smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cn1nnc(CN[C@H]2C[C@@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)n1	ZINC001022063744	884012475	/nfs/dbraw/zinc/01/24/75/884012475.db2.gz	KVAPYKFFAVVCJM-BZNPZCIMSA-N	0	1	295.303	-1.388	20	5		CABDMN
CC(C)NC(=O)CN1CC(NC(=O)[C@@H]2CC2[N+](=O)[O-])C1	ZINC001318020565	884248154	/nfs/dbraw/zinc/24/81/54/884248154.db2.gz	UQHHKLSQNNWGFV-NXEZZACHSA-N	0	1	284.316	-1.023	20	5		CABDMN
CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(CC(=O)NC(N)=O)C1	ZINC001323921974	884641402	/nfs/dbraw/zinc/64/14/02/884641402.db2.gz	WVYBLWHRNCCGBY-HTQZYQBOSA-N	0	1	299.287	-2.011	20	5		CABDMN
NCc1nnnn1CCn1cc([N+](=O)[O-])ccc1=O	ZINC001326052058	884763100	/nfs/dbraw/zinc/76/31/00/884763100.db2.gz	KWUINOVBPJLUIR-UHFFFAOYSA-N	0	1	265.233	-1.098	20	5		CABDMN
NS(=O)(=O)NC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1	ZINC001331827074	885350562	/nfs/dbraw/zinc/35/05/62/885350562.db2.gz	OOJPWTDJEBBFSK-HTQZYQBOSA-N	0	1	292.317	-1.564	20	5		CABDMN
Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCCO)n1	ZINC001348136449	886065027	/nfs/dbraw/zinc/06/50/27/886065027.db2.gz	PTSLHPQWCSNJLZ-UHFFFAOYSA-N	0	1	250.236	-1.401	20	5		CABDMN
COC[C@H](O)CNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-]	ZINC001351374756	886208109	/nfs/dbraw/zinc/20/81/09/886208109.db2.gz	PYMRNVKPBWJXFH-ZCFIWIBFSA-N	0	1	294.289	-1.386	20	5		CABDMN
COC[C@H](CO)NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-]	ZINC001351373838	886209486	/nfs/dbraw/zinc/20/94/86/886209486.db2.gz	KGXHLNYJNIMPAE-LURJTMIESA-N	0	1	294.289	-1.386	20	5		CABDMN
CNC(=O)NCC(=O)N1CC(NC(=O)[C@@H]2CC2[N+](=O)[O-])C1	ZINC001356758274	886377866	/nfs/dbraw/zinc/37/78/66/886377866.db2.gz	HGUHUOFKBZNYDX-HTQZYQBOSA-N	0	1	299.287	-2.092	20	5		CABDMN
NS(=O)(=O)[C@H]1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1	ZINC001446245173	891669820	/nfs/dbraw/zinc/66/98/20/891669820.db2.gz	QAZJLNHACAZHKM-XLPZGREQSA-N	0	1	277.302	-1.069	20	5		CABDMN
Cn1cnnc1[C@H](CO)NC(=O)[C@@H]1CC1[N+](=O)[O-]	ZINC001453820519	891982804	/nfs/dbraw/zinc/98/28/04/891982804.db2.gz	DFCRHQKPXCHSFA-DSYKOEDSSA-N	0	1	255.234	-1.370	20	5		CABDMN
CS(=O)(=O)CCOCCNC(=O)[C@@H]1CC1[N+](=O)[O-]	ZINC001456527659	892078138	/nfs/dbraw/zinc/07/81/38/892078138.db2.gz	XLNNIVHJEWWVOM-HTQZYQBOSA-N	0	1	280.302	-1.171	20	5		CABDMN
CNC(=O)[C@H]1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])CCO1	ZINC001466781800	892231288	/nfs/dbraw/zinc/23/12/88/892231288.db2.gz	IZPLCSAGCAMWLP-BWZBUEFSSA-N	0	1	257.246	-1.375	20	5		CABDMN
O=C([C@@H]1CC1[N+](=O)[O-])N1CCS(=O)(=O)C[C@H]1CCO	ZINC001471971691	892378763	/nfs/dbraw/zinc/37/87/63/892378763.db2.gz	BYKVRWCRUSLWPO-IWSPIJDZSA-N	0	1	292.313	-1.340	20	5		CABDMN
NC(=O)CN1CC(O)(CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1	ZINC001484272851	892834920	/nfs/dbraw/zinc/83/49/20/892834920.db2.gz	MREVJQRZBYHYMJ-RNFRBKRXSA-N	0	1	272.261	-2.700	20	5		CABDMN
O=C(NCCNC(=O)[C@@H]1CC1[N+](=O)[O-])C1=COCCO1	ZINC001491084086	893236796	/nfs/dbraw/zinc/23/67/96/893236796.db2.gz	FXZMOXYKBNMDNF-HTQZYQBOSA-N	0	1	285.256	-1.228	20	5		CABDMN
CC(=O)N(C)CC(=O)NCCNC(=O)[C@@H]1CC1[N+](=O)[O-]	ZINC001491123875	893240435	/nfs/dbraw/zinc/24/04/35/893240435.db2.gz	OIRHYJXEZHSYKC-RKDXNWHRSA-N	0	1	286.288	-1.638	20	5		CABDMN
CCn1cc(C(=O)NCCNC(=O)[C@@H]2CC2[N+](=O)[O-])nn1	ZINC001491284909	893260146	/nfs/dbraw/zinc/26/01/46/893260146.db2.gz	ZSHPDDBETREGHB-VXNVDRBHSA-N	0	1	296.287	-1.191	20	5		CABDMN
CN(CCNCc1c([N+](=O)[O-])ncn1C)C(=O)CC(N)=O	ZINC001493502471	893399315	/nfs/dbraw/zinc/39/93/15/893399315.db2.gz	DRVKLGWOMWPAEW-UHFFFAOYSA-N	0	1	298.303	-1.248	20	5		CABDMN
CN(CCNC(=O)c1cnnn1C)C(=O)[C@@H]1CC1[N+](=O)[O-]	ZINC001495987300	893499259	/nfs/dbraw/zinc/49/92/59/893499259.db2.gz	YELLYFOGGPDENS-HTQZYQBOSA-N	0	1	296.287	-1.332	20	5		CABDMN
Cn1nnnc1CNC/C=C\CNC(=O)[C@@H]1CC1[N+](=O)[O-]	ZINC001497585112	893622657	/nfs/dbraw/zinc/62/26/57/893622657.db2.gz	SSKCSRGLEYIWGY-BNEREYBLSA-N	0	1	295.303	-1.363	20	5		CABDMN
COCCC(=O)NCCNC(=O)[C@@H]1CC1[N+](=O)[O-]	ZINC001522479935	894219582	/nfs/dbraw/zinc/21/95/82/894219582.db2.gz	HBRNMFQSMZCSHR-HTQZYQBOSA-N	0	1	259.262	-1.080	20	5		CABDMN
CCn1ncc(C(=O)NCCNC(=O)[C@@H]2CC2[N+](=O)[O-])n1	ZINC001522618922	894241113	/nfs/dbraw/zinc/24/11/13/894241113.db2.gz	MLHMWZNEIXUYQN-VXNVDRBHSA-N	0	1	296.287	-1.191	20	5		CABDMN
Cn1ncc(C(=O)NCCCNC(=O)[C@@H]2CC2[N+](=O)[O-])n1	ZINC001522901336	894258190	/nfs/dbraw/zinc/25/81/90/894258190.db2.gz	IGZFQXMHKWSSGC-VXNVDRBHSA-N	0	1	296.287	-1.284	20	5		CABDMN
CN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)c1cn(C)nn1	ZINC001528111507	894324336	/nfs/dbraw/zinc/32/43/36/894324336.db2.gz	SVXYZRYHMXUVPZ-VXNVDRBHSA-N	0	1	296.287	-1.332	20	5		CABDMN
CN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)c1cn[nH]n1	ZINC001528110317	894324630	/nfs/dbraw/zinc/32/46/30/894324630.db2.gz	HXTDGBSTUPEHSS-HTRCEHHLSA-N	0	1	282.260	-1.342	20	5		CABDMN
CC(=O)N(C)CC(=O)N1CC(NC(=O)[C@@H]2CC2[N+](=O)[O-])C1	ZINC001530431518	894360993	/nfs/dbraw/zinc/36/09/93/894360993.db2.gz	SPIUSPDKQCIMBR-NXEZZACHSA-N	0	1	298.299	-1.543	20	5		CABDMN
Cn1nnnc1CCCNC(=O)[C@@H]1CC1[N+](=O)[O-]	ZINC001537666907	894447321	/nfs/dbraw/zinc/44/73/21/894447321.db2.gz	BZTUVZCVJRRNBM-RNFRBKRXSA-N	0	1	254.250	-1.076	20	5		CABDMN
CO[C@]1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCS(=O)(=O)C1	ZINC001538274024	894450948	/nfs/dbraw/zinc/45/09/48/894450948.db2.gz	IUCRDRLRLNZLQW-MRTMQBJTSA-N	0	1	292.313	-1.029	20	5		CABDMN
NS(=O)(=O)C[C@H]1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1	ZINC001539119371	894451191	/nfs/dbraw/zinc/45/11/91/894451191.db2.gz	WAKGHRGFPHHKSU-XLPZGREQSA-N	0	1	277.302	-1.211	20	5		CABDMN
COC(=O)[C@H]1CN(C)C(=O)CN1C(=O)[C@@H]1CC1[N+](=O)[O-]	ZINC001538931392	894451692	/nfs/dbraw/zinc/45/16/92/894451692.db2.gz	GGKIYPXBTRZSGJ-BWZBUEFSSA-N	0	1	285.256	-1.506	20	5		CABDMN
NS(=O)(=O)C[C@@H]1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1	ZINC001539119365	894451915	/nfs/dbraw/zinc/45/19/15/894451915.db2.gz	WAKGHRGFPHHKSU-BWZBUEFSSA-N	0	1	277.302	-1.211	20	5		CABDMN
C[C@H]1C(=O)N(NC(=O)[C@@H]2CC2[N+](=O)[O-])C(=O)N1C	ZINC001557575840	894601644	/nfs/dbraw/zinc/60/16/44/894601644.db2.gz	GLBAMRONEMVRSK-KVQBGUIXSA-N	0	1	256.218	-1.035	20	5		CABDMN
CC(CO)(CO)Cn1cc([N+](=O)[O-])c(-c2nn[nH]n2)n1	ZINC001575177858	952404266	/nfs/dbraw/zinc/40/42/66/952404266.db2.gz	NHERNYRGYNTPDR-UHFFFAOYSA-N	0	1	283.248	-1.038	20	5		CABDMN
CNC(=O)C1CN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1	ZINC000184788137	529843953	/nfs/dbraw/zinc/84/39/53/529843953.db2.gz	CXLWJTSGESDELS-JTQLQIEISA-N	0	1	283.288	-1.170	20	5		CABDMN
O=C(NCCN1CCNC(=O)C1)c1n[nH]cc1[N+](=O)[O-]	ZINC000358533174	372788416	/nfs/dbraw/zinc/78/84/16/372788416.db2.gz	JUAHRGZGJZIPPI-UHFFFAOYSA-N	0	1	282.260	-1.521	20	5		CABDMN
O=[N+]([O-])c1cccnc1S(=O)(=O)NCCn1ncnn1	ZINC000594758590	373105700	/nfs/dbraw/zinc/10/57/00/373105700.db2.gz	HFXUIPRZAYSWSW-UHFFFAOYSA-N	0	1	299.272	-1.045	20	5		CABDMN
C[C@@H](O)CNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-]	ZINC000599239846	373172371	/nfs/dbraw/zinc/17/23/71/373172371.db2.gz	SHRCTDSVQHLIIK-RXMQYKEDSA-N	0	1	264.263	-1.013	20	5		CABDMN
C[C@H]([NH3+])C[N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-]	ZINC000599104654	373168918	/nfs/dbraw/zinc/16/89/18/373168918.db2.gz	FYABBCNCDMOTOY-YFKPBYRVSA-N	0	1	263.279	-1.046	20	5		CABDMN
C[NH2+]CC[N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-]	ZINC000599098860	373170054	/nfs/dbraw/zinc/17/00/54/373170054.db2.gz	ZQBGSTLCTPCJPL-UHFFFAOYSA-N	0	1	263.279	-1.174	20	5		CABDMN
C[C@@H](CO)NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-]	ZINC000599250018	373170626	/nfs/dbraw/zinc/17/06/26/373170626.db2.gz	ZDRHVZTWAFERIH-YFKPBYRVSA-N	0	1	264.263	-1.013	20	5		CABDMN
CN(C)C(=O)CNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-]	ZINC000599204702	373170689	/nfs/dbraw/zinc/17/06/89/373170689.db2.gz	FNDXYUCSZHKDMB-UHFFFAOYSA-N	0	1	291.289	-1.305	20	5		CABDMN
C[C@H](CO)NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-]	ZINC000599240508	373171442	/nfs/dbraw/zinc/17/14/42/373171442.db2.gz	ZDRHVZTWAFERIH-RXMQYKEDSA-N	0	1	264.263	-1.013	20	5		CABDMN
C[C@H](O)CNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-]	ZINC000599239847	373171503	/nfs/dbraw/zinc/17/15/03/373171503.db2.gz	SHRCTDSVQHLIIK-YFKPBYRVSA-N	0	1	264.263	-1.013	20	5		CABDMN
Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]2COC[C@H]2O)n1	ZINC000599320095	373173858	/nfs/dbraw/zinc/17/38/58/373173858.db2.gz	BJYNAVBJPPMSAI-IYSWYEEDSA-N	0	1	292.273	-1.634	20	5		CABDMN
O=C(Cn1cc([N+](=O)[O-])cn1)NCCN1CC[C@@H](O)C1	ZINC000600530710	374136235	/nfs/dbraw/zinc/13/62/35/374136235.db2.gz	JELDDLTYJWMMII-SNVBAGLBSA-N	0	1	283.288	-1.026	20	5		CABDMN
NC(=O)CN1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1	ZINC000363822370	252181964	/nfs/dbraw/zinc/18/19/64/252181964.db2.gz	RBGZUBZCMLZYMR-RKDXNWHRSA-N	0	1	270.289	-1.329	20	5		CABDMN
CNC(=O)CN1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1	ZINC000368831289	252188775	/nfs/dbraw/zinc/18/87/75/252188775.db2.gz	VWXKGYGBGUMCGV-NXEZZACHSA-N	0	1	284.316	-1.068	20	5		CABDMN
Nc1nc(NCCN2CC[C@H](O)C2)ncc1[N+](=O)[O-]	ZINC000599200082	409746734	/nfs/dbraw/zinc/74/67/34/409746734.db2.gz	VYEJBXOYTBCMSX-ZETCQYMHSA-N	0	1	268.277	-1.133	20	5		CABDMN
Cn1nnc(CNC/C=C/CNC(=O)[C@@H]2CC2[N+](=O)[O-])n1	ZINC001274017668	782130254	/nfs/dbraw/zinc/13/02/54/782130254.db2.gz	USCVOIISZOYMGQ-KHVQUVQLSA-N	0	1	295.303	-1.363	20	5		CABDMN
CC(=O)N1CC(C(=O)NCCNC(=O)[C@@H]2CC2[N+](=O)[O-])C1	ZINC001292681900	782157787	/nfs/dbraw/zinc/15/77/87/782157787.db2.gz	VZIOWAVETKYQBD-NXEZZACHSA-N	0	1	298.299	-1.638	20	5		CABDMN
