smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[N@@H+]1CC[C@@](O)(CNC(=O)Cn2cnc([N+](=O)[O-])n2)C1	ZINC001323930292	884640125	/nfs/dbraw/zinc/64/01/25/884640125.db2.gz	LBXPDUSFBXIIHB-SNVBAGLBSA-N	1	0	284.276	-1.631	20	5		CABDRO
[NH3+]Cc1nnnn1CCn1cc([N+](=O)[O-])ccc1=O	ZINC001326052058	884763091	/nfs/dbraw/zinc/76/30/91/884763091.db2.gz	KWUINOVBPJLUIR-UHFFFAOYSA-N	1	0	265.233	-1.098	20	5		CABDRO
O=C(Cn1cnc([N+](=O)[O-])n1)NC[C@@H]1C[NH2+]CCO1	ZINC001327961436	884944300	/nfs/dbraw/zinc/94/43/00/884944300.db2.gz	LYKVGFWPNFOUDF-ZETCQYMHSA-N	1	0	270.249	-1.709	20	5		CABDRO
CN(CCN1CC[NH2+]CC1)C(=O)Cn1cnc([N+](=O)[O-])n1	ZINC001328477694	884990219	/nfs/dbraw/zinc/99/02/19/884990219.db2.gz	JWDGQHCAVDMUSD-UHFFFAOYSA-N	1	0	297.319	-1.450	20	5		CABDRO
O=C(Cn1cnc([N+](=O)[O-])n1)N1C[C@H]2C[NH2+]C[C@H]2C1	ZINC001332317657	885399833	/nfs/dbraw/zinc/39/98/33/885399833.db2.gz	HHPGYCFFLQDBLB-OCAPTIKFSA-N	1	0	266.261	-1.136	20	5		CABDRO
C[C@@H](O)[C@@H](CO)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC001345945213	885976684	/nfs/dbraw/zinc/97/66/84/885976684.db2.gz	ZKNBKIQIQVCKTL-FKTZTGRPSA-N	1	0	274.277	-1.517	20	5		CABDRO
C[C@@H]([NH3+])CN(C)C(=O)C(=O)NCCn1cc([N+](=O)[O-])cn1	ZINC001348320187	886072741	/nfs/dbraw/zinc/07/27/41/886072741.db2.gz	MEXMEYQUQRIZCC-MRVPVSSYSA-N	1	0	298.303	-1.287	20	5		CABDRO
COC(=O)[C@@H](O)C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC001349324625	886121941	/nfs/dbraw/zinc/12/19/41/886121941.db2.gz	IMUFOACBSHTTBF-BDAKNGLRSA-N	1	0	288.260	-1.724	20	5		CABDRO
C[C@H]([NH3+])[C@@H]1CN(C(=O)Cn2cnc([N+](=O)[O-])n2)CCO1	ZINC001349390329	886124156	/nfs/dbraw/zinc/12/41/56/886124156.db2.gz	UVSLJINAPQTJDL-YUMQZZPRSA-N	1	0	284.276	-1.239	20	5		CABDRO
Cn1cc([N+](=O)[O-])c(C(=O)NCC[N@H+](C)CCO)n1	ZINC001455783762	892056821	/nfs/dbraw/zinc/05/68/21/892056821.db2.gz	WGZANPWVVSKBEY-UHFFFAOYSA-N	1	0	271.277	-1.018	20	5		CABDRO
C[N@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CCN1CCNC1=O	ZINC001480863367	892553920	/nfs/dbraw/zinc/55/39/20/892553920.db2.gz	WSADGCBWVKCZDM-NXEZZACHSA-N	1	0	299.331	-1.275	20	5		CABDRO
CN(CC[NH2+]Cc1c([N+](=O)[O-])ncn1C)C(=O)CC(N)=O	ZINC001493502471	893399294	/nfs/dbraw/zinc/39/92/94/893399294.db2.gz	DRVKLGWOMWPAEW-UHFFFAOYSA-N	1	0	298.303	-1.248	20	5		CABDRO
NC(=O)C[NH2+]C/C=C/CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001497585489	893627982	/nfs/dbraw/zinc/62/79/82/893627982.db2.gz	WSZWJBGSATWMCL-XLNBVVSQSA-N	1	0	256.262	-1.601	20	5		CABDRO
CN(CCC[NH2+]CC(N)=O)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001498546701	893682505	/nfs/dbraw/zinc/68/25/05/893682505.db2.gz	XRDNIZRKCRFPLA-HTQZYQBOSA-N	1	0	258.278	-1.425	20	5		CABDRO
CNC(=O)C1C[NH+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1	ZINC000184788137	529843951	/nfs/dbraw/zinc/84/39/51/529843951.db2.gz	CXLWJTSGESDELS-JTQLQIEISA-N	1	0	283.288	-1.170	20	5		CABDRO
C[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H]1COC[C@@H]1O	ZINC000352789309	529961998	/nfs/dbraw/zinc/96/19/98/529961998.db2.gz	BTVHHCSHTDZGNC-DCAQKATOSA-N	1	0	286.288	-1.156	20	5		CABDRO
CN1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)[C@H](C[NH3+])C1	ZINC000577850938	372777336	/nfs/dbraw/zinc/77/73/36/372777336.db2.gz	UMEPCSCNPGPDLK-MRVPVSSYSA-N	1	0	283.292	-1.712	20	5		CABDRO
C[NH+](C)C[C@H](CO)NC(=O)Cn1ccc([N+](=O)[O-])n1	ZINC000588867143	372881617	/nfs/dbraw/zinc/88/16/17/372881617.db2.gz	XRYOJYCYKTVOJF-MRVPVSSYSA-N	1	0	271.277	-1.170	20	5		CABDRO
C[NH+](C)C[C@H](CO)NC(=O)Cn1cc([N+](=O)[O-])ccc1=O	ZINC000588864412	372881858	/nfs/dbraw/zinc/88/18/58/372881858.db2.gz	HRRSMBCUAPDCGQ-SECBINFHSA-N	1	0	298.299	-1.205	20	5		CABDRO
O=C(COC1C[NH2+]C1)NCCn1cc([N+](=O)[O-])cn1	ZINC000566191011	373026473	/nfs/dbraw/zinc/02/64/73/373026473.db2.gz	WYZGPCXZYLZFHA-UHFFFAOYSA-N	1	0	269.261	-1.104	20	5		CABDRO
CN1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)[C@@H](C[NH3+])C1	ZINC000563152963	373019017	/nfs/dbraw/zinc/01/90/17/373019017.db2.gz	YEFQRAIFEGPDNT-VIFPVBQESA-N	1	0	282.304	-1.107	20	5		CABDRO
O=C(Cn1cc([N+](=O)[O-])cn1)NC[C@@H]1C[NH2+]CCO1	ZINC000565594216	373020362	/nfs/dbraw/zinc/02/03/62/373020362.db2.gz	RCKBJAXTYBQTKX-VIFPVBQESA-N	1	0	269.261	-1.104	20	5		CABDRO
NC(=O)[C@H](O)C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-]	ZINC000592432323	373072054	/nfs/dbraw/zinc/07/20/54/373072054.db2.gz	SXKMCNIGMNJCJR-PSASIEDQSA-N	1	0	299.283	-1.230	20	5		CABDRO
C[NH+](C)C[C@H](CO)NC(=O)c1c[nH]nc1[N+](=O)[O-]	ZINC000597654550	373152136	/nfs/dbraw/zinc/15/21/36/373152136.db2.gz	TYWYHMWQHSULPX-ZCFIWIBFSA-N	1	0	257.250	-1.030	20	5		CABDRO
Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CCNCC2)n1	ZINC000599095206	373166103	/nfs/dbraw/zinc/16/61/03/373166103.db2.gz	AUVJYYXFRUDLQI-UHFFFAOYSA-N	1	0	275.290	-1.078	20	5		CABDRO
C[C@H]([NH3+])CNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-]	ZINC000599104654	373168901	/nfs/dbraw/zinc/16/89/01/373168901.db2.gz	FYABBCNCDMOTOY-YFKPBYRVSA-N	1	0	263.279	-1.046	20	5		CABDRO
C[NH2+]CCNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-]	ZINC000599098860	373170047	/nfs/dbraw/zinc/17/00/47/373170047.db2.gz	ZQBGSTLCTPCJPL-UHFFFAOYSA-N	1	0	263.279	-1.174	20	5		CABDRO
O=C(Cn1ccc([N+](=O)[O-])n1)N1CCOC2(C[NH2+]C2)C1	ZINC000596578746	373134548	/nfs/dbraw/zinc/13/45/48/373134548.db2.gz	DFROOUJFDLKYET-UHFFFAOYSA-N	1	0	281.272	-1.008	20	5		CABDRO
O=C(Cn1ccc([N+](=O)[O-])n1)NCCN1CC[NH2+]CC1	ZINC000238143668	373739855	/nfs/dbraw/zinc/73/98/55/373739855.db2.gz	DTFIBHQCVGFBKU-UHFFFAOYSA-N	1	0	282.304	-1.187	20	5		CABDRO
C[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H]1COC[C@H]1O	ZINC000285419625	374113277	/nfs/dbraw/zinc/11/32/77/374113277.db2.gz	BTVHHCSHTDZGNC-HBNTYKKESA-N	1	0	286.288	-1.156	20	5		CABDRO
O=C(Cn1cc([N+](=O)[O-])cn1)NCC[N@H+]1CC[C@@H](O)C1	ZINC000600530710	374136214	/nfs/dbraw/zinc/13/62/14/374136214.db2.gz	JELDDLTYJWMMII-SNVBAGLBSA-N	1	0	283.288	-1.026	20	5		CABDRO
CC(=O)NCC[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000037891487	184543405	/nfs/dbraw/zinc/54/34/05/184543405.db2.gz	MLHFZALWPWNJMA-SNVBAGLBSA-N	1	0	271.277	-1.122	20	5		CABDRO
COCC[N@H+](C)CCNC(=O)Cn1cnc([N+](=O)[O-])n1	ZINC000344268420	533315215	/nfs/dbraw/zinc/31/52/15/533315215.db2.gz	YQSLVTJRUZELRA-UHFFFAOYSA-N	1	0	286.292	-1.119	20	5		CABDRO
C[C@@H](O)C[N@H+](CCO)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000351926476	533657079	/nfs/dbraw/zinc/65/70/79/533657079.db2.gz	OOVLCPJFRZSXBK-MWLCHTKSSA-N	1	0	288.304	-1.173	20	5		CABDRO
C[NH+](C)[C@H]1CN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@H]1O	ZINC000519862403	409456474	/nfs/dbraw/zinc/45/64/74/409456474.db2.gz	TZLHERVYARGYPX-WOPDTQHZSA-N	1	0	299.331	-1.241	20	5		CABDRO
CN1CC[NH2+]C[C@H]1CNc1ncc([N+](=O)[O-])c(N)n1	ZINC000420279307	409734834	/nfs/dbraw/zinc/73/48/34/409734834.db2.gz	SLFBIADPTYZUGV-ZETCQYMHSA-N	1	0	267.293	-1.296	20	5		CABDRO
Nc1nc(NCC[N@@H+]2CC[C@H](O)C2)ncc1[N+](=O)[O-]	ZINC000599200082	409746709	/nfs/dbraw/zinc/74/67/09/409746709.db2.gz	VYEJBXOYTBCMSX-ZETCQYMHSA-N	1	0	268.277	-1.133	20	5		CABDRO
CC(CO)(CO)C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000393867063	269088109	/nfs/dbraw/zinc/08/81/09/269088109.db2.gz	VENSNDKQGIKVAG-SNVBAGLBSA-N	1	0	288.304	-1.267	20	5		CABDRO
CN1CC[NH2+]C[C@H]1CNC(=O)c1cc([N+](=O)[O-])n[nH]1	ZINC000566211920	334636178	/nfs/dbraw/zinc/63/61/78/334636178.db2.gz	OKWSNGYMLHOYOJ-ZETCQYMHSA-N	1	0	268.277	-1.049	20	5		CABDRO
CN1C[C@H]([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1=O	ZINC000380688524	336017585	/nfs/dbraw/zinc/01/75/85/336017585.db2.gz	LKKWANCHMRPRMQ-PSASIEDQSA-N	1	0	283.288	-1.028	20	5		CABDRO
CN(C)C[C@H](O)C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000717338652	782136757	/nfs/dbraw/zinc/13/67/57/782136757.db2.gz	HDBQFRUIQUGMCV-MNOVXSKESA-N	1	0	287.320	-1.336	20	5		CABDRO
[NH3+]C[C@H]1CN(C(=O)Cn2ccc([N+](=O)[O-])n2)CCO1	ZINC000358541255	527240703	/nfs/dbraw/zinc/24/07/03/527240703.db2.gz	MKKHANKVIMIQKV-QMMMGPOBSA-N	1	0	269.261	-1.023	20	5		CABDRO
C[C@@H](C[NH3+])NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-]	ZINC000858611949	582240399	/nfs/dbraw/zinc/24/03/99/582240399.db2.gz	PHEBTVVLAVFMOE-YFKPBYRVSA-N	1	0	263.279	-1.046	20	5		CABDRO
O=C(N[C@@H]1[C@H]2C[N@@H+](CCO)C[C@H]21)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001025778565	656068255	/nfs/dbraw/zinc/06/82/55/656068255.db2.gz	UWSMRMMZOSKPJN-SPFKKGSWSA-N	1	0	255.274	-1.310	20	5		CABDRO
NC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1	ZINC001020139108	657290603	/nfs/dbraw/zinc/29/06/03/657290603.db2.gz	QYBBAPVOFSAJPQ-WCTZXXKLSA-N	1	0	256.262	-1.626	20	5		CABDRO
Cn1cc([N+](=O)[O-])c(C(=O)N[C@H](CO)C[NH+](C)C)n1	ZINC001118761966	779586355	/nfs/dbraw/zinc/58/63/55/779586355.db2.gz	ADDITOHWVYMWID-ZETCQYMHSA-N	1	0	271.277	-1.019	20	5		CABDRO
Cn1cc([N+](=O)[O-])c(C(=O)N[C@@H](CO)C[NH+](C)C)n1	ZINC001118761963	779586382	/nfs/dbraw/zinc/58/63/82/779586382.db2.gz	ADDITOHWVYMWID-SSDOTTSWSA-N	1	0	271.277	-1.019	20	5		CABDRO
CN(CC[NH3+])S(=O)(=O)c1nn(C)cc1[N+](=O)[O-]	ZINC001118808591	779588794	/nfs/dbraw/zinc/58/87/94/779588794.db2.gz	SUSSLWDAVXKYLJ-UHFFFAOYSA-N	1	0	263.279	-1.093	20	5		CABDRO
C[N@@H+](CC(N)=O)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC001116150883	782888090	/nfs/dbraw/zinc/88/80/90/782888090.db2.gz	ZSVTVQGEJLEKPO-MRVPVSSYSA-N	1	0	257.250	-1.431	20	5		CABDRO
C[N@@H+](CC(N)=O)C[C@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC001116150884	782888590	/nfs/dbraw/zinc/88/85/90/782888590.db2.gz	ZSVTVQGEJLEKPO-QMMMGPOBSA-N	1	0	257.250	-1.431	20	5		CABDRO
