smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
N#Cc1c2c(cnc1N1CC[C@@H]3[C@H]1CC[N@@H+]3Cc1cccnc1)C[NH2+]CCC2	ZINC001164723635	720330549	/nfs/dbraw/zinc/33/05/49/720330549.db2.gz	IHKGSIHGOPRAMG-NHCUHLMSSA-N	2	0	374.492	2.237	20	30		FEEDRP
CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1cccc(NC(=O)N2CCCC2)c1	ZINC000104177154	543125383	/nfs/dbraw/zinc/12/53/83/543125383.db2.gz	PVRUKUVPZMTWLC-SFHVURJKSA-N	2	0	372.517	2.203	20	30		FEEDRP
C=C(C)C[NH+]1CCC(NC(=O)c2ccc(CN3CC[NH+](C)CC3)cc2)CC1	ZINC000106290949	543221790	/nfs/dbraw/zinc/22/17/90/543221790.db2.gz	NANNPDLEQJJFRZ-UHFFFAOYSA-N	2	0	370.541	2.204	20	30		FEEDRP
CCO[C@H](CC[NH+](C)C)C[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1	ZINC000180285477	327679426	/nfs/dbraw/zinc/67/94/26/327679426.db2.gz	AKTUSNIEWPCCPN-LJQANCHMSA-N	2	0	355.486	2.405	20	30		FEEDRP
[NH2+]=C(NCCCC[NH+]1CCN(c2ccccc2)CC1)Nc1ccccn1	ZINC000170904358	546181473	/nfs/dbraw/zinc/18/14/73/546181473.db2.gz	WLDSVOWZGMGMBJ-UHFFFAOYSA-N	2	0	352.486	2.411	20	30		FEEDRP
N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]CCCC[NH+]1CCN(CCO)CC1	ZINC000481662108	561238111	/nfs/dbraw/zinc/23/81/11/561238111.db2.gz	UUQAWIHBGVDXST-QFIPXVFZSA-N	2	0	370.541	2.305	20	30		FEEDRP
C=CCN(Cc1cccc(C#N)c1)C(=O)NCCN1CCC([NH+](C)C)CC1	ZINC000179315226	546929539	/nfs/dbraw/zinc/92/95/39/546929539.db2.gz	QZZCWOVXFXLXHO-UHFFFAOYSA-N	2	0	369.513	2.282	20	30		FEEDRP
C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@@H](CN2CCOCC2)C1	ZINC000246625250	549178043	/nfs/dbraw/zinc/17/80/43/549178043.db2.gz	NPPCDYAULFLIFR-FPOVZHCZSA-N	2	0	374.525	2.199	20	30		FEEDRP
COC[C@H](C)NC(=[NH2+])NC[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1	ZINC000270535834	550281047	/nfs/dbraw/zinc/28/10/47/550281047.db2.gz	AIZXXADZBLAEEY-NORZTCDRSA-N	2	0	356.873	2.411	20	30		FEEDRP
COc1ccc(NC(=[NH2+])NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)cc1	ZINC000273015955	550480944	/nfs/dbraw/zinc/48/09/44/550480944.db2.gz	WKTCPUJWYQXXRO-GOSISDBHSA-N	2	0	354.454	2.189	20	30		FEEDRP
C#CC[NH+]1CCC(C(=O)N2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)CC1	ZINC000288360209	552140297	/nfs/dbraw/zinc/14/02/97/552140297.db2.gz	KOTJJSQSNQVGCP-HSZRJFAPSA-N	2	0	365.521	2.456	20	30		FEEDRP
COc1ccccc1CNC(=[NH2+])NCc1ccncc1OCCC[NH+](C)C	ZINC000288785155	552212384	/nfs/dbraw/zinc/21/23/84/552212384.db2.gz	WVFLKIDHTGDKKK-UHFFFAOYSA-N	2	0	371.485	2.025	20	30		FEEDRP
O=C(NCC1([NH+]2CCOCC2)CCCCC1)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12	ZINC000328645723	553802051	/nfs/dbraw/zinc/80/20/51/553802051.db2.gz	GNMREDBKWINCPO-MSOLQXFVSA-N	2	0	364.534	2.152	20	30		FEEDRP
C[C@@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C)[NH+]1CCCCCC1	ZINC000329172506	553894866	/nfs/dbraw/zinc/89/48/66/553894866.db2.gz	AGHDRBOJLNWFBE-OOKSDGMUSA-N	2	0	364.534	2.291	20	30		FEEDRP
CCN1CCN(C(=O)N[C@H](C)C[N@@H+]2CCC[C@H](C)C2)C[C@H]1c1ncc[nH]1	ZINC000329956035	554038642	/nfs/dbraw/zinc/03/86/42/554038642.db2.gz	KZXPLBSAFHJCAR-BBWFWOEESA-N	2	0	362.522	2.123	20	30		FEEDRP
C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCC(N2CC[NH+](CCC)CC2)CC1	ZINC000369153678	556518853	/nfs/dbraw/zinc/51/88/53/556518853.db2.gz	DNOGLOCWTVFVQY-LJQANCHMSA-N	2	0	364.578	2.292	20	30		FEEDRP
C[C@@H]1CN(C(=O)Nc2ccc(CC#N)cc2)CCN1C1CC[NH+](C)CC1	ZINC000376810609	558224359	/nfs/dbraw/zinc/22/43/59/558224359.db2.gz	JPCXFRLDHKBAHI-MRXNPFEDSA-N	2	0	355.486	2.385	20	30		FEEDRP
CC1(C[NH+]2CCOCC2)CC[NH+](CCC(=O)Nc2ccc(C#N)cc2)CC1	ZINC000378272094	558516794	/nfs/dbraw/zinc/51/67/94/558516794.db2.gz	LZUFLBOHXATLPA-UHFFFAOYSA-N	2	0	370.497	2.321	20	30		FEEDRP
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NCC[C@@H]1CCC[NH2+]C1	ZINC000418352585	559398638	/nfs/dbraw/zinc/39/86/38/559398638.db2.gz	TYYVRUHQBMPWDN-SFHVURJKSA-N	2	0	357.502	2.021	20	30		FEEDRP
O[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH+]1CC#CC[N@H+]1CCC[C@@H]1[C@H]1CCC[C@@H]1O	ZINC000451414498	560305576	/nfs/dbraw/zinc/30/55/76/560305576.db2.gz	DDBXFMYWJUSBKQ-YGBDOONVSA-N	2	0	360.542	2.241	20	30		FEEDRP
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NCC[C@H]1CCC[N@H+](C)C1	ZINC000459251821	560676152	/nfs/dbraw/zinc/67/61/52/560676152.db2.gz	GMSJHCZPFCDWCS-LJQANCHMSA-N	2	0	371.529	2.363	20	30		FEEDRP
CC(C)[N@@H+](C)C[C@H](C)NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1	ZINC000462006165	560791930	/nfs/dbraw/zinc/79/19/30/560791930.db2.gz	VHRWUWQYQGGSEK-KRWDZBQOSA-N	2	0	359.518	2.360	20	30		FEEDRP
N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F	ZINC000591580700	672691813	/nfs/dbraw/zinc/69/18/13/672691813.db2.gz	NKZADKGPCFCTNL-IRXDYDNUSA-N	2	0	352.404	2.361	20	30		FEEDRP
CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCOc1cccc(Br)c1	ZINC000303895140	673018452	/nfs/dbraw/zinc/01/84/52/673018452.db2.gz	SZMVGSZNBDVOTQ-AWEZNQCLSA-N	2	0	369.307	2.217	20	30		FEEDRP
N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1	ZINC000846313145	681223988	/nfs/dbraw/zinc/22/39/88/681223988.db2.gz	KJSMCYMXNXZXIX-YOEHRIQHSA-N	2	0	359.499	2.108	20	30		FEEDRP
C[C@@H](C[NH2+]Cc1cc(C#N)ccc1Br)N1CC[NH+](C)CC1	ZINC000921690014	683543922	/nfs/dbraw/zinc/54/39/22/683543922.db2.gz	NUTXSJSQHMOKPQ-ZDUSSCGKSA-N	2	0	351.292	2.046	20	30		FEEDRP
C=C(Cl)C[C@@H]([NH3+])C(=O)Nc1cccc(C(=O)OC2CC[NH2+]CC2)c1	ZINC000876520177	686214345	/nfs/dbraw/zinc/21/43/45/686214345.db2.gz	RSKWHBGOWAJWRL-OAHLLOKOSA-N	2	0	351.834	2.004	20	30		FEEDRP
C=C(Cl)C[C@H]([NH3+])C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1OCC	ZINC000876784806	686268463	/nfs/dbraw/zinc/26/84/63/686268463.db2.gz	KKZZTQAVEFWFJN-HNNXBMFYSA-N	2	0	366.893	2.246	20	30		FEEDRP
N#Cc1cc(Cl)cc(C[N@@H+]2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)c1	ZINC000903446157	690894263	/nfs/dbraw/zinc/89/42/63/690894263.db2.gz	UJEWXPNUOULTNU-KSSFIOAISA-N	2	0	360.889	2.292	20	30		FEEDRP
C[C@H](CC[NH+](C)C)NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1	ZINC000062507338	541150044	/nfs/dbraw/zinc/15/00/44/541150044.db2.gz	VKJPONMQUZLJJS-QGZVFWFLSA-N	2	0	357.502	2.116	20	30		FEEDRP
C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)[C@H]1C[C@H]2CCCC[N@@H+]2C1	ZINC000081613820	542668172	/nfs/dbraw/zinc/66/81/72/542668172.db2.gz	QURVZBMYMAIAER-VQTJNVASSA-N	2	0	354.498	2.323	20	30		FEEDRP
C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)[C@H]1C[C@@H]2CCCC[N@@H+]2C1	ZINC000081613816	542668358	/nfs/dbraw/zinc/66/83/58/542668358.db2.gz	QURVZBMYMAIAER-PMACEKPBSA-N	2	0	354.498	2.323	20	30		FEEDRP
C=CCc1cc(C[N@H+]2CC[C@@H](N3CC[NH+](CC)CC3)C2)cc(OC)c1O	ZINC000093132884	542911362	/nfs/dbraw/zinc/91/13/62/542911362.db2.gz	KMKVIWJDZVVNFJ-LJQANCHMSA-N	2	0	359.514	2.341	20	30		FEEDRP
C#CC[NH+]1CCC(C(=O)NCC2([NH+]3CCSCC3)CCCCC2)CC1	ZINC000112186477	543433512	/nfs/dbraw/zinc/43/35/12/543433512.db2.gz	MIYNOETYHWFMFX-UHFFFAOYSA-N	2	0	363.571	2.200	20	30		FEEDRP
C[C@H](CCN1CC[NH+](C)CC1)[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1	ZINC000186577407	327969034	/nfs/dbraw/zinc/96/90/34/327969034.db2.gz	SPQVLDGWZINKNQ-LJQANCHMSA-N	2	0	369.557	2.138	20	30		FEEDRP
C#CC[NH+]1CCC(C(=O)NC2CC[NH+]([C@@H](C)c3ccncc3)CC2)CC1	ZINC000155349569	545515624	/nfs/dbraw/zinc/51/56/24/545515624.db2.gz	JUUAXSJZJDNRLD-KRWDZBQOSA-N	2	0	354.498	2.068	20	30		FEEDRP
CC[NH+]1CCN(Cc2ccccc2CNC(=[NH2+])Nc2ccccn2)CC1	ZINC000170912535	546182718	/nfs/dbraw/zinc/18/27/18/546182718.db2.gz	WCJUJNNLSZIXCM-UHFFFAOYSA-N	2	0	352.486	2.146	20	30		FEEDRP
C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1	ZINC000171305600	546202818	/nfs/dbraw/zinc/20/28/18/546202818.db2.gz	IKWAVUVSUXXHMP-FHWLQOOXSA-N	2	0	363.546	2.397	20	30		FEEDRP
C=CC[NH+]1CCC(NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)CC1	ZINC000171736690	546223705	/nfs/dbraw/zinc/22/37/05/546223705.db2.gz	SXYSWINOTYEKKI-UHFFFAOYSA-N	2	0	369.513	2.282	20	30		FEEDRP
N#Cc1ccc(CN2CCC([NH2+]CCCC[N@H+]3CCC[C@@H]3CO)CC2)cc1	ZINC000181733081	547369621	/nfs/dbraw/zinc/36/96/21/547369621.db2.gz	FRNXIIATBKPJEW-JOCHJYFZSA-N	2	0	370.541	2.349	20	30		FEEDRP
C[NH+]=C(N[C@@H]1C[C@](C)(OC)C1(C)C)NC1CC[NH+](Cc2ccccn2)CC1	ZINC000262371057	549814998	/nfs/dbraw/zinc/81/49/98/549814998.db2.gz	IPHHUVNJXLBMBC-NQIIRXRSSA-N	2	0	373.545	2.415	20	30		FEEDRP
C=CC[NH+]1CCC(NC(=O)NCCc2ccc(OCC[NH+](C)C)cc2)CC1	ZINC000264398217	549995270	/nfs/dbraw/zinc/99/52/70/549995270.db2.gz	YWLQDLZYOLWLBV-UHFFFAOYSA-N	2	0	374.529	2.119	20	30		FEEDRP
N#Cc1ccc(N2CCC([NH2+]CCCC[N@H+]3CCC[C@H]3CO)CC2)cc1	ZINC000286239864	551864758	/nfs/dbraw/zinc/86/47/58/551864758.db2.gz	TYERQOVMUPKABW-NRFANRHFSA-N	2	0	356.514	2.354	20	30		FEEDRP
CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@H](C)Oc1ccc(C#N)cc1	ZINC000505756243	561679516	/nfs/dbraw/zinc/67/95/16/561679516.db2.gz	ZIBJKMQRUPCEGL-PKOBYXMFSA-N	2	0	372.513	2.200	20	30		FEEDRP
CN(CC(=O)NC1CC[NH+](C2CC2)CC1)[C@@H]1CCN(c2ccccc2)C1=O	ZINC000329198017	553900405	/nfs/dbraw/zinc/90/04/05/553900405.db2.gz	AFYFYZXTBNPCLE-LJQANCHMSA-N	2	0	370.497	2.307	20	30		FEEDRP
C[C@@H](C[NH+]1CCOCC1)C(=O)Nc1ccccc1C[NH+]1CCC(O)CC1	ZINC000329369659	553933792	/nfs/dbraw/zinc/93/37/92/553933792.db2.gz	JOFYHQYSKAJUQH-INIZCTEOSA-N	2	0	361.486	2.200	20	30		FEEDRP
C[N@H+](C[C@H]1CC12CC[NH+](C[C@H](O)COc1ccc(C#N)cc1)CC2)C1CC1	ZINC000362618196	554975791	/nfs/dbraw/zinc/97/57/91/554975791.db2.gz	WYQOMWDITWQBCJ-QUCCMNQESA-N	2	0	369.509	2.494	20	30		FEEDRP
C#CCOc1ccccc1NC(=O)N1CCN(C2CC[NH+](C)CC2)[C@H](C)C1	ZINC000364339993	555294571	/nfs/dbraw/zinc/29/45/71/555294571.db2.gz	FLXAUBQJJOUNSJ-QGZVFWFLSA-N	2	0	370.497	2.331	20	30		FEEDRP
COc1ccc([C@H](CCC#N)[NH2+][C@H]2CCN(CCN3CCOCC3)C2)cc1	ZINC000365732729	555654173	/nfs/dbraw/zinc/65/41/73/555654173.db2.gz	GDRWUBMPRJWEIG-FPOVZHCZSA-N	2	0	372.513	2.036	20	30		FEEDRP
CN(CCC#N)C[C@H](O)C[NH2+]C[C@H]1CCCC[N@H+](Cc2ccccc2)C1	ZINC000517129665	562076635	/nfs/dbraw/zinc/07/66/35/562076635.db2.gz	INIIHLWNCALRQZ-NHCUHLMSSA-N	2	0	358.530	2.085	20	30		FEEDRP
CN1c2ccccc2N(C)C1=C1C(=N)N([C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1=O	ZINC000371439154	557187372	/nfs/dbraw/zinc/18/73/72/557187372.db2.gz	SJBMKFACVKIOPE-HUUCEWRRSA-N	2	0	365.481	2.273	20	30		FEEDRP