O=C(NCCNC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccn[nH]1	ZINC000839722528	582145539	/nfs/dbraw/zinc/14/55/39/582145539.db2.gz	YLHFQAJTXJGNJI-HTRCEHHLSA-N	0	1	267.245	-1.079	20	5		CABDMN
CS(=O)(=O)NC1CC(NC(=O)[C@@H]2CC2[N+](=O)[O-])C1	ZINC000839759008	582145561	/nfs/dbraw/zinc/14/55/61/582145561.db2.gz	HNSWBKBVZMJAIK-DWYQZRHDSA-N	0	1	277.302	-1.152	20	5		CABDMN
CCOC(=O)C(=O)N1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1	ZINC000839684133	582145568	/nfs/dbraw/zinc/14/55/68/582145568.db2.gz	HQWOCONBBPZVBF-RKDXNWHRSA-N	0	1	299.283	-1.115	20	5		CABDMN
CN(C)C(=O)COC1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1	ZINC000839697937	582145572	/nfs/dbraw/zinc/14/55/72/582145572.db2.gz	KCRDZZIAZCOALJ-RKDXNWHRSA-N	0	1	271.273	-1.033	20	5		CABDMN
COC(=O)CN1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1	ZINC000839728144	582145580	/nfs/dbraw/zinc/14/55/80/582145580.db2.gz	HJZFJCPQFQPMQI-RKDXNWHRSA-N	0	1	271.273	-1.031	20	5		CABDMN
O=C([C@@H]1CC1[N+](=O)[O-])N(CCO)CCN1CCOCC1	ZINC000839715119	582145593	/nfs/dbraw/zinc/14/55/93/582145593.db2.gz	NZUFZYSXYACIFI-GHMZBOCLSA-N	0	1	287.316	-1.195	20	5		CABDMN
O=C(NC[C@H]1CN2CCN1CC2)[C@@H]1CC1[N+](=O)[O-]	ZINC000839710816	582145606	/nfs/dbraw/zinc/14/56/06/582145606.db2.gz	VLXCMQQDLQKQHE-IVZWLZJFSA-N	0	1	254.290	-1.232	20	5		CABDMN
CS(=O)(=O)N1CC[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1	ZINC000844823996	582217267	/nfs/dbraw/zinc/21/72/67/582217267.db2.gz	YRFMUAZXGVXAAR-BWZBUEFSSA-N	0	1	277.302	-1.198	20	5		CABDMN
O=[N+]([O-])c1cccnc1S(=O)(=O)NCCn1cnnn1	ZINC000849402344	582227753	/nfs/dbraw/zinc/22/77/53/582227753.db2.gz	ZDGGNPSKOHBHLA-UHFFFAOYSA-N	0	1	299.272	-1.045	20	5		CABDMN
C[C@@H](C[NH3+])[N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-]	ZINC000858611949	582240400	/nfs/dbraw/zinc/24/04/00/582240400.db2.gz	PHEBTVVLAVFMOE-YFKPBYRVSA-N	0	1	263.279	-1.046	20	5		CABDMN
O=C(NN1CCS(=O)(=O)CC1)[C@@H]1CC1[N+](=O)[O-]	ZINC000862730448	582247240	/nfs/dbraw/zinc/24/72/40/582247240.db2.gz	MNRIMSJQIUKJAY-RNFRBKRXSA-N	0	1	263.275	-1.587	20	5		CABDMN
COC(=O)CCNC(=O)CCNC(=O)[C@@H]1CC1[N+](=O)[O-]	ZINC000863156044	582248098	/nfs/dbraw/zinc/24/80/98/582248098.db2.gz	JDCBHDUYLJILNY-HTQZYQBOSA-N	0	1	287.272	-1.163	20	5		CABDMN
CNS(=O)(=O)CCCNC(=O)[C@@H]1CC1[N+](=O)[O-]	ZINC000863430122	582248654	/nfs/dbraw/zinc/24/86/54/582248654.db2.gz	RHBDZOIQMLRNKH-RNFRBKRXSA-N	0	1	265.291	-1.293	20	5		CABDMN
NC(=O)C[C@H]1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])CCO1	ZINC000863484262	582248798	/nfs/dbraw/zinc/24/87/98/582248798.db2.gz	UZTVOYYDQLPIBR-XLPZGREQSA-N	0	1	257.246	-1.246	20	5		CABDMN
CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(C(=O)C(N)=O)C1	ZINC000954240156	615867219	/nfs/dbraw/zinc/86/72/19/615867219.db2.gz	XWCBICFWVWZUTB-RNFRBKRXSA-N	0	1	270.245	-2.194	20	5		CABDMN
CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CCN(C(=O)C(N)=O)CC1	ZINC000953928889	615867389	/nfs/dbraw/zinc/86/73/89/615867389.db2.gz	NVDGHXAONVJGQP-RKDXNWHRSA-N	0	1	298.299	-1.414	20	5		CABDMN
CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(C(=O)c2cn[nH]n2)C1	ZINC000954243012	615867419	/nfs/dbraw/zinc/86/74/19/615867419.db2.gz	XWMOGQIYWIDESC-VXNVDRBHSA-N	0	1	294.271	-1.247	20	5		CABDMN
CN(C(=O)c1cn[nH]n1)C1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1	ZINC000954722308	615930624	/nfs/dbraw/zinc/93/06/24/615930624.db2.gz	MQQFHZMOTNCTQS-VXNVDRBHSA-N	0	1	294.271	-1.247	20	5		CABDMN
NC(=O)C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@H]21	ZINC000977078938	656087145	/nfs/dbraw/zinc/08/71/45/656087145.db2.gz	ILQYNADEFHDOMV-CBQIKETKSA-N	0	1	282.256	-2.290	20	5		CABDMN
NC(=O)C(=O)N[C@H]1C[C@@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1	ZINC000978796257	656093509	/nfs/dbraw/zinc/09/35/09/656093509.db2.gz	RMUSQMURNJHURR-ULAWRXDQSA-N	0	1	284.272	-1.852	20	5		CABDMN
O=C(Cn1cccn1)NC1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1	ZINC000990233640	656156811	/nfs/dbraw/zinc/15/68/11/656156811.db2.gz	HDRYVZIDOUGYMG-NXEZZACHSA-N	0	1	293.283	-1.125	20	5		CABDMN
NC(=O)CC(=O)N1CC(NC(=O)[C@@H]2CC2[N+](=O)[O-])C1	ZINC000991279121	656229647	/nfs/dbraw/zinc/22/96/47/656229647.db2.gz	JFRXRECRHMIAFX-RNFRBKRXSA-N	0	1	270.245	-2.146	20	5		CABDMN
O=C(NC1CN(C(=O)c2cn[nH]n2)C1)[C@@H]1CC1[N+](=O)[O-]	ZINC000991288009	656230158	/nfs/dbraw/zinc/23/01/58/656230158.db2.gz	NFVIZAIUUIWQMP-HTRCEHHLSA-N	0	1	280.244	-1.590	20	5		CABDMN
Cc1n[nH]nc1C(=O)N1CC(NC(=O)[C@@H]2CC2[N+](=O)[O-])C1	ZINC000991289289	656230639	/nfs/dbraw/zinc/23/06/39/656230639.db2.gz	YEMBEQUVYMLEBN-HTQZYQBOSA-N	0	1	294.271	-1.281	20	5		CABDMN
Cc1nn[nH]c1C(=O)N1CC(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1	ZINC000991289289	656230642	/nfs/dbraw/zinc/23/06/42/656230642.db2.gz	YEMBEQUVYMLEBN-HTQZYQBOSA-N	0	1	294.271	-1.281	20	5		CABDMN
Cn1cc(C(=O)N2CC(NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)nn1	ZINC000991299776	656233654	/nfs/dbraw/zinc/23/36/54/656233654.db2.gz	WJXCNLIUTAOPQG-VXNVDRBHSA-N	0	1	294.271	-1.579	20	5		CABDMN
O=C(NC1CN(Cc2n[nH]c(=O)[n-]2)C1)[C@@H]1CC1[N+](=O)[O-]	ZINC001030292290	656302436	/nfs/dbraw/zinc/30/24/36/656302436.db2.gz	BEFJMHLUSFMCMG-RNFRBKRXSA-N	0	1	282.260	-1.524	20	5		CABDMN
O=C(NC1CN(CCn2cncn2)C1)[C@@H]1CC1[N+](=O)[O-]	ZINC001030293692	656302474	/nfs/dbraw/zinc/30/24/74/656302474.db2.gz	PBSGKWJUSBBLJK-NXEZZACHSA-N	0	1	280.288	-1.256	20	5		CABDMN
NC(=O)CC(=O)N1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1	ZINC000940550054	656403070	/nfs/dbraw/zinc/40/30/70/656403070.db2.gz	QSJQGKDIUVDFCQ-RKDXNWHRSA-N	0	1	298.299	-1.412	20	5		CABDMN
NC(=O)C(=O)N[C@H]1CC[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1	ZINC000943699403	656465548	/nfs/dbraw/zinc/46/55/48/656465548.db2.gz	INNVNUVTYXGUQC-FNCVBFRFSA-N	0	1	298.299	-1.320	20	5		CABDMN
Cn1nnc(C(=O)NC2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)n1	ZINC000997865321	656521325	/nfs/dbraw/zinc/52/13/25/656521325.db2.gz	UITFJKDSMKQDHX-RNFRBKRXSA-N	0	1	295.259	-2.184	20	5		CABDMN
O=C(Cn1cncn1)NC1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1	ZINC001000102354	656595191	/nfs/dbraw/zinc/59/51/91/656595191.db2.gz	LFAIHEJYDUSCLD-RKDXNWHRSA-N	0	1	294.271	-1.730	20	5		CABDMN
O=C(NCC1CN(C(=O)c2cn[nH]n2)C1)[C@@H]1CC1[N+](=O)[O-]	ZINC001001798728	656626737	/nfs/dbraw/zinc/62/67/37/656626737.db2.gz	HGBQUSDVCLRZBN-VXNVDRBHSA-N	0	1	294.271	-1.342	20	5		CABDMN
NC(=O)C(=O)N1CCC(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1	ZINC000949374706	656877484	/nfs/dbraw/zinc/87/74/84/656877484.db2.gz	RKQKIKZIGDFSAW-RKDXNWHRSA-N	0	1	298.299	-1.508	20	5		CABDMN
NC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC1[N+](=O)[O-]	ZINC000969003864	657060861	/nfs/dbraw/zinc/06/08/61/657060861.db2.gz	VIJVRXAWCYTRPF-BZNPZCIMSA-N	0	1	296.283	-1.661	20	5		CABDMN
NC(=O)C(=O)N1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1	ZINC001011115709	657105946	/nfs/dbraw/zinc/10/59/46/657105946.db2.gz	ROAMAMWHXIGPGR-RNFRBKRXSA-N	0	1	270.245	-2.192	20	5		CABDMN
NC(=O)C(=O)N1CC2(C1)CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C2	ZINC001019355107	657266252	/nfs/dbraw/zinc/26/62/52/657266252.db2.gz	JEENAHBRACBCBR-HTQZYQBOSA-N	0	1	296.283	-1.802	20	5		CABDMN
CC(C)C(=O)NCC1(O)CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1	ZINC001041526569	782310899	/nfs/dbraw/zinc/31/08/99/782310899.db2.gz	XPQJTBQWONFGTR-RKDXNWHRSA-N	0	1	285.300	-1.003	20	5		CABDMN
O=C(NCC1(O)CN(C(=O)C2CC2)C1)[C@@H]1CC1[N+](=O)[O-]	ZINC001042976826	782352872	/nfs/dbraw/zinc/35/28/72/782352872.db2.gz	VZCSDTPHJJBZHG-RKDXNWHRSA-N	0	1	283.284	-1.249	20	5		CABDMN
CCC(=O)N1CC(O)(CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1	ZINC001042976692	782353298	/nfs/dbraw/zinc/35/32/98/782353298.db2.gz	OVTYMKCCSWXVBI-HTQZYQBOSA-N	0	1	271.273	-1.249	20	5		CABDMN
NC(=O)CN1CC2(C1)CN(C(=O)[C@@H]1CC1[N+](=O)[O-])CCO2	ZINC001053253706	782563253	/nfs/dbraw/zinc/56/32/53/782563253.db2.gz	VSTJLIFDFDVCDM-RKDXNWHRSA-N	0	1	298.299	-1.950	20	5		CABDMN
Cn1cc(CNC(=O)[C@@H]2CC2[N+](=O)[O-])c(=O)[nH]c1=O	ZINC001152615645	779826960	/nfs/dbraw/zinc/82/69/60/779826960.db2.gz	YZJOHGDTCKBIAU-RNFRBKRXSA-N	0	1	268.229	-1.233	20	5		CABDMN
NC(=O)CN1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1	ZINC001261281491	780662036	/nfs/dbraw/zinc/66/20/36/780662036.db2.gz	CBHHDGFELVFYER-HTQZYQBOSA-N	0	1	256.262	-1.719	20	5		CABDMN
NC(=O)C(=O)NCCN(CCO)C(=O)[C@@H]1CC1[N+](=O)[O-]	ZINC001057544800	782670496	/nfs/dbraw/zinc/67/04/96/782670496.db2.gz	KZXFPUKNAHLIFC-RNFRBKRXSA-N	0	1	288.260	-2.926	20	5		CABDMN
O=C(NCCN(CCO)C(=O)[C@@H]1CC1[N+](=O)[O-])C(F)F	ZINC001057543436	782671171	/nfs/dbraw/zinc/67/11/71/782671171.db2.gz	IWAYBVPGCYCMGB-RNFRBKRXSA-N	0	1	295.242	-1.146	20	5		CABDMN
CN(CC(N)=O)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC001116150883	782888102	/nfs/dbraw/zinc/88/81/02/782888102.db2.gz	ZSVTVQGEJLEKPO-MRVPVSSYSA-N	0	1	257.250	-1.431	20	5		CABDMN
CN(CC(N)=O)C[C@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC001116150884	782888597	/nfs/dbraw/zinc/88/85/97/782888597.db2.gz	ZSVTVQGEJLEKPO-QMMMGPOBSA-N	0	1	257.250	-1.431	20	5		CABDMN
CCN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])CC(=O)NC	ZINC001266391046	775128402	/nfs/dbraw/zinc/12/84/02/775128402.db2.gz	XBPYEGLXJZBMBV-RKDXNWHRSA-N	0	1	272.305	-1.164	20	5		CABDMN
Cn1nnnc1CNCCNC(=O)[C@@H]1CC1[N+](=O)[O-]	ZINC001126931894	775732287	/nfs/dbraw/zinc/73/22/87/775732287.db2.gz	DQDAGOVGECQUKH-RNFRBKRXSA-N	0	1	269.265	-1.919	20	5		CABDMN
Cn1nnc(CNCCNC(=O)[C@@H]2CC2[N+](=O)[O-])n1	ZINC001126932233	775732463	/nfs/dbraw/zinc/73/24/63/775732463.db2.gz	NQACEYCMLISBIO-RNFRBKRXSA-N	0	1	269.265	-1.919	20	5		CABDMN
Cn1cnnc1CNCCNC(=O)[C@@H]1CC1[N+](=O)[O-]	ZINC001126932420	775732495	/nfs/dbraw/zinc/73/24/95/775732495.db2.gz	WTSPDNHNPZSFHI-HTQZYQBOSA-N	0	1	268.277	-1.314	20	5		CABDMN