NC(=O)c1nc(-n2nnc(CC[NH3+])n2)ccc1[N+](=O)[O-]	ZINC001167788267	775359495	/nfs/dbraw/zinc/35/94/95/775359495.db2.gz	VGGAOQNUQYRZDF-UHFFFAOYSA-N	1	0	278.232	-1.434	20	5		CABDRO
COc1ncc([N+](=O)[O-])c(-n2nnc(CC[NH3+])n2)n1	ZINC001167791040	775365211	/nfs/dbraw/zinc/36/52/11/775365211.db2.gz	IRPGQMZAVOWOFF-UHFFFAOYSA-N	1	0	266.221	-1.130	20	5		CABDRO
CCN(C)C(=O)C[NH2+]CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001126932097	775730884	/nfs/dbraw/zinc/73/08/84/775730884.db2.gz	IHTWODJZRZQJIA-RKDXNWHRSA-N	1	0	272.305	-1.164	20	5		CABDRO
Cn1nncc1C[NH2+]CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001126932210	775731288	/nfs/dbraw/zinc/73/12/88/775731288.db2.gz	MITTXCFKFLCCFD-RKDXNWHRSA-N	1	0	268.277	-1.314	20	5		CABDRO
CN(C(=O)C[NH2+]CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CC1	ZINC001126932087	775731361	/nfs/dbraw/zinc/73/13/61/775731361.db2.gz	HQXBPBXYDPALMW-NXEZZACHSA-N	1	0	284.316	-1.022	20	5		CABDRO
Cn1nnnc1CNCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001126931894	775732281	/nfs/dbraw/zinc/73/22/81/775732281.db2.gz	DQDAGOVGECQUKH-RNFRBKRXSA-N	1	0	269.265	-1.919	20	5		CABDRO
O=C1C[C@@H]([NH2+]CC[N+](=O)[O-])CN1CCN1CCOCC1	ZINC001120582237	775880828	/nfs/dbraw/zinc/88/08/28/775880828.db2.gz	GQIHJPUDHWWBAU-LLVKDONJSA-N	1	0	286.332	-1.214	20	5		CABDRO
NC(=O)c1cc([N+](=O)[O-])cnc1N(CC[NH3+])CCO	ZINC001163827324	776303199	/nfs/dbraw/zinc/30/31/99/776303199.db2.gz	GGEXKEVWMFMTIM-UHFFFAOYSA-N	1	0	269.261	-1.154	20	5		CABDRO
NC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1	ZINC001086363493	776507945	/nfs/dbraw/zinc/50/79/45/776507945.db2.gz	XKOFDXYRRRMVFP-FNCVBFRFSA-N	1	0	270.289	-1.379	20	5		CABDRO
NC(=O)CNC(=O)C[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1	ZINC001169001976	776519794	/nfs/dbraw/zinc/51/97/94/776519794.db2.gz	ITFBEZOSWHSMEO-YUMQZZPRSA-N	1	0	258.278	-1.377	20	5		CABDRO
NC(=O)[C@H](CO)Nc1ncnc(C2C[NH2+]C2)c1[N+](=O)[O-]	ZINC001169328251	776526071	/nfs/dbraw/zinc/52/60/71/776526071.db2.gz	PGPDATKRKLPZBZ-LURJTMIESA-N	1	0	282.260	-1.670	20	5		CABDRO
C[N@H+](CCO)CCNC(=O)Cn1cc([N+](=O)[O-])ccc1=O	ZINC001303625819	778140822	/nfs/dbraw/zinc/14/08/22/778140822.db2.gz	IAFASYAOWGBVAN-UHFFFAOYSA-N	1	0	298.299	-1.203	20	5		CABDRO
O=C(Cn1cnc([N+](=O)[O-])n1)N1CC([NH2+][C@@H]2CCOC2)C1	ZINC001304083527	778143277	/nfs/dbraw/zinc/14/32/77/778143277.db2.gz	FIDCGVBFJICAEM-MRVPVSSYSA-N	1	0	296.287	-1.224	20	5		CABDRO
O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]CCN2CC[C@H](O)C2)c1	ZINC001118900281	779595321	/nfs/dbraw/zinc/59/53/21/779595321.db2.gz	LHEKVPBMJCOTEQ-NWDGAFQWSA-N	1	0	299.331	-1.192	20	5		CABDRO
O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]CCN2CC[C@H](O)C2)c1	ZINC001118900282	779595726	/nfs/dbraw/zinc/59/57/26/779595726.db2.gz	LHEKVPBMJCOTEQ-RYUDHWBXSA-N	1	0	299.331	-1.192	20	5		CABDRO
O=C(Cn1cnc([N+](=O)[O-])n1)NCC[N@H+]1CC[C@H](O)C1	ZINC001118904625	779595745	/nfs/dbraw/zinc/59/57/45/779595745.db2.gz	IIVSMAGBEJXESD-QMMMGPOBSA-N	1	0	284.276	-1.631	20	5		CABDRO
O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]CCN2CC[C@@H](O)C2)c1	ZINC001118900280	779595961	/nfs/dbraw/zinc/59/59/61/779595961.db2.gz	LHEKVPBMJCOTEQ-NEPJUHHUSA-N	1	0	299.331	-1.192	20	5		CABDRO
CC(=O)NCC(=O)N1CCCN(CC[N+](=O)[O-])CC1	ZINC001119897768	779628070	/nfs/dbraw/zinc/62/80/70/779628070.db2.gz	DUPBCTLHMRPIPM-UHFFFAOYSA-N	1	0	272.305	-1.067	20	5		CABDRO
C[N@H+](CCO)CCNC(=O)Cn1ccc([N+](=O)[O-])n1	ZINC001155244940	779871434	/nfs/dbraw/zinc/87/14/34/779871434.db2.gz	RDSXJWGYHMQHFN-UHFFFAOYSA-N	1	0	271.277	-1.168	20	5		CABDRO
COc1nc(-n2nnc(CC[NH3+])n2)nc(OC)c1[N+](=O)[O-]	ZINC001156984166	779893152	/nfs/dbraw/zinc/89/31/52/779893152.db2.gz	DLYOSKQYWOCRNS-UHFFFAOYSA-N	1	0	296.247	-1.121	20	5		CABDRO
Cn1nnnc1C[NH2+]CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001157761694	779912123	/nfs/dbraw/zinc/91/21/23/779912123.db2.gz	YAFVOASHNVYSRV-HTQZYQBOSA-N	1	0	283.292	-1.529	20	5		CABDRO
O=C(NCCC[NH2+]CCOCCO)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001157767177	779912579	/nfs/dbraw/zinc/91/25/79/779912579.db2.gz	IPNFCEGKNVJOTH-NXEZZACHSA-N	1	0	275.305	-1.244	20	5		CABDRO
CN(C)C(=O)C[NH2+]CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001157767457	779913390	/nfs/dbraw/zinc/91/33/90/779913390.db2.gz	NGXREZIEDUZCDN-RKDXNWHRSA-N	1	0	272.305	-1.164	20	5		CABDRO
COc1ncnc(-n2nnnc2C[NH3+])c1[N+](=O)[O-]	ZINC001158075120	779926255	/nfs/dbraw/zinc/92/62/55/779926255.db2.gz	SOWWIBBUODIEHV-UHFFFAOYSA-N	1	0	252.194	-1.172	20	5		CABDRO
NC(=O)[C@H](CO)Nc1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1	ZINC001158451259	779936181	/nfs/dbraw/zinc/93/61/81/779936181.db2.gz	IFESBMOPBYGTTH-LURJTMIESA-N	1	0	282.260	-1.670	20	5		CABDRO
O=[N+]([O-])c1cnc(N2C[C@H](O)[C@@H](CO)C2)nc1C1C[NH2+]C1	ZINC001164553352	780075009	/nfs/dbraw/zinc/07/50/09/780075009.db2.gz	YOIHHUHKPJHNNS-SCZZXKLOSA-N	1	0	295.299	-1.139	20	5		CABDRO
Nc1cc(N2CCNC(=O)C23C[NH2+]C3)ncc1[N+](=O)[O-]	ZINC001165297922	780078279	/nfs/dbraw/zinc/07/82/79/780078279.db2.gz	KYVQWNIGXWNMDW-UHFFFAOYSA-N	1	0	278.272	-1.150	20	5		CABDRO
Cc1ncc([N+](=O)[O-])c(N2CCNC(=O)C23C[NH2+]C3)n1	ZINC001165298238	780078369	/nfs/dbraw/zinc/07/83/69/780078369.db2.gz	LNSQPCHWPFYOGY-UHFFFAOYSA-N	1	0	278.272	-1.029	20	5		CABDRO
COc1ncnc(N2CCNC(=O)C23C[NH2+]C3)c1[N+](=O)[O-]	ZINC001165298348	780078494	/nfs/dbraw/zinc/07/84/94/780078494.db2.gz	PYIIGAXMPILQBV-UHFFFAOYSA-N	1	0	294.271	-1.328	20	5		CABDRO
C[N@@H+]1CC[C@H](OCC(=O)N2CC([N+](=O)[O-])([N+](=O)[O-])C2)C1	ZINC001224795435	780435160	/nfs/dbraw/zinc/43/51/60/780435160.db2.gz	AOUXSEJANZPMDG-QMMMGPOBSA-N	1	0	288.260	-1.201	20	5		CABDRO
C[N+](C)(C)C[C@H](O)CC(=O)Oc1nnccc1C(N)=O	ZINC001230909388	780463387	/nfs/dbraw/zinc/46/33/87/780463387.db2.gz	BWMFAZKZPIMGPM-MRVPVSSYSA-O	1	0	283.308	-1.062	20	5		CABDRO
Cn1c(=O)cc(OC(=O)C[C@@H](O)C[N+](C)(C)C)[nH]c1=O	ZINC001234502319	780485897	/nfs/dbraw/zinc/48/58/97/780485897.db2.gz	YSHOPGARJNAHQF-MRVPVSSYSA-O	1	0	286.308	-1.152	20	5		CABDRO
O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2C[C@@H](O)[C@@H](O)C2)c1	ZINC001253346641	780591731	/nfs/dbraw/zinc/59/17/31/780591731.db2.gz	RRRATFIZDQICTB-LPEHRKFASA-N	1	0	272.261	-1.810	20	5		CABDRO
C[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H]1CCNC1=O	ZINC001253712530	780594879	/nfs/dbraw/zinc/59/48/79/780594879.db2.gz	LORYHYWDRRQEMV-NXEZZACHSA-N	1	0	283.288	-1.028	20	5		CABDRO
C[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H]1CCNC1=O	ZINC001253712539	780594947	/nfs/dbraw/zinc/59/49/47/780594947.db2.gz	LORYHYWDRRQEMV-VHSXEESVSA-N	1	0	283.288	-1.028	20	5		CABDRO
[NH3+]C[C@H]1CN(C(=O)Cn2cnc([N+](=O)[O-])n2)CCO1	ZINC001261495015	780667443	/nfs/dbraw/zinc/66/74/43/780667443.db2.gz	NXTLRTMFYIMJGI-ZETCQYMHSA-N	1	0	270.249	-1.628	20	5		CABDRO
CN1CC[N@H+](C)C[C@@H]1CNC(=O)Cn1cnc([N+](=O)[O-])n1	ZINC001146376923	781483562	/nfs/dbraw/zinc/48/35/62/781483562.db2.gz	QZSYJUPFVUTEID-VIFPVBQESA-N	1	0	297.319	-1.452	20	5		CABDRO
CNC(=O)C[N@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC001322159065	884542034	/nfs/dbraw/zinc/54/20/34/884542034.db2.gz	NYQXLOTZSUFKHH-VIFPVBQESA-N	1	0	271.277	-1.170	20	5		CABDRO
Cn1ncc([N+](=O)[O-])c1C(=O)N[C@H](CO)C[NH+](C)C	ZINC001328702511	885015170	/nfs/dbraw/zinc/01/51/70/885015170.db2.gz	KNQIYHVETKLXAZ-ZETCQYMHSA-N	1	0	271.277	-1.019	20	5		CABDRO
NC(=O)[C@@H]1CN(c2cc[nH]c(=O)c2[N+](=O)[O-])CC[NH2+]1	ZINC001330621844	885215828	/nfs/dbraw/zinc/21/58/28/885215828.db2.gz	NELAUMHGARPTMJ-LURJTMIESA-N	1	0	267.245	-1.041	20	5		CABDRO
NC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1	ZINC001022063958	884014779	/nfs/dbraw/zinc/01/47/79/884014779.db2.gz	QYBBAPVOFSAJPQ-ULAWRXDQSA-N	1	0	256.262	-1.626	20	5		CABDRO
C[N@H+](CCC(N)=O)C[C@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC001322444094	884553213	/nfs/dbraw/zinc/55/32/13/884553213.db2.gz	ADDBPWCYZCCAEK-VIFPVBQESA-N	1	0	271.277	-1.041	20	5		CABDRO
CN(C)C(=O)C[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1	ZINC001323438249	884618807	/nfs/dbraw/zinc/61/88/07/884618807.db2.gz	ZCVYCELNLZOFDC-RKDXNWHRSA-N	1	0	284.316	-1.022	20	5		CABDRO
C[N@@H+]1CC[C@](O)(CNC(=O)Cn2cnc([N+](=O)[O-])n2)C1	ZINC001323930284	884641220	/nfs/dbraw/zinc/64/12/20/884641220.db2.gz	LBXPDUSFBXIIHB-JTQLQIEISA-N	1	0	284.276	-1.631	20	5		CABDRO
NC(=O)c1cc([N+](=O)[O-])cn(C[C@@H]2C[NH2+]CCO2)c1=O	ZINC001327386989	884883527	/nfs/dbraw/zinc/88/35/27/884883527.db2.gz	OESMMCWEHOQHFD-QMMMGPOBSA-N	1	0	282.256	-1.156	20	5		CABDRO
C[NH2+]C[C@H](C)NC(=O)C(=O)NCCn1cc([N+](=O)[O-])cn1	ZINC001327835799	884932634	/nfs/dbraw/zinc/93/26/34/884932634.db2.gz	VQLWCLDBJKEGOB-QMMMGPOBSA-N	1	0	298.303	-1.368	20	5		CABDRO
O=C(Cn1cnc([N+](=O)[O-])n1)NC[C@H]1C[NH2+]CCO1	ZINC001327961433	884941778	/nfs/dbraw/zinc/94/17/78/884941778.db2.gz	LYKVGFWPNFOUDF-SSDOTTSWSA-N	1	0	270.249	-1.709	20	5		CABDRO
Cn1ncc([N+](=O)[O-])c1C(=O)N[C@@H](CO)C[NH+](C)C	ZINC001328702498	885016556	/nfs/dbraw/zinc/01/65/56/885016556.db2.gz	KNQIYHVETKLXAZ-SSDOTTSWSA-N	1	0	271.277	-1.019	20	5		CABDRO
O=C(Cn1cnc([N+](=O)[O-])n1)NCC[N@H+]1CC[C@@H](O)C1	ZINC001331722384	885321732	/nfs/dbraw/zinc/32/17/32/885321732.db2.gz	IIVSMAGBEJXESD-MRVPVSSYSA-N	1	0	284.276	-1.631	20	5		CABDRO
C[C@@H]([NH3+])[C@@H]1CN(C(=O)Cn2cnc([N+](=O)[O-])n2)CCO1	ZINC001349390327	886125673	/nfs/dbraw/zinc/12/56/73/886125673.db2.gz	UVSLJINAPQTJDL-SFYZADRCSA-N	1	0	284.276	-1.239	20	5		CABDRO
Cn1ccc(=O)n(CCC[NH2+]CC[N+](=O)[O-])c1=O	ZINC001357166687	886396232	/nfs/dbraw/zinc/39/62/32/886396232.db2.gz	ONOUOEMWSRBMFF-UHFFFAOYSA-N	1	0	256.262	-1.197	20	5		CABDRO
