz	CTSBVQCWPZYDAF-QGZVFWFLSA-N	1	0	300.358	3.150	50	5		DGBARO
O=[N+]([O-])c1cc(C(F)(F)F)ccc1OCC[C@H]1CCC[NH2+]C1	ZINC000042774259	183307185	/nfs/dbraw/zinc/30/71/85/183307185.db2.gz	HGQXWDBYSKZDJA-SNVBAGLBSA-N	1	0	318.295	3.382	50	5		DGBARO
CC1(C)CC(n2cc3cc([N+](=O)[O-])ccc3n2)CC(C)(C)[NH2+]1	ZINC000004686063	400085067	/nfs/dbraw/zinc/08/50/67/400085067.db2.gz	DBKJVJPEJMDLSR-UHFFFAOYSA-N	1	0	302.378	3.426	50	5		DGBARO
CC[NH+]1CCN(Cc2cc(=O)oc3ccc4ccccc4c23)CC1	ZINC000019371347	276196438	/nfs/dbraw/zinc/19/64/38/276196438.db2.gz	JJZFBWRNZPDTJC-UHFFFAOYSA-N	1	0	322.408	3.084	50	5		DGBARO
C[C@H](C[N+](C)(C)C)OC(=O)C(c1ccccc1)c1ccccc1	ZINC000000379366	431172881	/nfs/dbraw/zinc/17/28/81/431172881.db2.gz	FMQQCVOCWNPYPL-MRXNPFEDSA-N	1	0	312.433	3.456	50	5		DGBARO
CC(C)CC[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])C1CC1	ZINC000027110769	431684265	/nfs/dbraw/zinc/68/42/65/431684265.db2.gz	INWNCEJQHJOYMC-UHFFFAOYSA-N	1	0	305.378	3.044	50	5		DGBARO
C[C@@H]([NH2+]CCc1cn2ccccc2n1)c1ccc([N+](=O)[O-])cc1	ZINC000089904921	431884572	/nfs/dbraw/zinc/88/45/72/431884572.db2.gz	KPQWSACZRQXAJR-CYBMUJFWSA-N	1	0	310.357	3.136	50	5		DGBARO
O=[N+]([O-])c1cccc(OCC[N@@H+]2CCc3sccc3C2)c1	ZINC000046054765	431893099	/nfs/dbraw/zinc/89/30/99/431893099.db2.gz	SOICKSRDBZDQEL-UHFFFAOYSA-N	1	0	304.371	3.093	50	5		DGBARO
Cc1ccc(NC(=O)C[N@@H+](C(C)C)C2CCCC2)cc1[N+](=O)[O-]	ZINC000058392285	431996391	/nfs/dbraw/zinc/99/63/91/431996391.db2.gz	ULOPSPKJQMPJQZ-UHFFFAOYSA-N	1	0	319.405	3.495	50	5		DGBARO
Cn1c(-c2cccc([N+](=O)[O-])c2)c[nH+]c1NCc1cccnc1	ZINC000004676385	181135545	/nfs/dbraw/zinc/13/55/45/181135545.db2.gz	FLSSFOAPRVGXAT-UHFFFAOYSA-N	1	0	309.329	3.002	50	5		DGBARO
COc1cc(C[NH2+][C@H]2CCCC[C@H]2C)c([N+](=O)[O-])cc1OC	ZINC000004685508	400085056	/nfs/dbraw/zinc/08/50/56/400085056.db2.gz	NCSJCDQLPKXYEU-YPMHNXCESA-N	1	0	308.378	3.280	50	5		DGBARO
CC[N+](CC)=c1ccc2nc3ccc(N(C)C)cc3sc-2c1	ZINC000003848522	273642656	/nfs/dbraw/zinc/64/26/56/273642656.db2.gz	ZIWIJZWDGCTSPY-UHFFFAOYSA-N	1	0	312.462	3.279	50	5		DGBARO
C[N+]12CCC(CC1)[C@H]([C@](O)(c1cccs1)c1ccccc1)C2	ZINC000000204028	431145307	/nfs/dbraw/zinc/14/53/07/431145307.db2.gz	RTYCBSXJHMCRFB-ADYZQAKGSA-N	1	0	314.474	3.470	50	5		DGBARO
CCCC[NH+](CCCC)C[C@@H](O)COc1ccccc1[N+](=O)[O-]	ZINC000002990075	431278929	/nfs/dbraw/zinc/27/89/29/431278929.db2.gz	QOZVDRKCMONWFJ-OAHLLOKOSA-N	1	0	324.421	3.237	50	5		DGBARO
O=[N+]([O-])c1ccc(NCc2cccc(C[NH+]3CCCC3)c2)nc1	ZINC000036391967	431838587	/nfs/dbraw/zinc/83/85/87/431838587.db2.gz	NLNWINVULSYGTL-UHFFFAOYSA-N	1	0	312.373	3.198	50	5		DGBARO
O=[N+]([O-])c1ccc(-c2noc(C[NH+]3CCCCCC3)n2)cc1	ZINC000047406555	431909976	/nfs/dbraw/zinc/90/99/76/431909976.db2.gz	VLONGMOXNRFUMR-UHFFFAOYSA-N	1	0	302.334	3.021	50	5		DGBARO