Cn1cc(CNCCNC(=O)[C@@H]2CC2[N+](=O)[O-])nn1	ZINC001126936239	775733545	/nfs/dbraw/zinc/73/35/45/775733545.db2.gz	CFNZZLCBNRFDPR-RKDXNWHRSA-N	0	1	268.277	-1.314	20	5		CABDMN
CCCn1nnnc1CNCCNC(=O)[C@@H]1CC1[N+](=O)[O-]	ZINC001126939210	775738193	/nfs/dbraw/zinc/73/81/93/775738193.db2.gz	RWKPZUNNMBVRHF-RKDXNWHRSA-N	0	1	297.319	-1.046	20	5		CABDMN
O=C1C[C@@H](NCC[N+](=O)[O-])CN1CCN1CCOCC1	ZINC001120582237	775880846	/nfs/dbraw/zinc/88/08/46/775880846.db2.gz	GQIHJPUDHWWBAU-LLVKDONJSA-N	0	1	286.332	-1.214	20	5		CABDMN
O=C([C@@H]1CC1[N+](=O)[O-])N1CCN2CCOC[C@@]2(CO)C1	ZINC001156866010	776552234	/nfs/dbraw/zinc/55/22/34/776552234.db2.gz	BNFLUFLTMVOCEL-FOGDFJRCSA-N	0	1	285.300	-1.443	20	5		CABDMN
NC(=O)NC(=O)CN1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1	ZINC001112835976	776572144	/nfs/dbraw/zinc/57/21/44/776572144.db2.gz	WKRYQLXNBBZIJS-HTQZYQBOSA-N	0	1	299.287	-2.009	20	5		CABDMN
NC(=O)CC(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@H]21	ZINC001284150519	777929610	/nfs/dbraw/zinc/92/96/10/777929610.db2.gz	CKEBVCVGUAVVBC-NFQFAKNOSA-N	0	1	296.283	-1.900	20	5		CABDMN
NC(=O)CC(=O)NC1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1	ZINC001284892800	777958363	/nfs/dbraw/zinc/95/83/63/777958363.db2.gz	JZXUSLUOFSWFPR-RNFRBKRXSA-N	0	1	270.245	-2.146	20	5		CABDMN
CNC(=O)CC(=O)NC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1	ZINC001285923321	777994275	/nfs/dbraw/zinc/99/42/75/777994275.db2.gz	FMTNJNRQDWNJIZ-HTQZYQBOSA-N	0	1	298.299	-1.447	20	5		CABDMN
O=C(Cn1cccn1)NCCNC(=O)[C@@H]1CC1[N+](=O)[O-]	ZINC001292500606	778036451	/nfs/dbraw/zinc/03/64/51/778036451.db2.gz	RLLMNYYOBQMQST-RKDXNWHRSA-N	0	1	281.272	-1.219	20	5		CABDMN
CN(C[C@@H](O)CN1CCOCC1)C(=O)[C@@H]1CC1[N+](=O)[O-]	ZINC001294447292	778065517	/nfs/dbraw/zinc/06/55/17/778065517.db2.gz	MCYBXRULPHXQIZ-GMTAPVOTSA-N	0	1	287.316	-1.197	20	5		CABDMN
Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H]2CCNC2=O)n1	ZINC001118872446	779592939	/nfs/dbraw/zinc/59/29/39/779592939.db2.gz	BFMDHHAVLZOACM-YFKPBYRVSA-N	0	1	289.273	-1.505	20	5		CABDMN
O=C(Cn1cnc([N+](=O)[O-])n1)NCCN1CC[C@H](O)C1	ZINC001118904625	779595757	/nfs/dbraw/zinc/59/57/57/779595757.db2.gz	IIVSMAGBEJXESD-QMMMGPOBSA-N	0	1	284.276	-1.631	20	5		CABDMN
O=C([C@@H]1CC1[N+](=O)[O-])N1CCN2CCOC[C@]2(CO)C1	ZINC001156866009	779891584	/nfs/dbraw/zinc/89/15/84/779891584.db2.gz	BNFLUFLTMVOCEL-CKYFFXLPSA-N	0	1	285.300	-1.443	20	5		CABDMN
Cn1nnc(CNCCCNC(=O)[C@@H]2CC2[N+](=O)[O-])n1	ZINC001157767752	779914054	/nfs/dbraw/zinc/91/40/54/779914054.db2.gz	SSOKVKODURHUFU-HTQZYQBOSA-N	0	1	283.292	-1.529	20	5		CABDMN
COc1ncnc(-n2nnnc2CN)c1[N+](=O)[O-]	ZINC001158075120	779926261	/nfs/dbraw/zinc/92/62/61/779926261.db2.gz	SOWWIBBUODIEHV-UHFFFAOYSA-N	0	1	252.194	-1.172	20	5		CABDMN
NC(=O)C[C@H]1COCCN1C(=O)[C@@H]1CC1[N+](=O)[O-]	ZINC001162079943	780028375	/nfs/dbraw/zinc/02/83/75/780028375.db2.gz	HJLOJOCLICDYLC-XLPZGREQSA-N	0	1	257.246	-1.246	20	5		CABDMN
Nc1cc(N2CCNC(=O)C23CNC3)ncc1[N+](=O)[O-]	ZINC001165297922	780078290	/nfs/dbraw/zinc/07/82/90/780078290.db2.gz	KYVQWNIGXWNMDW-UHFFFAOYSA-N	0	1	278.272	-1.150	20	5		CABDMN
Cc1ncc([N+](=O)[O-])c(N2CCNC(=O)C23CNC3)n1	ZINC001165298238	780078373	/nfs/dbraw/zinc/07/83/73/780078373.db2.gz	LNSQPCHWPFYOGY-UHFFFAOYSA-N	0	1	278.272	-1.029	20	5		CABDMN
COc1ncnc(N2CCNC(=O)C23CNC3)c1[N+](=O)[O-]	ZINC001165298348	780078502	/nfs/dbraw/zinc/07/85/02/780078502.db2.gz	PYIIGAXMPILQBV-UHFFFAOYSA-N	0	1	294.271	-1.328	20	5		CABDMN
O=[N+]([O-])c1cnn(C[C@@H](O)CN2C[C@@H](O)[C@@H](O)C2)c1	ZINC001253346641	780591751	/nfs/dbraw/zinc/59/17/51/780591751.db2.gz	RRRATFIZDQICTB-LPEHRKFASA-N	0	1	272.261	-1.810	20	5		CABDMN
CN(C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H]1CCNC1=O	ZINC001253712530	780594889	/nfs/dbraw/zinc/59/48/89/780594889.db2.gz	LORYHYWDRRQEMV-NXEZZACHSA-N	0	1	283.288	-1.028	20	5		CABDMN
CN(C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H]1CCNC1=O	ZINC001253712539	780594951	/nfs/dbraw/zinc/59/49/51/780594951.db2.gz	LORYHYWDRRQEMV-VHSXEESVSA-N	0	1	283.288	-1.028	20	5		CABDMN
CN(C)C[C@@H](CO)NC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1	ZINC001261132119	780657357	/nfs/dbraw/zinc/65/73/57/780657357.db2.gz	YKDFEXSEBMRLCG-VIFPVBQESA-N	0	1	298.299	-1.205	20	5		CABDMN
CN1CCN(C)[C@@H](CNC(=O)Cn2cnc([N+](=O)[O-])n2)C1	ZINC001146376923	781483570	/nfs/dbraw/zinc/48/35/70/781483570.db2.gz	QZSYJUPFVUTEID-VIFPVBQESA-N	0	1	297.319	-1.452	20	5		CABDMN
CN(CCCNC(=O)C(N)=O)C(=O)[C@@H]1CC1[N+](=O)[O-]	ZINC001294280838	781873468	/nfs/dbraw/zinc/87/34/68/781873468.db2.gz	AAYJDRSRDKQHCJ-RNFRBKRXSA-N	0	1	272.261	-1.898	20	5		CABDMN
CNC(=O)CN(C)CCNC(=O)[C@@H]1CC1[N+](=O)[O-]	ZINC001317448291	884196507	/nfs/dbraw/zinc/19/65/07/884196507.db2.gz	QXOTXEIRNZPFDG-HTQZYQBOSA-N	0	1	258.278	-1.554	20	5		CABDMN
CNC(=O)CN(C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC001322159065	884542052	/nfs/dbraw/zinc/54/20/52/884542052.db2.gz	NYQXLOTZSUFKHH-VIFPVBQESA-N	0	1	271.277	-1.170	20	5		CABDMN
NC(=O)[C@@H]1CN(c2cc[nH]c(=O)c2[N+](=O)[O-])CCN1	ZINC001330621844	885215843	/nfs/dbraw/zinc/21/58/43/885215843.db2.gz	NELAUMHGARPTMJ-LURJTMIESA-N	0	1	267.245	-1.041	20	5		CABDMN
Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H]2CCOC2=O)n1	ZINC001351770901	886228823	/nfs/dbraw/zinc/22/88/23/886228823.db2.gz	XLMIFRNSFMTOTA-YFKPBYRVSA-N	0	1	290.257	-1.078	20	5		CABDMN
CN(CCNC(=O)CC(N)=O)C(=O)[C@@H]1CC1[N+](=O)[O-]	ZINC001355527806	886339909	/nfs/dbraw/zinc/33/99/09/886339909.db2.gz	GDWDRSIFKATFAT-RNFRBKRXSA-N	0	1	272.261	-1.898	20	5		CABDMN
O=C(N[C@H]1C[C@@H]([NH2+]Cc2n[nH]c(=O)[n-]2)C1)[C@@H]1CC1[N+](=O)[O-]	ZINC001022063763	884013389	/nfs/dbraw/zinc/01/33/89/884013389.db2.gz	LRWRMMOUHDAXEU-ULAWRXDQSA-N	0	1	296.287	-1.088	20	5		CABDMN
Cn1nnc(CN2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)n1	ZINC001313444203	884148655	/nfs/dbraw/zinc/14/86/55/884148655.db2.gz	BVMNFYMWQQRIMC-RKDXNWHRSA-N	0	1	295.303	-1.481	20	5		CABDMN
CN(C)S(=O)(=O)CCNC(=O)c1n[nH]cc1[N+](=O)[O-]	ZINC001324250293	884657931	/nfs/dbraw/zinc/65/79/31/884657931.db2.gz	ILBNTBQQWGUXRE-UHFFFAOYSA-N	0	1	291.289	-1.061	20	5		CABDMN
Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCC[S@@](C)=O)n1	ZINC001331553314	885287299	/nfs/dbraw/zinc/28/72/99/885287299.db2.gz	NHZMRVRVXXVKQZ-QGZVFWFLSA-N	0	1	296.330	-1.015	20	5		CABDMN
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Cn1ccc(C(=O)NCCNC(=O)[C@@H]2CC2[N+](=O)[O-])n1	ZINC001348934934	886106856	/nfs/dbraw/zinc/10/68/56/886106856.db2.gz	BZEXZGPJYJNNAW-VXNVDRBHSA-N	0	1	281.272	-1.069	20	5		CABDMN
O=C(Cn1cncn1)NCCCNC(=O)[C@@H]1CC1[N+](=O)[O-]	ZINC001350017084	886158339	/nfs/dbraw/zinc/15/83/39/886158339.db2.gz	PQRPIDUMAYXSDS-RKDXNWHRSA-N	0	1	296.287	-1.434	20	5		CABDMN
CCCN(CCNC(=O)C(N)=O)C(=O)[C@@H]1CC1[N+](=O)[O-]	ZINC001356529320	886369109	/nfs/dbraw/zinc/36/91/09/886369109.db2.gz	WPBHHNIKRTZRTE-HTQZYQBOSA-N	0	1	286.288	-1.508	20	5		CABDMN
CC(=O)NCC(=O)N1CC(NC(=O)[C@@H]2CC2[N+](=O)[O-])C1	ZINC001356758181	886377660	/nfs/dbraw/zinc/37/76/60/886377660.db2.gz	CXSWSIRYSQGXSE-RKDXNWHRSA-N	0	1	284.272	-1.885	20	5		CABDMN
CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(C(=O)CNC(N)=O)C1	ZINC001358729131	886442630	/nfs/dbraw/zinc/44/26/30/886442630.db2.gz	LCJDKPSBUDHSOD-HTQZYQBOSA-N	0	1	299.287	-2.011	20	5		CABDMN
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CN1C(=O)CN=C1NC(=O)c1n[nH]cc1[N+](=O)[O-]	ZINC001470595920	892320944	/nfs/dbraw/zinc/32/09/44/892320944.db2.gz	CMLSFQGSTAQZOY-UHFFFAOYSA-N	0	1	252.190	-1.124	20	5		CABDMN
CN(C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1)c1nn[nH]n1	ZINC001470570392	892321731	/nfs/dbraw/zinc/32/17/31/892321731.db2.gz	BOQGXJJNHSZBTN-UHFFFAOYSA-N	0	1	279.216	-1.067	20	5		CABDMN
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Cn1nnnc1CNC/C=C/CNC(=O)[C@@H]1CC1[N+](=O)[O-]	ZINC001497585113	893622622	/nfs/dbraw/zinc/62/26/22/893622622.db2.gz	SSKCSRGLEYIWGY-KHVQUVQLSA-N	0	1	295.303	-1.363	20	5		CABDMN
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COC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H]1CC1[N+](=O)[O-]	ZINC001534735367	894429609	/nfs/dbraw/zinc/42/96/09/894429609.db2.gz	QSNYMVDUEHCNEK-RULNZFCNSA-N	0	1	287.272	-1.166	20	5		CABDMN
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CN1CCN(CCNC(=O)Cn2cnc([N+](=O)[O-])n2)CC1	ZINC001539576584	894454086	/nfs/dbraw/zinc/45/40/86/894454086.db2.gz	XYKFRLLQYBWFBE-UHFFFAOYSA-N	0	1	297.319	-1.450	20	5		CABDMN
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Cc1[nH]nc(C(=O)N2C[C@@H]3C(=O)NC(=O)[C@@H]3C2)c1[N+](=O)[O-]	ZINC001556694249	894582095	/nfs/dbraw/zinc/58/20/95/894582095.db2.gz	YUEHKFXJOMFLMP-OLQVQODUSA-N	0	1	293.239	-1.029	20	5		CABDMN
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Cc1[nH]nc(C(=O)N2CC(O)(CO)C2)c1[N+](=O)[O-]	ZINC000597705304	373153702	/nfs/dbraw/zinc/15/37/02/373153702.db2.gz	KHJBNPWWZXRLDS-UHFFFAOYSA-N	0	1	256.218	-1.194	20	5		CABDMN
C[C@@H]([NH3+])C[N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-]	ZINC000599104641	373169971	/nfs/dbraw/zinc/16/99/71/373169971.db2.gz	FYABBCNCDMOTOY-RXMQYKEDSA-N	0	1	263.279	-1.046	20	5		CABDMN
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Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H]2CNC(=O)C2)n1	ZINC000599278221	373171194	/nfs/dbraw/zinc/17/11/94/373171194.db2.gz	ZIPZLAABVWUCHE-RXMQYKEDSA-N	0	1	289.273	-1.505	20	5		CABDMN
CNS(=O)(=O)[C@@H]1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1	ZINC000370998903	373763334	/nfs/dbraw/zinc/76/33/34/373763334.db2.gz	ODQQBTBREWIQHI-BWZBUEFSSA-N	0	1	277.302	-1.198	20	5		CABDMN