N#Cc1ncn(CC[NH2+][C@@H]2CCCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)n1	ZINC000376122236	558129692	/nfs/dbraw/zinc/12/96/92/558129692.db2.gz	GHWOMCYEVHSMCF-VAMGGRTRSA-N	2	0	364.497	2.430	20	30		FEEDRP
N#Cc1ccc(CN2CCC([NH2+][C@H]3CCO[C@]4(CCOC4)C3)CC2)cc1	ZINC000376163154	558135438	/nfs/dbraw/zinc/13/54/38/558135438.db2.gz	QOANBAQMKDQNOO-LEWJYISDSA-N	2	0	355.482	2.450	20	30		FEEDRP
CCC([NH3+])(CC)CNC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1	ZINC000418445196	559401902	/nfs/dbraw/zinc/40/19/02/559401902.db2.gz	XREKLWIAZCHSSA-UHFFFAOYSA-N	2	0	357.502	2.293	20	30		FEEDRP
C=CC[NH+](CC=C)[C@@H](CNC(=O)c1cnn([C@@H]2CCC[NH2+]C2)c1)C(C)C	ZINC000423351372	559626337	/nfs/dbraw/zinc/62/63/37/559626337.db2.gz	YZHZHVHKBNQOKK-MOPGFXCFSA-N	2	0	359.518	2.236	20	30		FEEDRP
C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2CCC(=O)Nc1cccc(C#N)c1	ZINC000441250368	560027259	/nfs/dbraw/zinc/02/72/59/560027259.db2.gz	QIQXFDWTIHSMKZ-QRVBRYPASA-N	2	0	356.470	2.070	20	30		FEEDRP
N#CCCN(CCC#N)C(=O)C[NH+]1CCC(CCC[NH+]2CCCC2)CC1	ZINC000443600031	560088134	/nfs/dbraw/zinc/08/81/34/560088134.db2.gz	KVKKCJAYQHUQLD-UHFFFAOYSA-N	2	0	359.518	2.230	20	30		FEEDRP
C[NH+]=C(NCc1nccn1C)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1	ZINC000262390773	672914796	/nfs/dbraw/zinc/91/47/96/672914796.db2.gz	MXAFGBHVXFPLHL-WMLDXEAASA-N	2	0	360.531	2.230	20	30		FEEDRP
CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1cc(Br)ccc1OC	ZINC000303989628	673019748	/nfs/dbraw/zinc/01/97/48/673019748.db2.gz	XSMLCKGLAHPNOU-AWEZNQCLSA-N	2	0	369.307	2.346	20	30		FEEDRP
C[C@@H]1[C@H](C(=O)N2CCC[C@H](C[NH2+]Cc3ccc(C#N)s3)C2)CC[N@@H+]1C	ZINC001023994044	680277187	/nfs/dbraw/zinc/27/71/87/680277187.db2.gz	XNDPEXWLNQIGNL-IIDMSEBBSA-N	2	0	360.527	2.288	20	30		FEEDRP
C=CCOc1ccc(C[N@H+]2CC[C@H](N3CC[NH+](CC)CC3)C2)cc1OC	ZINC000093133055	542910856	/nfs/dbraw/zinc/91/08/56/542910856.db2.gz	BIONJQAQXLCZPE-IBGZPJMESA-N	2	0	359.514	2.472	20	30		FEEDRP
C#CC[NH+]1CCC(C(=O)Nc2cccc(C[NH+]3CCC(CO)CC3)c2)CC1	ZINC000127057675	543970907	/nfs/dbraw/zinc/97/09/07/543970907.db2.gz	IZIRWGDKVNTOQX-UHFFFAOYSA-N	2	0	369.509	2.175	20	30		FEEDRP
C#CC[NH+]1CCC(C(=O)NC[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)CC1	ZINC000131784919	544206726	/nfs/dbraw/zinc/20/67/26/544206726.db2.gz	PCAVEAPZMFUTDJ-UYAOXDASSA-N	2	0	353.510	2.358	20	30		FEEDRP
C=CC[NH+]1CCC(NC(=O)NC[C@H](C(CC)CC)[NH+]2CCOCC2)CC1	ZINC000171707866	546219603	/nfs/dbraw/zinc/21/96/03/546219603.db2.gz	OXOCVXTWLRFDBS-LJQANCHMSA-N	2	0	366.550	2.073	20	30		FEEDRP
CN1CCN(c2ncc(CN(Cc3ccc(C#N)cc3)C3CC3)cn2)CC1	ZINC000180030063	547040691	/nfs/dbraw/zinc/04/06/91/547040691.db2.gz	DXTDCHKALSMQKZ-UHFFFAOYSA-N	2	0	362.481	2.265	20	30		FEEDRP
C=CCN(CCOC)[C@@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1	ZINC000191129943	548340607	/nfs/dbraw/zinc/34/06/07/548340607.db2.gz	SFVZHVYJKCSWPC-SFHVURJKSA-N	2	0	359.514	2.290	20	30		FEEDRP
N#Cc1ccc(CN2CCCN(C(=O)C3CC[NH+](C4CC4)CC3)CC2)cc1	ZINC000193962062	548414169	/nfs/dbraw/zinc/41/41/69/548414169.db2.gz	DDJNUFONCKAEPL-UHFFFAOYSA-N	2	0	366.509	2.467	20	30		FEEDRP
[NH2+]=C(NCCC[NH+]1CCC(O)CC1)Nc1ccc(OC(F)(F)F)cc1	ZINC000264111788	549980117	/nfs/dbraw/zinc/98/01/17/549980117.db2.gz	RCSVEZHNTDKSND-UHFFFAOYSA-N	2	0	360.380	2.159	20	30		FEEDRP
CC[C@@H](C)NC(=O)c1cccc(CNC(=[NH2+])NC[C@@H]2CCC[N@@H+]2CC)c1	ZINC000264121769	549981406	/nfs/dbraw/zinc/98/14/06/549981406.db2.gz	VGUBMXZQEPVJDZ-QAPCUYQASA-N	2	0	359.518	2.104	20	30		FEEDRP
[NH2+]=C(NCc1cccc(CNC(=[NH2+])NC2CCCC2)c1)NC1CCCC1	ZINC000274245457	550529515	/nfs/dbraw/zinc/52/95/15/550529515.db2.gz	XCSWJENCWIULQL-UHFFFAOYSA-N	2	0	356.518	2.380	20	30		FEEDRP
C[N@@H+]1CCN(CCNC(=[NH2+])NCc2cccc(C(F)(F)F)c2)CC1(C)C	ZINC000281805595	551145081	/nfs/dbraw/zinc/14/50/81/551145081.db2.gz	POJNIMSAYQAHMX-UHFFFAOYSA-N	2	0	371.451	2.136	20	30		FEEDRP
CC[N@@H+]1C[C@H](C)N(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)C[C@H]1C	ZINC000329020549	553865806	/nfs/dbraw/zinc/86/58/06/553865806.db2.gz	HSGSNNPLYUDULY-JFRXWTBNSA-N	2	0	366.550	2.083	20	30		FEEDRP
C[C@@H]1C[N@H+](CCCOc2ccc(C#N)cc2)CC[C@H]1N1CC[NH+](C)CC1	ZINC000362703295	554982162	/nfs/dbraw/zinc/98/21/62/554982162.db2.gz	PYRIJDXNMAHCTJ-WIYYLYMNSA-N	2	0	356.514	2.285	20	30		FEEDRP
COc1ccc(C[NH+]2CCC(C)(C[NH+]3CCN(C)CC3)CC2)cc1C#N	ZINC000375234147	557996122	/nfs/dbraw/zinc/99/61/22/557996122.db2.gz	OYUJLEIZZBJSMB-UHFFFAOYSA-N	2	0	356.514	2.416	20	30		FEEDRP
C[NH+](CC#CC[N@@H+](C)[C@@H]1[C@H]2CCO[C@H]2C1(C)C)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C	ZINC000375472059	558033128	/nfs/dbraw/zinc/03/31/28/558033128.db2.gz	NAJNLXNPHJUIJC-BGSOWLKRSA-N	2	0	360.542	2.480	20	30		FEEDRP
C[C@@H](C(=O)N(C)CCC#N)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1	ZINC000375741879	558075747	/nfs/dbraw/zinc/07/57/47/558075747.db2.gz	FXQRKRBSVKKFSD-GHTZIAJQSA-N	2	0	354.498	2.345	20	30		FEEDRP
C[C@H](C(=O)N(C)CCC#N)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1	ZINC000375741881	558075767	/nfs/dbraw/zinc/07/57/67/558075767.db2.gz	FXQRKRBSVKKFSD-NQIIRXRSSA-N	2	0	354.498	2.345	20	30		FEEDRP
C=CCOc1ccc(C[N@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)cc1Cl	ZINC000469993125	560970964	/nfs/dbraw/zinc/97/09/64/560970964.db2.gz	RVUHJNGPXJDHQZ-OAHLLOKOSA-N	2	0	351.878	2.192	20	30		FEEDRP
C[C@H](CC1(C#N)CCOCC1)[NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1	ZINC000602709274	568018581	/nfs/dbraw/zinc/01/85/81/568018581.db2.gz	JCWHBMPMHQJUNF-YLJYHZDGSA-N	2	0	357.498	2.442	20	30		FEEDRP
N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F	ZINC000591580701	672691840	/nfs/dbraw/zinc/69/18/40/672691840.db2.gz	NKZADKGPCFCTNL-SJORKVTESA-N	2	0	352.404	2.361	20	30		FEEDRP
CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc(OC)c(OC(F)F)c1	ZINC000303888142	673018401	/nfs/dbraw/zinc/01/84/01/673018401.db2.gz	LGCBNIUYGXCRPQ-ZDUSSCGKSA-N	2	0	356.417	2.185	20	30		FEEDRP
C=C(C)C[NH+]1CCC(NC(=O)N2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)CC1	ZINC000626970750	676731527	/nfs/dbraw/zinc/73/15/27/676731527.db2.gz	RSPUZGLUQLJFAR-ZFWWWQNUSA-N	2	0	362.440	2.196	20	30		FEEDRP
CC(C)(C)[NH+]=C(NCc1cccs1)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1	ZINC000912506511	685388416	/nfs/dbraw/zinc/38/84/16/685388416.db2.gz	OBZRIQAEANHVMA-LSDHHAIUSA-N	2	0	350.532	2.445	20	30		FEEDRP
C[NH+](C)C[C@@H]1CN(C(=O)Nc2ccc(C#N)c(Cl)c2)C[C@H]1C[NH+](C)C	ZINC000877981252	686494086	/nfs/dbraw/zinc/49/40/86/686494086.db2.gz	RGRHXBJOOYCOKB-HUUCEWRRSA-N	2	0	363.893	2.415	20	30		FEEDRP
C[NH+](C)C[C@H](NC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N)c1ccc(Cl)cc1	ZINC000884312767	687844864	/nfs/dbraw/zinc/84/48/64/687844864.db2.gz	NJAVZDFTDVPELF-VOLNDZDFSA-N	2	0	360.889	2.198	20	30		FEEDRP
CC[NH+](CC)CCOc1ccc(C(=O)NC2(C#N)CC[NH+](C)CC2)cc1	ZINC000068432602	541591494	/nfs/dbraw/zinc/59/14/94/541591494.db2.gz	ZNAZFBUTKXEVPM-UHFFFAOYSA-N	2	0	358.486	2.125	20	30		FEEDRP
CN(C)CC[NH+]1CCC(C[NH2+]Cc2ccc(N(C)CCC#N)cc2)CC1	ZINC000105451745	543173696	/nfs/dbraw/zinc/17/36/96/543173696.db2.gz	XHQCJMVUKHJQPR-UHFFFAOYSA-N	2	0	357.546	2.400	20	30		FEEDRP
CC(C)[NH+]1CCC(O)(C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)CC1	ZINC000271917249	329737102	/nfs/dbraw/zinc/73/71/02/329737102.db2.gz	ZCAMWXXJTODUNB-UHFFFAOYSA-N	2	0	370.541	2.348	20	30		FEEDRP
C[NH+](C)[C@@H]1CCCN(c2ccc(C#N)c(N3CCC[C@@H]([NH+](C)C)C3)n2)C1	ZINC000276490708	330157429	/nfs/dbraw/zinc/15/74/29/330157429.db2.gz	PSIWVTJROOADCM-QZTJIDSGSA-N	2	0	356.518	2.014	20	30		FEEDRP
C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]CCC(=O)N(C)CCC#N	ZINC000189948293	548313695	/nfs/dbraw/zinc/31/36/95/548313695.db2.gz	NBRNFQIJMFRVKR-QZTJIDSGSA-N	2	0	356.514	2.495	20	30		FEEDRP
C=CCN(CCOC)CC(=O)N1CCC[N@H+](Cc2ccc(C)cc2)CC1	ZINC000191114073	548340166	/nfs/dbraw/zinc/34/01/66/548340166.db2.gz	GIPDFEZGJSTKHS-UHFFFAOYSA-N	2	0	359.514	2.164	20	30		FEEDRP
C[NH+](C)C1(CNC(=[NH2+])Nc2ccc(OC(F)(F)F)cc2)CCOCC1	ZINC000267436211	550031851	/nfs/dbraw/zinc/03/18/51/550031851.db2.gz	NWSPFAHMHCBORW-UHFFFAOYSA-N	2	0	360.380	2.423	20	30		FEEDRP
C[N@@H+]1CCN(CCNC(=[NH2+])Nc2ccc(OC(F)(F)F)cc2)CC1(C)C	ZINC000281854512	551148595	/nfs/dbraw/zinc/14/85/95/551148595.db2.gz	UWGGPRRLKADLSS-UHFFFAOYSA-N	2	0	373.423	2.338	20	30		FEEDRP
C[NH+]1CCC[C@@H](CNc2nc(NC[C@H]3CCC[N@@H+](C)C3)ccc2C#N)C1	ZINC000302892233	553740942	/nfs/dbraw/zinc/74/09/42/553740942.db2.gz	PZJDSSPYWHCBAI-SJORKVTESA-N	2	0	356.518	2.461	20	30		FEEDRP
C[C@@H]1C[C@@H](NC(=O)N2CCCN(Cc3cscn3)CC2)CC[N@@H+]1C	ZINC000329799744	554008197	/nfs/dbraw/zinc/00/81/97/554008197.db2.gz	HSRRNLKMXYGQII-CABCVRRESA-N	2	0	351.520	2.048	20	30		FEEDRP
CCN1CCN(C(=O)N[C@H](C)C[N@@H+]2CCC[C@H](C)C2)C[C@@H]1c1ncc[nH]1	ZINC000329956037	554038542	/nfs/dbraw/zinc/03/85/42/554038542.db2.gz	KZXPLBSAFHJCAR-GVDBMIGSSA-N	2	0	362.522	2.123	20	30		FEEDRP
CC[N@@H+]1CCC[C@@H](NC(=O)N(C)C[C@@H]2CC[NH+](C)[C@H]2c2cccnc2)C1	ZINC000330324181	554105635	/nfs/dbraw/zinc/10/56/35/554105635.db2.gz	IGEYYWCDNQHDNG-OTWHNJEPSA-N	2	0	359.518	2.405	20	30		FEEDRP
C=CCCS(=O)(=O)N(C)CCC1CC[NH+](C2CCN(C)CC2)CC1	ZINC000363824436	555194026	/nfs/dbraw/zinc/19/40/26/555194026.db2.gz	MZROJZWIICKIDA-UHFFFAOYSA-N	2	0	357.564	2.020	20	30		FEEDRP
COc1cc(C#N)ccc1OCC[NH2+][C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@@H]1C	ZINC000368417936	556303082	/nfs/dbraw/zinc/30/30/82/556303082.db2.gz	VFYAHFORLTUCHT-QXAKKESOSA-N	2	0	373.497	2.425	20	30		FEEDRP
C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2CCC(=O)Nc1ccc(C#N)cc1	ZINC000371288874	557133049	/nfs/dbraw/zinc/13/30/49/557133049.db2.gz	GAZCETFJHJGKTE-CEXWTWQISA-N	2	0	356.470	2.070	20	30		FEEDRP
C=CC[NH+](CC=C)[C@H](CNC(=O)[C@]1([NH3+])[C@@H]2CCCO[C@@H]2C1(C)C)C(C)C	ZINC000372567397	557506959	/nfs/dbraw/zinc/50/69/59/557506959.db2.gz	FVMVVSQRDVJCAI-DCXXXQMHSA-N	2	0	363.546	2.334	20	30		FEEDRP