C[N@H+](CCO)CCNC(=O)Cn1cnc([N+](=O)[O-])n1	ZINC001471867696	892375496	/nfs/dbraw/zinc/37/54/96/892375496.db2.gz	IBYUYCGXJRZECT-UHFFFAOYSA-N	1	0	272.265	-1.773	20	5		CABDRO
CO[C@@H]1C[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H]1O	ZINC001473474293	892418441	/nfs/dbraw/zinc/41/84/41/892418441.db2.gz	DPJICLXFDRPESK-GMTAPVOTSA-N	1	0	286.288	-1.156	20	5		CABDRO
CO[C@@H]1C[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H]1O	ZINC001473474294	892420199	/nfs/dbraw/zinc/42/01/99/892420199.db2.gz	DPJICLXFDRPESK-HBNTYKKESA-N	1	0	286.288	-1.156	20	5		CABDRO
C[N@H+](CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CC(N)=O	ZINC001479771091	892482867	/nfs/dbraw/zinc/48/28/67/892482867.db2.gz	VCZMLLIIWBRMHK-HTQZYQBOSA-N	1	0	258.278	-1.425	20	5		CABDRO
CN(CC[NH2+]CC(=O)NC1CC1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001481229001	892585236	/nfs/dbraw/zinc/58/52/36/892585236.db2.gz	JFWZDFSOIIBZOA-NXEZZACHSA-N	1	0	284.316	-1.022	20	5		CABDRO
CNC(=O)C[NH2+]CCCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001483464148	892765295	/nfs/dbraw/zinc/76/52/95/892765295.db2.gz	HTLRUBFGBGJFEW-RKDXNWHRSA-N	1	0	272.305	-1.164	20	5		CABDRO
O=C(NCCN1CC[NH+](CCO)CC1)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001490492638	893205864	/nfs/dbraw/zinc/20/58/64/893205864.db2.gz	OXKCGSZUNLCYOG-GHMZBOCLSA-N	1	0	286.332	-1.622	20	5		CABDRO
CNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1	ZINC001491017077	893231360	/nfs/dbraw/zinc/23/13/60/893231360.db2.gz	BNWNCORBMMEWIA-BZNPZCIMSA-N	1	0	270.289	-1.366	20	5		CABDRO
C[NH+]1CCN(CCNC(=O)Cn2cnc([N+](=O)[O-])n2)CC1	ZINC001539576584	894454075	/nfs/dbraw/zinc/45/40/75/894454075.db2.gz	XYKFRLLQYBWFBE-UHFFFAOYSA-N	1	0	297.319	-1.450	20	5		CABDRO
O=C(NCCn1cc([N+](=O)[O-])cn1)[C@H]1C[NH2+]CCO1	ZINC000424170328	230277458	/nfs/dbraw/zinc/27/74/58/230277458.db2.gz	JFWBTVNQAQQAEW-SECBINFHSA-N	1	0	269.261	-1.104	20	5		CABDRO
CN(C)C[C@@H](CO)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000579833782	372852725	/nfs/dbraw/zinc/85/27/25/372852725.db2.gz	KEEOLPARTLOPMO-GXSJLCMTSA-N	1	0	287.320	-1.336	20	5		CABDRO
CN(C)C[C@H](CO)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000579833784	372853331	/nfs/dbraw/zinc/85/33/31/372853331.db2.gz	KEEOLPARTLOPMO-KOLCDFICSA-N	1	0	287.320	-1.336	20	5		CABDRO
C[NH+](C)C[C@@H](CO)NC(=O)Cn1cc([N+](=O)[O-])ccc1=O	ZINC000588864426	372880473	/nfs/dbraw/zinc/88/04/73/372880473.db2.gz	HRRSMBCUAPDCGQ-VIFPVBQESA-N	1	0	298.299	-1.205	20	5		CABDRO
C[NH+](C)C[C@@H](CO)NC(=O)Cn1ccc([N+](=O)[O-])n1	ZINC000588867144	372882184	/nfs/dbraw/zinc/88/21/84/372882184.db2.gz	XRYOJYCYKTVOJF-QMMMGPOBSA-N	1	0	271.277	-1.170	20	5		CABDRO
O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+](CCO)CCCO)c1	ZINC000075720413	372922921	/nfs/dbraw/zinc/92/29/21/372922921.db2.gz	HZTVQMFHOCNHDP-LLVKDONJSA-N	1	0	288.304	-1.171	20	5		CABDRO
CN1CC[NH2+]C[C@H]1CNC(=O)c1[nH]ncc1[N+](=O)[O-]	ZINC000565656383	373020492	/nfs/dbraw/zinc/02/04/92/373020492.db2.gz	PPDOONUDGMUBFU-ZETCQYMHSA-N	1	0	268.277	-1.049	20	5		CABDRO
CN1CC[NH2+]C[C@@H]1CNC(=O)Cn1ccc([N+](=O)[O-])n1	ZINC000566101731	373024361	/nfs/dbraw/zinc/02/43/61/373024361.db2.gz	LCSQOHHEWLCSGS-SECBINFHSA-N	1	0	282.304	-1.189	20	5		CABDRO
C[NH+](C)C[C@@H](CO)NC(=O)c1[nH]ncc1[N+](=O)[O-]	ZINC000590370191	373024452	/nfs/dbraw/zinc/02/44/52/373024452.db2.gz	VJWNEROCGUEREO-LURJTMIESA-N	1	0	257.250	-1.030	20	5		CABDRO
NC(=O)NC(=O)CC[NH2+]CCn1cc([N+](=O)[O-])cn1	ZINC000591756736	373060377	/nfs/dbraw/zinc/06/03/77/373060377.db2.gz	WNJBBGHWBXIBSS-UHFFFAOYSA-N	1	0	270.249	-1.034	20	5		CABDRO
NC(=O)[C@H](O)C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-]	ZINC000592432335	373071649	/nfs/dbraw/zinc/07/16/49/373071649.db2.gz	SXKMCNIGMNJCJR-WCBMZHEXSA-N	1	0	299.283	-1.230	20	5		CABDRO
C[NH+](C)C[C@@H](CO)NC(=O)c1c[nH]nc1[N+](=O)[O-]	ZINC000597654549	373151756	/nfs/dbraw/zinc/15/17/56/373151756.db2.gz	TYWYHMWQHSULPX-LURJTMIESA-N	1	0	257.250	-1.030	20	5		CABDRO
C[NH+](C)C[C@H](CO)NC(=O)c1cc([N+](=O)[O-])n[nH]1	ZINC000597652969	373151836	/nfs/dbraw/zinc/15/18/36/373151836.db2.gz	GRKZSQMPIQPCRS-ZCFIWIBFSA-N	1	0	257.250	-1.030	20	5		CABDRO
C[C@@H]([NH3+])CNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-]	ZINC000599104641	373169964	/nfs/dbraw/zinc/16/99/64/373169964.db2.gz	FYABBCNCDMOTOY-RXMQYKEDSA-N	1	0	263.279	-1.046	20	5		CABDRO
[NH3+]CCN(CCn1ccc([N+](=O)[O-])n1)C[C@H](O)CO	ZINC000595901166	373119602	/nfs/dbraw/zinc/11/96/02/373119602.db2.gz	BYCDUIHMLKVERV-VIFPVBQESA-N	1	0	273.293	-1.595	20	5		CABDRO
[NH3+]CCN(CCn1ccc([N+](=O)[O-])n1)C[C@@H](O)CO	ZINC000595901165	373119620	/nfs/dbraw/zinc/11/96/20/373119620.db2.gz	BYCDUIHMLKVERV-SECBINFHSA-N	1	0	273.293	-1.595	20	5		CABDRO
O=C(NCCn1cc([N+](=O)[O-])cn1)C1(O)C[NH2+]C1	ZINC000595956297	373125396	/nfs/dbraw/zinc/12/53/96/373125396.db2.gz	MGPKGNJISDOBJC-UHFFFAOYSA-N	1	0	255.234	-1.758	20	5		CABDRO
O=C(Cn1cc([N+](=O)[O-])cn1)N1CCOC2(C[NH2+]C2)C1	ZINC000596580025	373134117	/nfs/dbraw/zinc/13/41/17/373134117.db2.gz	KJNPJFCSMYDPOH-UHFFFAOYSA-N	1	0	281.272	-1.008	20	5		CABDRO
O=C(NCCN1CC[NH2+]CC1)c1[nH]ncc1[N+](=O)[O-]	ZINC000584528787	373645051	/nfs/dbraw/zinc/64/50/51/373645051.db2.gz	UPYACXFQEHMGSA-UHFFFAOYSA-N	1	0	268.277	-1.047	20	5		CABDRO
CN(CCC[NH3+])C(=O)C(=O)NCCn1cc([N+](=O)[O-])cn1	ZINC000574466901	335022341	/nfs/dbraw/zinc/02/23/41/335022341.db2.gz	XHBDQVLJBOTESV-UHFFFAOYSA-N	1	0	298.303	-1.285	20	5		CABDRO
O=C(Cn1ccc([N+](=O)[O-])n1)NCC[N@H+]1CC[C@H](O)C1	ZINC000600807489	374136500	/nfs/dbraw/zinc/13/65/00/374136500.db2.gz	HZXADNDTKYBOIJ-VIFPVBQESA-N	1	0	283.288	-1.026	20	5		CABDRO
C[N@@H+]1CC[C@](O)(CNC(=O)Cn2ccc([N+](=O)[O-])n2)C1	ZINC000358051729	252155063	/nfs/dbraw/zinc/15/50/63/252155063.db2.gz	RNIVIZLHFNVBIN-NSHDSACASA-N	1	0	283.288	-1.026	20	5		CABDRO
C[N@@H+]1CC[C@](O)(CNC(=O)Cn2cc([N+](=O)[O-])cn2)C1	ZINC000358083724	252155077	/nfs/dbraw/zinc/15/50/77/252155077.db2.gz	VXDGDYHCHHZFLJ-NSHDSACASA-N	1	0	283.288	-1.026	20	5		CABDRO
[NH3+]C[C@H]1CN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)CCO1	ZINC000358507525	252155102	/nfs/dbraw/zinc/15/51/02/252155102.db2.gz	DYMBRCNGCFCLHQ-JTQLQIEISA-N	1	0	296.283	-1.057	20	5		CABDRO
C[N@@H+]1CC[C@@](O)(CNC(=O)Cn2cc([N+](=O)[O-])cn2)C1	ZINC000358083723	252156275	/nfs/dbraw/zinc/15/62/75/252156275.db2.gz	VXDGDYHCHHZFLJ-LLVKDONJSA-N	1	0	283.288	-1.026	20	5		CABDRO
[NH3+]C[C@H]1CN(C(=O)Cn2cc([N+](=O)[O-])cn2)CCO1	ZINC000358508769	252156537	/nfs/dbraw/zinc/15/65/37/252156537.db2.gz	INXLWBLCNCXBDZ-VIFPVBQESA-N	1	0	269.261	-1.023	20	5		CABDRO
[NH3+]C[C@@H]1CN(C(=O)Cn2ccc([N+](=O)[O-])n2)CCO1	ZINC000358541253	252157718	/nfs/dbraw/zinc/15/77/18/252157718.db2.gz	MKKHANKVIMIQKV-MRVPVSSYSA-N	1	0	269.261	-1.023	20	5		CABDRO
CC(=O)NCC[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000037891486	184543198	/nfs/dbraw/zinc/54/31/98/184543198.db2.gz	MLHFZALWPWNJMA-JTQLQIEISA-N	1	0	271.277	-1.122	20	5		CABDRO
C[NH+](C)C1CN(C(=O)Cn2cnc([N+](=O)[O-])n2)C1	ZINC000342135012	130294731	/nfs/dbraw/zinc/29/47/31/130294731.db2.gz	TWXOKKQPWLJPFW-UHFFFAOYSA-N	1	0	254.250	-1.041	20	5		CABDRO
C[NH+](C)[C@H]1CN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@H]1O	ZINC000519862398	409457034	/nfs/dbraw/zinc/45/70/34/409457034.db2.gz	TZLHERVYARGYPX-SRVKXCTJSA-N	1	0	299.331	-1.241	20	5		CABDRO
C[C@H](O)C[N@H+](CCO)C[C@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000351926477	290081336	/nfs/dbraw/zinc/08/13/36/290081336.db2.gz	OOVLCPJFRZSXBK-ONGXEEELSA-N	1	0	288.304	-1.173	20	5		CABDRO
O=C(Cn1cc([N+](=O)[O-])ccc1=O)NC[C@@H]1C[NH2+]CCO1	ZINC000567674841	334750577	/nfs/dbraw/zinc/75/05/77/334750577.db2.gz	INNGFQAKAJTWTQ-JTQLQIEISA-N	1	0	296.283	-1.139	20	5		CABDRO
O=C(Cn1ccc([N+](=O)[O-])n1)NC[C@@H]1C[NH2+]CCO1	ZINC000567674986	334750671	/nfs/dbraw/zinc/75/06/71/334750671.db2.gz	URTYRYALKHSHNE-QMMMGPOBSA-N	1	0	269.261	-1.104	20	5		CABDRO
CN1CCN(C(=O)Cn2ccc([N+](=O)[O-])n2)[C@@H](C[NH3+])C1	ZINC000576518279	335213726	/nfs/dbraw/zinc/21/37/26/335213726.db2.gz	XKJWHXUAWHOWPO-VIFPVBQESA-N	1	0	282.304	-1.107	20	5		CABDRO
CN(C)C[C@@H](CO)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000579833786	335901332	/nfs/dbraw/zinc/90/13/32/335901332.db2.gz	KEEOLPARTLOPMO-ONGXEEELSA-N	1	0	287.320	-1.336	20	5		CABDRO
CN(C)C[C@@H](O)C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000717338654	782136901	/nfs/dbraw/zinc/13/69/01/782136901.db2.gz	HDBQFRUIQUGMCV-QWRGUYRKSA-N	1	0	287.320	-1.336	20	5		CABDRO
CN(C)C[C@@H](O)C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000717338655	782137674	/nfs/dbraw/zinc/13/76/74/782137674.db2.gz	HDBQFRUIQUGMCV-WDEREUQCSA-N	1	0	287.320	-1.336	20	5		CABDRO
CC[N@@H+](CC(N)=O)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000191735751	527979552	/nfs/dbraw/zinc/97/95/52/527979552.db2.gz	HJVLPDGSXCWJTL-SECBINFHSA-N	1	0	271.277	-1.041	20	5		CABDRO
C[NH+](C)CC(=O)N1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1	ZINC000839506565	582140049	/nfs/dbraw/zinc/14/00/49/582140049.db2.gz	CMHMQFTUIIQCKV-NXEZZACHSA-N	1	0	284.316	-1.116	20	5		CABDRO
Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H]1C[C@H](NC(=O)C(N)=O)C1	ZINC001020533317	655999899	/nfs/dbraw/zinc/99/98/99/655999899.db2.gz	QPSHNSFQBQRQMB-LJGSYFOKSA-N	1	0	296.287	-1.450	20	5		CABDRO
O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2C[C@H](O)C[C@H](O)C2)c1	ZINC000610604294	656028377	/nfs/dbraw/zinc/02/83/77/656028377.db2.gz	MEYILIZWXBLFDB-OUAUKWLOSA-N	1	0	286.288	-1.420	20	5		CABDRO