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NC(=O)C1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCOCC1	ZINC000371217937	252192433	/nfs/dbraw/zinc/19/24/33/252192433.db2.gz	DDGGOZJIOLPWFF-RNFRBKRXSA-N	0	1	257.246	-1.198	20	5		CABDMN
Cc1[nH]nc(C(=O)N2CCN(CC(N)=O)CC2)c1[N+](=O)[O-]	ZINC000354834857	533660038	/nfs/dbraw/zinc/66/00/38/533660038.db2.gz	VXZSHHNDGKHZNO-UHFFFAOYSA-N	0	1	296.287	-1.131	20	5		CABDMN
CN(C)C1CN(C(=O)Cn2cnc([N+](=O)[O-])n2)C1	ZINC000342135012	130294735	/nfs/dbraw/zinc/29/47/35/130294735.db2.gz	TWXOKKQPWLJPFW-UHFFFAOYSA-N	0	1	254.250	-1.041	20	5		CABDMN
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Cn1nnc(CNC/C=C\CNC(=O)[C@@H]2CC2[N+](=O)[O-])n1	ZINC001274017658	782131335	/nfs/dbraw/zinc/13/13/35/782131335.db2.gz	USCVOIISZOYMGQ-BNEREYBLSA-N	0	1	295.303	-1.363	20	5		CABDMN
CCN(CC(N)=O)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000191735751	527979566	/nfs/dbraw/zinc/97/95/66/527979566.db2.gz	HJVLPDGSXCWJTL-SECBINFHSA-N	0	1	271.277	-1.041	20	5		CABDMN
COC(=O)CNC(=O)[C@H]1CCCN1C(=O)[C@@H]1CC1[N+](=O)[O-]	ZINC000841360782	582116878	/nfs/dbraw/zinc/11/68/78/582116878.db2.gz	JMDDRCVDTGAOTG-IWSPIJDZSA-N	0	1	299.283	-1.068	20	5		CABDMN
NS(=O)(=O)N1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1	ZINC000839685507	582145516	/nfs/dbraw/zinc/14/55/16/582145516.db2.gz	DVILMWRSRNCBJK-RNFRBKRXSA-N	0	1	278.290	-2.001	20	5		CABDMN
COCCN1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1=O	ZINC000839758863	582145550	/nfs/dbraw/zinc/14/55/50/582145550.db2.gz	GMRWYGLLBUOOEW-HTQZYQBOSA-N	0	1	257.246	-1.074	20	5		CABDMN
C[C@H](O)C(=O)N1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1	ZINC000839717835	582145590	/nfs/dbraw/zinc/14/55/90/582145590.db2.gz	LCTIOFLOPXLLNK-DJLDLDEBSA-N	0	1	271.273	-1.297	20	5		CABDMN
CCOC(=O)CN(CC(N)=O)C(=O)[C@@H]1CC1[N+](=O)[O-]	ZINC000840290539	582172466	/nfs/dbraw/zinc/17/24/66/582172466.db2.gz	GAWTYABRGOWNJC-RNFRBKRXSA-N	0	1	273.245	-1.471	20	5		CABDMN
CN1C(=O)CC[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1=O	ZINC000819728674	582177933	/nfs/dbraw/zinc/17/79/33/582177933.db2.gz	RLXVLMZXNBALTK-DSYKOEDSSA-N	0	1	255.230	-1.085	20	5		CABDMN
Cn1ccc(=O)n(CCCNC(=O)[C@@H]2CC2[N+](=O)[O-])c1=O	ZINC000819947115	582178442	/nfs/dbraw/zinc/17/84/42/582178442.db2.gz	WBEZMAJNQSRTIE-RKDXNWHRSA-N	0	1	296.283	-1.282	20	5		CABDMN
O=C(N[C@H](CO)CN1CCOCC1)[C@@H]1CC1[N+](=O)[O-]	ZINC000820015087	582178734	/nfs/dbraw/zinc/17/87/34/582178734.db2.gz	HSLVUTCYGXZVMV-IVZWLZJFSA-N	0	1	273.289	-1.539	20	5		CABDMN
CNS(=O)(=O)N1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1	ZINC000846082066	582220964	/nfs/dbraw/zinc/22/09/64/582220964.db2.gz	VZPBWHDOHFTFQU-HTQZYQBOSA-N	0	1	292.317	-1.740	20	5		CABDMN
Cn1cc(NC(=O)[C@@H]2CC2[N+](=O)[O-])c(=O)n(C)c1=O	ZINC000848100423	582225810	/nfs/dbraw/zinc/22/58/10/582225810.db2.gz	OREDOUZBEWCIPG-IYSWYEEDSA-N	0	1	268.229	-1.312	20	5		CABDMN
CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)[C@@H]1CC1[N+](=O)[O-]	ZINC000855470406	582237469	/nfs/dbraw/zinc/23/74/69/582237469.db2.gz	GJERLHDDNLRBCD-WCTZXXKLSA-N	0	1	278.286	-1.420	20	5		CABDMN
O=C(NC[C@]1(OCCO)CCOC1)[C@@H]1CC1[N+](=O)[O-]	ZINC000855406055	582237478	/nfs/dbraw/zinc/23/74/78/582237478.db2.gz	SZPMMTOCUACOFV-FXPVBKGRSA-N	0	1	274.273	-1.064	20	5		CABDMN
CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)[C@@H]1CC1[N+](=O)[O-]	ZINC000855470407	582237504	/nfs/dbraw/zinc/23/75/04/582237504.db2.gz	GJERLHDDNLRBCD-XUTVFYLZSA-N	0	1	278.286	-1.420	20	5		CABDMN
CNC(=O)NC[C@H]1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])CCO1	ZINC000862636698	582246825	/nfs/dbraw/zinc/24/68/25/582246825.db2.gz	IFCYYJDJDFSZSP-DJLDLDEBSA-N	0	1	286.288	-1.192	20	5		CABDMN
CS(=O)(=O)NC1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1	ZINC000862840233	582247709	/nfs/dbraw/zinc/24/77/09/582247709.db2.gz	YVHJJVVMIUYYFF-RNFRBKRXSA-N	0	1	263.275	-1.588	20	5		CABDMN
NC(=O)C[C@@H]1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])CCO1	ZINC000863484261	582248856	/nfs/dbraw/zinc/24/88/56/582248856.db2.gz	UZTVOYYDQLPIBR-BWZBUEFSSA-N	0	1	257.246	-1.246	20	5		CABDMN
CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(CC(=O)NC)C1	ZINC000950053318	614651265	/nfs/dbraw/zinc/65/12/65/614651265.db2.gz	XSOUPDUWMSTABT-NXEZZACHSA-N	0	1	284.316	-1.070	20	5		CABDMN
CN(C(=O)C(N)=O)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1	ZINC000954341917	615773893	/nfs/dbraw/zinc/77/38/93/615773893.db2.gz	FSOQRNHOXJOQEE-RKDXNWHRSA-N	0	1	298.299	-1.414	20	5		CABDMN
CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(C(=O)CC(N)=O)C1	ZINC000954234981	615867366	/nfs/dbraw/zinc/86/73/66/615867366.db2.gz	NWBVODGOMOLOGC-HTQZYQBOSA-N	0	1	284.272	-1.804	20	5		CABDMN
COCC(=O)N1CC(N(C)C(=O)[C@@H]2CC2[N+](=O)[O-])C1	ZINC000954235207	616538727	/nfs/dbraw/zinc/53/87/27/616538727.db2.gz	QOYZVHZDXPGCNR-RKDXNWHRSA-N	0	1	271.273	-1.033	20	5		CABDMN
COCC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC1[N+](=O)[O-]	ZINC000976475502	616693535	/nfs/dbraw/zinc/69/35/35/616693535.db2.gz	UHPUMRBFXVCNHB-DZEUPHNYSA-N	0	1	283.284	-1.129	20	5		CABDMN
Cn1cnc([N+](=O)[O-])c1CN[C@H]1C[C@H](NC(=O)C(N)=O)C1	ZINC001020533317	655999900	/nfs/dbraw/zinc/99/99/00/655999900.db2.gz	QPSHNSFQBQRQMB-LJGSYFOKSA-N	0	1	296.287	-1.450	20	5		CABDMN
NC(=O)C(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1	ZINC000973254245	656060290	/nfs/dbraw/zinc/06/02/90/656060290.db2.gz	IMDCUOHXQWRFSG-DBRKOABJSA-N	0	1	270.245	-2.100	20	5		CABDMN
NC(=O)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC1[N+](=O)[O-]	ZINC000976495761	656083653	/nfs/dbraw/zinc/08/36/53/656083653.db2.gz	SLRLRPZTHFQREN-CBQIKETKSA-N	0	1	282.256	-2.290	20	5		CABDMN
O=C(Cc1cc[nH]n1)NC1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1	ZINC000990591165	656163078	/nfs/dbraw/zinc/16/30/78/656163078.db2.gz	IOVJNLHLUORNAX-NXEZZACHSA-N	0	1	293.283	-1.056	20	5		CABDMN
O=C1COC[C@@]2(CNCC[N+](=O)[O-])COCCN12	ZINC000905407177	656191779	/nfs/dbraw/zinc/19/17/79/656191779.db2.gz	ARGNXJKXMPHVAQ-SNVBAGLBSA-N	0	1	259.262	-1.520	20	5		CABDMN
O=C(NC1CN(C(=O)C2=COCCO2)C1)[C@@H]1CC1[N+](=O)[O-]	ZINC000991279237	656229238	/nfs/dbraw/zinc/22/92/38/656229238.db2.gz	KAETUYSUZBDPDC-RKDXNWHRSA-N	0	1	297.267	-1.133	20	5		CABDMN
O=C(NC1CN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)C1)[C@@H]1CC1[N+](=O)[O-]	ZINC000991286434	656230066	/nfs/dbraw/zinc/23/00/66/656230066.db2.gz	AXYDLPVHJCFZQI-NZFPMDFQSA-N	0	1	295.295	-1.129	20	5		CABDMN
O=C(Cc1ncc[nH]1)N1CC(NC(=O)[C@@H]2CC2[N+](=O)[O-])C1	ZINC000991295045	656230793	/nfs/dbraw/zinc/23/07/93/656230793.db2.gz	YAAIQINYWRAGMG-RKDXNWHRSA-N	0	1	293.283	-1.056	20	5		CABDMN
O=C(Cn1ncnn1)N1CC(NC(=O)[C@@H]2CC2[N+](=O)[O-])C1	ZINC000991293584	656231361	/nfs/dbraw/zinc/23/13/61/656231361.db2.gz	PERSUWRTLAKKMM-HTQZYQBOSA-N	0	1	295.259	-2.335	20	5		CABDMN
Cn1ncc(C(=O)N2CC(NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)n1	ZINC000991295934	656231382	/nfs/dbraw/zinc/23/13/82/656231382.db2.gz	LHKHNWPCZJMCMP-VXNVDRBHSA-N	0	1	294.271	-1.579	20	5		CABDMN
O=C(Cc1nnc[nH]1)N1CC(NC(=O)[C@@H]2CC2[N+](=O)[O-])C1	ZINC000991294199	656231439	/nfs/dbraw/zinc/23/14/39/656231439.db2.gz	UIOLCIAXPLOZKL-HTQZYQBOSA-N	0	1	294.271	-1.661	20	5		CABDMN
Cn1cc(CN2CC(NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)nn1	ZINC001030292279	656302614	/nfs/dbraw/zinc/30/26/14/656302614.db2.gz	AKUOPUUZABXQRI-NXEZZACHSA-N	0	1	280.288	-1.219	20	5		CABDMN
CS(=O)(=O)CCN1CC(NC(=O)[C@@H]2CC2[N+](=O)[O-])C1	ZINC001030292634	656302626	/nfs/dbraw/zinc/30/26/26/656302626.db2.gz	PVHFPUFUQCQHHZ-RKDXNWHRSA-N	0	1	291.329	-1.503	20	5		CABDMN
O=C(CN1CC(NC(=O)[C@@H]2CC2[N+](=O)[O-])C1)NC1CC1	ZINC001030291567	656302797	/nfs/dbraw/zinc/30/27/97/656302797.db2.gz	ACPBKYCDHPQJKK-NXEZZACHSA-N	0	1	282.300	-1.269	20	5		CABDMN
CNC(=O)CN1CC(NC(=O)[C@@H]2CC2[N+](=O)[O-])C1	ZINC001030291823	656302850	/nfs/dbraw/zinc/30/28/50/656302850.db2.gz	LMXMVMKINMFETG-HTQZYQBOSA-N	0	1	256.262	-1.802	20	5		CABDMN
O=C(NCC1CN(CCn2cncn2)C1)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001031662510	656381385	/nfs/dbraw/zinc/38/13/85/656381385.db2.gz	FNBNONSQLFQBPY-GHMZBOCLSA-N	0	1	294.315	-1.009	20	5		CABDMN
Cn1nnc(CN2CC(CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)n1	ZINC001031661986	656381791	/nfs/dbraw/zinc/38/17/91/656381791.db2.gz	QBNXLMXDLCWRSD-RKDXNWHRSA-N	0	1	295.303	-1.577	20	5		CABDMN
NC(=O)CN1CC(CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1	ZINC001031662018	656382188	/nfs/dbraw/zinc/38/21/88/656382188.db2.gz	QRNQUYQRFYASTI-HTQZYQBOSA-N	0	1	256.262	-1.815	20	5		CABDMN
O=C(CN1CC(CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1)NC1CC1	ZINC001031662049	656382298	/nfs/dbraw/zinc/38/22/98/656382298.db2.gz	RQRFOIPXRAZWGM-GHMZBOCLSA-N	0	1	296.327	-1.022	20	5		CABDMN
O=C([C@@H]1CC1[N+](=O)[O-])N1CCN(C2CN(CCO)C2)CC1	ZINC000941407359	656412095	/nfs/dbraw/zinc/41/20/95/656412095.db2.gz	PSPBIVFOCZAVRR-VXGBXAGGSA-N	0	1	298.343	-1.528	20	5		CABDMN
O=C(NC1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1)[C@H]1[C@@H]2COC[C@@H]21	ZINC000997926570	656523070	/nfs/dbraw/zinc/52/30/70/656523070.db2.gz	QPJPDGSNHGUHQT-NZFPMDFQSA-N	0	1	295.295	-1.129	20	5		CABDMN
O=C(NCC1CN(C(=O)c2nc[nH]n2)C1)[C@@H]1CC1[N+](=O)[O-]	ZINC001001806755	656625306	/nfs/dbraw/zinc/62/53/06/656625306.db2.gz	MRCKSFPATXVZJM-HTQZYQBOSA-N	0	1	294.271	-1.342	20	5		CABDMN
NC(=O)C(=O)N1CC(CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1	ZINC001001810785	656627096	/nfs/dbraw/zinc/62/70/96/656627096.db2.gz	RWRGJMSZWYUFSJ-RNFRBKRXSA-N	0	1	270.245	-2.289	20	5		CABDMN
NC(=O)CN1CCC(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1	ZINC001002790698	656633266	/nfs/dbraw/zinc/63/32/66/656633266.db2.gz	FJTNVGDOAREMKJ-RKDXNWHRSA-N	0	1	270.289	-1.283	20	5		CABDMN