C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCC[C@@H]4O[C@H](CC#N)C[C@H]43)cn2)CC1	ZINC000373223028	557653169	/nfs/dbraw/zinc/65/31/69/557653169.db2.gz	GBQIIJBCNZGLQZ-WCIQWLHISA-N	2	0	369.513	2.163	20	30		FEEDRP
COc1cc(C#N)ccc1OCC[N@@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1	ZINC000375891360	558094559	/nfs/dbraw/zinc/09/45/59/558094559.db2.gz	QMESIMOJQCCGDE-LJQANCHMSA-N	2	0	372.513	2.046	20	30		FEEDRP
N#Cc1ccc(C[N@H+]2CCCN(C(=O)NCC3([NH3+])CCCCC3)CC2)cc1	ZINC000418292988	559396667	/nfs/dbraw/zinc/39/66/67/559396667.db2.gz	DODSHLBGCGSMAS-UHFFFAOYSA-N	2	0	369.513	2.437	20	30		FEEDRP
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NCCC[C@H]1CCC[NH2+]1	ZINC000418743427	559413446	/nfs/dbraw/zinc/41/34/46/559413446.db2.gz	ATBVXVPFEQAAJN-LJQANCHMSA-N	2	0	357.502	2.164	20	30		FEEDRP
C[C@H]([NH2+]C1(CNC(=O)[C@@H]([NH3+])CCCC#N)CCOCC1)c1ccccc1	ZINC000424147218	559656037	/nfs/dbraw/zinc/65/60/37/559656037.db2.gz	QVCQMLILRNMYHG-WMZOPIPTSA-N	2	0	358.486	2.024	20	30		FEEDRP
COc1ccc([C@H](CNC(=O)[C@@H]([NH3+])CCCC#N)[NH+]2CCCCC2)cc1	ZINC000424144374	559656079	/nfs/dbraw/zinc/65/60/79/559656079.db2.gz	XJRKGJSRVGYNOD-OALUTQOASA-N	2	0	358.486	2.360	20	30		FEEDRP
C=CCOc1ccc(C[N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)cc1Cl	ZINC000469993124	560970941	/nfs/dbraw/zinc/97/09/41/560970941.db2.gz	RVUHJNGPXJDHQZ-HNNXBMFYSA-N	2	0	351.878	2.192	20	30		FEEDRP
CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCOc1ncc(Cl)cc1Cl	ZINC000126155471	672020944	/nfs/dbraw/zinc/02/09/44/672020944.db2.gz	JVUYPMGRIXDNEQ-GFCCVEGCSA-N	2	0	360.289	2.156	20	30		FEEDRP
C[NH+]=C(NC[C@@H]1CCCS1)NCC1([NH+]2CCSCC2)CCCC1	ZINC000261933802	672905338	/nfs/dbraw/zinc/90/53/38/672905338.db2.gz	CAJGTLZELRZNSB-HNNXBMFYSA-N	2	0	356.605	2.409	20	30		FEEDRP
CC[C@H]1CN(C(NCC(C)(C)[NH+]2CCC(OC)CC2)=[NH+]C)CCS1	ZINC000262039373	672908497	/nfs/dbraw/zinc/90/84/97/672908497.db2.gz	YDNKYOQSRPZPOP-INIZCTEOSA-N	2	0	356.580	2.279	20	30		FEEDRP
C[NH+]=C(NCc1noc(C)n1)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1	ZINC000262353996	672913789	/nfs/dbraw/zinc/91/37/89/672913789.db2.gz	FQGLGVHUWFGDOU-XJKSGUPXSA-N	2	0	362.503	2.188	20	30		FEEDRP
CC(C)CCC[C@@H](C)NC(=[NH2+])NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C	ZINC000303975524	673019175	/nfs/dbraw/zinc/01/91/75/673019175.db2.gz	JDIZHDBQOONTCR-IAGOWNOFSA-N	2	0	353.555	2.048	20	30		FEEDRP
C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@H](c1cccc(OC)c1)[NH+]1CCCC1	ZINC000876709279	686249709	/nfs/dbraw/zinc/24/97/09/686249709.db2.gz	NYODVIVEZBDYDY-IAGOWNOFSA-N	2	0	351.878	2.418	20	30		FEEDRP
CC[NH+](CC)[C@H](CNC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N)c1ccsc1	ZINC000884188678	687811435	/nfs/dbraw/zinc/81/14/35/687811435.db2.gz	NKGLUTHJPABLFO-DHADLLTHSA-N	2	0	360.527	2.387	20	30		FEEDRP
C#CC[NH+]1CCC(C(=O)N2CC[N@H+](Cc3ccccc3)C(C)(C)C2)CC1	ZINC000104652302	543136357	/nfs/dbraw/zinc/13/63/57/543136357.db2.gz	CYLSLDPPHZXRPO-UHFFFAOYSA-N	2	0	353.510	2.455	20	30		FEEDRP
COc1ccc(C[NH2+][C@@H](C)CN2CC[NH+](C)CC2)cc1OCCCC#N	ZINC000106485689	543231781	/nfs/dbraw/zinc/23/17/81/543231781.db2.gz	WMBGWJGEARHWAY-KRWDZBQOSA-N	2	0	360.502	2.103	20	30		FEEDRP
CC[NH+]=C(NC[C@@H]1CC[N@H+](C)C1)N(C)Cc1cc(Br)cn1C	ZINC000159476365	545957681	/nfs/dbraw/zinc/95/76/81/545957681.db2.gz	PPBCEFMDYBAODF-ZDUSSCGKSA-N	2	0	370.339	2.137	20	30		FEEDRP
C=C(C)C[NH+]1CCC(NC(=O)N2CC[N@H+](CCOC)[C@H](CCC)C2)CC1	ZINC000161762903	546134514	/nfs/dbraw/zinc/13/45/14/546134514.db2.gz	TWRJRKGKRLEQAU-LJQANCHMSA-N	2	0	366.550	2.169	20	30		FEEDRP
C[NH+]1CCN(c2cc(CNC(=[NH2+])Nc3cc(F)ccc3F)ccn2)CC1	ZINC000262250493	549802111	/nfs/dbraw/zinc/80/21/11/549802111.db2.gz	DGAKFKILGVWEQA-UHFFFAOYSA-N	2	0	360.412	2.038	20	30		FEEDRP
CC[NH+]=C(NC[C@H]1CCOc2ccccc21)N1CC[C@H]([NH+]2CC=CC2)C1	ZINC000262773677	549848634	/nfs/dbraw/zinc/84/86/34/549848634.db2.gz	INWGPZAQTZRJMV-MSOLQXFVSA-N	2	0	354.498	2.464	20	30		FEEDRP
COc1ccc(C[NH2+]C[C@H](C)CN2CC[NH+](C)CC2)cc1OCCCC#N	ZINC000264382691	549995456	/nfs/dbraw/zinc/99/54/56/549995456.db2.gz	PMGPMTVPDBTHRF-SFHVURJKSA-N	2	0	374.529	2.351	20	30		FEEDRP
C=CCN1CC[C@H]([NH2+][C@H](C)c2cc(F)ccc2N2CC[NH+](CC)CC2)C1=O	ZINC000499601822	561554419	/nfs/dbraw/zinc/55/44/19/561554419.db2.gz	FSCOHBUYDIVTFH-APWZRJJASA-N	2	0	374.504	2.405	20	30		FEEDRP
CC[NH+](CC)CCCNC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1	ZINC000298685101	553458545	/nfs/dbraw/zinc/45/85/45/553458545.db2.gz	YNQLGPSMSPPLBG-UHFFFAOYSA-N	2	0	359.518	2.363	20	30		FEEDRP
C[NH+]1CCC(CNc2ccc(C#N)c(NCC3CC[NH+](C)CC3)n2)CC1	ZINC000302811334	553734092	/nfs/dbraw/zinc/73/40/92/553734092.db2.gz	HFOQNOBYGAPGFO-UHFFFAOYSA-N	2	0	356.518	2.461	20	30		FEEDRP
CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CCc1ccc(C#N)cc1	ZINC000505755119	561679446	/nfs/dbraw/zinc/67/94/46/561679446.db2.gz	PZXSBUJPYUXHJM-FQEVSTJZSA-N	2	0	356.514	2.365	20	30		FEEDRP
CC[N@@H+]1CCC[C@H](CNC(=O)NC2CCN(c3cc(C)nc(C)n3)CC2)C1	ZINC000328728298	553813050	/nfs/dbraw/zinc/81/30/50/553813050.db2.gz	VNBOTXXGHLXMAQ-QGZVFWFLSA-N	2	0	374.533	2.298	20	30		FEEDRP
C[NH+]1CCN(C[C@@H]2CCC[N@H+](CCCOc3cccc(C#N)c3)C2)CC1	ZINC000371425639	557182942	/nfs/dbraw/zinc/18/29/42/557182942.db2.gz	UFPGKLKGGKPKDY-HXUWFJFHSA-N	2	0	356.514	2.287	20	30		FEEDRP
N#Cc1ccc(C[N@H+]2CCCN(C(=O)N[C@H]3CCCC[C@H]3C[NH3+])CC2)cc1	ZINC000418408335	559400547	/nfs/dbraw/zinc/40/05/47/559400547.db2.gz	GIWPLWQTGKRPNX-PMACEKPBSA-N	2	0	369.513	2.293	20	30		FEEDRP
C[C@H]([NH2+]C1(CNC(=O)[C@H]([NH3+])CCCC#N)CCOCC1)c1ccccc1	ZINC000424147216	559656075	/nfs/dbraw/zinc/65/60/75/559656075.db2.gz	QVCQMLILRNMYHG-FUHWJXTLSA-N	2	0	358.486	2.024	20	30		FEEDRP
Cc1cc(C[NH2+]Cc2cccc(C(=O)NCC[NH+](C)C)c2)ccc1C#N	ZINC000443976917	560098095	/nfs/dbraw/zinc/09/80/95/560098095.db2.gz	BSMXXPSOKABOFW-UHFFFAOYSA-N	2	0	350.466	2.448	20	30		FEEDRP
C[NH+]=C(NCc1ccnn1C)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1	ZINC000262347331	672913870	/nfs/dbraw/zinc/91/38/70/672913870.db2.gz	DMRFEAUOLIFXGN-WMLDXEAASA-N	2	0	360.531	2.230	20	30		FEEDRP
CC[NH+]=C(NC[C@]1(C)CCCC[C@@H]1O)N1CC[C@@H](C[NH+]2CCCC2)C1	ZINC000262752967	672920158	/nfs/dbraw/zinc/92/01/58/672920158.db2.gz	CILOSXAOVISVEO-BJLQDIEVSA-N	2	0	350.551	2.311	20	30		FEEDRP
COc1ccc(CCNC(=[NH2+])NCC[NH+](C(C)C)C(C)C)cc1OC	ZINC000303717500	673017055	/nfs/dbraw/zinc/01/70/55/673017055.db2.gz	UCCASJACDRNWSH-UHFFFAOYSA-N	2	0	350.507	2.269	20	30		FEEDRP
CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc(Br)c(F)c1	ZINC000303898640	673018420	/nfs/dbraw/zinc/01/84/20/673018420.db2.gz	VOBGCXWSAXPIJC-LBPRGKRZSA-N	2	0	357.271	2.477	20	30		FEEDRP
C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)[C@H]([NH3+])CCCCC#N	ZINC000594444316	673072907	/nfs/dbraw/zinc/07/29/07/673072907.db2.gz	OPAALHWZNWKIQS-QGZVFWFLSA-N	2	0	352.429	2.266	20	30		FEEDRP
C=CC[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1	ZINC000661118446	678437118	/nfs/dbraw/zinc/43/71/18/678437118.db2.gz	DVNIZHUBITUDIP-QYZOEREBSA-N	2	0	351.535	2.184	20	30		FEEDRP
CC(C)(C)[NH+]=C(NCCc1cccs1)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1	ZINC000912507651	685388809	/nfs/dbraw/zinc/38/88/09/685388809.db2.gz	YYFMYIAEMAVILZ-HZPDHXFCSA-N	2	0	364.559	2.488	20	30		FEEDRP
CC[NH+]1CCN([C@@H](C)C[NH2+]Cc2cc(C#N)ccc2Br)CC1	ZINC000921529735	683494113	/nfs/dbraw/zinc/49/41/13/683494113.db2.gz	OPMGZFBZXVJLFM-AWEZNQCLSA-N	2	0	365.319	2.436	20	30		FEEDRP
C=C(Cl)C[C@@H]([NH3+])C(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1	ZINC000876765844	686263854	/nfs/dbraw/zinc/26/38/54/686263854.db2.gz	YZBNMHWSRXNYKT-QGZVFWFLSA-N	2	0	351.878	2.247	20	30		FEEDRP
C=C(Cl)C[C@@H]([NH3+])C(=O)NCCC[NH+]1CCN(c2cccc(C)c2)CC1	ZINC000876782807	686268425	/nfs/dbraw/zinc/26/84/25/686268425.db2.gz	VAWSWQPJLVBULX-GOSISDBHSA-N	2	0	364.921	2.093	20	30		FEEDRP
C#CCOc1ccc(C[NH2+]Cc2ccnc(N3CC[NH+](C)CC3)c2)cc1	ZINC000113322917	543484089	/nfs/dbraw/zinc/48/40/89/543484089.db2.gz	CKNTXIPNBCQNFA-UHFFFAOYSA-N	2	0	350.466	2.135	20	30		FEEDRP
CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@@H](C)Oc1ccc(C#N)cc1	ZINC000125553641	543887776	/nfs/dbraw/zinc/88/77/76/543887776.db2.gz	ZIBJKMQRUPCEGL-MJGOQNOKSA-N	2	0	372.513	2.200	20	30		FEEDRP
N#Cc1ccc(CNCc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)o1	ZINC000174371072	327322575	/nfs/dbraw/zinc/32/25/75/327322575.db2.gz	FAWLJBGTXZBBHQ-QGZVFWFLSA-N	2	0	352.438	2.138	20	30		FEEDRP
C=CC[NH+]1CCC(NC(=O)N[C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)CC1	ZINC000172185610	546240063	/nfs/dbraw/zinc/24/00/63/546240063.db2.gz	BQHRZZPTDXAIGO-XLIONFOSSA-N	2	0	371.529	2.242	20	30		FEEDRP
C=C(C)C[NH+]1CCC(NC(=O)NC2CC[NH+](CCOC(C)C)CC2)CC1	ZINC000176336844	546433268	/nfs/dbraw/zinc/43/32/68/546433268.db2.gz	LZNQJUKLUZNMGJ-UHFFFAOYSA-N	2	0	366.550	2.216	20	30		FEEDRP
C[C@H]([NH2+]CCNC(=O)C1N=CC=CC1=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000272562266	550458205	/nfs/dbraw/zinc/45/82/05/550458205.db2.gz	GUMVMTXFDOQYMW-WLOXRLQYSA-N	2	0	368.481	2.013	20	30		FEEDRP
CCO[C@H](CC[NH+](C)C)C[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1	ZINC000278692908	550811935	/nfs/dbraw/zinc/81/19/35/550811935.db2.gz	QEUCHZQQWCNYGM-LJQANCHMSA-N	2	0	370.501	2.305	20	30		FEEDRP
CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1cc(C)c(C#N)cn1	ZINC000603123312	553712760	/nfs/dbraw/zinc/71/27/60/553712760.db2.gz	VHEATYNNCXPMGS-KRWDZBQOSA-N	2	0	358.490	2.142	20	30		FEEDRP
CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H](C)c1nc(-c2ccccc2)no1	ZINC000305631269	553748322	/nfs/dbraw/zinc/74/83/22/553748322.db2.gz	FPTQRJIJZYGLKU-GOEBONIOSA-N	2	0	356.474	2.229	20	30		FEEDRP
C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1	ZINC000371824441	557304421	/nfs/dbraw/zinc/30/44/21/557304421.db2.gz	WJEDBGXNUOSYNY-IBGZPJMESA-N	2	0	364.578	2.149	20	30		FEEDRP
N#Cc1cccc(C[NH2+]CCCC[NH+]2CCN(c3ncccn3)CC2)c1	ZINC000521829113	562184296	/nfs/dbraw/zinc/18/42/96/562184296.db2.gz	NYKQECDPADIFKA-UHFFFAOYSA-N	2	0	350.470	2.040	20	30		FEEDRP
CN(C[C@H]1CCC[N@@H+]1C)c1ccc(C#N)c(N(C)C[C@H]2CCC[NH+]2C)n1	ZINC000420645072	559494964	/nfs/dbraw/zinc/49/49/64/559494964.db2.gz	ZWQMRLBMNLEGMG-QZTJIDSGSA-N	2	0	356.518	2.014	20	30		FEEDRP