CS(=O)(=O)N1CCN(CC[NH2+]CC[N+](=O)[O-])CC1	ZINC000905068644	656189750	/nfs/dbraw/zinc/18/97/50/656189750.db2.gz	QETQRNLADZOUGL-UHFFFAOYSA-N	1	0	280.350	-1.570	20	5		CABDRO
O=C1COC[C@@]2(C[NH2+]CC[N+](=O)[O-])COCCN12	ZINC000905407177	656191777	/nfs/dbraw/zinc/19/17/77/656191777.db2.gz	ARGNXJKXMPHVAQ-SNVBAGLBSA-N	1	0	259.262	-1.520	20	5		CABDRO
O=C(NCC1C[NH+](CCn2cncn2)C1)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001031662510	656381381	/nfs/dbraw/zinc/38/13/81/656381381.db2.gz	FNBNONSQLFQBPY-GHMZBOCLSA-N	1	0	294.315	-1.009	20	5		CABDRO
NC(=O)C[NH2+]C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1	ZINC000996430095	656490218	/nfs/dbraw/zinc/49/02/18/656490218.db2.gz	ZQFFBTHVKJJGIN-RKDXNWHRSA-N	1	0	270.289	-1.283	20	5		CABDRO
CNC(=O)C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@H]2C1	ZINC001048812118	782517420	/nfs/dbraw/zinc/51/74/20/782517420.db2.gz	AWJWIWQXQGHHGK-LMLFDSFASA-N	1	0	296.327	-1.212	20	5		CABDRO
NC(=O)C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@H]2C1	ZINC001048814569	782518875	/nfs/dbraw/zinc/51/88/75/782518875.db2.gz	SQAOCMCQWOYCKI-UTINFBMNSA-N	1	0	282.300	-1.473	20	5		CABDRO
COc1nc(N2C[C@@H](O)[C@@H]([NH3+])C2)ncc1[N+](=O)[O-]	ZINC001167090168	775115369	/nfs/dbraw/zinc/11/53/69/775115369.db2.gz	MNDMYBBMCXKIBV-CAHLUQPWSA-N	1	0	255.234	-1.098	20	5		CABDRO
O=[N+]([O-])c1c(NC(CO)(CO)CO)ncnc1C1C[NH2+]C1	ZINC001167928233	775436248	/nfs/dbraw/zinc/43/62/48/775436248.db2.gz	GCHNSKQFULVHJW-UHFFFAOYSA-N	1	0	299.287	-1.801	20	5		CABDRO
C[N+](C)(C)C[C@H](O)CC(=O)Oc1nccnc1C(N)=O	ZINC001228279996	775633295	/nfs/dbraw/zinc/63/32/95/775633295.db2.gz	WWCAGJIYKGORDU-MRVPVSSYSA-O	1	0	283.308	-1.062	20	5		CABDRO
O=C(C[NH2+]CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])N1CCCC1	ZINC001126932236	775731093	/nfs/dbraw/zinc/73/10/93/775731093.db2.gz	NTHGRTYOLGNAIC-NXEZZACHSA-N	1	0	284.316	-1.020	20	5		CABDRO
O=C(C[NH2+]CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])NCC1CC1	ZINC001126932412	775732198	/nfs/dbraw/zinc/73/21/98/775732198.db2.gz	WKBKBXDTQGHDPI-NXEZZACHSA-N	1	0	284.316	-1.116	20	5		CABDRO
NC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001126936433	775733563	/nfs/dbraw/zinc/73/35/63/775733563.db2.gz	HLOLKXMFYMLBFG-PHDIDXHHSA-N	1	0	273.249	-2.448	20	5		CABDRO
O=C(NCC[NH2+]CCOCCO)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001126936211	775733868	/nfs/dbraw/zinc/73/38/68/775733868.db2.gz	ASLXYIGQCIEUCO-RKDXNWHRSA-N	1	0	261.278	-1.634	20	5		CABDRO
CCCNC(=O)C[NH2+]CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001126936958	775733882	/nfs/dbraw/zinc/73/38/82/775733882.db2.gz	YOYXXSOLCWNTCQ-RKDXNWHRSA-N	1	0	272.305	-1.116	20	5		CABDRO
O=C(C[NH2+]CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])NC1CC1	ZINC001126936577	775734199	/nfs/dbraw/zinc/73/41/99/775734199.db2.gz	MAWQXMSIBUSMLA-RKDXNWHRSA-N	1	0	270.289	-1.364	20	5		CABDRO
CS(=O)(=O)CC[NH2+]CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001126936830	775734585	/nfs/dbraw/zinc/73/45/85/775734585.db2.gz	SXFAWGIJXQQISQ-HTQZYQBOSA-N	1	0	279.318	-1.598	20	5		CABDRO
O=C(NCC[NH2+]CCN1CCNC1=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001126936294	775734758	/nfs/dbraw/zinc/73/47/58/775734758.db2.gz	FMVUQRZBGFDZNQ-RKDXNWHRSA-N	1	0	285.304	-1.617	20	5		CABDRO
O=C(NCC[NH2+]CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CC1	ZINC001126938701	775736546	/nfs/dbraw/zinc/73/65/46/775736546.db2.gz	HLEGTEXBGSXGPT-NXEZZACHSA-N	1	0	284.316	-1.116	20	5		CABDRO
O=C(NCC[NH2+]CCN1CCCC1=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001126938762	775736801	/nfs/dbraw/zinc/73/68/01/775736801.db2.gz	KDWCRMJSZAVVPA-NXEZZACHSA-N	1	0	284.316	-1.020	20	5		CABDRO
CS(=O)(=O)CCC[NH2+]CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001126939375	775738359	/nfs/dbraw/zinc/73/83/59/775738359.db2.gz	VUQJMLQTUPRFAZ-RKDXNWHRSA-N	1	0	293.345	-1.208	20	5		CABDRO
O=C(NCC[NH2+]CCn1cncn1)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001126938543	775738478	/nfs/dbraw/zinc/73/84/78/775738478.db2.gz	DPXBEXFHECHQKS-RKDXNWHRSA-N	1	0	268.277	-1.351	20	5		CABDRO
CS(=O)(=O)NCC[NH2+]CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001126939394	775739030	/nfs/dbraw/zinc/73/90/30/775739030.db2.gz	WKJHMSCRRQWSON-HTQZYQBOSA-N	1	0	294.333	-2.093	20	5		CABDRO
O=C(C[NH2+]CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Nc1ccon1	ZINC001126942722	775743228	/nfs/dbraw/zinc/74/32/28/775743228.db2.gz	FSBUQYDSQIUPPB-HTQZYQBOSA-N	1	0	297.271	-1.016	20	5		CABDRO
O=C(NCC[NH2+]CCN1C(=O)CCC1=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001126942731	775743682	/nfs/dbraw/zinc/74/36/82/775743682.db2.gz	FYGRQSPQOWKHNQ-RKDXNWHRSA-N	1	0	298.299	-1.494	20	5		CABDRO
O=[N+]([O-])c1c(NC[C@@H](O)CO)ncnc1C1C[NH2+]C1	ZINC001163352356	776262460	/nfs/dbraw/zinc/26/24/60/776262460.db2.gz	DPGDKYZKTORDRL-SSDOTTSWSA-N	1	0	269.261	-1.163	20	5		CABDRO
O=[N+]([O-])c1c(N2CC(O)C2)ncnc1N1CC[NH2+]CC1	ZINC001166937365	776459193	/nfs/dbraw/zinc/45/91/93/776459193.db2.gz	OGQWGOBVELKMQF-UHFFFAOYSA-N	1	0	280.288	-1.025	20	5		CABDRO
NC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1	ZINC001086083388	776499909	/nfs/dbraw/zinc/49/99/09/776499909.db2.gz	XKOFDXYRRRMVFP-BZNPZCIMSA-N	1	0	270.289	-1.379	20	5		CABDRO
NC(=O)c1cc([N+](=O)[O-])cnc1-n1nnnc1C[NH3+]	ZINC001168917089	776517686	/nfs/dbraw/zinc/51/76/86/776517686.db2.gz	BYVOVDADGNJJDC-UHFFFAOYSA-N	1	0	264.205	-1.477	20	5		CABDRO
COc1ncc([N+](=O)[O-])c(-n2nnnc2C[NH3+])n1	ZINC001168919324	776518131	/nfs/dbraw/zinc/51/81/31/776518131.db2.gz	ZUVYASOCYZSSKW-UHFFFAOYSA-N	1	0	252.194	-1.172	20	5		CABDRO
Cc1c[n+]([O-])c(-n2nnnc2C[NH3+])cc1[N+](=O)[O-]	ZINC001168919003	776518731	/nfs/dbraw/zinc/51/87/31/776518731.db2.gz	QGGXSGJBNHXWCX-UHFFFAOYSA-N	1	0	251.206	-1.029	20	5		CABDRO
NC(=O)c1nc(-n2nnnc2C[NH3+])ccc1[N+](=O)[O-]	ZINC001168917450	776518741	/nfs/dbraw/zinc/51/87/41/776518741.db2.gz	IJDCNXKMBJZSPC-UHFFFAOYSA-N	1	0	264.205	-1.477	20	5		CABDRO
NC(=O)C[C@H]([NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)C(N)=O	ZINC001169000256	776519420	/nfs/dbraw/zinc/51/94/20/776519420.db2.gz	XFQHQQXLZRGPSG-PRJMDXOYSA-N	1	0	258.278	-1.249	20	5		CABDRO
NC(=O)CNC(=O)C[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1	ZINC001169001975	776519859	/nfs/dbraw/zinc/51/98/59/776519859.db2.gz	ITFBEZOSWHSMEO-SFYZADRCSA-N	1	0	258.278	-1.377	20	5		CABDRO
NC(=O)C[C@H]([NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)C(N)=O	ZINC001169000255	776520635	/nfs/dbraw/zinc/52/06/35/776520635.db2.gz	XFQHQQXLZRGPSG-FXQIFTODSA-N	1	0	258.278	-1.249	20	5		CABDRO
COc1ncnc(-n2nnc(CC[NH3+])n2)c1[N+](=O)[O-]	ZINC001156985426	776554720	/nfs/dbraw/zinc/55/47/20/776554720.db2.gz	XVVOEXINEKANAK-UHFFFAOYSA-N	1	0	266.221	-1.130	20	5		CABDRO
NC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001157767278	776607359	/nfs/dbraw/zinc/60/73/59/776607359.db2.gz	KTFDFBRQFGRGCF-RNFRBKRXSA-N	1	0	287.276	-2.058	20	5		CABDRO
C[NH+](C)CCC(=O)NC1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1	ZINC001284940422	777963612	/nfs/dbraw/zinc/96/36/12/777963612.db2.gz	CUBNVBJOJVYGIK-NXEZZACHSA-N	1	0	284.316	-1.070	20	5		CABDRO
C[NH+](C)CCC(=O)N1CC(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1	ZINC001297047279	778104175	/nfs/dbraw/zinc/10/41/75/778104175.db2.gz	LQGKACQCTFXWIH-NXEZZACHSA-N	1	0	284.316	-1.070	20	5		CABDRO
O=C(Cn1cnc([N+](=O)[O-])n1)N1CC(N2CC[C@@H](O)C2)C1	ZINC001118270675	779558898	/nfs/dbraw/zinc/55/88/98/779558898.db2.gz	AKXMURDBGJNPRQ-SECBINFHSA-N	1	0	296.287	-1.536	20	5		CABDRO
O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]CCN2CC[C@@H](O)C2)c1	ZINC001118900283	779595651	/nfs/dbraw/zinc/59/56/51/779595651.db2.gz	LHEKVPBMJCOTEQ-VXGBXAGGSA-N	1	0	299.331	-1.192	20	5		CABDRO
[NH3+]CCc1nnn(-c2cc([N+](=O)[O-])cc[n+]2[O-])n1	ZINC001156985603	779893099	/nfs/dbraw/zinc/89/30/99/779893099.db2.gz	GCMPIZGXCCEPGU-UHFFFAOYSA-N	1	0	251.206	-1.295	20	5		CABDRO
COc1nc(-n2nnc(CC[NH3+])n2)ncc1[N+](=O)[O-]	ZINC001156986546	779893118	/nfs/dbraw/zinc/89/31/18/779893118.db2.gz	ZXXSVYGEYLHNNH-UHFFFAOYSA-N	1	0	266.221	-1.130	20	5		CABDRO
O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]CCOCCO)c1	ZINC000052925059	779898932	/nfs/dbraw/zinc/89/89/32/779898932.db2.gz	VZLKVXLAPZPKDT-JTQLQIEISA-N	1	0	274.277	-1.249	20	5		CABDRO
O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]CCOCCO)c1	ZINC000052925058	779899027	/nfs/dbraw/zinc/89/90/27/779899027.db2.gz	VZLKVXLAPZPKDT-SNVBAGLBSA-N	1	0	274.277	-1.249	20	5		CABDRO
CS(=O)(=O)CC[NH2+]CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001157766856	779912589	/nfs/dbraw/zinc/91/25/89/779912589.db2.gz	AXRDSWXNPHUILJ-RKDXNWHRSA-N	1	0	293.345	-1.208	20	5		CABDRO
[NH3+]Cc1nc(=O)[n-]n1-c1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1	ZINC001157940011	779920326	/nfs/dbraw/zinc/92/03/26/779920326.db2.gz	FXHKHZBFEGEVTL-UHFFFAOYSA-N	1	0	292.259	-1.183	20	5		CABDRO
O=[N+]([O-])c1cnc(NC(CO)CO)nc1C1C[NH2+]C1	ZINC001161750821	780026067	/nfs/dbraw/zinc/02/60/67/780026067.db2.gz	WNBOSVHXLQMZAM-UHFFFAOYSA-N	1	0	269.261	-1.163	20	5		CABDRO
NC(=O)CNc1ncnc(C2C[NH2+]C2)c1[N+](=O)[O-]	ZINC001161840602	780028060	/nfs/dbraw/zinc/02/80/60/780028060.db2.gz	NLIKOJFPBBEBFA-UHFFFAOYSA-N	1	0	252.234	-1.031	20	5		CABDRO
O=[N+]([O-])c1cnc(N2C[C@@H](O)[C@H](CO)C2)nc1C1C[NH2+]C1	ZINC001164553353	780075156	/nfs/dbraw/zinc/07/51/56/780075156.db2.gz	YOIHHUHKPJHNNS-WCBMZHEXSA-N	1	0	295.299	-1.139	20	5		CABDRO