O=C(NCC1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1)c1cnon1	ZINC001003809356	656663761	/nfs/dbraw/zinc/66/37/61/656663761.db2.gz	ZQIFFXKWRQDZRZ-VXNVDRBHSA-N	0	1	295.255	-1.077	20	5		CABDMN
NC(=O)CC(=O)N1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1	ZINC001010799656	657097495	/nfs/dbraw/zinc/09/74/95/657097495.db2.gz	IXYSZSNZOGFIME-HTQZYQBOSA-N	0	1	284.272	-1.802	20	5		CABDMN
O=C(c1nc[nH]n1)N1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1	ZINC001011115121	657105574	/nfs/dbraw/zinc/10/55/74/657105574.db2.gz	UPZVZCAUSMHEBJ-HTQZYQBOSA-N	0	1	294.271	-1.246	20	5		CABDMN
NC(=O)CN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC1[N+](=O)[O-]	ZINC001017544485	657220045	/nfs/dbraw/zinc/22/00/45/657220045.db2.gz	UKFMFFWXOLLBKC-UTINFBMNSA-N	0	1	282.300	-1.188	20	5		CABDMN
NC(=O)C(=O)N1CC=C(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1	ZINC001017440830	657220476	/nfs/dbraw/zinc/22/04/76/657220476.db2.gz	OSHHTYZTDBGTPE-RKDXNWHRSA-N	0	1	296.283	-1.588	20	5		CABDMN
NC(=O)C(=O)N1CCC2(CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1	ZINC001019014760	657253217	/nfs/dbraw/zinc/25/32/17/657253217.db2.gz	DJTWENHDOWSEHA-HTQZYQBOSA-N	0	1	296.283	-1.802	20	5		CABDMN
O=C(NCC1(O)CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1)C1CC1	ZINC001041086662	782238031	/nfs/dbraw/zinc/23/80/31/782238031.db2.gz	LHOKNFADAQZELX-RKDXNWHRSA-N	0	1	283.284	-1.249	20	5		CABDMN
COCC(=O)NCC1(O)CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1	ZINC001041153561	782297193	/nfs/dbraw/zinc/29/71/93/782297193.db2.gz	HHWNAVSKALMBEA-HTQZYQBOSA-N	0	1	287.272	-2.013	20	5		CABDMN
CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(Cc2nnnn2C)C1	ZINC001042705026	782342552	/nfs/dbraw/zinc/34/25/52/782342552.db2.gz	HIYUUCULOOXHRL-RKDXNWHRSA-N	0	1	295.303	-1.482	20	5		CABDMN
CN(C)C(=O)CN1CC(N(C)C(=O)[C@@H]2CC2[N+](=O)[O-])C1	ZINC001042705225	782343002	/nfs/dbraw/zinc/34/30/02/782343002.db2.gz	NESYBEURYHSEQS-NXEZZACHSA-N	0	1	284.316	-1.118	20	5		CABDMN
NC(=O)C(=O)N1CC(O)(CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1	ZINC001042976513	782354030	/nfs/dbraw/zinc/35/40/30/782354030.db2.gz	FNHSUKUUGCOTAQ-PHDIDXHHSA-N	0	1	286.244	-3.174	20	5		CABDMN
O=C([C@@H]1CC1[N+](=O)[O-])N1CCOC2(CN(CCO)C2)C1	ZINC001053253208	782563143	/nfs/dbraw/zinc/56/31/43/782563143.db2.gz	AIKYVZYEZBUJBG-NXEZZACHSA-N	0	1	285.300	-1.443	20	5		CABDMN
CC(=O)N(CCO)CCNC(=O)[C@@H]1CC1[N+](=O)[O-]	ZINC001056728965	782628222	/nfs/dbraw/zinc/62/82/22/782628222.db2.gz	SIBBCHCRCRKIMI-RKDXNWHRSA-N	0	1	259.262	-1.391	20	5		CABDMN
COCC(=O)NCCN(CCO)C(=O)[C@@H]1CC1[N+](=O)[O-]	ZINC001057543660	782671185	/nfs/dbraw/zinc/67/11/85/782671185.db2.gz	RSNCVYIRPMRILE-RKDXNWHRSA-N	0	1	289.288	-1.765	20	5		CABDMN
CCC(=O)NCCN(CCO)C(=O)[C@@H]1CC1[N+](=O)[O-]	ZINC001057543668	782671208	/nfs/dbraw/zinc/67/12/08/782671208.db2.gz	RWQYMZYDUKIIMB-RKDXNWHRSA-N	0	1	273.289	-1.001	20	5		CABDMN
CC1(NC(=O)C(N)=O)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1	ZINC001073015576	782789108	/nfs/dbraw/zinc/78/91/08/782789108.db2.gz	KXMIKYZBGQZUBQ-HTQZYQBOSA-N	0	1	298.299	-1.366	20	5		CABDMN
COCCCN1CC(O)(CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1	ZINC001271282586	775600300	/nfs/dbraw/zinc/60/03/00/775600300.db2.gz	ZZPRRBXJHIGFQH-NXEZZACHSA-N	0	1	287.316	-1.149	20	5		CABDMN
NC(=O)CN1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1=O	ZINC001299186529	775649815	/nfs/dbraw/zinc/64/98/15/775649815.db2.gz	SOKUQXXGFGANIF-RNFRBKRXSA-N	0	1	270.245	-2.192	20	5		CABDMN
Cn1ncc(CNCCNC(=O)[C@@H]2CC2[N+](=O)[O-])n1	ZINC001126932295	775732065	/nfs/dbraw/zinc/73/20/65/775732065.db2.gz	QUUNHRCMGAKHNH-RKDXNWHRSA-N	0	1	268.277	-1.314	20	5		CABDMN
O=C(NCCNCc1nnnn1C1CC1)[C@@H]1CC1[N+](=O)[O-]	ZINC001126936418	775733933	/nfs/dbraw/zinc/73/39/33/775733933.db2.gz	GREQFSGIOWKYLY-RKDXNWHRSA-N	0	1	295.303	-1.121	20	5		CABDMN
CCN(C(=O)CC(N)=O)C1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1	ZINC001079528863	776307060	/nfs/dbraw/zinc/30/70/60/776307060.db2.gz	YGWVQMCRFJDWMD-RKDXNWHRSA-N	0	1	298.299	-1.414	20	5		CABDMN
NCc1nnnn1-c1ncc([N+](=O)[O-])cc1C(N)=O	ZINC001168917089	776517693	/nfs/dbraw/zinc/51/76/93/776517693.db2.gz	BYVOVDADGNJJDC-UHFFFAOYSA-N	0	1	264.205	-1.477	20	5		CABDMN
COc1ncc([N+](=O)[O-])c(-n2nnnc2CN)n1	ZINC001168919324	776518137	/nfs/dbraw/zinc/51/81/37/776518137.db2.gz	ZUVYASOCYZSSKW-UHFFFAOYSA-N	0	1	252.194	-1.172	20	5		CABDMN
Cc1c[n+]([O-])c(-n2nnnc2CN)cc1[N+](=O)[O-]	ZINC001168919003	776518733	/nfs/dbraw/zinc/51/87/33/776518733.db2.gz	QGGXSGJBNHXWCX-UHFFFAOYSA-N	0	1	251.206	-1.029	20	5		CABDMN
NCc1nnnn1-c1ccc([N+](=O)[O-])c(C(N)=O)n1	ZINC001168917450	776518749	/nfs/dbraw/zinc/51/87/49/776518749.db2.gz	IJDCNXKMBJZSPC-UHFFFAOYSA-N	0	1	264.205	-1.477	20	5		CABDMN
O=C([C@@H]1CC1[N+](=O)[O-])N1CCN(CCOCCO)CC1	ZINC001112835771	776572024	/nfs/dbraw/zinc/57/20/24/776572024.db2.gz	OKRZRTOQDAQOJY-GHMZBOCLSA-N	0	1	287.316	-1.195	20	5		CABDMN
CN(C)S(=O)(=O)CCNC(=O)[C@@H]1CC1[N+](=O)[O-]	ZINC001129476094	776621470	/nfs/dbraw/zinc/62/14/70/776621470.db2.gz	VQSDKBYEIMEXOE-RNFRBKRXSA-N	0	1	265.291	-1.341	20	5		CABDMN
CN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)Cn1cnnn1	ZINC001284521687	777947939	/nfs/dbraw/zinc/94/79/39/777947939.db2.gz	HHXFEGWCMDUGIS-HTQZYQBOSA-N	0	1	297.275	-2.087	20	5		CABDMN
O=C(NCc1nnc2n1CCNC2=O)[C@@H]1CC1[N+](=O)[O-]	ZINC001288370790	778019584	/nfs/dbraw/zinc/01/95/84/778019584.db2.gz	WFIWRIFBBLGAMC-PHDIDXHHSA-N	0	1	280.244	-1.697	20	5		CABDMN
CC(=O)NCC(=O)NCCNC(=O)[C@@H]1CC1[N+](=O)[O-]	ZINC001292450043	778034733	/nfs/dbraw/zinc/03/47/33/778034733.db2.gz	XSHLADDPDZYTGU-HTQZYQBOSA-N	0	1	272.261	-1.980	20	5		CABDMN
O=C(Cn1ccnc1)NCCNC(=O)[C@@H]1CC1[N+](=O)[O-]	ZINC001292716753	778045697	/nfs/dbraw/zinc/04/56/97/778045697.db2.gz	AQORSLSHBPKFAX-RKDXNWHRSA-N	0	1	281.272	-1.219	20	5		CABDMN
CN(C[C@H](O)CN1CCOCC1)C(=O)[C@@H]1CC1[N+](=O)[O-]	ZINC001294447293	778065172	/nfs/dbraw/zinc/06/51/72/778065172.db2.gz	MCYBXRULPHXQIZ-HBNTYKKESA-N	0	1	287.316	-1.197	20	5		CABDMN
CN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)c1cnon1	ZINC001296065532	778091459	/nfs/dbraw/zinc/09/14/59/778091459.db2.gz	UVXHLNFNHOBIHM-HTRCEHHLSA-N	0	1	283.244	-1.077	20	5		CABDMN
NC(=O)C1(O)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1	ZINC001118759149	779585038	/nfs/dbraw/zinc/58/50/38/779585038.db2.gz	KBXZTHKSUPOWRT-RNFRBKRXSA-N	0	1	257.246	-1.510	20	5		CABDMN
O=C([C@@H]1CC1[N+](=O)[O-])N1C[C@@H]2C(=O)NC(=O)[C@@H]2C1	ZINC001141208113	779740808	/nfs/dbraw/zinc/74/08/08/779740808.db2.gz	CMUCWMUVDIJPOR-MVIOUDGNSA-N	0	1	253.214	-1.617	20	5		CABDMN
NS(=O)(=O)C1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCC1	ZINC001155542713	779872373	/nfs/dbraw/zinc/87/23/73/779872373.db2.gz	IEKYFBLUYLGLRG-RNFRBKRXSA-N	0	1	277.302	-1.021	20	5		CABDMN
O=C([C@@H]1CC1[N+](=O)[O-])N1CCN2[C@@H](CNS2(=O)=O)C1	ZINC001156620914	779888715	/nfs/dbraw/zinc/88/87/15/779888715.db2.gz	GJMBMGQDJAGNGW-XLPZGREQSA-N	0	1	290.301	-1.988	20	5		CABDMN
O=C(NCCC[NH2+]Cc1n[nH]c(=O)[n-]1)[C@@H]1CC1[N+](=O)[O-]	ZINC001157767101	779912621	/nfs/dbraw/zinc/91/26/21/779912621.db2.gz	HIKPHCPGQJSJNC-RNFRBKRXSA-N	0	1	284.276	-1.229	20	5		CABDMN
NC(=O)C[C@@H]1COCCN1C(=O)[C@@H]1CC1[N+](=O)[O-]	ZINC001162079939	780028719	/nfs/dbraw/zinc/02/87/19/780028719.db2.gz	HJLOJOCLICDYLC-BWZBUEFSSA-N	0	1	257.246	-1.246	20	5		CABDMN
O=C1NCCN(c2cc([N+](=O)[O-])cc[n+]2[O-])C12CNC2	ZINC001165298103	780078387	/nfs/dbraw/zinc/07/83/87/780078387.db2.gz	RRCLCVIBHPMDEQ-UHFFFAOYSA-N	0	1	279.256	-1.494	20	5		CABDMN
Cc1nc(N2CCNC(=O)C23CNC3)ncc1[N+](=O)[O-]	ZINC001165300702	780078834	/nfs/dbraw/zinc/07/88/34/780078834.db2.gz	JIGIROUTMFXBOP-UHFFFAOYSA-N	0	1	278.272	-1.029	20	5		CABDMN
Cc1c([N+](=O)[O-])cc[n+]([O-])c1N1CCNC(=O)C12CNC2	ZINC001165302064	780079900	/nfs/dbraw/zinc/07/99/00/780079900.db2.gz	GTOPEYOMFJJGCN-UHFFFAOYSA-N	0	1	293.283	-1.185	20	5		CABDMN
CN(C)C[C@H](CO)NC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1	ZINC001261132118	780657240	/nfs/dbraw/zinc/65/72/40/780657240.db2.gz	YKDFEXSEBMRLCG-SECBINFHSA-N	0	1	298.299	-1.205	20	5		CABDMN
Cn1cc(C(=O)NCCNC(=O)[C@@H]2CC2[N+](=O)[O-])[nH]c1=O	ZINC001283005732	780838795	/nfs/dbraw/zinc/83/87/95/780838795.db2.gz	ZACBJXZNCSVDRW-HTRCEHHLSA-N	0	1	297.271	-1.363	20	5		CABDMN
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CN1CCN(C)[C@H](CNC(=O)Cn2cnc([N+](=O)[O-])n2)C1	ZINC001146376922	781483921	/nfs/dbraw/zinc/48/39/21/781483921.db2.gz	QZSYJUPFVUTEID-SECBINFHSA-N	0	1	297.319	-1.452	20	5		CABDMN
COC(=O)[C@@]1(NC(=O)[C@@H]2CC2[N+](=O)[O-])C[C@H](O)C1	ZINC001175641293	781594456	/nfs/dbraw/zinc/59/44/56/781594456.db2.gz	FEQBXEWFRGKMRG-IBNKKVAHSA-N	0	1	258.230	-1.166	20	5		CABDMN
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CNC(=O)CNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-]	ZINC001348135046	886063707	/nfs/dbraw/zinc/06/37/07/886063707.db2.gz	UOVVAARIRRFONF-UHFFFAOYSA-N	0	1	277.262	-1.647	20	5		CABDMN
Cn1nnnc1CN1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1	ZINC001313444623	884150665	/nfs/dbraw/zinc/15/06/65/884150665.db2.gz	GEOPCVUOBVSBRG-RKDXNWHRSA-N	0	1	295.303	-1.481	20	5		CABDMN
CNC(=O)CN(C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC001322159064	884539947	/nfs/dbraw/zinc/53/99/47/884539947.db2.gz	NYQXLOTZSUFKHH-SECBINFHSA-N	0	1	271.277	-1.170	20	5		CABDMN
NC(=O)[C@]1(O)CCN(CCn2cc([N+](=O)[O-])ccc2=O)C1	ZINC001324452618	884671298	/nfs/dbraw/zinc/67/12/98/884671298.db2.gz	QQEVFSNHJUFHEH-LBPRGKRZSA-N	0	1	296.283	-1.321	20	5		CABDMN
NC(=O)[C@@]1(O)CCN(CCn2cc([N+](=O)[O-])cn2)C1	ZINC001327836878	884933569	/nfs/dbraw/zinc/93/35/69/884933569.db2.gz	YZGVABIJMGCXIB-SNVBAGLBSA-N	0	1	269.261	-1.287	20	5		CABDMN