COc1cc(C[NH2+]CC2CC[NH+](CC(=O)NC(C)(C)C)CC2)ccc1C#N	ZINC000440612923	560014970	/nfs/dbraw/zinc/01/49/70/560014970.db2.gz	CRAZGPYYZYVHOB-UHFFFAOYSA-N	2	0	372.513	2.283	20	30		FEEDRP
CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCC1CCC(C#N)CC1	ZINC000442732428	560055426	/nfs/dbraw/zinc/05/54/26/560055426.db2.gz	YJPXKBIOQGALJG-ACBHZAAOSA-N	2	0	363.550	2.374	20	30		FEEDRP
C=C[C@@H]1OCCC[C@H]1[NH2+]CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1	ZINC000451673454	560321297	/nfs/dbraw/zinc/32/12/97/560321297.db2.gz	KUARRKUEXSPFGH-RTWAWAEBSA-N	2	0	371.525	2.399	20	30		FEEDRP
CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc(N2CCSCC2)cc1	ZINC000104173916	670790567	/nfs/dbraw/zinc/79/05/67/670790567.db2.gz	HAMRUMDETFXOQQ-SFHVURJKSA-N	2	0	361.559	2.128	20	30		FEEDRP
CC[NH+]=C(NCC1([NH+](C)C)CCOCC1)N1CCS[C@H](C(C)C)C1	ZINC000153773240	672204577	/nfs/dbraw/zinc/20/45/77/672204577.db2.gz	UDLGTWWVVHBACL-INIZCTEOSA-N	2	0	356.580	2.136	20	30		FEEDRP
C[NH+]=C(NCc1cn2cc(Cl)ccc2n1)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C	ZINC000262005146	672907567	/nfs/dbraw/zinc/90/75/67/672907567.db2.gz	VJYZEACOPUVVNT-BLLLJJGKSA-N	2	0	360.893	2.135	20	30		FEEDRP
CC[C@@H]1[C@@H](C(=O)N(C)C2CC([NH2+]Cc3ccc(C#N)s3)C2)CC[N@@H+]1C	ZINC000998794453	680389767	/nfs/dbraw/zinc/38/97/67/680389767.db2.gz	QCSCXVSFEXYNTK-JOCCRWCTSA-N	2	0	360.527	2.429	20	30		FEEDRP
C[NH+](C)C[C@@H]1CN(C(=O)Nc2ccc(C#N)cc2Cl)C[C@H]1C[NH+](C)C	ZINC000878967681	686703241	/nfs/dbraw/zinc/70/32/41/686703241.db2.gz	WCGVQDOKKNQPOD-HUUCEWRRSA-N	2	0	363.893	2.415	20	30		FEEDRP
N#C[C@H]1C[NH2+]CC12CC(C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1)C2	ZINC000884178791	687809022	/nfs/dbraw/zinc/80/90/22/687809022.db2.gz	UYBODCGZRCIXPI-YJTLQXIOSA-N	2	0	358.511	2.141	20	30		FEEDRP
C#CC[NH+]1CCC(C(=O)N(CC[NH+](C)C)Cc2ccc(F)c(F)c2)CC1	ZINC000068312845	541575205	/nfs/dbraw/zinc/57/52/05/541575205.db2.gz	OCVYNIDRXZJJCA-UHFFFAOYSA-N	2	0	363.452	2.200	20	30		FEEDRP
CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H](C)c1nc(-c2ccccc2)no1	ZINC000089595260	542765939	/nfs/dbraw/zinc/76/59/39/542765939.db2.gz	FPTQRJIJZYGLKU-ZBFHGGJFSA-N	2	0	356.474	2.229	20	30		FEEDRP
CCC[N@@H+]1CC[C@H](CNC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)C1	ZINC000097176702	543007155	/nfs/dbraw/zinc/00/71/55/543007155.db2.gz	RQSKPXDTGSZHMG-HXUWFJFHSA-N	2	0	371.529	2.363	20	30		FEEDRP
Cn1cc(C[NH2+]CC2CC[NH+](C[C@@H](O)c3ccccc3)CC2)cc1C#N	ZINC000190973038	328242952	/nfs/dbraw/zinc/24/29/52/328242952.db2.gz	JJVWORLSMNPNSA-OAQYLSRUSA-N	2	0	352.482	2.432	20	30		FEEDRP
CC[NH+]1CCN(c2ccc(CNC(=[NH2+])Nc3ccccn3)cc2F)CC1	ZINC000178570112	546813186	/nfs/dbraw/zinc/81/31/86/546813186.db2.gz	IXXHHZHNWPRSCS-UHFFFAOYSA-N	2	0	356.449	2.289	20	30		FEEDRP
C=CCNC(=O)[C@@H](C)[NH2+][C@@H](C)c1cc(F)ccc1N1CC[NH+](CC)CC1	ZINC000181640580	547351263	/nfs/dbraw/zinc/35/12/63/547351263.db2.gz	BFQRYOQSJYGFEY-JKSUJKDBSA-N	2	0	362.493	2.309	20	30		FEEDRP
CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@H](C)Oc1ccccc1C#N	ZINC000249746451	549623358	/nfs/dbraw/zinc/62/33/58/549623358.db2.gz	NPPCTRIKIZLQTI-HKUYNNGSSA-N	2	0	372.513	2.200	20	30		FEEDRP
C[NH+]=C(NCc1coc(-c2ccccc2)n1)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C	ZINC000262010020	549779819	/nfs/dbraw/zinc/77/98/19/549779819.db2.gz	WJQYZYLBFQEYPU-KBXCAEBGSA-N	2	0	353.470	2.489	20	30		FEEDRP
Cc1cc(C)cc(NC(=[NH2+])NCc2ccnc(N3CC[NH+](C)CC3)c2)c1	ZINC000264056077	549973773	/nfs/dbraw/zinc/97/37/73/549973773.db2.gz	ASGXLYZLRWBWIQ-UHFFFAOYSA-N	2	0	352.486	2.377	20	30		FEEDRP
CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)Nc1cccc(OCC#N)c1	ZINC000266383137	550020050	/nfs/dbraw/zinc/02/00/50/550020050.db2.gz	NCKBKHBHPKXXDY-UHFFFAOYSA-N	2	0	359.474	2.079	20	30		FEEDRP
C=CC[NH+]1CCC(NC(=O)NCC2([NH+](C)C)Cc3ccccc3C2)CC1	ZINC000266444926	550020567	/nfs/dbraw/zinc/02/05/67/550020567.db2.gz	AOSUIWBNWCOZOT-UHFFFAOYSA-N	2	0	356.514	2.035	20	30		FEEDRP
CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Cc1cccc(OCC#N)c1	ZINC000270476677	550276142	/nfs/dbraw/zinc/27/61/42/550276142.db2.gz	IRPAJQBVXZZFOL-LJQANCHMSA-N	2	0	372.513	2.006	20	30		FEEDRP
C[N@@H+]1CC[C@H](CNC(=[NH2+])N2CCOCC2)[C@@H]1c1ccc(Cl)c(F)c1	ZINC000270538547	550281713	/nfs/dbraw/zinc/28/17/13/550281713.db2.gz	BGSBAYVQPSYHGW-CJNGLKHVSA-N	2	0	354.857	2.119	20	30		FEEDRP
COc1cc(C[NH2+]Cc2ccc(C(=O)NCC[NH+](C)C)cc2)ccc1C#N	ZINC000281617222	551120864	/nfs/dbraw/zinc/12/08/64/551120864.db2.gz	HCQSNPIWCPNYRF-UHFFFAOYSA-N	2	0	366.465	2.148	20	30		FEEDRP
CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(OC2CC[NH+](C)CC2)cc1	ZINC000283890868	551444807	/nfs/dbraw/zinc/44/48/07/551444807.db2.gz	HLBXYUSWFHGQGJ-GOSISDBHSA-N	3	0	373.545	2.048	20	30		FEEDRP
COc1ccc(NC(=[NH2+])NC[C@@H]2CCC[N@H+](C)[C@H]2c2ccnn2C)cc1	ZINC000284994836	551685463	/nfs/dbraw/zinc/68/54/63/551685463.db2.gz	HOWDNIYYGNNWCI-KBXCAEBGSA-N	2	0	356.474	2.238	20	30		FEEDRP
N#C[C@]1(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CC12CCCC2	ZINC000294619783	552921126	/nfs/dbraw/zinc/92/11/26/552921126.db2.gz	RMLHYOFWGSNYCP-NRFANRHFSA-N	2	0	367.497	2.184	20	30		FEEDRP
C[NH+]1CCC(n2ccc(NC(=O)NCC(C)(C)C[NH+]3CCCC3)n2)CC1	ZINC000330206078	554084829	/nfs/dbraw/zinc/08/48/29/554084829.db2.gz	DXCUVQJVFRYZPD-UHFFFAOYSA-N	2	0	362.522	2.598	20	30		FEEDRP
Cc1c(C#N)cccc1C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1	ZINC000512664649	561911718	/nfs/dbraw/zinc/91/17/18/561911718.db2.gz	FMOCMFDQJVOVTP-UHFFFAOYSA-N	2	0	363.465	2.204	20	30		FEEDRP
CN(CC#CCN(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C)C1C[C@H]2CC[C@@H](C1)[NH+]2C	ZINC000367218668	556003429	/nfs/dbraw/zinc/00/34/29/556003429.db2.gz	SSMYRTYKHXJKCL-JEYFUZRVSA-N	2	0	358.574	2.104	20	30		FEEDRP
C[C@H]1C[N@H+](Cc2ccc(N(C)CCC#N)cc2)CC[C@H]1N1CC[NH+](C)CC1	ZINC000370695705	556942709	/nfs/dbraw/zinc/94/27/09/556942709.db2.gz	CKRJLLVLAFXEOZ-SIKLNZKXSA-N	2	0	369.557	2.494	20	30		FEEDRP
C[C@H](C(=O)NC1(C#N)CCC1)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1	ZINC000519235131	562127846	/nfs/dbraw/zinc/12/78/46/562127846.db2.gz	YLIQVPNHVPVVII-RLLQIKCJSA-N	2	0	366.509	2.391	20	30		FEEDRP
C=C(C)C[NH+]1CCC(NC(=O)NCC[N@@H+]2CCc3ccccc3C2)CC1	ZINC000519286620	562128645	/nfs/dbraw/zinc/12/86/45/562128645.db2.gz	FWNXDZIOTAFAIM-UHFFFAOYSA-N	2	0	356.514	2.384	20	30		FEEDRP
C[N@H+](C[C@H]1CC12CC[NH+](CC(=O)NCc1cccc(C#N)c1)CC2)C1CC1	ZINC000374284495	557858066	/nfs/dbraw/zinc/85/80/66/557858066.db2.gz	AAZMRCIFUQLBLB-LJQANCHMSA-N	2	0	366.509	2.371	20	30		FEEDRP
C=CCOc1ccc(C[NH2+]C[C@@H](N2CC[NH2+]CC2)C(F)(F)F)cc1OC	ZINC000414988742	559199049	/nfs/dbraw/zinc/19/90/49/559199049.db2.gz	PXWVQYYGBHMAOI-QGZVFWFLSA-N	2	0	373.419	2.186	20	30		FEEDRP
C=CC[NH+](CC=C)[C@@H](CNC(=O)c1cnn([C@H]2CCC[NH2+]C2)c1)C(C)C	ZINC000423351373	559626340	/nfs/dbraw/zinc/62/63/40/559626340.db2.gz	YZHZHVHKBNQOKK-OALUTQOASA-N	2	0	359.518	2.236	20	30		FEEDRP
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)CCC[NH+]1CCC([NH3+])CC1	ZINC000433122254	559872315	/nfs/dbraw/zinc/87/23/15/559872315.db2.gz	VHRPCCJFSIXROP-UHFFFAOYSA-N	2	0	360.458	2.313	20	30		FEEDRP
CC[NH+](CC)CCO[C@@H]1CCN([C@H](C(=O)OC)c2cccc(C#N)c2)C1	ZINC000435023545	559914628	/nfs/dbraw/zinc/91/46/28/559914628.db2.gz	LLOVSJWQEWDEPC-MOPGFXCFSA-N	2	0	359.470	2.205	20	30		FEEDRP
C=CCOc1cccc(C[N@@H+]2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)c1	ZINC000469850055	560966726	/nfs/dbraw/zinc/96/67/26/560966726.db2.gz	GMQNBVVQIODGPG-QUCCMNQESA-N	2	0	357.498	2.332	20	30		FEEDRP
C[C@H](CC1(C#N)CCOCC1)[NH2+]Cc1cccnc1N1CC[NH+](C)CC1	ZINC000602535067	567992168	/nfs/dbraw/zinc/99/21/68/567992168.db2.gz	XIJPNINHWCAGSL-QGZVFWFLSA-N	2	0	357.502	2.022	20	30		FEEDRP
CC[NH+]=C(NCC1([NH+]2CCCC2)CCOCC1)N1CCS[C@H](CC)C1	ZINC000261762666	672902720	/nfs/dbraw/zinc/90/27/20/672902720.db2.gz	DBUDWFBIQMNZGU-QGZVFWFLSA-N	2	0	368.591	2.424	20	30		FEEDRP
C[NH+]=C(NCc1nc(C)no1)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1	ZINC000262355284	672913844	/nfs/dbraw/zinc/91/38/44/672913844.db2.gz	HXTZPHMHYVRHDF-BBRMVZONSA-N	2	0	362.503	2.188	20	30		FEEDRP
C[NH+]=C(NC[C@@H]1CC[N@H+](C)C1)NC[C@@H]1CCC[NH+](C)[C@H]1c1cccs1	ZINC000262448912	672915932	/nfs/dbraw/zinc/91/59/32/672915932.db2.gz	ULJBVTCGDYEIFC-XYJFISCASA-N	3	0	363.575	2.248	20	30		FEEDRP
C[NH+]=C(NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1)NCC1(O)CCC1	ZINC000262816392	672921165	/nfs/dbraw/zinc/92/11/65/672921165.db2.gz	WUJRBDJXUVUCOR-GOEBONIOSA-N	2	0	350.532	2.211	20	30		FEEDRP
CCN1CC[NH+](CCCCNC(=[NH2+])Nc2ccc(OC)c(Cl)c2)CC1	ZINC000303892061	673018526	/nfs/dbraw/zinc/01/85/26/673018526.db2.gz	NJQXMVHIBNWWTM-UHFFFAOYSA-N	2	0	367.925	2.493	20	30		FEEDRP
C[NH+](C)[C@@H](CNC(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21)c1cccs1	ZINC000876710155	686249745	/nfs/dbraw/zinc/24/97/45/686249745.db2.gz	FLAHNLONRGIJOU-WMZOPIPTSA-N	2	0	354.479	2.226	20	30		FEEDRP
C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H]1C[NH2+]CC[C@H]1c1ccc(OCC)cc1	ZINC000876964901	686301996	/nfs/dbraw/zinc/30/19/96/686301996.db2.gz	VBZSFZWWXSFKBO-ULQDDVLXSA-N	2	0	351.878	2.117	20	30		FEEDRP
C=CC[NH+]1CCC(NC(=O)N(CC[NH3+])Cc2cccc(Cl)c2)CC1	ZINC000891520948	689072849	/nfs/dbraw/zinc/07/28/49/689072849.db2.gz	CGPBSMDDUALRSA-UHFFFAOYSA-N	2	0	350.894	2.461	20	30		FEEDRP
N#CCc1ccc(OC[C@@H](O)C[NH+]2CCC(C[NH+]3CCCC3)CC2)cc1	ZINC000047971942	540337390	/nfs/dbraw/zinc/33/73/90/540337390.db2.gz	ILYXXFIUDOQDBA-FQEVSTJZSA-N	2	0	357.498	2.300	20	30		FEEDRP
C=CC[NH+]1CCC(NC(=O)CC[NH+]2CCN(c3cccc(C)c3)CC2)CC1	ZINC000073436508	541954128	/nfs/dbraw/zinc/95/41/28/541954128.db2.gz	MDBVCUZLHXERJA-UHFFFAOYSA-N	2	0	370.541	2.274	20	30		FEEDRP
C#CC[NH+]1CCC(C(=O)N(C)[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1	ZINC000074448028	542085463	/nfs/dbraw/zinc/08/54/63/542085463.db2.gz	IHAPKZUWNCYXKC-NRFANRHFSA-N	2	0	353.510	2.455	20	30		FEEDRP