O=C1NCCN(c2cc([N+](=O)[O-])cc[n+]2[O-])C12C[NH2+]C2	ZINC001165298103	780078381	/nfs/dbraw/zinc/07/83/81/780078381.db2.gz	RRCLCVIBHPMDEQ-UHFFFAOYSA-N	1	0	279.256	-1.494	20	5		CABDRO
Cc1nc(N2CCNC(=O)C23C[NH2+]C3)ncc1[N+](=O)[O-]	ZINC001165300702	780078827	/nfs/dbraw/zinc/07/88/27/780078827.db2.gz	JIGIROUTMFXBOP-UHFFFAOYSA-N	1	0	278.272	-1.029	20	5		CABDRO
Cc1c([N+](=O)[O-])cc[n+]([O-])c1N1CCNC(=O)C12C[NH2+]C2	ZINC001165302064	780079895	/nfs/dbraw/zinc/07/98/95/780079895.db2.gz	GTOPEYOMFJJGCN-UHFFFAOYSA-N	1	0	293.283	-1.185	20	5		CABDRO
CN(C[C@@H](O)CO)c1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1	ZINC001165534636	780083081	/nfs/dbraw/zinc/08/30/81/780083081.db2.gz	YECGDXUOUGCDMS-MRVPVSSYSA-N	1	0	283.288	-1.139	20	5		CABDRO
C[N+](C)(C)C[C@H](O)CC(=O)OCC(=O)N1CCOCC1	ZINC001210259889	780138646	/nfs/dbraw/zinc/13/86/46/780138646.db2.gz	BCIAWQMPBSEYHT-LLVKDONJSA-N	1	0	289.352	-1.154	20	5		CABDRO
O=C(CO[C@H]1CCC[NH2+]C1)N1CC([N+](=O)[O-])([N+](=O)[O-])C1	ZINC001217859571	780162457	/nfs/dbraw/zinc/16/24/57/780162457.db2.gz	HJNYYJZDAFXNHO-QMMMGPOBSA-N	1	0	288.260	-1.153	20	5		CABDRO
O=C(CO[C@@H]1CCC[NH2+]C1)N1CC([N+](=O)[O-])([N+](=O)[O-])C1	ZINC001217859367	780162943	/nfs/dbraw/zinc/16/29/43/780162943.db2.gz	HJNYYJZDAFXNHO-MRVPVSSYSA-N	1	0	288.260	-1.153	20	5		CABDRO
O=C(CO[C@H]1CC[NH2+]C1)N1CC([N+](=O)[O-])([N+](=O)[O-])C1	ZINC001217822414	780163165	/nfs/dbraw/zinc/16/31/65/780163165.db2.gz	KBUFNVAUONWLNH-ZETCQYMHSA-N	1	0	274.233	-1.543	20	5		CABDRO
C[N+](C)(C)C[C@H](O)CC(=O)Oc1ncncc1C(N)=O	ZINC001229430073	780454542	/nfs/dbraw/zinc/45/45/42/780454542.db2.gz	PIKXAGFHFHFICD-MRVPVSSYSA-O	1	0	283.308	-1.062	20	5		CABDRO
CNC(=O)C[N@H+](C)CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001265843012	780761902	/nfs/dbraw/zinc/76/19/02/780761902.db2.gz	SPSSUBAZJLIUIF-RKDXNWHRSA-N	1	0	272.305	-1.164	20	5		CABDRO
CN1CC[N@H+](C)C[C@H]1CNC(=O)Cn1cnc([N+](=O)[O-])n1	ZINC001146376922	781483907	/nfs/dbraw/zinc/48/39/07/781483907.db2.gz	QZSYJUPFVUTEID-SECBINFHSA-N	1	0	297.319	-1.452	20	5		CABDRO
NC(=O)[C@@]1(O)CC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1	ZINC001321805733	884521251	/nfs/dbraw/zinc/52/12/51/884521251.db2.gz	DXEGLOUYBBNMFW-SNVBAGLBSA-N	1	0	269.261	-1.287	20	5		CABDRO
CNC(=O)C[N@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC001322159064	884539919	/nfs/dbraw/zinc/53/99/19/884539919.db2.gz	NYQXLOTZSUFKHH-SECBINFHSA-N	1	0	271.277	-1.170	20	5		CABDRO
C[N@H+](CCC(N)=O)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC001322444091	884554728	/nfs/dbraw/zinc/55/47/28/884554728.db2.gz	ADDBPWCYZCCAEK-SECBINFHSA-N	1	0	271.277	-1.041	20	5		CABDRO
O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2C[C@H](O)C[C@H]2CO)c1	ZINC001324101617	884649949	/nfs/dbraw/zinc/64/99/49/884649949.db2.gz	BRGRKSVMXRRODE-GDPRMGEGSA-N	1	0	286.288	-1.420	20	5		CABDRO
NC(=O)[C@]1(O)CC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1	ZINC001324452618	884671290	/nfs/dbraw/zinc/67/12/90/884671290.db2.gz	QQEVFSNHJUFHEH-LBPRGKRZSA-N	1	0	296.283	-1.321	20	5		CABDRO
O=C(Cn1cnc([N+](=O)[O-])n1)NCCN1CC[NH2+]CC1	ZINC001326298848	884780666	/nfs/dbraw/zinc/78/06/66/884780666.db2.gz	WLNRJEBKWKUDRO-UHFFFAOYSA-N	1	0	283.292	-1.792	20	5		CABDRO
[NH3+]CCOCC(=O)NCCn1cc([N+](=O)[O-])cn1	ZINC001326340667	884785336	/nfs/dbraw/zinc/78/53/36/884785336.db2.gz	MAJOFUVWBGSZOC-UHFFFAOYSA-N	1	0	257.250	-1.117	20	5		CABDRO
NC(=O)C[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCC1	ZINC001326821331	884838541	/nfs/dbraw/zinc/83/85/41/884838541.db2.gz	DHTJIVVEWBPFGU-HTQZYQBOSA-N	1	0	270.289	-1.235	20	5		CABDRO
NC(=O)c1cc([N+](=O)[O-])cn(C[C@H]2C[NH2+]CCO2)c1=O	ZINC001327386988	884883384	/nfs/dbraw/zinc/88/33/84/884883384.db2.gz	OESMMCWEHOQHFD-MRVPVSSYSA-N	1	0	282.256	-1.156	20	5		CABDRO
C[NH2+]C[C@@H](C)NC(=O)C(=O)NCCn1cc([N+](=O)[O-])cn1	ZINC001327835798	884931732	/nfs/dbraw/zinc/93/17/32/884931732.db2.gz	VQLWCLDBJKEGOB-MRVPVSSYSA-N	1	0	298.303	-1.368	20	5		CABDRO
NC(=O)[C@@]1(O)CC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1	ZINC001327836878	884933534	/nfs/dbraw/zinc/93/35/34/884933534.db2.gz	YZGVABIJMGCXIB-SNVBAGLBSA-N	1	0	269.261	-1.287	20	5		CABDRO
NC(=O)[C@H]1CN(c2cc[nH]c(=O)c2[N+](=O)[O-])CC[NH2+]1	ZINC001330621848	885213554	/nfs/dbraw/zinc/21/35/54/885213554.db2.gz	NELAUMHGARPTMJ-ZCFIWIBFSA-N	1	0	267.245	-1.041	20	5		CABDRO
O=C(Cn1cnc([N+](=O)[O-])n1)N1CCOC2(C[NH2+]C2)C1	ZINC001330703900	885224696	/nfs/dbraw/zinc/22/46/96/885224696.db2.gz	PJEXQXKOTNTDRT-UHFFFAOYSA-N	1	0	282.260	-1.613	20	5		CABDRO
C[NH+](C)C[C@@H](CO)NC(=O)Cn1cnc([N+](=O)[O-])n1	ZINC001334410258	885541993	/nfs/dbraw/zinc/54/19/93/885541993.db2.gz	VSLPXSGIQVGADH-ZETCQYMHSA-N	1	0	272.265	-1.775	20	5		CABDRO
CCN(CC[NH3+])C(=O)C(=O)NCCn1cc([N+](=O)[O-])cn1	ZINC001335240718	885599080	/nfs/dbraw/zinc/59/90/80/885599080.db2.gz	QKNARFNQWBRIFH-UHFFFAOYSA-N	1	0	298.303	-1.285	20	5		CABDRO
C[C@@H](O)[C@@H](CO)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC001345945245	885976333	/nfs/dbraw/zinc/97/63/33/885976333.db2.gz	ZKNBKIQIQVCKTL-SZEHBUNVSA-N	1	0	274.277	-1.517	20	5		CABDRO
C[C@@H]([NH3+])[C@H]1CN(C(=O)Cn2cnc([N+](=O)[O-])n2)CCO1	ZINC001349390321	886124887	/nfs/dbraw/zinc/12/48/87/886124887.db2.gz	UVSLJINAPQTJDL-HTQZYQBOSA-N	1	0	284.276	-1.239	20	5		CABDRO
CC(=O)N1CCN(C(=O)CC[NH2+]CC[N+](=O)[O-])CC1	ZINC001352802559	886246675	/nfs/dbraw/zinc/24/66/75/886246675.db2.gz	JCAMGLDRZLGHCI-UHFFFAOYSA-N	1	0	272.305	-1.067	20	5		CABDRO
C[N@H+](CCO)CCNC(=O)c1cc([N+](=O)[O-])n[nH]1	ZINC001471867448	892377004	/nfs/dbraw/zinc/37/70/04/892377004.db2.gz	AVQVNPXCGTVJAA-UHFFFAOYSA-N	1	0	257.250	-1.028	20	5		CABDRO
CN(CC[NH2+]CC(=O)N1CCC1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001481229330	892587311	/nfs/dbraw/zinc/58/73/11/892587311.db2.gz	NJGVWKHRRFLUCG-NXEZZACHSA-N	1	0	284.316	-1.068	20	5		CABDRO
CCN(CC[NH2+]CC(=O)NC)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001497389851	893617352	/nfs/dbraw/zinc/61/73/52/893617352.db2.gz	BBUCJKZXUWIUOA-RKDXNWHRSA-N	1	0	272.305	-1.164	20	5		CABDRO
NC(=O)C[NH2+]C/C=C\CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001497585488	893626865	/nfs/dbraw/zinc/62/68/65/893626865.db2.gz	WSZWJBGSATWMCL-LQKKCHKWSA-N	1	0	256.262	-1.601	20	5		CABDRO
CNC(=O)C1C[NH+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1	ZINC000184788152	529844056	/nfs/dbraw/zinc/84/40/56/529844056.db2.gz	CXLWJTSGESDELS-SNVBAGLBSA-N	1	0	283.288	-1.170	20	5		CABDRO
C[NH+](C)C[C@@H](CO)NC(=O)Cn1cc([N+](=O)[O-])cn1	ZINC000588863741	372882199	/nfs/dbraw/zinc/88/21/99/372882199.db2.gz	FFDZOZJNKSMGCW-QMMMGPOBSA-N	1	0	271.277	-1.170	20	5		CABDRO
CN1CC[NH2+]C[C@@H]1CNC(=O)c1[nH]ncc1[N+](=O)[O-]	ZINC000565656381	373021560	/nfs/dbraw/zinc/02/15/60/373021560.db2.gz	PPDOONUDGMUBFU-SSDOTTSWSA-N	1	0	268.277	-1.049	20	5		CABDRO
O=C(Cn1cc([N+](=O)[O-])cn1)NCC(=O)N1CC[NH2+]CC1	ZINC000565593511	373021828	/nfs/dbraw/zinc/02/18/28/373021828.db2.gz	NKESQQLZDZJDTC-UHFFFAOYSA-N	1	0	296.287	-1.661	20	5		CABDRO
O=C(Cn1cc([N+](=O)[O-])cn1)NC[C@H]1C[NH2+]CCO1	ZINC000565594203	373022037	/nfs/dbraw/zinc/02/20/37/373022037.db2.gz	RCKBJAXTYBQTKX-SECBINFHSA-N	1	0	269.261	-1.104	20	5		CABDRO
CO[C@@H](C[NH3+])C(=O)NCCn1cc([N+](=O)[O-])cn1	ZINC000566101479	373022922	/nfs/dbraw/zinc/02/29/22/373022922.db2.gz	SVRRCYPJIAPCMD-QMMMGPOBSA-N	1	0	257.250	-1.119	20	5		CABDRO
CN1CC[NH2+]C[C@H]1CNC(=O)Cn1ccc([N+](=O)[O-])n1	ZINC000566101732	373024039	/nfs/dbraw/zinc/02/40/39/373024039.db2.gz	LCSQOHHEWLCSGS-VIFPVBQESA-N	1	0	282.304	-1.189	20	5		CABDRO
O=C(NCCn1cc([N+](=O)[O-])cn1)[C@@H]1C[NH2+]CCO1	ZINC000592223886	373070657	/nfs/dbraw/zinc/07/06/57/373070657.db2.gz	JFWBTVNQAQQAEW-VIFPVBQESA-N	1	0	269.261	-1.104	20	5		CABDRO
NC(=O)[C@@H](O)C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-]	ZINC000592432336	373072119	/nfs/dbraw/zinc/07/21/19/373072119.db2.gz	SXKMCNIGMNJCJR-WPRPVWTQSA-N	1	0	299.283	-1.230	20	5		CABDRO
Cn1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CCC[NH3+])n1	ZINC000599096115	373166532	/nfs/dbraw/zinc/16/65/32/373166532.db2.gz	KUTGLXUJZONGDF-UHFFFAOYSA-N	1	0	263.279	-1.045	20	5		CABDRO
CN(C1C[NH2+]C1)S(=O)(=O)c1nn(C)cc1[N+](=O)[O-]	ZINC000599105498	373169571	/nfs/dbraw/zinc/16/95/71/373169571.db2.gz	DBLRZRUKGVYHAS-UHFFFAOYSA-N	1	0	275.290	-1.079	20	5		CABDRO
C[C@H](C[NH3+])NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-]	ZINC000599102077	373170030	/nfs/dbraw/zinc/17/00/30/373170030.db2.gz	PHEBTVVLAVFMOE-RXMQYKEDSA-N	1	0	263.279	-1.046	20	5		CABDRO
[NH3+]CCN(CCn1cc([N+](=O)[O-])cn1)C[C@H](O)CO	ZINC000595902225	373123184	/nfs/dbraw/zinc/12/31/84/373123184.db2.gz	NNIZQZGFLZVJAN-JTQLQIEISA-N	1	0	273.293	-1.595	20	5		CABDRO
NC(=O)[C@H](O)C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1	ZINC000569003199	373220864	/nfs/dbraw/zinc/22/08/64/373220864.db2.gz	KZSJYVDNLXPJRA-GXSJLCMTSA-N	1	0	299.283	-1.230	20	5		CABDRO
NC(=O)[C@@H](O)C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1	ZINC000569003200	373221183	/nfs/dbraw/zinc/22/11/83/373221183.db2.gz	KZSJYVDNLXPJRA-KOLCDFICSA-N	1	0	299.283	-1.230	20	5		CABDRO
O=c1ccc([N+](=O)[O-])cn1CC[NH2+]C(CO)CO	ZINC000583271915	373636560	/nfs/dbraw/zinc/63/65/60/373636560.db2.gz	TYVLLMCOCZFRMD-UHFFFAOYSA-N	1	0	257.246	-1.301	20	5		CABDRO
O=C(NCCn1cc([N+](=O)[O-])cn1)C(=O)N[C@H]1CC[NH2+]C1	ZINC000581023314	374009723	/nfs/dbraw/zinc/00/97/23/374009723.db2.gz	MISGVVLRTBRRJI-QMMMGPOBSA-N	1	0	296.287	-1.614	20	5		CABDRO
C[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H]1COC[C@H]1O	ZINC000285419622	374113127	/nfs/dbraw/zinc/11/31/27/374113127.db2.gz	BTVHHCSHTDZGNC-GMTAPVOTSA-N	1	0	286.288	-1.156	20	5		CABDRO