CNC(=O)[C@H](C)NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-]	ZINC001329791671	885140294	/nfs/dbraw/zinc/14/02/94/885140294.db2.gz	DLGJLDDZYXOPCI-YFKPBYRVSA-N	0	1	291.289	-1.259	20	5		CABDMN
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CNC(=O)C1(C(=O)NCCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1	ZINC001348934434	886106160	/nfs/dbraw/zinc/10/61/60/886106160.db2.gz	HQSFXEAQKZGUOV-HTQZYQBOSA-N	0	1	298.299	-1.590	20	5		CABDMN
CC(=O)N1CCN(C(=O)CCNCC[N+](=O)[O-])CC1	ZINC001352802559	886246697	/nfs/dbraw/zinc/24/66/97/886246697.db2.gz	JCAMGLDRZLGHCI-UHFFFAOYSA-N	0	1	272.305	-1.067	20	5		CABDMN
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CN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)C1(C(N)=O)CC1	ZINC001355591692	886343087	/nfs/dbraw/zinc/34/30/87/886343087.db2.gz	HIRLPCULOCOEKH-HTQZYQBOSA-N	0	1	298.299	-1.508	20	5		CABDMN
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COC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CC1[N+](=O)[O-]	ZINC001466465995	892227437	/nfs/dbraw/zinc/22/74/37/892227437.db2.gz	MNXAJRPHCCSTHE-XUTVFYLZSA-N	0	1	258.230	-1.214	20	5		CABDMN
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CN(CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])Cc1nnn(C)n1	ZINC001490192630	893192102	/nfs/dbraw/zinc/19/21/02/893192102.db2.gz	CGCPNCKEUWTONE-RKDXNWHRSA-N	0	1	297.319	-1.187	20	5		CABDMN
Cn1nccc1C(=O)NCCNC(=O)[C@@H]1CC1[N+](=O)[O-]	ZINC001491168651	893249123	/nfs/dbraw/zinc/24/91/23/893249123.db2.gz	ZSUSPDIPFPVZPZ-VXNVDRBHSA-N	0	1	281.272	-1.069	20	5		CABDMN
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Cn1nncc1C(=O)NCCCNC(=O)[C@@H]1CC1[N+](=O)[O-]	ZINC001522901793	894259646	/nfs/dbraw/zinc/25/96/46/894259646.db2.gz	ZTWCABHLSJDSMW-HTQZYQBOSA-N	0	1	296.287	-1.284	20	5		CABDMN
COC(=O)c1cn(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])nn1	ZINC001525682191	894293796	/nfs/dbraw/zinc/29/37/96/894293796.db2.gz	GRJNNVHDDTVCMM-HTRCEHHLSA-N	0	1	283.244	-1.154	20	5		CABDMN
COC(=O)[C@@H]1CN(C)C(=O)CN1C(=O)[C@@H]1CC1[N+](=O)[O-]	ZINC001538931393	894450045	/nfs/dbraw/zinc/45/00/45/894450045.db2.gz	GGKIYPXBTRZSGJ-PRJMDXOYSA-N	0	1	285.256	-1.506	20	5		CABDMN
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C[C@@H]1C(=O)N(NC(=O)[C@@H]2CC2[N+](=O)[O-])C(=O)N1C	ZINC001557575839	894601273	/nfs/dbraw/zinc/60/12/73/894601273.db2.gz	GLBAMRONEMVRSK-HSUXUTPPSA-N	0	1	256.218	-1.035	20	5		CABDMN
CNC(=O)C1CN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1	ZINC000184788152	529844058	/nfs/dbraw/zinc/84/40/58/529844058.db2.gz	CXLWJTSGESDELS-SNVBAGLBSA-N	0	1	283.288	-1.170	20	5		CABDMN
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CC[C@@H](NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-])C(N)=O	ZINC000599315841	373171977	/nfs/dbraw/zinc/17/19/77/373171977.db2.gz	UYHLWLRLQYWHQM-RXMQYKEDSA-N	0	1	291.289	-1.130	20	5		CABDMN
Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]2CNC(=O)C2)n1	ZINC000599278222	373172357	/nfs/dbraw/zinc/17/23/57/373172357.db2.gz	ZIPZLAABVWUCHE-YFKPBYRVSA-N	0	1	289.273	-1.505	20	5		CABDMN
Cn1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H]2CC[NH2+]C2)n1	ZINC000599098358	373167908	/nfs/dbraw/zinc/16/79/08/373167908.db2.gz	SHONIBVKCHQDOA-LURJTMIESA-N	0	1	275.290	-1.032	20	5		CABDMN
C[C@H](C[NH3+])[N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-]	ZINC000599102077	373170043	/nfs/dbraw/zinc/17/00/43/373170043.db2.gz	PHEBTVVLAVFMOE-RXMQYKEDSA-N	0	1	263.279	-1.046	20	5		CABDMN
COC(=O)CNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-]	ZINC000599209628	373170793	/nfs/dbraw/zinc/17/07/93/373170793.db2.gz	PDEWHQJUDLOZBU-UHFFFAOYSA-N	0	1	278.246	-1.220	20	5		CABDMN
CNC(=O)[C@@H]1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])CCO1	ZINC000369983403	252189895	/nfs/dbraw/zinc/18/98/95/252189895.db2.gz	IZPLCSAGCAMWLP-PRJMDXOYSA-N	0	1	257.246	-1.375	20	5		CABDMN
CN(CC(=O)N1CCNCC1)C(=O)c1n[nH]cc1[N+](=O)[O-]	ZINC000353048249	409543029	/nfs/dbraw/zinc/54/30/29/409543029.db2.gz	PKYQHJVLSSXLHI-UHFFFAOYSA-N	0	1	296.287	-1.178	20	5		CABDMN
CCS(=O)(=O)NCCNC(=O)c1n[nH]cc1[N+](=O)[O-]	ZINC000343236773	230240380	/nfs/dbraw/zinc/24/03/80/230240380.db2.gz	OOKMGMSIONWNCV-UHFFFAOYSA-N	0	1	291.289	-1.013	20	5		CABDMN
NC(=O)[C@H](CO)NC[C@@H](O)COc1cccc([N+](=O)[O-])c1	ZINC000517567687	260193629	/nfs/dbraw/zinc/19/36/29/260193629.db2.gz	OJGDNXQPALQTDU-KOLCDFICSA-N	0	1	299.283	-1.230	20	5		CABDMN
O=C(Cn1ccc([N+](=O)[O-])n1)NCC(=O)N1CCNCC1	ZINC000576148123	335160503	/nfs/dbraw/zinc/16/05/03/335160503.db2.gz	GLXRQSURHOWOSM-UHFFFAOYSA-N	0	1	296.287	-1.661	20	5		CABDMN
COC(=O)C[C@H](N)C(=O)NCCn1cc([N+](=O)[O-])cn1	ZINC000567499370	334725990	/nfs/dbraw/zinc/72/59/90/334725990.db2.gz	VYJWSRMSJYLGOW-QMMMGPOBSA-N	0	1	285.260	-1.202	20	5		CABDMN
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CN(C)S(=O)(=O)NCCNC(=O)[C@@H]1CC1[N+](=O)[O-]	ZINC000846656996	582222822	/nfs/dbraw/zinc/22/28/22/582222822.db2.gz	RRHBCXVNLCQYFZ-RNFRBKRXSA-N	0	1	280.306	-1.836	20	5		CABDMN
COC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CC1[N+](=O)[O-]	ZINC000841360777	582116892	/nfs/dbraw/zinc/11/68/92/582116892.db2.gz	JMDDRCVDTGAOTG-HRDYMLBCSA-N	0	1	299.283	-1.068	20	5		CABDMN
CN(CC(=O)N1CCOCC1)C(=O)[C@@H]1CC1[N+](=O)[O-]	ZINC000839472637	582139981	/nfs/dbraw/zinc/13/99/81/582139981.db2.gz	DQAMLMVKFDUBRZ-RKDXNWHRSA-N	0	1	271.273	-1.031	20	5		CABDMN
C[C@@H](O)C(=O)N1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1	ZINC000839717850	582145597	/nfs/dbraw/zinc/14/55/97/582145597.db2.gz	LCTIOFLOPXLLNK-IWSPIJDZSA-N	0	1	271.273	-1.297	20	5		CABDMN
COC(=O)C[C@H]1C(=O)NCCN1C(=O)[C@@H]1CC1[N+](=O)[O-]	ZINC000840261164	582172182	/nfs/dbraw/zinc/17/21/82/582172182.db2.gz	LSYOVJUVHLTJSP-PRJMDXOYSA-N	0	1	285.256	-1.458	20	5		CABDMN
CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])[C@H]1CC(=O)NC1=O	ZINC000840306393	582172531	/nfs/dbraw/zinc/17/25/31/582172531.db2.gz	TXDOXKDHXYXFMX-QYNIQEEDSA-N	0	1	255.230	-1.085	20	5		CABDMN
CN1CCN(C(=O)CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1	ZINC000840342313	582175115	/nfs/dbraw/zinc/17/51/15/582175115.db2.gz	XVEZXOUYSBRQJE-NXEZZACHSA-N	0	1	284.316	-1.068	20	5		CABDMN
CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)[C@@H]1CC1[N+](=O)[O-]	ZINC000855470404	582237473	/nfs/dbraw/zinc/23/74/73/582237473.db2.gz	GJERLHDDNLRBCD-CWKFCGSDSA-N	0	1	278.286	-1.420	20	5		CABDMN
CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)[C@@H]1CC1[N+](=O)[O-]	ZINC000855470405	582237475	/nfs/dbraw/zinc/23/74/75/582237475.db2.gz	GJERLHDDNLRBCD-ULAWRXDQSA-N	0	1	278.286	-1.420	20	5		CABDMN
CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(C(=O)CC(N)=O)C1	ZINC000967949843	614651290	/nfs/dbraw/zinc/65/12/90/614651290.db2.gz	LDLGSMJIKNAVRH-RKDXNWHRSA-N	0	1	298.299	-1.414	20	5		CABDMN
CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(CC(N)=O)C1	ZINC000950055603	614651522	/nfs/dbraw/zinc/65/15/22/614651522.db2.gz	GEXSMIBNMZEMOB-RKDXNWHRSA-N	0	1	270.289	-1.330	20	5		CABDMN
CN(C(=O)c1nc[nH]n1)C1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1	ZINC000955021919	615938756	/nfs/dbraw/zinc/93/87/56/615938756.db2.gz	HITWKVZRXGLDIV-HTQZYQBOSA-N	0	1	294.271	-1.247	20	5		CABDMN
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NC(=O)C(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1	ZINC000974109848	656073746	/nfs/dbraw/zinc/07/37/46/656073746.db2.gz	IMDCUOHXQWRFSG-XZBKPIIZSA-N	0	1	270.245	-2.100	20	5		CABDMN
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CN(CCNCc1nnn(C)n1)C(=O)[C@@H]1CC1[N+](=O)[O-]	ZINC001266696314	775163451	/nfs/dbraw/zinc/16/34/51/775163451.db2.gz	DSNNWUUPYLPTPQ-HTQZYQBOSA-N	0	1	283.292	-1.577	20	5		CABDMN
CN(CCNCc1nnnn1C)C(=O)[C@@H]1CC1[N+](=O)[O-]	ZINC001266696903	775163602	/nfs/dbraw/zinc/16/36/02/775163602.db2.gz	WCPOWZRGJWMXFA-HTQZYQBOSA-N	0	1	283.292	-1.577	20	5		CABDMN
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Cn1nnnc1CNC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1	ZINC001269411660	775506988	/nfs/dbraw/zinc/50/69/88/775506988.db2.gz	PBMVZSIZMXFDFB-HTQZYQBOSA-N	0	1	295.303	-1.386	20	5		CABDMN
CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(CCOCCO)C1	ZINC001269787094	775518108	/nfs/dbraw/zinc/51/81/08/775518108.db2.gz	GBOSJXVOKHCKIQ-GHMZBOCLSA-N	0	1	287.316	-1.197	20	5		CABDMN
Cn1ncnc1CNCCNC(=O)[C@@H]1CC1[N+](=O)[O-]	ZINC001126936284	775733480	/nfs/dbraw/zinc/73/34/80/775733480.db2.gz	FAIYRMURSDOZIR-HTQZYQBOSA-N	0	1	268.277	-1.314	20	5		CABDMN
CCC(=O)NCC1(O)CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1	ZINC001041032067	776068800	/nfs/dbraw/zinc/06/88/00/776068800.db2.gz	FFQUJCJQPULSDL-HTQZYQBOSA-N	0	1	271.273	-1.249	20	5		CABDMN
NS(=O)(=O)N1CCC(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1	ZINC001168566895	776074879	/nfs/dbraw/zinc/07/48/79/776074879.db2.gz	VQXKYXWDKBPZDB-HTQZYQBOSA-N	0	1	292.317	-1.564	20	5		CABDMN
CC(C)C(=O)N1CC(O)(CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1	ZINC001042974416	776083795	/nfs/dbraw/zinc/08/37/95/776083795.db2.gz	FGLGJCJFUSNJIE-RKDXNWHRSA-N	0	1	285.300	-1.003	20	5		CABDMN
NC(=O)CC(=O)NC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCC1	ZINC001062989280	776270506	/nfs/dbraw/zinc/27/05/06/776270506.db2.gz	XORVWPOTRRWXMF-HTQZYQBOSA-N	0	1	298.299	-1.318	20	5		CABDMN
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NCc1nnnn1-c1c(F)c([N+](=O)[O-])cc[n+]1[O-]	ZINC001168918706	776518249	/nfs/dbraw/zinc/51/82/49/776518249.db2.gz	KJXPSOQFLSVCLN-UHFFFAOYSA-N	0	1	255.169	-1.198	20	5		CABDMN
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COCC(=O)N(C)C1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1	ZINC001285993486	777995865	/nfs/dbraw/zinc/99/58/65/777995865.db2.gz	KESKUBRFDSFQPS-RKDXNWHRSA-N	0	1	271.273	-1.033	20	5		CABDMN