C#CC[NH+]1CCC(C(=O)N(C)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1	ZINC000074448024	542085706	/nfs/dbraw/zinc/08/57/06/542085706.db2.gz	IHAPKZUWNCYXKC-OAQYLSRUSA-N	2	0	353.510	2.455	20	30		FEEDRP
C[NH+](CCNc1cc(NCC[N@@H+](C)C2CC2)cc(C#N)c1[N+](=O)[O-])C1CC1	ZINC000091459845	542808544	/nfs/dbraw/zinc/80/85/44/542808544.db2.gz	ZZTGVCONYZTGLM-UHFFFAOYSA-N	2	0	372.473	2.479	20	30		FEEDRP
C=C(C)CN(CC)C(=O)[C@H](C)N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1	ZINC000153941502	544843215	/nfs/dbraw/zinc/84/32/15/544843215.db2.gz	UFNSOOSUZJGPDT-ZCNNSNEGSA-N	2	0	364.578	2.290	20	30		FEEDRP
C[C@H]1CCC[N@H+](CCNC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)C1	ZINC000079269596	325084246	/nfs/dbraw/zinc/08/42/46/325084246.db2.gz	WOGLDLOMKIENKU-SFHVURJKSA-N	2	0	371.529	2.363	20	30		FEEDRP
CC(C)(CCC#N)CNC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1	ZINC000489141096	561404266	/nfs/dbraw/zinc/40/42/66/561404266.db2.gz	RYGPMGTZAJCHSR-UHFFFAOYSA-N	2	0	372.517	2.223	20	30		FEEDRP
C[NH+]=C(NC[C@H](O)c1cc(Cl)cc(Cl)c1)NC[C@H]1CC[N@H+](C)C1	ZINC000261950786	549773449	/nfs/dbraw/zinc/77/34/49/549773449.db2.gz	NYNCDFHPBUXHTD-ABAIWWIYSA-N	2	0	359.301	2.144	20	30		FEEDRP
C=CC[NH+](CC=C)[C@@H](CNC(=O)c1ccn([C@@H]2CCC[NH2+]C2)n1)C(C)C	ZINC000262822344	549853465	/nfs/dbraw/zinc/85/34/65/549853465.db2.gz	RIAHAAOKGLEPFI-MJGOQNOKSA-N	2	0	359.518	2.236	20	30		FEEDRP
C[NH+]=C(NCC1([NH+]2CCCC2)CCOCC1)N[C@@H]1CCOc2ccccc21	ZINC000262826283	549853510	/nfs/dbraw/zinc/85/35/10/549853510.db2.gz	ZSOIDDIASRAIGZ-GOSISDBHSA-N	2	0	372.513	2.320	20	30		FEEDRP
C[NH+](C)CCOc1ccccc1N1CC[NH+](CCCSCC#N)CC1	ZINC000267382988	550030579	/nfs/dbraw/zinc/03/05/79/550030579.db2.gz	MXEQFUVERJYBGU-UHFFFAOYSA-N	2	0	362.543	2.396	20	30		FEEDRP
C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]C1CCN(c2ccc(C#N)cc2)CC1	ZINC000286026286	551840068	/nfs/dbraw/zinc/84/00/68/551840068.db2.gz	IXWVUFBPWKHTNR-SFHVURJKSA-N	2	0	355.530	2.143	20	30		FEEDRP
CCn1ccnc1CNC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1	ZINC000297989557	553367553	/nfs/dbraw/zinc/36/75/53/553367553.db2.gz	CHZOXUSEGDQWJL-UHFFFAOYSA-N	2	0	354.458	2.048	20	30		FEEDRP
C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCC(CC[NH+]2CCOCC2)CC1	ZINC000513819222	561951115	/nfs/dbraw/zinc/95/11/15/561951115.db2.gz	RYCFLUIINQYBAR-SFHVURJKSA-N	2	0	351.535	2.234	20	30		FEEDRP
C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCC(N2CC[NH+](C(C)C)CC2)CC1	ZINC000371344612	557154342	/nfs/dbraw/zinc/15/43/42/557154342.db2.gz	MFOBTKSNFMQBFT-IBGZPJMESA-N	2	0	362.562	2.066	20	30		FEEDRP
C#CC[NH+]1CCC(C(=O)N2CCC[N@@H+](Cc3ccccc3C)CC2)CC1	ZINC000371455099	557190116	/nfs/dbraw/zinc/19/01/16/557190116.db2.gz	BGZQCNYWKQBGGL-UHFFFAOYSA-N	2	0	353.510	2.375	20	30		FEEDRP
C=C(C)C[NH+]1CCC(NC(=O)[C@H]2CCC[N@H+](Cc3cccnc3)C2)CC1	ZINC000518496329	562112848	/nfs/dbraw/zinc/11/28/48/562112848.db2.gz	VGYMGUUADKXJSX-IBGZPJMESA-N	2	0	356.514	2.450	20	30		FEEDRP
C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)Nc1ccc2c(c1)C[NH2+]C2)C(C)C	ZINC000414694488	559180338	/nfs/dbraw/zinc/18/03/38/559180338.db2.gz	NXMYFTTVCMAMKN-LJQANCHMSA-N	2	0	370.497	2.043	20	30		FEEDRP
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+]	ZINC000418436141	559401559	/nfs/dbraw/zinc/40/15/59/559401559.db2.gz	WTFZBQKYJDKNPU-RTBURBONSA-N	2	0	357.502	2.149	20	30		FEEDRP
N#Cc1ccc(C[N@H+]2CCCN(C(=O)NCCC[C@@H]3CCC[NH2+]3)CC2)cc1	ZINC000418776585	559415442	/nfs/dbraw/zinc/41/54/42/559415442.db2.gz	UFOLQLGFQZCMSV-FQEVSTJZSA-N	2	0	369.513	2.308	20	30		FEEDRP
CC(C)(C)NC(=O)C[NH+]1CCC(C[NH2+]Cc2ccc(C#N)c(F)c2)CC1	ZINC000421337990	559539569	/nfs/dbraw/zinc/53/95/69/559539569.db2.gz	BNWAWJWDRWVFKB-UHFFFAOYSA-N	2	0	360.477	2.414	20	30		FEEDRP
C[C@@H]([NH2+]C1(CNC(=O)[C@@H]([NH3+])CCCC#N)CCOCC1)c1ccccc1	ZINC000424147215	559656054	/nfs/dbraw/zinc/65/60/54/559656054.db2.gz	QVCQMLILRNMYHG-AEFFLSMTSA-N	2	0	358.486	2.024	20	30		FEEDRP
C(#CC[N@@H+]1CCOC[C@@H](C2CCC2)C1)C[NH+]1CCOC[C@H](C2CCC2)C1	ZINC000429028238	559789293	/nfs/dbraw/zinc/78/92/93/559789293.db2.gz	MAUFHYXMWGEYMN-SZPZYZBQSA-N	2	0	360.542	2.487	20	30		FEEDRP
O[C@@H]1CCC[C@@H]1[C@H]1CCC[NH+]1CC#CC[N@H+]1CCC[C@H]1[C@H]1CCC[C@H]1O	ZINC000451414497	560305498	/nfs/dbraw/zinc/30/54/98/560305498.db2.gz	DDBXFMYWJUSBKQ-WHVWYTALSA-N	2	0	360.542	2.241	20	30		FEEDRP
N#Cc1ccccc1OC[C@H](O)C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1	ZINC000528424277	562328608	/nfs/dbraw/zinc/32/86/08/562328608.db2.gz	LMOZKXPQZOUHCH-SXLOBPIMSA-N	2	0	355.482	2.247	20	30		FEEDRP
C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]C2CCN(CC#N)CC2)CC1	ZINC000611292728	676030480	/nfs/dbraw/zinc/03/04/80/676030480.db2.gz	NLNLMPIFSIXVLP-UHFFFAOYSA-N	2	0	361.921	2.169	20	30		FEEDRP
CC[NH+]=C(NCC1(SC)CCOCC1)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C	ZINC000262780005	672921006	/nfs/dbraw/zinc/92/10/06/672921006.db2.gz	KVGJMHYKKAUZSE-ALOPSCKCSA-N	2	0	368.591	2.469	20	30		FEEDRP
C[C@@H]1C[C@@H](C)C[NH+](CCCC[NH2+]C[C@H](O)CC2(C#N)CCOCC2)C1	ZINC000600717693	673793832	/nfs/dbraw/zinc/79/38/32/673793832.db2.gz	SMHANNYNEWBPLB-GUDVDZBRSA-N	2	0	351.535	2.405	20	30		FEEDRP
C#CC[N@@H+](C)CCCNC(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)cc1	ZINC000838622638	680706517	/nfs/dbraw/zinc/70/65/17/680706517.db2.gz	WWSMHRZLIWKDEU-QGZVFWFLSA-N	2	0	350.894	2.197	20	30		FEEDRP
CC[NH+]1CCN([C@H](C)CNC(NC(C)(C)C)=[NH+]CCCSC)CC1	ZINC000912506782	685388624	/nfs/dbraw/zinc/38/86/24/685388624.db2.gz	BWBWJFZMINPRMP-MRXNPFEDSA-N	2	0	357.612	2.099	20	30		FEEDRP
C#CC[NH+]1CCC(NC(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)CC1	ZINC000913891050	685487856	/nfs/dbraw/zinc/48/78/56/685487856.db2.gz	ICECBSYILGRDDT-KRWDZBQOSA-N	2	0	360.527	2.282	20	30		FEEDRP
C[NH+](C)C[C@@H]1CN(c2nc(C(F)(F)F)ccc2C#N)C[C@H]1C[NH+](C)C	ZINC000866012966	684060467	/nfs/dbraw/zinc/06/04/67/684060467.db2.gz	YAIFUQLFNANDIX-ZIAGYGMSSA-N	2	0	355.408	2.148	20	30		FEEDRP
C=C(Cl)C[C@H]([NH3+])C(=O)NCCC[NH+]1CCN(c2cccc(C)c2)CC1	ZINC000876782809	686268456	/nfs/dbraw/zinc/26/84/56/686268456.db2.gz	VAWSWQPJLVBULX-SFHVURJKSA-N	2	0	364.921	2.093	20	30		FEEDRP
C=CCC[C@H]([NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1)[C@]1(C)CCCCO1	ZINC000902792790	690807768	/nfs/dbraw/zinc/80/77/68/690807768.db2.gz	DIWCARWLFJGNGB-BJLQDIEVSA-N	2	0	351.535	2.457	20	30		FEEDRP
C#CC[NH+]1CCC(C(=O)N2CCC[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1	ZINC000076389802	542272163	/nfs/dbraw/zinc/27/21/63/542272163.db2.gz	JEKFFQYYXLCNQA-IBGZPJMESA-N	2	0	353.510	2.455	20	30		FEEDRP
N#Cc1ccc(CON=C(N)c2ccccc2C[NH+]2CCC(O)CC2)cc1	ZINC000104054413	543121404	/nfs/dbraw/zinc/12/14/04/543121404.db2.gz	MRDXOHGJRFGUOS-UHFFFAOYSA-N	2	0	364.449	2.352	20	30		FEEDRP
CCN1CCN(C(=O)CC2CCN(Cc3cc(C#N)ccc3F)CC2)CC1	ZINC000108873103	543306728	/nfs/dbraw/zinc/30/67/28/543306728.db2.gz	MYOHKYBEDYUMCO-UHFFFAOYSA-N	2	0	372.488	2.464	20	30		FEEDRP
N#Cc1ccc2ncc(C[NH2+]CCN3CC[NH+](Cc4ccccc4)CC3)n2c1	ZINC000123178764	543746513	/nfs/dbraw/zinc/74/65/13/543746513.db2.gz	DQAQMYMQVDBPNP-UHFFFAOYSA-N	2	0	374.492	2.113	20	30		FEEDRP
C[C@H]1C[C@H](NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)C[N@@H+]1C1CC1	ZINC000129864451	544129892	/nfs/dbraw/zinc/12/98/92/544129892.db2.gz	UIDFPNKIGVIRDB-LPHOPBHVSA-N	2	0	369.513	2.257	20	30		FEEDRP
CC(C)[NH+]1CCN(c2ccc(C#N)c(N3CC[NH+](C(C)C)CC3)n2)CC1	ZINC000276459474	330154125	/nfs/dbraw/zinc/15/41/25/330154125.db2.gz	MSXRKQYEHOLETA-UHFFFAOYSA-N	2	0	356.518	2.014	20	30		FEEDRP
COc1ccccc1CNC(=[NH2+])NCc1cccc(OCC[NH+](C)C)c1	ZINC000170911400	546181569	/nfs/dbraw/zinc/18/15/69/546181569.db2.gz	CERLSCLTNIPPRJ-UHFFFAOYSA-N	2	0	356.470	2.240	20	30		FEEDRP
C=C(C)CS(=O)(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1	ZINC000189768277	548311667	/nfs/dbraw/zinc/31/16/67/548311667.db2.gz	FXYSBLFRXXLCOB-ZWKOTPCHSA-N	2	0	357.564	2.161	20	30		FEEDRP
CC[NH+]=C(NC[C@H]1CC[N@@H+](C2CC2)C1)N1CCN(c2cccs2)CC1	ZINC000262003439	549778818	/nfs/dbraw/zinc/77/88/18/549778818.db2.gz	UYIFXZIASCKPQC-MRXNPFEDSA-N	2	0	361.559	2.320	20	30		FEEDRP
CNC(=[NH2+])NCCCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1	ZINC000264087964	549977949	/nfs/dbraw/zinc/97/79/49/549977949.db2.gz	KBEGHGBSCNKXHF-UHFFFAOYSA-N	2	0	357.424	2.142	20	30		FEEDRP
[NH2+]=C(NCCCC[NH+]1CCOCC1)NCc1cccc(C(F)(F)F)c1	ZINC000266974178	550025939	/nfs/dbraw/zinc/02/59/39/550025939.db2.gz	HTQQNECSGJJFPC-UHFFFAOYSA-N	2	0	358.408	2.222	20	30		FEEDRP
C[NH+](C)CCNC(=O)c1ccc(C[NH2+]Cc2ccc(C#N)cc2F)cc1	ZINC000269470555	550199562	/nfs/dbraw/zinc/19/95/62/550199562.db2.gz	ZXQDBLQWAVBBIO-UHFFFAOYSA-N	2	0	354.429	2.279	20	30		FEEDRP
COC[C@H](C)NC(=[NH2+])NC[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1	ZINC000270535837	550281380	/nfs/dbraw/zinc/28/13/80/550281380.db2.gz	AIZXXADZBLAEEY-RBOXIYTFSA-N	2	0	356.873	2.411	20	30		FEEDRP
CCO[C@@H](CC[NH+](C)C)C[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1	ZINC000278692904	550811798	/nfs/dbraw/zinc/81/17/98/550811798.db2.gz	QEUCHZQQWCNYGM-IBGZPJMESA-N	2	0	370.501	2.305	20	30		FEEDRP
CC(C)[C@](C)(C#N)NC(=O)CN1CCC[C@H](c2ncc3n2CCCC3)C1	ZINC000282048483	551173603	/nfs/dbraw/zinc/17/36/03/551173603.db2.gz	LWOKYWQXINSTFN-JXFKEZNVSA-N	2	0	357.502	2.453	20	30		FEEDRP
CC[N@@H+]1C[C@H](C)N(C(=O)NC2CC[NH+](Cc3ccncc3)CC2)C[C@@H]1C	ZINC000328936591	553848372	/nfs/dbraw/zinc/84/83/72/553848372.db2.gz	CQRSBSJTRSPHKR-IRXDYDNUSA-N	2	0	359.518	2.375	20	30		FEEDRP
C[N@@H+]1CC[C@@H]2CCN(C(=O)NCc3cccc(Cn4ccnc4)c3)[C@H]2C1	ZINC000329303442	553921251	/nfs/dbraw/zinc/92/12/51/553921251.db2.gz	XHLYROKZVJXDGM-MOPGFXCFSA-N	2	0	353.470	2.371	20	30		FEEDRP
C[NH+](C)C1(CNC(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)CCCCC1	ZINC000330176076	554078997	/nfs/dbraw/zinc/07/89/97/554078997.db2.gz	JRJPXSOZXZRDAG-QZTJIDSGSA-N	2	0	366.550	2.132	20	30		FEEDRP
C[C@@H]1C[C@H](Nc2ccc(C#N)c(N[C@@H]3CC[NH+](C)[C@@H](C)C3)n2)CC[N@@H+]1C	ZINC000333047621	554564356	/nfs/dbraw/zinc/56/43/56/554564356.db2.gz	KSALMUADTRWUDU-CYGHRXIMSA-N	2	0	356.518	2.742	20	30		FEEDRP