[NH3+]C[C@@H]1CN(C(=O)Cn2cc([N+](=O)[O-])cn2)CCO1	ZINC000358508758	252156042	/nfs/dbraw/zinc/15/60/42/252156042.db2.gz	INXLWBLCNCXBDZ-SECBINFHSA-N	1	0	269.261	-1.023	20	5		CABDRO
C[N@@H+]1CC[C@@](O)(CNC(=O)Cn2ccc([N+](=O)[O-])n2)C1	ZINC000358051726	252156339	/nfs/dbraw/zinc/15/63/39/252156339.db2.gz	RNIVIZLHFNVBIN-LLVKDONJSA-N	1	0	283.288	-1.026	20	5		CABDRO
CN(CC(=O)N1CC[NH2+]CC1)C(=O)c1n[nH]cc1[N+](=O)[O-]	ZINC000353048249	409543001	/nfs/dbraw/zinc/54/30/01/409543001.db2.gz	PKYQHJVLSSXLHI-UHFFFAOYSA-N	1	0	296.287	-1.178	20	5		CABDRO
CN1CC[NH2+]C[C@@H]1CNc1ncc([N+](=O)[O-])c(N)n1	ZINC000420279306	409739689	/nfs/dbraw/zinc/73/96/89/409739689.db2.gz	SLFBIADPTYZUGV-SSDOTTSWSA-N	1	0	267.293	-1.296	20	5		CABDRO
NC(=O)[C@H](CO)[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1	ZINC000517567687	260193628	/nfs/dbraw/zinc/19/36/28/260193628.db2.gz	OJGDNXQPALQTDU-KOLCDFICSA-N	1	0	299.283	-1.230	20	5		CABDRO
CC(CO)(CO)C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000393867062	269088274	/nfs/dbraw/zinc/08/82/74/269088274.db2.gz	VENSNDKQGIKVAG-JTQLQIEISA-N	1	0	288.304	-1.267	20	5		CABDRO
O=C(NCCN1CC[NH2+]CC1)c1cc([N+](=O)[O-])n[nH]1	ZINC000517028236	269089021	/nfs/dbraw/zinc/08/90/21/269089021.db2.gz	WIWMQOMHTNAUGK-UHFFFAOYSA-N	1	0	268.277	-1.047	20	5		CABDRO
CN1CC[NH2+]C[C@@H]1CNC(=O)Cn1cc([N+](=O)[O-])cn1	ZINC000563617755	328077108	/nfs/dbraw/zinc/07/71/08/328077108.db2.gz	RSMSPFZOIWTAMH-SECBINFHSA-N	1	0	282.304	-1.189	20	5		CABDRO
NC(=O)[C@H](O)C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1	ZINC000569003201	327028689	/nfs/dbraw/zinc/02/86/89/327028689.db2.gz	KZSJYVDNLXPJRA-MWLCHTKSSA-N	1	0	299.283	-1.230	20	5		CABDRO
C[NH+](C)[C@H]1CN(C(=O)Cn2cnc([N+](=O)[O-])n2)C[C@@H]1O	ZINC000575879890	335127674	/nfs/dbraw/zinc/12/76/74/335127674.db2.gz	CYJBFAGGTPKDHK-YUMQZZPRSA-N	1	0	284.276	-1.680	20	5		CABDRO
O=C(Cn1ccc([N+](=O)[O-])n1)NCC(=O)N1CC[NH2+]CC1	ZINC000576148123	335160501	/nfs/dbraw/zinc/16/05/01/335160501.db2.gz	GLXRQSURHOWOSM-UHFFFAOYSA-N	1	0	296.287	-1.661	20	5		CABDRO
COC(=O)C[C@H]([NH3+])C(=O)NCCn1cc([N+](=O)[O-])cn1	ZINC000567499370	334725988	/nfs/dbraw/zinc/72/59/88/334725988.db2.gz	VYJWSRMSJYLGOW-QMMMGPOBSA-N	1	0	285.260	-1.202	20	5		CABDRO
O=C(Cn1ccc([N+](=O)[O-])n1)NC[C@H]1C[NH2+]CCO1	ZINC000567674985	334750656	/nfs/dbraw/zinc/75/06/56/334750656.db2.gz	URTYRYALKHSHNE-MRVPVSSYSA-N	1	0	269.261	-1.104	20	5		CABDRO
CNC(=O)C[NH2+]C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1	ZINC001200461809	782096921	/nfs/dbraw/zinc/09/69/21/782096921.db2.gz	LEJGAJZQLQQGJV-NXEZZACHSA-N	1	0	284.316	-1.022	20	5		CABDRO
CN(C)C[C@H](O)C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000717338637	782137236	/nfs/dbraw/zinc/13/72/36/782137236.db2.gz	HDBQFRUIQUGMCV-GHMZBOCLSA-N	1	0	287.320	-1.336	20	5		CABDRO
O=C(Cn1cc([N+](=O)[O-])cn1)NCCN1CC[NH2+]CC1	ZINC000039404426	527372926	/nfs/dbraw/zinc/37/29/26/527372926.db2.gz	GFGAZDXAZCRCJO-UHFFFAOYSA-N	1	0	282.304	-1.187	20	5		CABDRO
Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H]1C[C@@H](NC(=O)C(N)=O)C1	ZINC001022633688	656032396	/nfs/dbraw/zinc/03/23/96/656032396.db2.gz	QPSHNSFQBQRQMB-KNVOCYPGSA-N	1	0	296.287	-1.450	20	5		CABDRO
O=C1COC[C@]2(C[NH2+]CC[N+](=O)[O-])COCCN12	ZINC000905407176	656191268	/nfs/dbraw/zinc/19/12/68/656191268.db2.gz	ARGNXJKXMPHVAQ-JTQLQIEISA-N	1	0	259.262	-1.520	20	5		CABDRO
COc1ncnc(N2C[C@@H](O)[C@@H]([NH3+])C2)c1[N+](=O)[O-]	ZINC001167088631	775116178	/nfs/dbraw/zinc/11/61/78/775116178.db2.gz	CGSOSPVYEABZFP-NTSWFWBYSA-N	1	0	255.234	-1.098	20	5		CABDRO
CN(CC[NH2+]CCN1CCNC1=O)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001267371523	775236554	/nfs/dbraw/zinc/23/65/54/775236554.db2.gz	LWNHTSJSUFDHIE-NXEZZACHSA-N	1	0	299.331	-1.275	20	5		CABDRO
NC(=O)c1cc([N+](=O)[O-])cnc1-n1nnc(CC[NH3+])n1	ZINC001167788208	775359753	/nfs/dbraw/zinc/35/97/53/775359753.db2.gz	SHWNCYYJJRLZSL-UHFFFAOYSA-N	1	0	278.232	-1.434	20	5		CABDRO
[NH3+]CCc1nnn(-c2c(F)c([N+](=O)[O-])cc[n+]2[O-])n1	ZINC001167791696	775363555	/nfs/dbraw/zinc/36/35/55/775363555.db2.gz	RLYKNYWBVGLFBK-UHFFFAOYSA-N	1	0	269.196	-1.156	20	5		CABDRO
Cn1nnnc1CNC1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1	ZINC001269411660	775506980	/nfs/dbraw/zinc/50/69/80/775506980.db2.gz	PBMVZSIZMXFDFB-HTQZYQBOSA-N	1	0	295.303	-1.386	20	5		CABDRO
CC(C)NC(=O)C[NH2+]CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001126936599	775733781	/nfs/dbraw/zinc/73/37/81/775733781.db2.gz	MJPLNNQTIWBCLZ-RKDXNWHRSA-N	1	0	272.305	-1.118	20	5		CABDRO
CNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001126936292	775734740	/nfs/dbraw/zinc/73/47/40/775734740.db2.gz	FLLMMILTPWKBLX-RNFRBKRXSA-N	1	0	287.276	-2.187	20	5		CABDRO
O=C(NCC[NH2+]CCN1C(=O)CNC1=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001126938557	775738654	/nfs/dbraw/zinc/73/86/54/775738654.db2.gz	FJIKQTIMUOVFIA-HTQZYQBOSA-N	1	0	299.287	-2.091	20	5		CABDRO
O=[N+]([O-])c1c(NC[C@@H](O)CO)ncnc1N1CC[NH2+]CC1	ZINC001155643556	776506407	/nfs/dbraw/zinc/50/64/07/776506407.db2.gz	YRWCITQXPOGTAP-MRVPVSSYSA-N	1	0	298.303	-1.441	20	5		CABDRO
[NH3+]Cc1nnnn1-c1c(F)c([N+](=O)[O-])cc[n+]1[O-]	ZINC001168918706	776518245	/nfs/dbraw/zinc/51/82/45/776518245.db2.gz	KJXPSOQFLSVCLN-UHFFFAOYSA-N	1	0	255.169	-1.198	20	5		CABDRO
Cn1cc(-n2nnnc2C[NH3+])cc([N+](=O)[O-])c1=O	ZINC001168919896	776518352	/nfs/dbraw/zinc/51/83/52/776518352.db2.gz	ATPVUCFCECBJBM-UHFFFAOYSA-N	1	0	251.206	-1.272	20	5		CABDRO
NC(=O)C[C@H]([NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)C(N)=O	ZINC001169000254	776519454	/nfs/dbraw/zinc/51/94/54/776519454.db2.gz	XFQHQQXLZRGPSG-CSMHCCOUSA-N	1	0	258.278	-1.249	20	5		CABDRO
NC(=O)CNC(=O)C[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1	ZINC001169001974	776519836	/nfs/dbraw/zinc/51/98/36/776519836.db2.gz	ITFBEZOSWHSMEO-JGVFFNPUSA-N	1	0	258.278	-1.377	20	5		CABDRO
NC(=O)CNC(=O)C[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1	ZINC001169001973	776519922	/nfs/dbraw/zinc/51/99/22/776519922.db2.gz	ITFBEZOSWHSMEO-HTQZYQBOSA-N	1	0	258.278	-1.377	20	5		CABDRO
NC(=O)[C@@H](CO)Nc1ncnc(C2C[NH2+]C2)c1[N+](=O)[O-]	ZINC001169328254	776526065	/nfs/dbraw/zinc/52/60/65/776526065.db2.gz	PGPDATKRKLPZBZ-ZCFIWIBFSA-N	1	0	282.260	-1.670	20	5		CABDRO
O=[N+]([O-])c1cnc(NC(CO)(CO)CO)nc1C1C[NH2+]C1	ZINC001157155563	776560184	/nfs/dbraw/zinc/56/01/84/776560184.db2.gz	AAWRJWFJECOSBF-UHFFFAOYSA-N	1	0	299.287	-1.801	20	5		CABDRO
O=C(C[NH+]1CCCC1)NCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001292723509	778046742	/nfs/dbraw/zinc/04/67/42/778046742.db2.gz	VXFAFDDTRFRSKN-NXEZZACHSA-N	1	0	284.316	-1.020	20	5		CABDRO
O=C(Cn1cnc([N+](=O)[O-])n1)NCC[NH+]1CCC(O)CC1	ZINC001298012701	778114497	/nfs/dbraw/zinc/11/44/97/778114497.db2.gz	AMTDHBXTSFXBAQ-UHFFFAOYSA-N	1	0	298.303	-1.241	20	5		CABDRO
O=C(Cn1cnc([N+](=O)[O-])n1)N[C@H](CO)C[NH+]1CCCC1	ZINC001298751106	778124866	/nfs/dbraw/zinc/12/48/66/778124866.db2.gz	JQTYLJJDPZQVCA-VIFPVBQESA-N	1	0	298.303	-1.241	20	5		CABDRO
O=C(Cn1cnc([N+](=O)[O-])n1)N1CC([NH2+][C@H]2CCOC2)C1	ZINC001304083528	778143256	/nfs/dbraw/zinc/14/32/56/778143256.db2.gz	FIDCGVBFJICAEM-QMMMGPOBSA-N	1	0	296.287	-1.224	20	5		CABDRO
Cn1cnc([N+](=O)[O-])c1C[NH2+]CCCNC(=O)CC(N)=O	ZINC001156006580	779880609	/nfs/dbraw/zinc/88/06/09/779880609.db2.gz	QQCIQHWKYYOAFF-UHFFFAOYSA-N	1	0	298.303	-1.200	20	5		CABDRO
O=C(C[NH2+]CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])N1CCC1	ZINC001157760336	779911992	/nfs/dbraw/zinc/91/19/92/779911992.db2.gz	CQBGZIQVVSYHLH-NXEZZACHSA-N	1	0	284.316	-1.020	20	5		CABDRO
CNC(=O)C[NH2+]CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001157761617	779912558	/nfs/dbraw/zinc/91/25/58/779912558.db2.gz	UNMSXGCVCOTLLR-HTQZYQBOSA-N	1	0	258.278	-1.507	20	5		CABDRO
CCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001157767697	779913429	/nfs/dbraw/zinc/91/34/29/779913429.db2.gz	RSTMCZSUTGJONI-RKDXNWHRSA-N	1	0	272.305	-1.116	20	5		CABDRO
COc1nc(-n2nnnc2C[NH3+])nc(OC)c1[N+](=O)[O-]	ZINC001158075367	779926569	/nfs/dbraw/zinc/92/65/69/779926569.db2.gz	VXWMUSGHLIMTRK-UHFFFAOYSA-N	1	0	282.220	-1.164	20	5		CABDRO
CS(=O)(=O)N(CC[NH3+])c1c[n+]([O-])ccc1[N+](=O)[O-]	ZINC001162129032	780029938	/nfs/dbraw/zinc/02/99/38/780029938.db2.gz	PTPVSTKHSWLCAW-UHFFFAOYSA-N	1	0	276.274	-1.047	20	5		CABDRO
O=[N+]([O-])c1cnc(N2C[C@H](CO)[C@H](O)C2)nc1C1C[NH2+]C1	ZINC001164553351	780074684	/nfs/dbraw/zinc/07/46/84/780074684.db2.gz	YOIHHUHKPJHNNS-PSASIEDQSA-N	1	0	295.299	-1.139	20	5		CABDRO
Cn1cnc([N+](=O)[O-])c1C[NH2+]CCCNC(=O)C(N)=O	ZINC001165613013	780085222	/nfs/dbraw/zinc/08/52/22/780085222.db2.gz	IHPFWZNEJPEIDR-UHFFFAOYSA-N	1	0	284.276	-1.591	20	5		CABDRO
CS(=O)(=O)N(c1cc([N+](=O)[O-])cc[n+]1[O-])C1C[NH2+]C1	ZINC001166966746	780099723	/nfs/dbraw/zinc/09/97/23/780099723.db2.gz	GXERVKVATKLRPX-UHFFFAOYSA-N	1	0	288.285	-1.034	20	5		CABDRO
C[N@@H+]1CC[C@@H](OCC(=O)N2CC([N+](=O)[O-])([N+](=O)[O-])C2)C1	ZINC001224795430	780434564	/nfs/dbraw/zinc/43/45/64/780434564.db2.gz	AOUXSEJANZPMDG-MRVPVSSYSA-N	1	0	288.260	-1.201	20	5		CABDRO
C[N+](C)(C)C[C@H](O)CC(=O)Oc1c(=O)[nH]cnc1C(N)=O	ZINC001234469065	780485370	/nfs/dbraw/zinc/48/53/70/780485370.db2.gz	UJPPOKNTTHOIQP-SSDOTTSWSA-O	1	0	299.307	-1.356	20	5		CABDRO
C[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H]1CCNC1=O	ZINC001253712540	780594860	/nfs/dbraw/zinc/59/48/60/780594860.db2.gz	LORYHYWDRRQEMV-ZJUUUORDSA-N	1	0	283.288	-1.028	20	5		CABDRO
C[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H]1CCNC1=O	ZINC001253712536	780595115	/nfs/dbraw/zinc/59/51/15/780595115.db2.gz	LORYHYWDRRQEMV-UWVGGRQHSA-N	1	0	283.288	-1.028	20	5		CABDRO
CNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1	ZINC001265476367	780750784	/nfs/dbraw/zinc/75/07/84/780750784.db2.gz	BNWNCORBMMEWIA-FNCVBFRFSA-N	1	0	270.289	-1.366	20	5		CABDRO
[NH3+]CCc1nnn(-c2c[n+]([O-])ccc2[N+](=O)[O-])n1	ZINC001167791075	884066567	/nfs/dbraw/zinc/06/65/67/884066567.db2.gz	QQQDHQYTOMVLAJ-UHFFFAOYSA-N	1	0	251.206	-1.295	20	5		CABDRO
CC[N@H+](CCO)CCNC(=O)Cn1cnc([N+](=O)[O-])n1	ZINC001320328064	884414679	/nfs/dbraw/zinc/41/46/79/884414679.db2.gz	QTQWYAWZXRAGMU-UHFFFAOYSA-N	1	0	286.292	-1.383	20	5		CABDRO
NC(=O)[C@]1(O)CC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1	ZINC001321805732	884519593	/nfs/dbraw/zinc/51/95/93/884519593.db2.gz	DXEGLOUYBBNMFW-JTQLQIEISA-N	1	0	269.261	-1.287	20	5		CABDRO
NC(=O)[C@@]1(O)CC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1	ZINC001324452614	884671112	/nfs/dbraw/zinc/67/11/12/884671112.db2.gz	QQEVFSNHJUFHEH-GFCCVEGCSA-N	1	0	296.283	-1.321	20	5		CABDRO
Cn1ncc([N+](=O)[O-])c1C(=O)NCC(=O)N1CC[NH2+]CC1	ZINC001326049094	884763260	/nfs/dbraw/zinc/76/32/60/884763260.db2.gz	YVBIEUGXXJYHFG-UHFFFAOYSA-N	1	0	296.287	-1.510	20	5		CABDRO
O=C(NC1(C[NH2+]CCO)CCOCC1)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001327635010	884912179	/nfs/dbraw/zinc/91/21/79/884912179.db2.gz	PLLNCWQHSIKDBI-NXEZZACHSA-N	1	0	287.316	-1.101	20	5		CABDRO
NC(=O)[C@]1(O)CC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1	ZINC001327836877	884932329	/nfs/dbraw/zinc/93/23/29/884932329.db2.gz	YZGVABIJMGCXIB-JTQLQIEISA-N	1	0	269.261	-1.287	20	5		CABDRO
COCC[NH2+]CCNC(=O)Cn1cnc([N+](=O)[O-])n1	ZINC001328521978	884995218	/nfs/dbraw/zinc/99/52/18/884995218.db2.gz	GUTCYALXKDGWQR-UHFFFAOYSA-N	1	0	272.265	-1.462	20	5		CABDRO
Cn1ncc([N+](=O)[O-])c1C(=O)NCCN1CC[NH2+]CC1	ZINC001329300760	885089550	/nfs/dbraw/zinc/08/95/50/885089550.db2.gz	VVJHNONDICBVNF-UHFFFAOYSA-N	1	0	282.304	-1.037	20	5		CABDRO
O=C(Cn1cnc([N+](=O)[O-])n1)NCC(=O)N1CC[NH2+]CC1	ZINC001331943370	885367432	/nfs/dbraw/zinc/36/74/32/885367432.db2.gz	OSAFKOAWLZUDNG-UHFFFAOYSA-N	1	0	297.275	-2.266	20	5		CABDRO
C[NH+](C)C[C@H](CO)NC(=O)Cn1cnc([N+](=O)[O-])n1	ZINC001334410257	885541786	/nfs/dbraw/zinc/54/17/86/885541786.db2.gz	VSLPXSGIQVGADH-SSDOTTSWSA-N	1	0	272.265	-1.775	20	5		CABDRO
C[C@H]([NH3+])CN(C)C(=O)C(=O)NCCn1cc([N+](=O)[O-])cn1	ZINC001348320213	886072402	/nfs/dbraw/zinc/07/24/02/886072402.db2.gz	MEXMEYQUQRIZCC-QMMMGPOBSA-N	1	0	298.303	-1.287	20	5		CABDRO
COC(=O)[C@@H](O)C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC001349324642	886122149	/nfs/dbraw/zinc/12/21/49/886122149.db2.gz	IMUFOACBSHTTBF-IUCAKERBSA-N	1	0	288.260	-1.724	20	5		CABDRO
C[C@H]([NH3+])[C@H]1CN(C(=O)Cn2cnc([N+](=O)[O-])n2)CCO1	ZINC001349390325	886126189	/nfs/dbraw/zinc/12/61/89/886126189.db2.gz	UVSLJINAPQTJDL-JGVFFNPUSA-N	1	0	284.276	-1.239	20	5		CABDRO
C[N@H+](CCO)CCNC(=O)c1[nH]ncc1[N+](=O)[O-]	ZINC001455778918	892056874	/nfs/dbraw/zinc/05/68/74/892056874.db2.gz	GVCCEQOVOODJPE-UHFFFAOYSA-N	1	0	257.250	-1.028	20	5		CABDRO
CNC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1	ZINC001479367990	892475416	/nfs/dbraw/zinc/47/54/16/892475416.db2.gz	VGOUHBFAPRWNRM-ZYUZMQFOSA-N	1	0	284.316	-1.118	20	5		CABDRO
O=C([C@@H]1C[C@H]1[N+](=O)[O-])N(CCO)CC[NH2+]CCO	ZINC001484482742	892868848	/nfs/dbraw/zinc/86/88/48/892868848.db2.gz	UIISVEWKUACXIQ-RKDXNWHRSA-N	1	0	261.278	-1.946	20	5		CABDRO
C[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H]1COC[C@H]1O	ZINC000352789310	529961940	/nfs/dbraw/zinc/96/19/40/529961940.db2.gz	BTVHHCSHTDZGNC-GARJFASQSA-N	1	0	286.288	-1.156	20	5		CABDRO
C[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H]1COC[C@@H]1O	ZINC000352789308	529961839	/nfs/dbraw/zinc/96/18/39/529961839.db2.gz	BTVHHCSHTDZGNC-AXFHLTTASA-N	1	0	286.288	-1.156	20	5		CABDRO
CN1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)[C@@H](C[NH3+])C1	ZINC000577850939	372777742	/nfs/dbraw/zinc/77/77/42/372777742.db2.gz	UMEPCSCNPGPDLK-QMMMGPOBSA-N	1	0	283.292	-1.712	20	5		CABDRO
C[NH+](C)C[C@H](CO)NC(=O)Cn1cc([N+](=O)[O-])cn1	ZINC000588863740	372880762	/nfs/dbraw/zinc/88/07/62/372880762.db2.gz	FFDZOZJNKSMGCW-MRVPVSSYSA-N	1	0	271.277	-1.170	20	5		CABDRO
CN(CCN1CCOCC1)C(=O)Cn1cnc([N+](=O)[O-])n1	ZINC000339732586	372915044	/nfs/dbraw/zinc/91/50/44/372915044.db2.gz	ZESOZPWOEAQIQL-UHFFFAOYSA-N	1	0	298.303	-1.023	20	5		CABDRO
O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+](CCO)CCCO)c1	ZINC000075720414	372922860	/nfs/dbraw/zinc/92/28/60/372922860.db2.gz	HZTVQMFHOCNHDP-NSHDSACASA-N	1	0	288.304	-1.171	20	5		CABDRO
CN1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)[C@H](C[NH3+])C1	ZINC000563152962	373019233	/nfs/dbraw/zinc/01/92/33/373019233.db2.gz	YEFQRAIFEGPDNT-SECBINFHSA-N	1	0	282.304	-1.107	20	5		CABDRO
CC1(C(N)=O)C[NH+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1	ZINC000564917176	373020260	/nfs/dbraw/zinc/02/02/60/373020260.db2.gz	YKDQFWSAMVGWFN-SECBINFHSA-N	1	0	283.288	-1.041	20	5		CABDRO
CC1(C(N)=O)C[NH+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1	ZINC000564917177	373021051	/nfs/dbraw/zinc/02/10/51/373021051.db2.gz	YKDQFWSAMVGWFN-VIFPVBQESA-N	1	0	283.288	-1.041	20	5		CABDRO
CN(CC(=O)N1CC[NH2+]CC1)C(=O)c1cc([N+](=O)[O-])n[nH]1	ZINC000580320583	373023126	/nfs/dbraw/zinc/02/31/26/373023126.db2.gz	MORWHDOIFUCPQC-UHFFFAOYSA-N	1	0	296.287	-1.178	20	5		CABDRO
CO[C@H](C[NH3+])C(=O)NCCn1cc([N+](=O)[O-])cn1	ZINC000566101478	373023552	/nfs/dbraw/zinc/02/35/52/373023552.db2.gz	SVRRCYPJIAPCMD-MRVPVSSYSA-N	1	0	257.250	-1.119	20	5		CABDRO
C[NH+](C)C[C@H](CO)NC(=O)c1[nH]ncc1[N+](=O)[O-]	ZINC000590370206	373024722	/nfs/dbraw/zinc/02/47/22/373024722.db2.gz	VJWNEROCGUEREO-ZCFIWIBFSA-N	1	0	257.250	-1.030	20	5		CABDRO
C[NH+](C)[C@H]1CN(C(=O)Cn2ccc([N+](=O)[O-])n2)C[C@@H]1O	ZINC000590553334	373044544	/nfs/dbraw/zinc/04/45/44/373044544.db2.gz	AHCSBXSNXDAXJG-IUCAKERBSA-N	1	0	283.288	-1.075	20	5		CABDRO
NC(=O)[C@@H](O)C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-]	ZINC000592432334	373072285	/nfs/dbraw/zinc/07/22/85/373072285.db2.gz	SXKMCNIGMNJCJR-SCZZXKLOSA-N	1	0	299.283	-1.230	20	5		CABDRO
C[NH+](C)C[C@@H](CO)NC(=O)c1cc([N+](=O)[O-])n[nH]1	ZINC000597652968	373151806	/nfs/dbraw/zinc/15/18/06/373151806.db2.gz	GRKZSQMPIQPCRS-LURJTMIESA-N	1	0	257.250	-1.030	20	5		CABDRO
O=C(Cn1cc([N+](=O)[O-])ccc1=O)NC[C@H]1C[NH2+]CCO1	ZINC000567674842	373165186	/nfs/dbraw/zinc/16/51/86/373165186.db2.gz	INNGFQAKAJTWTQ-SNVBAGLBSA-N	1	0	296.283	-1.139	20	5		CABDRO
Nc1nc(NCCn2cc([N+](=O)[O-])cn2)nc(N)[nH+]1	ZINC000599062574	373166376	/nfs/dbraw/zinc/16/63/76/373166376.db2.gz	ZTJCHTSKSKQIMR-UHFFFAOYSA-N	1	0	265.237	-1.665	20	5		CABDRO
Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]2CC[NH2+]C2)n1	ZINC000599098359	373169143	/nfs/dbraw/zinc/16/91/43/373169143.db2.gz	SHONIBVKCHQDOA-ZCFIWIBFSA-N	1	0	275.290	-1.032	20	5		CABDRO
[NH3+]CCN(CCn1cc([N+](=O)[O-])cn1)C[C@@H](O)CO	ZINC000595902226	373123325	/nfs/dbraw/zinc/12/33/25/373123325.db2.gz	NNIZQZGFLZVJAN-SNVBAGLBSA-N	1	0	273.293	-1.595	20	5		CABDRO
O=C(Cn1ccc([N+](=O)[O-])n1)NCC[N@H+]1CC[C@@H](O)C1	ZINC000600530567	374136474	/nfs/dbraw/zinc/13/64/74/374136474.db2.gz	HZXADNDTKYBOIJ-SECBINFHSA-N	1	0	283.288	-1.026	20	5		CABDRO
O=C(Cn1cc([N+](=O)[O-])cn1)NCC[N@H+]1CC[C@H](O)C1	ZINC000600807618	374136965	/nfs/dbraw/zinc/13/69/65/374136965.db2.gz	JELDDLTYJWMMII-JTQLQIEISA-N	1	0	283.288	-1.026	20	5		CABDRO
[NH3+]C[C@@H]1CN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)CCO1	ZINC000358507539	252155206	/nfs/dbraw/zinc/15/52/06/252155206.db2.gz	DYMBRCNGCFCLHQ-SNVBAGLBSA-N	1	0	296.283	-1.057	20	5		CABDRO
C[C@@H](O)C[N@H+](CCO)C[C@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000351926475	533656824	/nfs/dbraw/zinc/65/68/24/533656824.db2.gz	OOVLCPJFRZSXBK-KOLCDFICSA-N	1	0	288.304	-1.173	20	5		CABDRO
Nc1nc(N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)ncc1[N+](=O)[O-]	ZINC000571178885	409744636	/nfs/dbraw/zinc/74/46/36/409744636.db2.gz	AUHGAXDQRLEMLM-RNFRBKRXSA-N	1	0	293.287	-1.285	20	5		CABDRO
Nc1nc(N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)ncc1[N+](=O)[O-]	ZINC000571178886	409744755	/nfs/dbraw/zinc/74/47/55/409744755.db2.gz	AUHGAXDQRLEMLM-RQJHMYQMSA-N	1	0	293.287	-1.285	20	5		CABDRO
Nc1nc(NCC[N@@H+]2CC[C@@H](O)C2)ncc1[N+](=O)[O-]	ZINC000599176741	409745974	/nfs/dbraw/zinc/74/59/74/409745974.db2.gz	VYEJBXOYTBCMSX-SSDOTTSWSA-N	1	0	268.277	-1.133	20	5		CABDRO
Nc1nc(N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)ncc1[N+](=O)[O-]	ZINC000571178883	409746473	/nfs/dbraw/zinc/74/64/73/409746473.db2.gz	AUHGAXDQRLEMLM-NKWVEPMBSA-N	1	0	293.287	-1.285	20	5		CABDRO
Nc1nc(N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)ncc1[N+](=O)[O-]	ZINC000571178880	409747183	/nfs/dbraw/zinc/74/71/83/409747183.db2.gz	AUHGAXDQRLEMLM-BQBZGAKWSA-N	1	0	293.287	-1.285	20	5		CABDRO
O=C1CC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCN1	ZINC000173657499	230188473	/nfs/dbraw/zinc/18/84/73/230188473.db2.gz	SNIBXFDPAGKCKG-JTQLQIEISA-N	1	0	283.288	-1.026	20	5		CABDRO
O=C1CC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCN1	ZINC000173657493	230189217	/nfs/dbraw/zinc/18/92/17/230189217.db2.gz	SNIBXFDPAGKCKG-SNVBAGLBSA-N	1	0	283.288	-1.026	20	5		CABDRO
NC(=O)[C@H](CO)[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1	ZINC000517567688	260193346	/nfs/dbraw/zinc/19/33/46/260193346.db2.gz	OJGDNXQPALQTDU-ONGXEEELSA-N	1	0	299.283	-1.230	20	5		CABDRO
CN1CC[NH2+]C[C@H]1CNC(=O)Cn1cc([N+](=O)[O-])cn1	ZINC000563617756	328077059	/nfs/dbraw/zinc/07/70/59/328077059.db2.gz	RSMSPFZOIWTAMH-VIFPVBQESA-N	1	0	282.304	-1.189	20	5		CABDRO