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CN(CCCNC(=O)CC(N)=O)C(=O)[C@@H]1CC1[N+](=O)[O-]	ZINC001294001406	778061841	/nfs/dbraw/zinc/06/18/41/778061841.db2.gz	GOLCXLDRYUQDTB-HTQZYQBOSA-N	0	1	286.288	-1.508	20	5		CABDMN
CC(=O)NCC(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1	ZINC001295086212	778072016	/nfs/dbraw/zinc/07/20/16/778072016.db2.gz	UZVMNQIOORYYNB-ZYUZMQFOSA-N	0	1	298.299	-1.449	20	5		CABDMN
CN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)Cn1ncnn1	ZINC001296065190	778091014	/nfs/dbraw/zinc/09/10/14/778091014.db2.gz	OVENRIQQSYOKDE-HTQZYQBOSA-N	0	1	297.275	-2.087	20	5		CABDMN
CCN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)C(N)=O	ZINC001296301346	778094790	/nfs/dbraw/zinc/09/47/90/778094790.db2.gz	SMAAYEAKZHUZFP-RNFRBKRXSA-N	0	1	272.261	-1.898	20	5		CABDMN
O=C(Cn1cnc([N+](=O)[O-])n1)NCCN1CCC(O)CC1	ZINC001298012701	778114506	/nfs/dbraw/zinc/11/45/06/778114506.db2.gz	AMTDHBXTSFXBAQ-UHFFFAOYSA-N	0	1	298.303	-1.241	20	5		CABDMN
CNS(=O)(=O)CCNC(=O)[C@@H]1CC1[N+](=O)[O-]	ZINC001138308692	779730955	/nfs/dbraw/zinc/73/09/55/779730955.db2.gz	ZPWNRGPVYBDIOW-PHDIDXHHSA-N	0	1	251.264	-1.683	20	5		CABDMN
O=C(NCCCn1cc(CO)nn1)[C@@H]1CC1[N+](=O)[O-]	ZINC001141800535	779745004	/nfs/dbraw/zinc/74/50/04/779745004.db2.gz	CCMDSHNUBFXCLM-RKDXNWHRSA-N	0	1	269.261	-1.058	20	5		CABDMN
O=C(NC[C@@H](O)Cn1ccnn1)[C@@H]1CC1[N+](=O)[O-]	ZINC001141930892	779745101	/nfs/dbraw/zinc/74/51/01/779745101.db2.gz	OZCPKOSUYSGJJG-BWZBUEFSSA-N	0	1	255.234	-1.580	20	5		CABDMN
O=C(NC[C@H](O)Cn1ccnn1)[C@@H]1CC1[N+](=O)[O-]	ZINC001141930893	779745242	/nfs/dbraw/zinc/74/52/42/779745242.db2.gz	OZCPKOSUYSGJJG-XLPZGREQSA-N	0	1	255.234	-1.580	20	5		CABDMN
O=C([C@@H]1CC1[N+](=O)[O-])N1CCN2[C@H](CNS2(=O)=O)C1	ZINC001156620907	779888452	/nfs/dbraw/zinc/88/84/52/779888452.db2.gz	GJMBMGQDJAGNGW-BWZBUEFSSA-N	0	1	290.301	-1.988	20	5		CABDMN
COc1nc(-n2nnnc2CN)nc(OC)c1[N+](=O)[O-]	ZINC001158075367	779926572	/nfs/dbraw/zinc/92/65/72/779926572.db2.gz	VXWMUSGHLIMTRK-UHFFFAOYSA-N	0	1	282.220	-1.164	20	5		CABDMN
CS(=O)(=O)N(c1cc([N+](=O)[O-])cc[n+]1[O-])C1CNC1	ZINC001166966746	780099730	/nfs/dbraw/zinc/09/97/30/780099730.db2.gz	GXERVKVATKLRPX-UHFFFAOYSA-N	0	1	288.285	-1.034	20	5		CABDMN
C[N+](C)(C)C[C@H](O)CC(=O)Oc1nc(=O)[nH]c(=O)[n-]1	ZINC001227569184	780447441	/nfs/dbraw/zinc/44/74/41/780447441.db2.gz	UZDXNCSIXPGWCD-ZCFIWIBFSA-O	0	1	273.269	-1.355	20	5		CABDMN
C[N+](C)(C)C[C@H](O)CC(=O)Oc1c(=O)[n-]cnc1C(N)=O	ZINC001234469065	780485374	/nfs/dbraw/zinc/48/53/74/780485374.db2.gz	UJPPOKNTTHOIQP-SSDOTTSWSA-O	0	1	299.307	-1.356	20	5		CABDMN
CN(C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H]1CCNC1=O	ZINC001253712540	780594869	/nfs/dbraw/zinc/59/48/69/780594869.db2.gz	LORYHYWDRRQEMV-ZJUUUORDSA-N	0	1	283.288	-1.028	20	5		CABDMN
CN(C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H]1CCNC1=O	ZINC001253712536	780595122	/nfs/dbraw/zinc/59/51/22/780595122.db2.gz	LORYHYWDRRQEMV-UWVGGRQHSA-N	0	1	283.288	-1.028	20	5		CABDMN
O=C(NCC1(O)CN(CCCO)C1)[C@@H]1CC1[N+](=O)[O-]	ZINC001278864465	780613880	/nfs/dbraw/zinc/61/38/80/780613880.db2.gz	UZKLYEJTDBSZJQ-RKDXNWHRSA-N	0	1	273.289	-1.803	20	5		CABDMN
COC(=O)CN(C)CCNC(=O)[C@@H]1CC1[N+](=O)[O-]	ZINC001261361824	780663100	/nfs/dbraw/zinc/66/31/00/780663100.db2.gz	GDZZTUUIXPPFIF-HTQZYQBOSA-N	0	1	259.262	-1.127	20	5		CABDMN
O=C(Cc1cc[nH]n1)NCCNC(=O)[C@@H]1CC1[N+](=O)[O-]	ZINC001282952582	780834397	/nfs/dbraw/zinc/83/43/97/780834397.db2.gz	CBBNHQLYTMZIDA-RKDXNWHRSA-N	0	1	281.272	-1.150	20	5		CABDMN
O=C(NCCNC(=O)[C@@H]1CC1[N+](=O)[O-])c1ncccn1	ZINC001283005283	780837986	/nfs/dbraw/zinc/83/79/86/780837986.db2.gz	SFKONYZUPAYZAZ-HTQZYQBOSA-N	0	1	279.256	-1.012	20	5		CABDMN
CS(=O)(=O)N[C@@H]1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1	ZINC001136751284	781421951	/nfs/dbraw/zinc/42/19/51/781421951.db2.gz	BHZHQNHDXUFACI-BWZBUEFSSA-N	0	1	277.302	-1.198	20	5		CABDMN
Nc1nc(NCCNC(=O)c2cnn[nH]2)ncc1[N+](=O)[O-]	ZINC001094243611	781564704	/nfs/dbraw/zinc/56/47/04/781564704.db2.gz	WAFVQAPTYLIKSH-UHFFFAOYSA-N	0	1	293.247	-1.073	20	5		CABDMN
CN1CCN(C(=O)CNC(=O)c2n[nH]cc2[N+](=O)[O-])CC1	ZINC001181497056	781694724	/nfs/dbraw/zinc/69/47/24/781694724.db2.gz	NMZDLTCFLTUUAS-UHFFFAOYSA-N	0	1	296.287	-1.178	20	5		CABDMN
COC[C@@H](CO)NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-]	ZINC001351373848	886209725	/nfs/dbraw/zinc/20/97/25/886209725.db2.gz	KGXHLNYJNIMPAE-ZCFIWIBFSA-N	0	1	294.289	-1.386	20	5		CABDMN
Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCCOCCO)n1	ZINC001351371904	886206333	/nfs/dbraw/zinc/20/63/33/886206333.db2.gz	FNYFJAGQJJQICR-UHFFFAOYSA-N	0	1	294.289	-1.385	20	5		CABDMN
CCN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])Cc1nnnn1C	ZINC001317479167	884210208	/nfs/dbraw/zinc/21/02/08/884210208.db2.gz	BWUXCKONTNTNQR-RKDXNWHRSA-N	0	1	297.319	-1.187	20	5		CABDMN
CCN(CCNCc1nnn(C)n1)C(=O)[C@@H]1CC1[N+](=O)[O-]	ZINC001320735118	884446018	/nfs/dbraw/zinc/44/60/18/884446018.db2.gz	SCHSPQREZSJTOW-RKDXNWHRSA-N	0	1	297.319	-1.187	20	5		CABDMN
NC(=O)[C@@]1(O)CCN(CCn2cc([N+](=O)[O-])ccc2=O)C1	ZINC001324452614	884671118	/nfs/dbraw/zinc/67/11/18/884671118.db2.gz	QQEVFSNHJUFHEH-GFCCVEGCSA-N	0	1	296.283	-1.321	20	5		CABDMN
Cn1ncc([N+](=O)[O-])c1C(=O)NCC(=O)N1CCNCC1	ZINC001326049094	884763275	/nfs/dbraw/zinc/76/32/75/884763275.db2.gz	YVBIEUGXXJYHFG-UHFFFAOYSA-N	0	1	296.287	-1.510	20	5		CABDMN
NC(=O)[C@]1(O)CCN(CCn2cc([N+](=O)[O-])cn2)C1	ZINC001327836877	884932357	/nfs/dbraw/zinc/93/23/57/884932357.db2.gz	YZGVABIJMGCXIB-JTQLQIEISA-N	0	1	269.261	-1.287	20	5		CABDMN
CC(=O)NCCNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-]	ZINC001328739463	885021146	/nfs/dbraw/zinc/02/11/46/885021146.db2.gz	AVRBMAVCVRPXJT-UHFFFAOYSA-N	0	1	291.289	-1.257	20	5		CABDMN
O=C(NN1CCS(=O)(=O)CC1)c1n[nH]cc1[N+](=O)[O-]	ZINC001331807746	885351648	/nfs/dbraw/zinc/35/16/48/885351648.db2.gz	QABCKMQZBGTNES-UHFFFAOYSA-N	0	1	289.273	-1.307	20	5		CABDMN
O=C(Cn1cnc([N+](=O)[O-])n1)NCC(=O)N1CCNCC1	ZINC001331943370	885367450	/nfs/dbraw/zinc/36/74/50/885367450.db2.gz	OSAFKOAWLZUDNG-UHFFFAOYSA-N	0	1	297.275	-2.266	20	5		CABDMN
NC(=O)Cn1cc(NC(=O)[C@@H]2CC2[N+](=O)[O-])ccc1=O	ZINC001332539724	885418627	/nfs/dbraw/zinc/41/86/27/885418627.db2.gz	NEYQYVNCLYYKHG-HTQZYQBOSA-N	0	1	280.240	-1.063	20	5		CABDMN
CNC(=O)[C@@H](C)NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-]	ZINC001334954036	885573899	/nfs/dbraw/zinc/57/38/99/885573899.db2.gz	DLGJLDDZYXOPCI-RXMQYKEDSA-N	0	1	291.289	-1.259	20	5		CABDMN
Cn1nncc1C(=O)NCCNC(=O)[C@@H]1CC1[N+](=O)[O-]	ZINC001348886415	886106645	/nfs/dbraw/zinc/10/66/45/886106645.db2.gz	ALVUOQMYJBSMPZ-RNFRBKRXSA-N	0	1	282.260	-1.674	20	5		CABDMN
CC(=O)NCC(=O)NCCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-]	ZINC001355443773	886340882	/nfs/dbraw/zinc/34/08/82/886340882.db2.gz	CROCFHJXJJQYOV-RKDXNWHRSA-N	0	1	286.288	-1.638	20	5		CABDMN
CNC(=O)CC(=O)N1CC(N(C)C(=O)[C@@H]2CC2[N+](=O)[O-])C1	ZINC001358729343	886443137	/nfs/dbraw/zinc/44/31/37/886443137.db2.gz	SNGYUKWDRXUGKS-RKDXNWHRSA-N	0	1	298.299	-1.543	20	5		CABDMN
NC(=O)C1=NO[C@@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1	ZINC001447847474	891741862	/nfs/dbraw/zinc/74/18/62/891741862.db2.gz	ZIMXRIKQQPGSNN-WYDQCIBASA-N	0	1	256.218	-1.602	20	5		CABDMN
Cn1cnnc1[C@@H](CO)NC(=O)[C@@H]1CC1[N+](=O)[O-]	ZINC001453820521	891981842	/nfs/dbraw/zinc/98/18/42/891981842.db2.gz	DFCRHQKPXCHSFA-FSDSQADBSA-N	0	1	255.234	-1.370	20	5		CABDMN
O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCS(=O)(=O)CCO1	ZINC001463443351	892166670	/nfs/dbraw/zinc/16/66/70/892166670.db2.gz	ZZOKOSVGUNXKHO-RNFRBKRXSA-N	0	1	264.259	-1.160	20	5		CABDMN
Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]2COC(=O)C2)n1	ZINC001463789254	892174101	/nfs/dbraw/zinc/17/41/01/892174101.db2.gz	JHUMOMJXIBRNKX-YFKPBYRVSA-N	0	1	290.257	-1.078	20	5		CABDMN
O=C([C@@H]1CC1[N+](=O)[O-])N1CCN2C(=O)NC(=O)[C@@H]2C1	ZINC001465506642	892204850	/nfs/dbraw/zinc/20/48/50/892204850.db2.gz	KAUFKPSEQAQRPN-QYNIQEEDSA-N	0	1	268.229	-1.586	20	5		CABDMN
CN(CCS(N)(=O)=O)C(=O)[C@@H]1CC1[N+](=O)[O-]	ZINC001471682503	892366382	/nfs/dbraw/zinc/36/63/82/892366382.db2.gz	ILAQLPGRSSOYBM-PHDIDXHHSA-N	0	1	251.264	-1.602	20	5		CABDMN
O=C(NCCCN1CCNC(=O)C1)[C@@H]1CC1[N+](=O)[O-]	ZINC001472532140	892400597	/nfs/dbraw/zinc/40/05/97/892400597.db2.gz	FSIUWHKDPWSMLW-RKDXNWHRSA-N	0	1	270.289	-1.410	20	5		CABDMN
Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]2COC[C@@H]2O)n1	ZINC001475559064	892445325	/nfs/dbraw/zinc/44/53/25/892445325.db2.gz	BJYNAVBJPPMSAI-VDTYLAMSSA-N	0	1	292.273	-1.634	20	5		CABDMN
CN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])CC(=O)NC1CC1	ZINC001480863294	892553430	/nfs/dbraw/zinc/55/34/30/892553430.db2.gz	UCJBPMSWFGKXDM-NXEZZACHSA-N	0	1	284.316	-1.022	20	5		CABDMN
O=C(NC1CN(CCOCCO)C1)[C@@H]1CC1[N+](=O)[O-]	ZINC001481557231	892608105	/nfs/dbraw/zinc/60/81/05/892608105.db2.gz	JDMOTLXGQVHAHS-NXEZZACHSA-N	0	1	273.289	-1.539	20	5		CABDMN
Cn1ccc(CC(=O)NCCNC(=O)[C@@H]2CC2[N+](=O)[O-])n1	ZINC001491282154	893261205	/nfs/dbraw/zinc/26/12/05/893261205.db2.gz	GWUFWACMPIMBHV-NXEZZACHSA-N	0	1	295.299	-1.140	20	5		CABDMN
COCC(=O)NCCCNC(=O)[C@@H]1CC1[N+](=O)[O-]	ZINC001491556491	893291324	/nfs/dbraw/zinc/29/13/24/893291324.db2.gz	ZRJKNGCRCCXAAF-HTQZYQBOSA-N	0	1	259.262	-1.080	20	5		CABDMN
NC(=O)CCCC(=O)NC1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1	ZINC001498270428	893667985	/nfs/dbraw/zinc/66/79/85/893667985.db2.gz	UVNHEZVOYWRXPX-RKDXNWHRSA-N	0	1	298.299	-1.366	20	5		CABDMN
CN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)c1nnn(C)n1	ZINC001528110289	894323855	/nfs/dbraw/zinc/32/38/55/894323855.db2.gz	HPIQSSWRELQHCI-RNFRBKRXSA-N	0	1	297.275	-1.937	20	5		CABDMN