O=[N+]([O-])c1ccccc1C[NH2+]C[C@H](O)c1ccc(Cl)cc1	ZINC000050015759	431945273	/nfs/dbraw/zinc/94/52/73/431945273.db2.gz	DNQMHPYONSNIMI-HNNXBMFYSA-N	1	0	306.749	3.071	50	5		DGBARO
Cc1cc(C[C@H](C)[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)[nH]n1	ZINC000193029588	432440950	/nfs/dbraw/zinc/44/09/50/432440950.db2.gz	BUDLOAZHVHMIJO-APPDUMDISA-N	1	0	314.389	3.225	50	5		DGBARO
C[N@@H+]1CCN(c2ccc(F)cc2[N+](=O)[O-])[C@H](c2ccccc2)C1	ZINC000071924289	290058334	/nfs/dbraw/zinc/05/83/34/290058334.db2.gz	ARYRLLYWNRONIX-KRWDZBQOSA-N	1	0	315.348	3.227	50	5		DGBARO
O=[N+]([O-])c1ccc(OC2CC[NH+](Cc3ccncc3)CC2)cc1	ZINC000174249408	198309923	/nfs/dbraw/zinc/30/99/23/198309923.db2.gz	XISLWZITDUZQLV-UHFFFAOYSA-N	1	0	313.357	3.033	50	5		DGBARO
O=[N+]([O-])c1cccc(CN2CCC([NH+]3CCCCCC3)CC2)c1	ZINC000004703437	181139947	/nfs/dbraw/zinc/13/99/47/181139947.db2.gz	MLSZMPZIQOYRLC-UHFFFAOYSA-N	1	0	317.433	3.435	50	5		DGBARO
C[C@H](CCc1ccccc1)[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1	ZINC000004811450	181155331	/nfs/dbraw/zinc/15/53/31/181155331.db2.gz	OYQXFOCKMWBHCC-KDOFPFPSSA-N	1	0	314.385	3.239	50	5		DGBARO
O=[N+]([O-])c1cccnc1NC[C@H](c1ccco1)[NH+]1CCCCC1	ZINC000021363923	182272830	/nfs/dbraw/zinc/27/28/30/182272830.db2.gz	OBFZGFPDNYRLDM-CQSZACIVSA-N	1	0	316.361	3.222	50	5		DGBARO
Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)c2ccsc2)cc1[N+](=O)[O-]	ZINC000095422948	257252983	/nfs/dbraw/zinc/25/29/83/257252983.db2.gz	IGUGHRHMWZZBNO-IAQYHMDHSA-N	1	0	306.387	3.349	50	5		DGBARO
Cc1ccc([C@@H](C)[NH2+]C[C@H](O)c2ccsc2)cc1[N+](=O)[O-]	ZINC000095422946	257253178	/nfs/dbraw/zinc/25/31/78/257253178.db2.gz	IGUGHRHMWZZBNO-ABAIWWIYSA-N	1	0	306.387	3.349	50	5		DGBARO
COc1cc(C[NH2+][C@@H]2CCCC[C@H]2C)c([N+](=O)[O-])cc1OC	ZINC000004685510	400084627	/nfs/dbraw/zinc/08/46/27/400084627.db2.gz	NCSJCDQLPKXYEU-DGCLKSJQSA-N	1	0	308.378	3.280	50	5		DGBARO
Cc1ccc(OCCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c([N+](=O)[O-])c1	ZINC000016247632	431613707	/nfs/dbraw/zinc/61/37/07/431613707.db2.gz	KXANABLAIKYKPF-GASCZTMLSA-N	1	0	322.405	3.171	50	5		DGBARO
C[NH+]1CCN(c2ccc([N+](=O)[O-])c3cc(C(C)(C)C)[nH]c32)CC1	ZINC000019735970	431618076	/nfs/dbraw/zinc/61/80/76/431618076.db2.gz	BCHWSKUMCHMHDY-UHFFFAOYSA-N	1	0	316.405	3.125	50	5		DGBARO
O=[N+]([O-])c1ccc(N[C@H](C[NH+]2CCCC2)c2ccccc2)nc1	ZINC000029526873	431723034	/nfs/dbraw/zinc/72/30/34/431723034.db2.gz	QDYRXBFKUWFQLI-MRXNPFEDSA-N	1	0	312.373	3.239	50	5		DGBARO
Cc1ccc(O)c(C[NH2+]C(C)(C)c2ccc([N+](=O)[O-])cc2)n1	ZINC000096456856	431951526	/nfs/dbraw/zinc/95/15/26/431951526.db2.gz	JDXXJWOQDDLVSY-UHFFFAOYSA-N	1	0	301.346	3.029	50	5		DGBARO
Cc1ccccc1C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1	ZINC000055543744	431983879	/nfs/dbraw/zinc/98/38/79/431983879.db2.gz	VGRWCUQMFRLEEJ-UHFFFAOYSA-N	1	0	311.385	3.225	50	5		DGBARO