NC(=O)[C@@H](O)C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1	ZINC000569003202	327028648	/nfs/dbraw/zinc/02/86/48/327028648.db2.gz	KZSJYVDNLXPJRA-ONGXEEELSA-N	1	0	299.283	-1.230	20	5		CABDRO
CN1CC[NH2+]C[C@@H]1CNC(=O)c1cc([N+](=O)[O-])n[nH]1	ZINC000566211914	334636089	/nfs/dbraw/zinc/63/60/89/334636089.db2.gz	OKWSNGYMLHOYOJ-SSDOTTSWSA-N	1	0	268.277	-1.049	20	5		CABDRO
CN1CCN(C(=O)Cn2ccc([N+](=O)[O-])n2)[C@H](C[NH3+])C1	ZINC000576518278	335213594	/nfs/dbraw/zinc/21/35/94/335213594.db2.gz	XKJWHXUAWHOWPO-SECBINFHSA-N	1	0	282.304	-1.107	20	5		CABDRO
CN(C)C[C@H](CO)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000579833785	335901158	/nfs/dbraw/zinc/90/11/58/335901158.db2.gz	KEEOLPARTLOPMO-MWLCHTKSSA-N	1	0	287.320	-1.336	20	5		CABDRO
CN1C[C@@H]([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1=O	ZINC000380688538	336017550	/nfs/dbraw/zinc/01/75/50/336017550.db2.gz	LKKWANCHMRPRMQ-WPRPVWTQSA-N	1	0	283.288	-1.028	20	5		CABDRO
CN1C[C@@H]([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1=O	ZINC000380688535	336017590	/nfs/dbraw/zinc/01/75/90/336017590.db2.gz	LKKWANCHMRPRMQ-WCBMZHEXSA-N	1	0	283.288	-1.028	20	5		CABDRO
CC[N@@H+](CC(N)=O)C[C@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000191735732	527979880	/nfs/dbraw/zinc/97/98/80/527979880.db2.gz	HJVLPDGSXCWJTL-VIFPVBQESA-N	1	0	271.277	-1.041	20	5		CABDRO
C[NH+](C)CCN1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1=O	ZINC000844763015	582217153	/nfs/dbraw/zinc/21/71/53/582217153.db2.gz	UJTAHYYHTCNDLT-NXEZZACHSA-N	1	0	284.316	-1.116	20	5		CABDRO
O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC[N@@H+]2C[C@H](O)C[C@H]2C1	ZINC000848306505	582226323	/nfs/dbraw/zinc/22/63/23/582226323.db2.gz	FWLJJHYNOOEAID-SGIHWFKDSA-N	1	0	255.274	-1.071	20	5		CABDRO
O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2C[C@H](O)C[C@H](O)C2)c1	ZINC000610604293	656028228	/nfs/dbraw/zinc/02/82/28/656028228.db2.gz	MEYILIZWXBLFDB-AXFHLTTASA-N	1	0	286.288	-1.420	20	5		CABDRO
CN(C)C(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001025775852	656067855	/nfs/dbraw/zinc/06/78/55/656067855.db2.gz	OMLMHCYOMUUCOQ-GPTQDWHKSA-N	1	0	296.327	-1.214	20	5		CABDRO
NC(=O)C[NH+]1CCC(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1	ZINC001001398418	656621041	/nfs/dbraw/zinc/62/10/41/656621041.db2.gz	DOOJADFYWFCSEL-NXEZZACHSA-N	1	0	284.316	-1.035	20	5		CABDRO
C[NH+](C)C[C@](C)(O)CNC(=O)Cn1cnc([N+](=O)[O-])n1	ZINC001116364252	782894306	/nfs/dbraw/zinc/89/43/06/782894306.db2.gz	ZSQMHWOMOOIRQE-SNVBAGLBSA-N	1	0	286.292	-1.385	20	5		CABDRO
C[NH+](C)C[C@@](C)(O)CNC(=O)Cn1cnc([N+](=O)[O-])n1	ZINC001116364251	782894366	/nfs/dbraw/zinc/89/43/66/782894366.db2.gz	ZSQMHWOMOOIRQE-JTQLQIEISA-N	1	0	286.292	-1.385	20	5		CABDRO
Cn1cc(-n2nnc(CC[NH3+])n2)cc([N+](=O)[O-])c1=O	ZINC001167790158	775362109	/nfs/dbraw/zinc/36/21/09/775362109.db2.gz	AJOCCFNFKOTTJA-UHFFFAOYSA-N	1	0	265.233	-1.230	20	5		CABDRO
NC(=O)c1ccnc(-n2nnc(CC[NH3+])n2)c1[N+](=O)[O-]	ZINC001167791197	775364691	/nfs/dbraw/zinc/36/46/91/775364691.db2.gz	WUTZWJYYILODPA-UHFFFAOYSA-N	1	0	278.232	-1.434	20	5		CABDRO
CN(C)C(=O)C[NH2+]CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001126936969	775734056	/nfs/dbraw/zinc/73/40/56/775734056.db2.gz	ZDWDKZZXBRLXEN-HTQZYQBOSA-N	1	0	258.278	-1.554	20	5		CABDRO
CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001126936957	775733764	/nfs/dbraw/zinc/73/37/64/775733764.db2.gz	YODVPVMHDXMTTL-HTQZYQBOSA-N	1	0	258.278	-1.507	20	5		CABDRO
O=C(C[NH2+]CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])N1CCC1	ZINC001126943969	775744204	/nfs/dbraw/zinc/74/42/04/775744204.db2.gz	YALFNEPOENKQLM-RKDXNWHRSA-N	1	0	270.289	-1.410	20	5		CABDRO
O=C1C[C@H]([NH2+]CC[N+](=O)[O-])CN1CCN1CCOCC1	ZINC001120582238	775881983	/nfs/dbraw/zinc/88/19/83/775881983.db2.gz	GQIHJPUDHWWBAU-NSHDSACASA-N	1	0	286.332	-1.214	20	5		CABDRO
[NH3+]Cc1nc(=O)[n-]n1-c1ncnc(C2C[NH2+]C2)c1[N+](=O)[O-]	ZINC001168761053	776248252	/nfs/dbraw/zinc/24/82/52/776248252.db2.gz	XDOBZNCNMVCFCG-UHFFFAOYSA-N	1	0	292.259	-1.183	20	5		CABDRO
NC(=O)c1cc([N+](=O)[O-])cn(CCN2CC[NH2+]CC2)c1=O	ZINC001118196908	776267779	/nfs/dbraw/zinc/26/77/79/776267779.db2.gz	GUAGMJUMVSCLPG-UHFFFAOYSA-N	1	0	295.299	-1.239	20	5		CABDRO
NC(=O)c1ccnc(-n2nnnc2C[NH3+])c1[N+](=O)[O-]	ZINC001168920920	776518196	/nfs/dbraw/zinc/51/81/96/776518196.db2.gz	LEKYXYLMKGCMOY-UHFFFAOYSA-N	1	0	264.205	-1.477	20	5		CABDRO
CN(c1cc([N+](=O)[O-])cc[n+]1[O-])S(=O)(=O)CC[NH3+]	ZINC001156231940	776518809	/nfs/dbraw/zinc/51/88/09/776518809.db2.gz	RFPZKUYMKOWZLT-UHFFFAOYSA-N	1	0	276.274	-1.047	20	5		CABDRO
NC(=O)C[C@H]([NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)C(N)=O	ZINC001169000257	776519461	/nfs/dbraw/zinc/51/94/61/776519461.db2.gz	XFQHQQXLZRGPSG-RNJXMRFFSA-N	1	0	258.278	-1.249	20	5		CABDRO
O=C(Cn1cnc([N+](=O)[O-])n1)N[C@@H](CO)C[NH+]1CCCC1	ZINC001298751105	778125174	/nfs/dbraw/zinc/12/51/74/778125174.db2.gz	JQTYLJJDPZQVCA-SECBINFHSA-N	1	0	298.303	-1.241	20	5		CABDRO
Cc1n[nH]c(C(=O)NCC(=O)N2CC[NH2+]CC2)c1[N+](=O)[O-]	ZINC001118139873	779549719	/nfs/dbraw/zinc/54/97/19/779549719.db2.gz	ZWNPGRHNWHNZBJ-UHFFFAOYSA-N	1	0	296.287	-1.212	20	5		CABDRO
O=C(Cn1cnc([N+](=O)[O-])n1)N[C@@H]1[C@H]2C[NH2+]C[C@H]21	ZINC001118270243	779558917	/nfs/dbraw/zinc/55/89/17/779558917.db2.gz	ZQNAMJKEQKHRBR-BDINMYNLSA-N	1	0	252.234	-1.480	20	5		CABDRO
CN(CC[N@H+](C)CCO)C(=O)Cn1cnc([N+](=O)[O-])n1	ZINC001149205328	779774980	/nfs/dbraw/zinc/77/49/80/779774980.db2.gz	LGUMJTFFWBVWFC-UHFFFAOYSA-N	1	0	286.292	-1.431	20	5		CABDRO
CS(=O)(=O)N(CC[NH3+])c1cc([N+](=O)[O-])cc[n+]1[O-]	ZINC001154767364	779864676	/nfs/dbraw/zinc/86/46/76/779864676.db2.gz	ULHVRRMFPPSVCF-UHFFFAOYSA-N	1	0	276.274	-1.047	20	5		CABDRO
O=[N+]([O-])c1cnc(NC[C@@H](O)CO)nc1C1C[NH2+]C1	ZINC001155647857	779875591	/nfs/dbraw/zinc/87/55/91/779875591.db2.gz	IHNZQBCBHGSLDH-SSDOTTSWSA-N	1	0	269.261	-1.163	20	5		CABDRO
O=C(NCCC[NH2+]CCN1CCNC1=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001157767818	779913298	/nfs/dbraw/zinc/91/32/98/779913298.db2.gz	VXQJCUOCMCGDBI-NXEZZACHSA-N	1	0	299.331	-1.227	20	5		CABDRO
COc1nc(-n2nnnc2C[NH3+])ncc1[N+](=O)[O-]	ZINC001158074381	779924753	/nfs/dbraw/zinc/92/47/53/779924753.db2.gz	CNIJRTGSQVRHBA-UHFFFAOYSA-N	1	0	252.194	-1.172	20	5		CABDRO
Cc1c([N+](=O)[O-])cc[n+]([O-])c1-n1nnnc1C[NH3+]	ZINC001158077442	779926427	/nfs/dbraw/zinc/92/64/27/779926427.db2.gz	PWAJNCSWRQOWAV-UHFFFAOYSA-N	1	0	251.206	-1.029	20	5		CABDRO
NC(=O)[C@@H](CO)Nc1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1	ZINC001158451260	779936027	/nfs/dbraw/zinc/93/60/27/779936027.db2.gz	IFESBMOPBYGTTH-ZCFIWIBFSA-N	1	0	282.260	-1.670	20	5		CABDRO
O=[N+]([O-])c1c(NC(CO)CO)ncnc1N1CC[NH2+]CC1	ZINC001161745600	780025989	/nfs/dbraw/zinc/02/59/89/780025989.db2.gz	OIQJIUZXBMRUKJ-UHFFFAOYSA-N	1	0	298.303	-1.441	20	5		CABDRO
NC(=O)c1ccnc(N(CC[NH3+])CCO)c1[N+](=O)[O-]	ZINC001163832828	780061834	/nfs/dbraw/zinc/06/18/34/780061834.db2.gz	XEBIBZDGWFIVGW-UHFFFAOYSA-N	1	0	269.261	-1.154	20	5		CABDRO
NC(=O)c1nc(N(CC[NH3+])CCO)ccc1[N+](=O)[O-]	ZINC001163827296	780061886	/nfs/dbraw/zinc/06/18/86/780061886.db2.gz	DSLKSCWNFXASOH-UHFFFAOYSA-N	1	0	269.261	-1.154	20	5		CABDRO
CN(c1c[n+]([O-])ccc1[N+](=O)[O-])S(=O)(=O)CC[NH3+]	ZINC001164296782	780072583	/nfs/dbraw/zinc/07/25/83/780072583.db2.gz	PMLNUVOLMUGVFN-UHFFFAOYSA-N	1	0	276.274	-1.047	20	5		CABDRO
O=[N+]([O-])c1cnc(N2C[C@H](O)[C@H](CO)C2)nc1C1C[NH2+]C1	ZINC001164553354	780074532	/nfs/dbraw/zinc/07/45/32/780074532.db2.gz	YOIHHUHKPJHNNS-WPRPVWTQSA-N	1	0	295.299	-1.139	20	5		CABDRO
Nc1nc(N2CCNC(=O)C23C[NH2+]C3)ccc1[N+](=O)[O-]	ZINC001165298271	780077314	/nfs/dbraw/zinc/07/73/14/780077314.db2.gz	MDJRENWABXHRBG-UHFFFAOYSA-N	1	0	278.272	-1.150	20	5		CABDRO
Nc1cc([N+](=O)[O-])cnc1N1CCNC(=O)C12C[NH2+]C2	ZINC001165301865	780079171	/nfs/dbraw/zinc/07/91/71/780079171.db2.gz	DIVWNHUJWSEBSN-UHFFFAOYSA-N	1	0	278.272	-1.150	20	5		CABDRO
CN(C[C@H](O)CO)c1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1	ZINC001165534638	780083280	/nfs/dbraw/zinc/08/32/80/780083280.db2.gz	YECGDXUOUGCDMS-QMMMGPOBSA-N	1	0	283.288	-1.139	20	5		CABDRO
NC(=O)C[NH2+]CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1	ZINC001205224706	780105169	/nfs/dbraw/zinc/10/51/69/780105169.db2.gz	WYYGFOUBNSOCOC-NXEZZACHSA-N	1	0	284.316	-1.035	20	5		CABDRO
NC(=O)C[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1	ZINC001277055639	780437629	/nfs/dbraw/zinc/43/76/29/780437629.db2.gz	SBLOAZDEJFYWDJ-RNFRBKRXSA-N	1	0	256.262	-1.625	20	5		CABDRO
C[N+](C)(C)C[C@H](O)CC(=O)Oc1ncc(C(N)=O)cn1	ZINC001230015504	780455662	/nfs/dbraw/zinc/45/56/62/780455662.db2.gz	RQHAUUVGTNBDTP-SECBINFHSA-O	1	0	283.308	-1.062	20	5		CABDRO
O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2C[C@@H](O)[C@@H](O)C2)c1	ZINC001253346640	780591702	/nfs/dbraw/zinc/59/17/02/780591702.db2.gz	RRRATFIZDQICTB-BBBLOLIVSA-N	1	0	272.261	-1.810	20	5		CABDRO
[NH3+]C[C@@H]1CN(C(=O)Cn2cnc([N+](=O)[O-])n2)CCO1	ZINC001261495014	780667357	/nfs/dbraw/zinc/66/73/57/780667357.db2.gz	NXTLRTMFYIMJGI-SSDOTTSWSA-N	1	0	270.249	-1.628	20	5		CABDRO
O=C(NCCn1cc([N+](=O)[O-])cn1)C(=O)N[C@@H]1CC[NH2+]C1	ZINC001261820925	780687141	/nfs/dbraw/zinc/68/71/41/780687141.db2.gz	MISGVVLRTBRRJI-MRVPVSSYSA-N	1	0	296.287	-1.614	20	5		CABDRO
O=C(N[C@H]1C[C@H]([NH2+]CCOCCO)C1)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001265476866	780751584	/nfs/dbraw/zinc/75/15/84/780751584.db2.gz	SUVYQWLZWCQBBQ-GWOFURMSSA-N	1	0	287.316	-1.103	20	5		CABDRO