C[C@H]([NH2+]CCCN1CCN(c2ncccn2)CC1)c1ccc(C#N)cc1F	ZINC000512625503	561910522	/nfs/dbraw/zinc/91/05/22/561910522.db2.gz	OLDPRMMNTXVGAY-INIZCTEOSA-N	2	0	368.460	2.350	20	30		FEEDRP
CC(C)[C@](C)(C#N)NC(=O)CN1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1	ZINC000368243853	556257470	/nfs/dbraw/zinc/25/74/70/556257470.db2.gz	QTLXUAXIPXZROV-VWPQPMDRSA-N	2	0	368.525	2.495	20	30		FEEDRP
C=CC[NH+]1CCC(NC(=O)NC2CC[NH+](CCc3ccncc3)CC2)CC1	ZINC000369073318	556497679	/nfs/dbraw/zinc/49/76/79/556497679.db2.gz	HPXAVTUVOKKOQO-UHFFFAOYSA-N	2	0	371.529	2.038	20	30		FEEDRP
C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCC(N2CC[NH+](CCC)CC2)CC1	ZINC000369154344	556518701	/nfs/dbraw/zinc/51/87/01/556518701.db2.gz	HQSYTAQKNZHLPQ-LJQANCHMSA-N	2	0	362.562	2.068	20	30		FEEDRP
C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2CCC(=O)Nc1ccc(C#N)cc1	ZINC000371288877	557132900	/nfs/dbraw/zinc/13/29/00/557132900.db2.gz	GAZCETFJHJGKTE-QYZOEREBSA-N	2	0	356.470	2.070	20	30		FEEDRP
CN1c2ccccc2N(C)C1=C1C(=N)N([C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1=O	ZINC000371439152	557187480	/nfs/dbraw/zinc/18/74/80/557187480.db2.gz	SJBMKFACVKIOPE-CABCVRRESA-N	2	0	365.481	2.273	20	30		FEEDRP
C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2CCC(=O)Nc1ccccc1C#N	ZINC000374431859	557883352	/nfs/dbraw/zinc/88/33/52/557883352.db2.gz	ZASBXFDSJYZPDE-QRQLOZEOSA-N	2	0	356.470	2.070	20	30		FEEDRP
COc1cccc([C@@H]2[C@H](NC(=O)[C@H]([NH3+])CCCC#N)CC[N@@H+]2C2CC2)c1	ZINC000424177941	559656823	/nfs/dbraw/zinc/65/68/23/559656823.db2.gz	VNHYXVXBFZTGNS-GUDVDZBRSA-N	2	0	356.470	2.110	20	30		FEEDRP
CC(=O)N1CCC[N@H+](C[C@@H]2CCCN(Cc3ccc(C#N)cc3F)C2)CC1	ZINC000449497085	560232013	/nfs/dbraw/zinc/23/20/13/560232013.db2.gz	KDMUZBQZBLIHBY-IBGZPJMESA-N	2	0	372.488	2.464	20	30		FEEDRP
N#Cc1ccccc1OC[C@H](O)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1	ZINC000528424268	562328490	/nfs/dbraw/zinc/32/84/90/562328490.db2.gz	LMOZKXPQZOUHCH-DFQSSKMNSA-N	2	0	355.482	2.247	20	30		FEEDRP
C[NH+]=C(NC[C@@H]1CC[N@H+](C)C1)N(C)Cc1ccccc1Br	ZINC000073742396	670506483	/nfs/dbraw/zinc/50/64/83/670506483.db2.gz	VHYPJZYYEVKQNV-ZDUSSCGKSA-N	2	0	353.308	2.408	20	30		FEEDRP
CC[NH+]=C(NCC1([NH+](C)C)CCOCC1)N1CCS[C@@H](C(C)C)C1	ZINC000153773346	672204596	/nfs/dbraw/zinc/20/45/96/672204596.db2.gz	UDLGTWWVVHBACL-MRXNPFEDSA-N	2	0	356.580	2.136	20	30		FEEDRP
CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1cc(F)ccc1Br	ZINC000262002066	672907527	/nfs/dbraw/zinc/90/75/27/672907527.db2.gz	QAUZZRYTEPNASY-ZDUSSCGKSA-N	2	0	357.271	2.477	20	30		FEEDRP
C[NH+]=C(NC[C@]1(O)CCSC1)NCC1([NH+]2CCCCC2)CCCCC1	ZINC000262836304	672921624	/nfs/dbraw/zinc/92/16/24/672921624.db2.gz	QUWOZQCSDAWELQ-LJQANCHMSA-N	2	0	368.591	2.208	20	30		FEEDRP
CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCC(=O)Nc1cccc(Cl)c1C	ZINC000303987296	673019834	/nfs/dbraw/zinc/01/98/34/673019834.db2.gz	VHFSLPOJCZKBNM-CQSZACIVSA-N	2	0	365.909	2.366	20	30		FEEDRP
N#Cc1ccc(C[NH2+]CCCC[NH+]2CCN(c3ncccn3)CC2)s1	ZINC000540602696	673549079	/nfs/dbraw/zinc/54/90/79/673549079.db2.gz	ORTVMPMUFSVXGD-UHFFFAOYSA-N	2	0	356.499	2.102	20	30		FEEDRP
C=C(Br)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1(C)C	ZINC000995828431	680305335	/nfs/dbraw/zinc/30/53/35/680305335.db2.gz	XZCGOLRXEJSXJP-MGPQQGTHSA-N	2	0	358.324	2.062	20	30		FEEDRP
C[C@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1cc(C#N)ccc1Br	ZINC000922011548	683636543	/nfs/dbraw/zinc/63/65/43/683636543.db2.gz	KAGDWVZCNGMDPE-CQSZACIVSA-N	2	0	365.319	2.436	20	30		FEEDRP
C[NH+](C)C[C@@H]1CN(c2ccc(C#N)cc2Br)C[C@H]1C[NH+](C)C	ZINC000866011254	684060184	/nfs/dbraw/zinc/06/01/84/684060184.db2.gz	BIFYCBQZCMRIMF-HUUCEWRRSA-N	2	0	365.319	2.496	20	30		FEEDRP
C[C@@H](C[NH2+]Cc1cn(CCC#N)nc1-c1ccccc1)N1CC[NH+](C)CC1	ZINC000113336598	543484577	/nfs/dbraw/zinc/48/45/77/543484577.db2.gz	UCMXLFTZRNLHOI-SFHVURJKSA-N	2	0	366.513	2.189	20	30		FEEDRP
CC(C)[C@@](C)(C#N)NC(=O)CN(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000247494696	549344212	/nfs/dbraw/zinc/34/42/12/549344212.db2.gz	LFDHVNZCPWZYJG-TZIWHRDSSA-N	2	0	356.514	2.495	20	30		FEEDRP
C=CC[NH+]1CCC(NC(=O)NCC2([NH+]3CCSCC3)CCCC2)CC1	ZINC000171715813	546220892	/nfs/dbraw/zinc/22/08/92/546220892.db2.gz	OQXYVZUHVQJNBE-UHFFFAOYSA-N	2	0	366.575	2.298	20	30		FEEDRP
C[NH+]=C(NCc1nc(-c2ccccc2)c[nH]1)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C	ZINC000261937879	549771824	/nfs/dbraw/zinc/77/18/24/549771824.db2.gz	CXTMPBOQQRLEOP-KBXCAEBGSA-N	2	0	352.486	2.224	20	30		FEEDRP
C[NH+]=C(NCc1c(C)noc1C)NCc1cccnc1-n1ccnc1C	ZINC000261988614	549777293	/nfs/dbraw/zinc/77/72/93/549777293.db2.gz	SCEHFTHAVNYBTQ-UHFFFAOYSA-N	2	0	353.430	2.046	20	30		FEEDRP
CC[NH+]=C(NC[C@@H]1CCOc2ccccc21)N1CC[C@H]([NH+]2CC=CC2)C1	ZINC000262773682	549848517	/nfs/dbraw/zinc/84/85/17/549848517.db2.gz	INWGPZAQTZRJMV-ROUUACIJSA-N	2	0	354.498	2.464	20	30		FEEDRP
C[NH+]=C(NC[C@H](O)c1ccc(Cl)cc1)N1CC[C@H](C[NH+]2CCCC2)C1	ZINC000262821681	549853468	/nfs/dbraw/zinc/85/34/68/549853468.db2.gz	YJUGTLRPZDOAOZ-QAPCUYQASA-N	2	0	364.921	2.367	20	30		FEEDRP
C#CC[NH+]1CCC(C(=O)N2CCC[N@H+](CCCc3ccccc3)CC2)CC1	ZINC000263830771	549942764	/nfs/dbraw/zinc/94/27/64/549942764.db2.gz	UHXFNSVZMDEHBQ-UHFFFAOYSA-N	2	0	367.537	2.499	20	30		FEEDRP
C[C@H](C[NH2+]C1CCN(c2ccc(C#N)cc2)CC1)CN1CC[NH+](C)CC1	ZINC000286007908	551837602	/nfs/dbraw/zinc/83/76/02/551837602.db2.gz	JAMXKKHKCWQMAD-GOSISDBHSA-N	2	0	355.530	2.000	20	30		FEEDRP
CN(CCC[N@H+](C)Cc1cn(C)nc1-c1ccc(C#N)cc1)CC[NH+](C)C	ZINC000289163449	552276146	/nfs/dbraw/zinc/27/61/46/552276146.db2.gz	DUFRZTZLUBAGOS-UHFFFAOYSA-N	2	0	368.529	2.274	20	30		FEEDRP
N#CC1(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CCCCC1	ZINC000299617563	553589663	/nfs/dbraw/zinc/58/96/63/553589663.db2.gz	YZGYELJIUYLBLV-UHFFFAOYSA-N	2	0	355.486	2.184	20	30		FEEDRP
N#Cc1ccc(OC[C@@H](O)C[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1	ZINC000312626591	553756530	/nfs/dbraw/zinc/75/65/30/553756530.db2.gz	IDVSWESSAIDIGI-RTWAWAEBSA-N	2	0	365.477	2.410	20	30		FEEDRP
C[C@H](C#N)Oc1ccc(C[N@@H+]2CCC[C@@H](CN3CC[NH+](C)CC3)C2)cc1	ZINC000368050182	556204835	/nfs/dbraw/zinc/20/48/35/556204835.db2.gz	DEHNLCVKKYLXGG-QUCCMNQESA-N	2	0	356.514	2.437	20	30		FEEDRP
C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@@H+]2CCc2ccccc2)CC1	ZINC000370197007	556808222	/nfs/dbraw/zinc/80/82/22/556808222.db2.gz	HOMTUZOSTPOFSS-NRFANRHFSA-N	2	0	353.510	2.155	20	30		FEEDRP
C(#CCN1CCC[C@H]([NH+]2CCCC2)C1)CN1CCC[C@H]([NH+]2CCCC2)C1	ZINC000370469033	556881490	/nfs/dbraw/zinc/88/14/90/556881490.db2.gz	LMJHIEBHJFBRFX-VXKWHMMOSA-N	2	0	358.574	2.110	20	30		FEEDRP
C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)Nc1ccc2c(c1)C[NH2+]C2)C(C)C	ZINC000414694486	559180266	/nfs/dbraw/zinc/18/02/66/559180266.db2.gz	NXMYFTTVCMAMKN-IBGZPJMESA-N	2	0	370.497	2.043	20	30		FEEDRP
N#Cc1ccc(C[N@H+]2CCCN(C(=O)N[C@@H]3CCCC[C@@H]3C[NH3+])CC2)cc1	ZINC000418408338	559400573	/nfs/dbraw/zinc/40/05/73/559400573.db2.gz	GIWPLWQTGKRPNX-WOJBJXKFSA-N	2	0	369.513	2.293	20	30		FEEDRP
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](C[NH3+])C1CCCC1	ZINC000418608642	559407756	/nfs/dbraw/zinc/40/77/56/559407756.db2.gz	BMYXOUYCUIXJEO-IBGZPJMESA-N	2	0	357.502	2.149	20	30		FEEDRP
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NC[C@H]1CCC[C@H]([NH3+])C1	ZINC000418712644	559411997	/nfs/dbraw/zinc/41/19/97/559411997.db2.gz	GQKAQESKETVGJW-OALUTQOASA-N	2	0	357.502	2.149	20	30		FEEDRP
N#Cc1ccc(C[N@H+]2CCCN(C(=O)NCCC[C@H]3CCC[NH2+]3)CC2)cc1	ZINC000418776586	559415419	/nfs/dbraw/zinc/41/54/19/559415419.db2.gz	UFOLQLGFQZCMSV-HXUWFJFHSA-N	2	0	369.513	2.308	20	30		FEEDRP
CC[NH+](CC)CCO[C@@H]1CC[N@H+](CCC(=O)Nc2ccccc2C#N)C1	ZINC000472267011	561022415	/nfs/dbraw/zinc/02/24/15/561022415.db2.gz	AMPDTCHDNHIEQT-GOSISDBHSA-N	2	0	358.486	2.320	20	30		FEEDRP
N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F	ZINC000591580699	672691862	/nfs/dbraw/zinc/69/18/62/672691862.db2.gz	NKZADKGPCFCTNL-IAGOWNOFSA-N	2	0	352.404	2.361	20	30		FEEDRP
C[NH+]=C(NCC1([NH+]2CCSCC2)CCCC1)N(C)Cc1ccon1	ZINC000261795975	672903271	/nfs/dbraw/zinc/90/32/71/672903271.db2.gz	QXHOBWYSQFWHJT-UHFFFAOYSA-N	2	0	351.520	2.043	20	30		FEEDRP
C[NH+]=C(N[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C)NC1CC[NH+](CC(C)C)CC1	ZINC000262413078	672915044	/nfs/dbraw/zinc/91/50/44/672915044.db2.gz	PPYQOSKGHUBYDU-KSZLIROESA-N	2	0	350.551	2.475	20	30		FEEDRP
CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCOc1ccc(C(F)(F)F)cc1	ZINC000303868049	673018017	/nfs/dbraw/zinc/01/80/17/673018017.db2.gz	DHGSTHWTEMHAJX-CQSZACIVSA-N	2	0	358.408	2.473	20	30		FEEDRP
C#CC[N@@H+](C)CCCNC(=O)NC[C@@H](c1ccc(SC)cc1)[NH+](C)C	ZINC000838621808	680706508	/nfs/dbraw/zinc/70/65/08/680706508.db2.gz	DAPCCMQSGUQCAH-SFHVURJKSA-N	2	0	362.543	2.266	20	30		FEEDRP
C=C(Br)C[NH2+]C1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1	ZINC000996602738	680336426	/nfs/dbraw/zinc/33/64/26/680336426.db2.gz	GEXHPANIGXQLDX-LSDHHAIUSA-N	2	0	358.324	2.206	20	30		FEEDRP
Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)C#CC1CC[NH2+]CC1	ZINC000852862806	682351280	/nfs/dbraw/zinc/35/12/80/682351280.db2.gz	HFZLFYFCWAAJSC-UHFFFAOYSA-N	2	0	357.523	2.485	20	30		FEEDRP
C[NH+](C)C[C@@H]1CN(c2nc3cc(Cl)ccn3c2C#N)C[C@H]1C[NH+](C)C	ZINC000866011639	684060442	/nfs/dbraw/zinc/06/04/42/684060442.db2.gz	IEDQAPADZRCDIN-ZIAGYGMSSA-N	2	0	360.893	2.035	20	30		FEEDRP
C=CC[NH+]1CCC(NC(=O)[C@H]([NH3+])c2cccc(Br)c2)CC1	ZINC000870883065	684766176	/nfs/dbraw/zinc/76/61/76/684766176.db2.gz	LFGOSXVTTQTVSC-OAHLLOKOSA-N	2	0	352.276	2.216	20	30		FEEDRP
C=C(Cl)C[C@@H]([NH3+])C(=O)N(Cc1ccccc1)[C@H](C)CN1CCOCC1	ZINC000876753425	686260908	/nfs/dbraw/zinc/26/09/08/686260908.db2.gz	KSFMAZKICZTLLM-SJLPKXTDSA-N	2	0	365.905	2.206	20	30		FEEDRP
CCC[N@@H+]1CC[C@@H](CNC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)C1	ZINC000097176704	543006849	/nfs/dbraw/zinc/00/68/49/543006849.db2.gz	RQSKPXDTGSZHMG-FQEVSTJZSA-N	2	0	371.529	2.363	20	30		FEEDRP
C=CCN(CCOC)CC(=O)N1CCC[N@H+](Cc2ccccc2C)CC1	ZINC000191076599	548340675	/nfs/dbraw/zinc/34/06/75/548340675.db2.gz	WARJHSVSWPLYPC-UHFFFAOYSA-N	2	0	359.514	2.164	20	30		FEEDRP