CCN(CCNC(=O)C(N)=O)C(=O)[C@@H]1CC1[N+](=O)[O-]	ZINC001529070461	894344034	/nfs/dbraw/zinc/34/40/34/894344034.db2.gz	SZKPXSDEZOUDPQ-RNFRBKRXSA-N	0	1	272.261	-1.898	20	5		CABDMN
CC(=O)NCC(=O)N1CC(CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1	ZINC001530753897	894371110	/nfs/dbraw/zinc/37/11/10/894371110.db2.gz	XRUDUVXLNFTJIO-NXEZZACHSA-N	0	1	298.299	-1.638	20	5		CABDMN
O=C(NC[C@@]12COCCN1C(=O)COC2)[C@@H]1CC1[N+](=O)[O-]	ZINC001535537333	894434727	/nfs/dbraw/zinc/43/47/27/894434727.db2.gz	CJNFMYDLRCAOSH-LNLATYFQSA-N	0	1	299.283	-1.604	20	5		CABDMN
O=C([C@@H]1CC1[N+](=O)[O-])N1CCC(=O)NCC12COC2	ZINC001536806325	894444143	/nfs/dbraw/zinc/44/41/43/894444143.db2.gz	RHPPERMQQMXIBP-HTQZYQBOSA-N	0	1	269.257	-1.231	20	5		CABDMN
CO[C@@]1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCS(=O)(=O)C1	ZINC001538274025	894449989	/nfs/dbraw/zinc/44/99/89/894449989.db2.gz	IUCRDRLRLNZLQW-NQMVMOMDSA-N	0	1	292.313	-1.029	20	5		CABDMN
O=C(NCCN1CCCS1(=O)=O)[C@@H]1CC1[N+](=O)[O-]	ZINC001539300386	894454049	/nfs/dbraw/zinc/45/40/49/894454049.db2.gz	ORXXTNUFXQBVPI-HTQZYQBOSA-N	0	1	277.302	-1.197	20	5		CABDMN
O=C(NCC1(O)CCS(=O)(=O)CC1)[C@@H]1CC1[N+](=O)[O-]	ZINC001556582791	894581239	/nfs/dbraw/zinc/58/12/39/894581239.db2.gz	CGIIOEVUWPGJPX-HTQZYQBOSA-N	0	1	292.313	-1.293	20	5		CABDMN
O=C(NC[C@@]1(O)CCS(=O)(=O)C1)[C@@H]1CC1[N+](=O)[O-]	ZINC001556634347	894582279	/nfs/dbraw/zinc/58/22/79/894582279.db2.gz	IZIPWTIOZJROGV-BHNWBGBOSA-N	0	1	278.286	-1.683	20	5		CABDMN
Cn1nncc1C1(O)CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1	ZINC001558091628	894613461	/nfs/dbraw/zinc/61/34/61/894613461.db2.gz	NZNBKYRSJSHZGZ-RNFRBKRXSA-N	0	1	267.245	-1.490	20	5		CABDMN
C[N@@H+](CCNC(=O)Cn1cnc([N+](=O)[O-])n1)CC(=O)[O-]	ZINC001598490335	992279634	/nfs/dbraw/zinc/27/96/34/992279634.db2.gz	CEYRYEABOCPPPE-UHFFFAOYSA-N	0	1	286.248	-1.681	20	5		CABDMN
CC1(C(N)=O)CN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1	ZINC000564917176	373020278	/nfs/dbraw/zinc/02/02/78/373020278.db2.gz	YKDQFWSAMVGWFN-SECBINFHSA-N	0	1	283.288	-1.041	20	5		CABDMN
CC1(C(N)=O)CN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1	ZINC000564917177	373021062	/nfs/dbraw/zinc/02/10/62/373021062.db2.gz	YKDQFWSAMVGWFN-VIFPVBQESA-N	0	1	283.288	-1.041	20	5		CABDMN
CN(CC(=O)N1CCNCC1)C(=O)c1cc([N+](=O)[O-])n[nH]1	ZINC000580320583	373023141	/nfs/dbraw/zinc/02/31/41/373023141.db2.gz	MORWHDOIFUCPQC-UHFFFAOYSA-N	0	1	296.287	-1.178	20	5		CABDMN
CCNC(=O)CNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-]	ZINC000599204178	373172128	/nfs/dbraw/zinc/17/21/28/373172128.db2.gz	AGXZKIZJJFKEJZ-UHFFFAOYSA-N	0	1	291.289	-1.257	20	5		CABDMN
Cn1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2CC[NH2+]C2)n1	ZINC000599098359	373169146	/nfs/dbraw/zinc/16/91/46/373169146.db2.gz	SHONIBVKCHQDOA-ZCFIWIBFSA-N	0	1	275.290	-1.032	20	5		CABDMN
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Cn1nnc(CN[C@H]2C[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)n1	ZINC001020138978	657290942	/nfs/dbraw/zinc/29/09/42/657290942.db2.gz	KVAPYKFFAVVCJM-FNCVBFRFSA-N	0	1	295.303	-1.388	20	5		CABDMN
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CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(CC(N)=O)C1	ZINC001042705181	782343088	/nfs/dbraw/zinc/34/30/88/782343088.db2.gz	LBABZGAZBJZTJG-HTQZYQBOSA-N	0	1	256.262	-1.721	20	5		CABDMN
NC(=O)C(=O)NCC1(O)CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1	ZINC001045521692	782426053	/nfs/dbraw/zinc/42/60/53/782426053.db2.gz	LZUVOWXXEYYGDG-PHDIDXHHSA-N	0	1	286.244	-3.174	20	5		CABDMN
CCC(=O)N(CCO)CCNC(=O)[C@@H]1CC1[N+](=O)[O-]	ZINC001056725199	782628458	/nfs/dbraw/zinc/62/84/58/782628458.db2.gz	HCYVPNWBAKSMIV-RKDXNWHRSA-N	0	1	273.289	-1.001	20	5		CABDMN
COCC(=O)N(CCO)CCNC(=O)[C@@H]1CC1[N+](=O)[O-]	ZINC001056784307	782636365	/nfs/dbraw/zinc/63/63/65/782636365.db2.gz	IGORLQKMWMIISO-RKDXNWHRSA-N	0	1	289.288	-1.765	20	5		CABDMN
CC(=O)NCCN(CCO)C(=O)[C@@H]1CC1[N+](=O)[O-]	ZINC001057543686	782670580	/nfs/dbraw/zinc/67/05/80/782670580.db2.gz	STKVWOMJFMPQSI-RKDXNWHRSA-N	0	1	259.262	-1.391	20	5		CABDMN
CC(=O)NCC(=O)NC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1	ZINC001299160566	775193338	/nfs/dbraw/zinc/19/33/38/775193338.db2.gz	SONQHYWVJYGHBM-RKDXNWHRSA-N	0	1	298.299	-1.447	20	5		CABDMN
CS(=O)(=O)N1CC(CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1	ZINC001269986676	775520050	/nfs/dbraw/zinc/52/00/50/775520050.db2.gz	KTOVLZIJMKWDKQ-HTQZYQBOSA-N	0	1	277.302	-1.341	20	5		CABDMN
CCOCCN1CC(O)(CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1	ZINC001271281680	775600387	/nfs/dbraw/zinc/60/03/87/775600387.db2.gz	DIGVCTBEYCAVOT-NXEZZACHSA-N	0	1	287.316	-1.149	20	5		CABDMN
CN(CCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-])Cc1nnn(C)n1	ZINC001272013603	775638066	/nfs/dbraw/zinc/63/80/66/775638066.db2.gz	MYEPBZRJSIFXNP-RKDXNWHRSA-N	0	1	297.319	-1.235	20	5		CABDMN
O=C(NCCNCc1cnon1)[C@@H]1CC1[N+](=O)[O-]	ZINC001126936428	775734325	/nfs/dbraw/zinc/73/43/25/775734325.db2.gz	HFUPBGBKGRBGKL-HTQZYQBOSA-N	0	1	255.234	-1.059	20	5		CABDMN
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NC(=O)CC(=O)NCC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCC1	ZINC001062733710	776267491	/nfs/dbraw/zinc/26/74/91/776267491.db2.gz	PJQVCISOBNBYCI-HTQZYQBOSA-N	0	1	298.299	-1.318	20	5		CABDMN
NC(=O)C(=O)NCC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCC1	ZINC001064289657	776280685	/nfs/dbraw/zinc/28/06/85/776280685.db2.gz	DXUHHOACPBZSIR-RNFRBKRXSA-N	0	1	284.272	-1.708	20	5		CABDMN
CCN(C(=O)C(N)=O)C1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1	ZINC001080400639	776327639	/nfs/dbraw/zinc/32/76/39/776327639.db2.gz	RJZXFEMVWKHRDH-HTQZYQBOSA-N	0	1	284.272	-1.804	20	5		CABDMN
NCc1nnnn1-c1nccc(C(N)=O)c1[N+](=O)[O-]	ZINC001168920920	776518202	/nfs/dbraw/zinc/51/82/02/776518202.db2.gz	LEKYXYLMKGCMOY-UHFFFAOYSA-N	0	1	264.205	-1.477	20	5		CABDMN
CS(=O)(=O)C[C@@H]1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])CCO1	ZINC001134519374	776820287	/nfs/dbraw/zinc/82/02/87/776820287.db2.gz	GMAZZQHQMOTVKI-DJLDLDEBSA-N	0	1	292.313	-1.076	20	5		CABDMN
CN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)Cc1nnc[nH]1	ZINC001284521781	777949103	/nfs/dbraw/zinc/94/91/03/777949103.db2.gz	KPYQUYRZEINCAN-HTQZYQBOSA-N	0	1	296.287	-1.413	20	5		CABDMN
O=C(CCn1cncn1)NCCNC(=O)[C@@H]1CC1[N+](=O)[O-]	ZINC001292511164	778036372	/nfs/dbraw/zinc/03/63/72/778036372.db2.gz	TYKCDZQFUZXEGS-RKDXNWHRSA-N	0	1	296.287	-1.434	20	5		CABDMN
CS(=O)(=O)CC(=O)NCCNC(=O)[C@@H]1CC1[N+](=O)[O-]	ZINC001292549123	778038584	/nfs/dbraw/zinc/03/85/84/778038584.db2.gz	HCFOUZDYHLMNBG-RNFRBKRXSA-N	0	1	293.301	-2.071	20	5		CABDMN
COCC(=O)NCC1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1	ZINC001297161105	778105369	/nfs/dbraw/zinc/10/53/69/778105369.db2.gz	ZTNLBJPQTHHWGO-RKDXNWHRSA-N	0	1	271.273	-1.127	20	5		CABDMN
CNC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001303200363	778139383	/nfs/dbraw/zinc/13/93/83/778139383.db2.gz	KBQXXFOCXQZLSM-HRDYMLBCSA-N	0	1	281.272	-1.152	20	5		CABDMN
Cc1n[nH]c(C(=O)NCC(=O)N2CCNCC2)c1[N+](=O)[O-]	ZINC001118139873	779549723	/nfs/dbraw/zinc/54/97/23/779549723.db2.gz	ZWNPGRHNWHNZBJ-UHFFFAOYSA-N	0	1	296.287	-1.212	20	5		CABDMN
O=C([C@@H]1CC1[N+](=O)[O-])N1CCC2(CC1)NC(=O)NC2=O	ZINC001141325952	779740677	/nfs/dbraw/zinc/74/06/77/779740677.db2.gz	ARFOEKLWNUDHOQ-RNFRBKRXSA-N	0	1	282.256	-1.148	20	5		CABDMN
COc1nc(-n2nnnc2CN)ncc1[N+](=O)[O-]	ZINC001158074381	779924762	/nfs/dbraw/zinc/92/47/62/779924762.db2.gz	CNIJRTGSQVRHBA-UHFFFAOYSA-N	0	1	252.194	-1.172	20	5		CABDMN
Cc1c([N+](=O)[O-])cc[n+]([O-])c1-n1nnnc1CN	ZINC001158077442	779926432	/nfs/dbraw/zinc/92/64/32/779926432.db2.gz	PWAJNCSWRQOWAV-UHFFFAOYSA-N	0	1	251.206	-1.029	20	5		CABDMN
Nc1nc(N2CCNC(=O)C23CNC3)ccc1[N+](=O)[O-]	ZINC001165298271	780077321	/nfs/dbraw/zinc/07/73/21/780077321.db2.gz	MDJRENWABXHRBG-UHFFFAOYSA-N	0	1	278.272	-1.150	20	5		CABDMN
Nc1cc([N+](=O)[O-])cnc1N1CCNC(=O)C12CNC2	ZINC001165301865	780079179	/nfs/dbraw/zinc/07/91/79/780079179.db2.gz	DIVWNHUJWSEBSN-UHFFFAOYSA-N	0	1	278.272	-1.150	20	5		CABDMN
O=[N+]([O-])c1cnn(C[C@H](O)CN2C[C@@H](O)[C@@H](O)C2)c1	ZINC001253346640	780591719	/nfs/dbraw/zinc/59/17/19/780591719.db2.gz	RRRATFIZDQICTB-BBBLOLIVSA-N	0	1	272.261	-1.810	20	5		CABDMN
CN(CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])Cc1nnnn1C	ZINC001264984966	780740060	/nfs/dbraw/zinc/74/00/60/780740060.db2.gz	IOONRGAYIYEDGM-RKDXNWHRSA-N	0	1	297.319	-1.187	20	5		CABDMN
COCCN1CC(CCO)(NC(=O)[C@@H]2CC2[N+](=O)[O-])C1	ZINC001282511389	780821760	/nfs/dbraw/zinc/82/17/60/780821760.db2.gz	SKXQEBOGECGLBA-NXEZZACHSA-N	0	1	287.316	-1.149	20	5		CABDMN
CN(C)C(=O)CC(=O)NCCNC(=O)[C@@H]1CC1[N+](=O)[O-]	ZINC001283005108	780838283	/nfs/dbraw/zinc/83/82/83/780838283.db2.gz	OGZFZBDSZLYAHY-HTQZYQBOSA-N	0	1	286.288	-1.638	20	5		CABDMN
NS(=O)(=O)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1	ZINC001136620544	781412935	/nfs/dbraw/zinc/41/29/35/781412935.db2.gz	RFNJHJJCJTTZPW-HTQZYQBOSA-N	0	1	277.302	-1.069	20	5		CABDMN
CS(=O)(=O)N[C@H]1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1	ZINC001136751285	781422222	/nfs/dbraw/zinc/42/22/22/781422222.db2.gz	BHZHQNHDXUFACI-XLPZGREQSA-N	0	1	277.302	-1.198	20	5		CABDMN
Nc1nc(NCCNC(=O)c2ncn[nH]2)ncc1[N+](=O)[O-]	ZINC001093793553	781560645	/nfs/dbraw/zinc/56/06/45/781560645.db2.gz	VSIDRHPYDGBCAZ-UHFFFAOYSA-N	0	1	293.247	-1.073	20	5		CABDMN
Nc1nc(NCCNC(=O)c2nc[nH]n2)ncc1[N+](=O)[O-]	ZINC001093793553	781560650	/nfs/dbraw/zinc/56/06/50/781560650.db2.gz	VSIDRHPYDGBCAZ-UHFFFAOYSA-N	0	1	293.247	-1.073	20	5		CABDMN
CN1CCN(C(=O)CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1	ZINC001181497141	781695052	/nfs/dbraw/zinc/69/50/52/781695052.db2.gz	PRHBAVDYSKFRHB-RKDXNWHRSA-N	0	1	270.289	-1.458	20	5		CABDMN