C[NH+]=C(NCc1nc(-c2ccccc2)c[nH]1)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C	ZINC000261937892	549772219	/nfs/dbraw/zinc/77/22/19/549772219.db2.gz	CXTMPBOQQRLEOP-RDTXWAMCSA-N	2	0	352.486	2.224	20	30		FEEDRP
C[NH+]=C(NCc1coc(-c2ccccc2)n1)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C	ZINC000262010022	549779420	/nfs/dbraw/zinc/77/94/20/549779420.db2.gz	WJQYZYLBFQEYPU-KDOFPFPSSA-N	2	0	353.470	2.489	20	30		FEEDRP
Cn1cc(C[N@H+](C)CCCN2CC[NH+](C)CC2)c(-c2ccc(C#N)cc2)n1	ZINC000273040582	550481781	/nfs/dbraw/zinc/48/17/81/550481781.db2.gz	WPTRYLLWPXBKDV-UHFFFAOYSA-N	2	0	366.513	2.028	20	30		FEEDRP
Cn1cc(C[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)c(-c2ccc(C#N)cc2)n1	ZINC000282367890	551218444	/nfs/dbraw/zinc/21/84/44/551218444.db2.gz	NTDQNXVVHMNMPV-UHFFFAOYSA-N	2	0	366.513	2.074	20	30		FEEDRP
C#CC[NH+]1CCC(C(=O)N2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)CC1	ZINC000288360213	552140153	/nfs/dbraw/zinc/14/01/53/552140153.db2.gz	KOTJJSQSNQVGCP-QHCPKHFHSA-N	2	0	365.521	2.456	20	30		FEEDRP
CN(CCCNC(=[NH2+])Nc1ccccc1OC(F)(F)F)CC[NH+](C)C	ZINC000288727312	552201620	/nfs/dbraw/zinc/20/16/20/552201620.db2.gz	MXOUWKMVJYJNOZ-UHFFFAOYSA-N	2	0	361.412	2.195	20	30		FEEDRP
C#CC[NH+]1CCC(C(=O)NC[C@H](c2ccc(SC)cc2)[NH+](C)C)CC1	ZINC000294542446	552914306	/nfs/dbraw/zinc/91/43/06/552914306.db2.gz	UCNOLOOACPWIRM-LJQANCHMSA-N	2	0	359.539	2.473	20	30		FEEDRP
C#CC[N@H+](C)CCCNC(=O)NCc1nccn1CCCc1ccccc1	ZINC000296286136	553135082	/nfs/dbraw/zinc/13/50/82/553135082.db2.gz	BXRPWWMVMGIBRB-UHFFFAOYSA-N	2	0	367.497	2.270	20	30		FEEDRP
C[NH+]1CCC[C@H](CNc2nc(NC[C@H]3CCC[N@@H+](C)C3)ccc2C#N)C1	ZINC000302892231	553740872	/nfs/dbraw/zinc/74/08/72/553740872.db2.gz	PZJDSSPYWHCBAI-IAGOWNOFSA-N	2	0	356.518	2.461	20	30		FEEDRP
Cn1nccc1[C@H]1[C@H](CNC(=O)C[N@H+](C)[C@H]2CCSC2)CCC[NH+]1C	ZINC000329159326	553891496	/nfs/dbraw/zinc/89/14/96/553891496.db2.gz	DFYMGWLZHZFWTE-RLFYNMQTSA-N	2	0	365.547	2.197	20	30		FEEDRP
CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N1CCN(CC)[C@@H](c2ncc[nH]2)C1	ZINC000329945131	554036629	/nfs/dbraw/zinc/03/66/29/554036629.db2.gz	FRKVYBQHMDLGRB-IAGOWNOFSA-N	2	0	362.522	2.267	20	30		FEEDRP
C#CC[NH+]1CCC(C(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)CC1	ZINC000365746079	555658061	/nfs/dbraw/zinc/65/80/61/555658061.db2.gz	HVMLIRBOLWADCY-VXKWHMMOSA-N	2	0	365.521	2.312	20	30		FEEDRP
C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCC(N2CC[NH+](CCC)CC2)CC1	ZINC000369153677	556519008	/nfs/dbraw/zinc/51/90/08/556519008.db2.gz	DNOGLOCWTVFVQY-IBGZPJMESA-N	2	0	364.578	2.292	20	30		FEEDRP
CN1CC[NH+](CC2(C)CC[NH+](Cc3cnc4ccc(C#N)cn34)CC2)CC1	ZINC000371868859	557315195	/nfs/dbraw/zinc/31/51/95/557315195.db2.gz	CIQBRSZPLCKEDH-UHFFFAOYSA-N	2	0	366.513	2.055	20	30		FEEDRP
Cc1ccc(C[N@H+]2CC[C@H](CN(C)CC(=O)NC3(C#N)CCC3)C2)s1	ZINC000518777958	562118167	/nfs/dbraw/zinc/11/81/67/562118167.db2.gz	DLTOPPZWLXGDIS-MRXNPFEDSA-N	2	0	360.527	2.373	20	30		FEEDRP
C[C@H](C(=O)NC1(C#N)CCC1)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1	ZINC000519235129	562127853	/nfs/dbraw/zinc/12/78/53/562127853.db2.gz	YLIQVPNHVPVVII-HOJAQTOUSA-N	2	0	366.509	2.391	20	30		FEEDRP
N#Cc1ccc(C[NH2+]CCCC[NH+]2CCN(c3ncccn3)CC2)cc1	ZINC000520215845	562150700	/nfs/dbraw/zinc/15/07/00/562150700.db2.gz	UJCPUGZXTLPVNH-UHFFFAOYSA-N	2	0	350.470	2.040	20	30		FEEDRP
CCN(C[C@@H](C)C#N)C(=O)C[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1	ZINC000374834608	557938224	/nfs/dbraw/zinc/93/82/24/557938224.db2.gz	AYVXNIWKBZVQDD-KRWDZBQOSA-N	2	0	357.502	2.238	20	30		FEEDRP
C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2Cc1nnc(-c2ccc(C#N)cc2)o1	ZINC000378245683	558510390	/nfs/dbraw/zinc/51/03/90/558510390.db2.gz	CUAJVGIVBBGRLP-KZNAEPCWSA-N	2	0	367.453	2.292	20	30		FEEDRP
C[C@H](C(=O)Nc1cccc(C#N)c1)N1CCC(C)(C[NH+]2CCOCC2)CC1	ZINC000378267887	558515527	/nfs/dbraw/zinc/51/55/27/558515527.db2.gz	CTGDNYANIHHRFM-QGZVFWFLSA-N	2	0	370.497	2.320	20	30		FEEDRP
C=C(C)C[NH+]1CCC(NC(=O)C2CC[NH+]([C@H]3CCSC3)CC2)CC1	ZINC000412033450	559004458	/nfs/dbraw/zinc/00/44/58/559004458.db2.gz	FDMPVFVLKBVNSW-SFHVURJKSA-N	2	0	351.560	2.361	20	30		FEEDRP
C=CC[NH+](CC=C)[C@H](CNC(=O)c1cnn([C@@H]2CCC[NH2+]C2)c1)C(C)C	ZINC000423351375	559626318	/nfs/dbraw/zinc/62/63/18/559626318.db2.gz	YZHZHVHKBNQOKK-RTBURBONSA-N	2	0	359.518	2.236	20	30		FEEDRP
C=CCOc1ccccc1C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1	ZINC000469867384	560967347	/nfs/dbraw/zinc/96/73/47/560967347.db2.gz	VQCYFDUDDPJNDL-HKUYNNGSSA-N	2	0	357.498	2.332	20	30		FEEDRP
C[NH+]=C(NCC1([NH+](C)C)CCOCC1)N(C)Cc1ccc(Cl)cc1	ZINC000088382338	670691239	/nfs/dbraw/zinc/69/12/39/670691239.db2.gz	PKKBAXMGMRXSDQ-UHFFFAOYSA-N	2	0	352.910	2.458	20	30		FEEDRP
C[C@@H]([NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc(OCC#N)cc1	ZINC000817971650	675188433	/nfs/dbraw/zinc/18/84/33/675188433.db2.gz	FZVJTLYLYLAIAR-CZUORRHYSA-N	2	0	356.392	2.076	20	30		FEEDRP
[NH2+]=C(NCCC[NH+]1CCC(O)CC1)Nc1ccccc1OC(F)(F)F	ZINC000160659968	672292537	/nfs/dbraw/zinc/29/25/37/672292537.db2.gz	RLEOVCAFMHHLTA-UHFFFAOYSA-N	2	0	360.380	2.159	20	30		FEEDRP
CC[NH+]=C(NCC1(O)CCCCC1)N1CC[C@@H](C[NH+]2CCCCC2)C1	ZINC000262820826	672921894	/nfs/dbraw/zinc/92/18/94/672921894.db2.gz	YGNXYWLVNZNCPD-SFHVURJKSA-N	2	0	350.551	2.455	20	30		FEEDRP
CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCOc1cccc(C(F)(F)F)c1	ZINC000303878063	673018144	/nfs/dbraw/zinc/01/81/44/673018144.db2.gz	IYKNBJZJCTTZKH-AWEZNQCLSA-N	2	0	358.408	2.473	20	30		FEEDRP
C[C@H](CNC(NCc1cccs1)=[NH+]C(C)(C)C)C[NH+]1CCN(C)CC1	ZINC000912506106	685388830	/nfs/dbraw/zinc/38/88/30/685388830.db2.gz	JGVYWQYAANZWLW-MRXNPFEDSA-N	2	0	365.591	2.465	20	30		FEEDRP
C[NH+](C)[C@H](CNC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N)c1ccc(Cl)cc1	ZINC000884231153	687824817	/nfs/dbraw/zinc/82/48/17/687824817.db2.gz	KHULKNWJMQEJPE-QXCFYTAISA-N	2	0	360.889	2.198	20	30		FEEDRP
C#CC[NH+]1CCC(C(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2F)CC1	ZINC000068312308	541575397	/nfs/dbraw/zinc/57/53/97/541575397.db2.gz	OUGHPLMVWFRFIT-UHFFFAOYSA-N	2	0	363.452	2.200	20	30		FEEDRP
CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccc(N(C)CCC#N)cc3)C2)CC1	ZINC000093133172	542911381	/nfs/dbraw/zinc/91/13/81/542911381.db2.gz	GZBLVIURDMLAQO-OAQYLSRUSA-N	2	0	355.530	2.248	20	30		FEEDRP
N#Cc1ccccc1CON=C(N)c1ccccc1C[NH+]1CCC(O)CC1	ZINC000104054303	543121178	/nfs/dbraw/zinc/12/11/78/543121178.db2.gz	HHJANVHFPKHOBL-UHFFFAOYSA-N	2	0	364.449	2.352	20	30		FEEDRP
CC[N@H+](CC1CCN(c2ccccn2)CC1)[C@H](C)C(=O)N(C)CCC#N	ZINC000160017720	546001285	/nfs/dbraw/zinc/00/12/85/546001285.db2.gz	OIINVBMOKYHQDE-QGZVFWFLSA-N	2	0	357.502	2.380	20	30		FEEDRP
C=C(C)C[NH+]1CCC(NC(=O)Nc2cc(C(N)=O)ccc2C[NH+](C)C)CC1	ZINC000177488544	546630137	/nfs/dbraw/zinc/63/01/37/546630137.db2.gz	FEBXOUPITUAKSH-UHFFFAOYSA-N	2	0	373.501	2.009	20	30		FEEDRP
COc1ccccc1CNC(=[NH2+])NCC1(N2CCCCC2)CC[NH+](C)CC1	ZINC000178585872	546815164	/nfs/dbraw/zinc/81/51/64/546815164.db2.gz	RJSANKQZYLNBPH-UHFFFAOYSA-N	2	0	373.545	2.050	20	30		FEEDRP
COc1ccccc1CNC(=[NH2+])NCC1CCN(c2cc[nH+]cc2)CC1	ZINC000179738199	547006422	/nfs/dbraw/zinc/00/64/22/547006422.db2.gz	RKKYWYXDBRESTC-UHFFFAOYSA-N	2	0	353.470	2.411	20	30		FEEDRP
C#CC[NH+]1CCC(C(=O)Nc2ccc(C)c(NC(=O)CC[NH+](C)C)c2)CC1	ZINC000186237318	548104896	/nfs/dbraw/zinc/10/48/96/548104896.db2.gz	CSUGRAYGWNYKAL-UHFFFAOYSA-N	2	0	370.497	2.169	20	30		FEEDRP
C#CC[NH+]1CCC(c2nc(-c3ccccc3OCC[NH+](C)C)no2)CC1	ZINC000277846087	550720978	/nfs/dbraw/zinc/72/09/78/550720978.db2.gz	JBYUGIFDPGIGBV-UHFFFAOYSA-N	2	0	354.454	2.490	20	30		FEEDRP
C#CC[NH+]1CCC(C(=O)Nc2cccc(NC(=O)C[NH+](CC)CC)c2)CC1	ZINC000288067116	552084788	/nfs/dbraw/zinc/08/47/88/552084788.db2.gz	DXEVGNFHKZDYNM-UHFFFAOYSA-N	2	0	370.497	2.251	20	30		FEEDRP
N#Cc1cccc(NC(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)c1	ZINC000299545443	553579358	/nfs/dbraw/zinc/57/93/58/553579358.db2.gz	KBBZMSOZDZYKFY-UHFFFAOYSA-N	2	0	364.453	2.287	20	30		FEEDRP
COCC[N@H+](C)CCOc1cccc(CNC(=[NH2+])N2CCC(C)CC2)c1	ZINC000303398037	553745400	/nfs/dbraw/zinc/74/54/00/553745400.db2.gz	JBRZFIQZEKGUGU-UHFFFAOYSA-N	2	0	362.518	2.190	20	30		FEEDRP
N#Cc1ccc(OC[C@H](O)C[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1	ZINC000312626589	553756674	/nfs/dbraw/zinc/75/66/74/553756674.db2.gz	IDVSWESSAIDIGI-NHCUHLMSSA-N	2	0	365.477	2.410	20	30		FEEDRP
C[C@H](C[NH+]1CCOCC1)C(=O)Nc1ccccc1C[NH+]1CCC(O)CC1	ZINC000329369660	553933751	/nfs/dbraw/zinc/93/37/51/553933751.db2.gz	JOFYHQYSKAJUQH-MRXNPFEDSA-N	2	0	361.486	2.200	20	30		FEEDRP
CC(C)[C@@](C)(C#N)NC(=O)C[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1	ZINC000367886884	556165567	/nfs/dbraw/zinc/16/55/67/556165567.db2.gz	RIQUIVNFFRTFDU-HXUWFJFHSA-N	2	0	357.502	2.284	20	30		FEEDRP
C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCC(N2CC[NH+](C(C)C)CC2)CC1	ZINC000371350070	557156476	/nfs/dbraw/zinc/15/64/76/557156476.db2.gz	PIJTYWLDFCFOPJ-IBGZPJMESA-N	2	0	364.578	2.290	20	30		FEEDRP
C=CC[NH+](CC=C)[C@H](CNC(=O)[C@]1([NH3+])[C@H]2CCCO[C@@H]2C1(C)C)C(C)C	ZINC000372567403	557506921	/nfs/dbraw/zinc/50/69/21/557506921.db2.gz	FVMVVSQRDVJCAI-TWFHAPMSSA-N	2	0	363.546	2.334	20	30		FEEDRP
C#CC[NH+]1CCC(C(=O)NC[C@]2(C)CC[N@H+](Cc3ccccc3)C2)CC1	ZINC000374280386	557857196	/nfs/dbraw/zinc/85/71/96/557857196.db2.gz	OGCDMUQCCWVYKM-QFIPXVFZSA-N	2	0	353.510	2.360	20	30		FEEDRP
C[NH+](C)C1CCN(CCNC(=O)N[C@@H]2CCCc3cc(C#N)ccc32)CC1	ZINC000419494914	559445080	/nfs/dbraw/zinc/44/50/80/559445080.db2.gz	RFEYZRCPRAQGNB-HXUWFJFHSA-N	2	0	369.513	2.261	20	30		FEEDRP
N#CCCn1cc(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)c(-c2ccncc2)n1	ZINC000433335264	559877193	/nfs/dbraw/zinc/87/71/93/559877193.db2.gz	KYUCSOVTQMUOBQ-INIZCTEOSA-N	2	0	350.470	2.433	20	30		FEEDRP
C=CCOc1ccc(C[N@@H+]2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)cc1	ZINC000469866537	560967442	/nfs/dbraw/zinc/96/74/42/560967442.db2.gz	ZDOSTCSPVXRLPU-UYAOXDASSA-N	2	0	357.498	2.332	20	30		FEEDRP
C[NH+](C)C[C@H](NC(=O)[C@H]([NH3+])CCCC#N)c1cccc(C(F)(F)F)c1	ZINC000602583904	567994094	/nfs/dbraw/zinc/99/40/94/567994094.db2.gz	VLVVMYMWWCAFAK-CABCVRRESA-N	2	0	356.392	2.445	20	30		FEEDRP
C[C@H](C(=O)NC1(C#N)CCCCC1)N1CCCN(c2cc[nH+]cc2)CC1	ZINC000602845392	568000017	/nfs/dbraw/zinc/00/00/17/568000017.db2.gz	JIXQUEFXCBDRRZ-QGZVFWFLSA-N	2	0	355.486	2.325	20	30		FEEDRP
CC[NH+]=C(NCC1(SC)CCOCC1)N1CC[C@@H]([NH+]2CCCCC2)C1	ZINC000086741090	670684429	/nfs/dbraw/zinc/68/44/29/670684429.db2.gz	ZGCIDZKKLWGJCJ-QGZVFWFLSA-N	2	0	368.591	2.424	20	30		FEEDRP
C[NH+](C)Cc1ccc(C[NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)cc1	ZINC000582640930	672020369	/nfs/dbraw/zinc/02/03/69/672020369.db2.gz	MHAWMRWJTMMFBV-UHFFFAOYSA-N	2	0	357.479	2.183	20	30		FEEDRP
COC1CC[NH+](CCNC(=[NH2+])Nc2ccccc2OC(F)(F)F)CC1	ZINC000160749549	672293296	/nfs/dbraw/zinc/29/32/96/672293296.db2.gz	PVZPCADMTGJHQK-UHFFFAOYSA-N	2	0	360.380	2.423	20	30		FEEDRP
C[NH+]=C(NC[C@H](O)C1CCCCC1)N1CC[C@H](C[NH+]2CCCCC2)C1	ZINC000262758508	672920410	/nfs/dbraw/zinc/92/04/10/672920410.db2.gz	CHWVYRIMWCGPSD-MJGOQNOKSA-N	2	0	350.551	2.311	20	30		FEEDRP
CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCc1cc(Cl)c2c(c1)OCCO2	ZINC000303778315	673017656	/nfs/dbraw/zinc/01/76/56/673017656.db2.gz	JLUXNUYKNLBFRA-AWEZNQCLSA-N	2	0	366.893	2.042	20	30		FEEDRP
CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(Br)c(F)c1	ZINC000303898638	673018544	/nfs/dbraw/zinc/01/85/44/673018544.db2.gz	VOBGCXWSAXPIJC-GFCCVEGCSA-N	2	0	357.271	2.477	20	30		FEEDRP
CCNC(NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1)=[NH+]CC	ZINC000304006900	673019564	/nfs/dbraw/zinc/01/95/64/673019564.db2.gz	TVMDTOROWVCDDZ-UHFFFAOYSA-N	2	0	351.926	2.427	20	30		FEEDRP
CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1snc(C)c1C#N	ZINC000839100716	680737943	/nfs/dbraw/zinc/73/79/43/680737943.db2.gz	DLLMMZGPVLKVLE-CQSZACIVSA-N	2	0	364.519	2.203	20	30		FEEDRP
C[C@@H]1[C@H](C(=O)N2CCC(C[NH2+]Cc3ccc(C#N)s3)CC2)CC[N@@H+]1C	ZINC000997785045	680366505	/nfs/dbraw/zinc/36/65/05/680366505.db2.gz	ICERYTGFAGCZDF-RDTXWAMCSA-N	2	0	360.527	2.288	20	30		FEEDRP
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1	ZINC000079458611	325091731	/nfs/dbraw/zinc/09/17/31/325091731.db2.gz	JZUDJTIKGUQEOC-LJQANCHMSA-N	2	0	369.513	2.116	20	30		FEEDRP
COc1ccc(C#N)cc1NC(=O)NC1CC[NH+](C2CCN(C)CC2)CC1	ZINC000275579169	330065820	/nfs/dbraw/zinc/06/58/20/330065820.db2.gz	FKKDTGJZQWPKHN-UHFFFAOYSA-N	2	0	371.485	2.247	20	30		FEEDRP
C=CCN(CC=C)C(=O)C[NH+]1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1	ZINC000177506391	546632888	/nfs/dbraw/zinc/63/28/88/546632888.db2.gz	GKOXQIRTWJXSHA-KDURUIRLSA-N	2	0	363.546	2.398	20	30		FEEDRP
C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)C1[NH2+]CCC(=O)N(C)CCC#N	ZINC000189948256	548314392	/nfs/dbraw/zinc/31/43/92/548314392.db2.gz	NBRNFQIJMFRVKR-HTZLVSCSSA-N	2	0	356.514	2.495	20	30		FEEDRP
C=CCNC(=O)NC(=O)[C@H](C)[NH2+]Cc1ccccc1C[NH+]1CCC(C)CC1	ZINC000194017064	548422608	/nfs/dbraw/zinc/42/26/08/548422608.db2.gz	JQRDZHZCXQLXCD-KRWDZBQOSA-N	2	0	372.513	2.408	20	30		FEEDRP
CN1CCC[N@H+](CCCNC(=[NH2+])NCc2cccc(C(F)(F)F)c2)CC1	ZINC000266990715	550026396	/nfs/dbraw/zinc/02/63/96/550026396.db2.gz	UQVXSGDESGMBNU-UHFFFAOYSA-N	2	0	371.451	2.137	20	30		FEEDRP
N#Cc1ccc(N2CCC([NH2+]CCCC[N@H+]3CCC[C@@H]3CO)CC2)cc1	ZINC000286239868	551864601	/nfs/dbraw/zinc/86/46/01/551864601.db2.gz	TYERQOVMUPKABW-OAQYLSRUSA-N	2	0	356.514	2.354	20	30		FEEDRP
C=CC[NH+]1CCC(NC(=O)N[C@H](C[NH+](C)C)c2ccc(OC)cc2)CC1	ZINC000287844859	552054024	/nfs/dbraw/zinc/05/40/24/552054024.db2.gz	VKNFBJBIVRWOKW-LJQANCHMSA-N	2	0	360.502	2.248	20	30		FEEDRP
CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N1CCN(CC)[C@H](c2ncc[nH]2)C1	ZINC000329945132	554036924	/nfs/dbraw/zinc/03/69/24/554036924.db2.gz	FRKVYBQHMDLGRB-SJORKVTESA-N	2	0	362.522	2.267	20	30		FEEDRP
CC[NH+]1CCN([C@@H](C)C[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)CC1	ZINC000367614022	556097578	/nfs/dbraw/zinc/09/75/78/556097578.db2.gz	FCTFMWTXVFPEDR-SFHVURJKSA-N	2	0	355.530	2.143	20	30		FEEDRP
C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@@H]1[NH2+]CCC(=O)Nc1ccc(C#N)cc1	ZINC000368417475	556302810	/nfs/dbraw/zinc/30/28/10/556302810.db2.gz	SHMGIPAJOXIXEV-AHRSYUTCSA-N	2	0	370.497	2.366	20	30		FEEDRP
C=CCN(C(=O)NCCn1ccnc1)[C@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000368925031	556449999	/nfs/dbraw/zinc/44/99/99/556449999.db2.gz	PPYQCUZJPVHCPK-IBGZPJMESA-N	2	0	353.470	2.355	20	30		FEEDRP
C[C@@H]1C[C@H]([NH+]2CCCC2)CN1CC#CCN1C[C@@H]([NH+]2CCCC2)C[C@H]1C	ZINC000375795194	558080753	/nfs/dbraw/zinc/08/07/53/558080753.db2.gz	WJJCAPWOXDXKCW-CZYKHXBRSA-N	2	0	358.574	2.107	20	30		FEEDRP
N#Cc1ccc(CN2CCC([NH2+][C@@H]3CCO[C@]4(CCOC4)C3)CC2)cc1	ZINC000376163156	558135244	/nfs/dbraw/zinc/13/52/44/558135244.db2.gz	QOANBAQMKDQNOO-NHCUHLMSSA-N	2	0	355.482	2.450	20	30		FEEDRP
CC(=O)N1CCC[N@H+](C[C@H]2CCCN(Cc3ccc(C#N)cc3F)C2)CC1	ZINC000449497086	560231711	/nfs/dbraw/zinc/23/17/11/560231711.db2.gz	KDMUZBQZBLIHBY-LJQANCHMSA-N	2	0	372.488	2.464	20	30		FEEDRP
C=C[C@@H]1OCC[C@H]1[NH2+]CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1	ZINC000451606371	560317160	/nfs/dbraw/zinc/31/71/60/560317160.db2.gz	IASFXYOIIOAVAV-MSOLQXFVSA-N	2	0	361.511	2.107	20	30		FEEDRP
C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)NCc1ccc(C#N)c(F)c1	ZINC000459123758	560668188	/nfs/dbraw/zinc/66/81/88/560668188.db2.gz	PSNBZXJLWOKXMA-UHFFFAOYSA-N	2	0	363.481	2.112	20	30		FEEDRP
C[C@H]1C[C@@H](NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)CC[N@@H+]1C	ZINC000466033203	560878642	/nfs/dbraw/zinc/87/86/42/560878642.db2.gz	BKNWBBRXQYPNDZ-LPHOPBHVSA-N	2	0	357.502	2.114	20	30		FEEDRP
C[C@@H](CC1(C#N)CCOCC1)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1	ZINC000602510602	567989195	/nfs/dbraw/zinc/98/91/95/567989195.db2.gz	KCGZISJTVMZIGN-KRWDZBQOSA-N	2	0	357.502	2.022	20	30		FEEDRP
C[NH+](C)CCc1ccc(C[NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)cc1	ZINC000568384398	568035774	/nfs/dbraw/zinc/03/57/74/568035774.db2.gz	DLANYTWGVIUQOH-UHFFFAOYSA-N	2	0	371.506	2.226	20	30		FEEDRP
C#CC[NH+]1CCC(C(=O)NC[C@H](C[NH+](C)C)c2ccc(Cl)cc2)CC1	ZINC000808113983	674441760	/nfs/dbraw/zinc/44/17/60/674441760.db2.gz	NJVZFFHBNBNOOV-GOSISDBHSA-N	2	0	361.917	2.447	20	30		FEEDRP
C[NH+]=C(NCC1(SC)CCOCC1)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C	ZINC000086764045	670684260	/nfs/dbraw/zinc/68/42/60/670684260.db2.gz	XSPRGNPPTNUBME-MQVJKMGUSA-N	2	0	354.564	2.079	20	30		FEEDRP
C[NH+]=C(NC[C@@H]1CCCO1)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1	ZINC000262441877	672916091	/nfs/dbraw/zinc/91/60/91/672916091.db2.gz	UTEIRFRVUAHDSC-ZOBUZTSGSA-N	2	0	350.532	2.475	20	30		FEEDRP
CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCNc1ncc(Cl)cc1Cl	ZINC000303872053	673017862	/nfs/dbraw/zinc/01/78/62/673017862.db2.gz	BSRUGJCCBPYWDX-LBPRGKRZSA-N	2	0	359.305	2.189	20	30		FEEDRP
CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCCC(=O)Nc1ccc(Cl)cc1	ZINC000303899141	673018627	/nfs/dbraw/zinc/01/86/27/673018627.db2.gz	VZOKCUDALREWJH-MRXNPFEDSA-N	2	0	365.909	2.447	20	30		FEEDRP
C#CC[N@@H+](C)CCCNC(=O)NC[C@H](c1ccc(SC)cc1)[NH+](C)C	ZINC000838621807	680706501	/nfs/dbraw/zinc/70/65/01/680706501.db2.gz	DAPCCMQSGUQCAH-GOSISDBHSA-N	2	0	362.543	2.266	20	30		FEEDRP
C#CC[N@@H+](C)CCCNC(=O)N(CC[NH+](C)C)Cc1cccc(Cl)c1	ZINC000838623200	680706705	/nfs/dbraw/zinc/70/67/05/680706705.db2.gz	USWLUXYVUGWSGN-UHFFFAOYSA-N	2	0	364.921	2.368	20	30		FEEDRP
C=CCNc1ncc(C(=O)N(CC[NH+](C)C)C[C@H]2CCC[N@H+]2CC)s1	ZINC000771005788	681036339	/nfs/dbraw/zinc/03/63/39/681036339.db2.gz	SFCVZLRDJNZIMF-OAHLLOKOSA-N	2	0	365.547	2.229	20	30		FEEDRP
CC[C@@H]1[C@@H](C(=O)N2CC[C@H]([NH+](C)Cc3ccc(C#N)s3)C2)CC[N@@H+]1C	ZINC000971568152	682362403	/nfs/dbraw/zinc/36/24/03/682362403.db2.gz	WHZVYQOBCWBPGL-JCGIZDLHSA-N	2	0	360.527	2.383	20	30		FEEDRP
C[NH+](C)C[C@@H]1CN(C(=O)c2ccccc2SCC#N)C[C@H]1C[NH+](C)C	ZINC000870024260	684675862	/nfs/dbraw/zinc/67/58/62/684675862.db2.gz	MXBDLNRNHMQTIS-HZPDHXFCSA-N	2	0	360.527	2.114	20	30		FEEDRP
C=C(Cl)C[C@H]([NH3+])C(=O)Nc1ccccc1C(=O)OC[C@H]1CCC[NH2+]1	ZINC000876521144	686214815	/nfs/dbraw/zinc/21/48/15/686214815.db2.gz	IEYZDVHUCCQBFR-OCCSQVGLSA-N	2	0	351.834	2.004	20	30		FEEDRP
C[NH+](C)[C@@H](CNC(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21)c1cccs1	ZINC000876710153	686249651	/nfs/dbraw/zinc/24/96/51/686249651.db2.gz	FLAHNLONRGIJOU-FUHWJXTLSA-N	2	0	354.479	2.226	20	30		FEEDRP
C=C(Cl)C[C@H]([NH3+])C(=O)NCc1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1	ZINC000876719812	686252760	/nfs/dbraw/zinc/25/27/60/686252760.db2.gz	WEMOIUDNWXEEGZ-MPGHIAIKSA-N	2	0	365.905	2.382	20	30		FEEDRP
C=C(Cl)C[C@H]([NH3+])C(=O)N(C)CCC1CC[NH+](C2CCN(C)CC2)CC1	ZINC000876785243	686268450	/nfs/dbraw/zinc/26/84/50/686268450.db2.gz	ROAMWZAYVZVLNP-SFHVURJKSA-N	2	0	370.969	2.111	20	30		FEEDRP
C#CCOc1ccccc1C[NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1	ZINC000066994816	541404507	/nfs/dbraw/zinc/40/45/07/541404507.db2.gz	BQZOFZXGZZUUGH-UHFFFAOYSA-N	2	0	365.477	2.280	20	30		FEEDRP
C[NH+]=C(NCCN1CCc2sccc2C1)NC1CC[NH+](C(C)C)CC1	ZINC000114090968	543504006	/nfs/dbraw/zinc/50/40/06/543504006.db2.gz	KNOWMKDFVRVNHL-UHFFFAOYSA-N	2	0	363.575	2.144	20	30		FEEDRP
C[C@@H]1C[C@H](NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)C[N@@H+]1C1CC1	ZINC000129864205	544129981	/nfs/dbraw/zinc/12/99/81/544129981.db2.gz	UIDFPNKIGVIRDB-APWZRJJASA-N	2	0	369.513	2.257	20	30		FEEDRP
C#CC[NH+]1CCC(C(=O)Nc2ccc3ccn(CC[NH+](C)C)c3c2)CC1	ZINC000153352399	544765379	/nfs/dbraw/zinc/76/53/79/544765379.db2.gz	JDPWETHKLVPWLU-UHFFFAOYSA-N	2	0	352.482	2.487	20	30		FEEDRP
CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(O)c(Br)c1	ZINC000153462430	544779104	/nfs/dbraw/zinc/77/91/04/544779104.db2.gz	JNKFYSKLZVKCFW-GFCCVEGCSA-N	2	0	355.280	2.043	20	30		FEEDRP
CC(C)[NH+]1CCN(CCC[NH+]2CCN(c3ccc(C#N)cc3F)CC2)CC1	ZINC000192729680	328335628	/nfs/dbraw/zinc/33/56/28/328335628.db2.gz	PXFQQXCCSVCLGM-UHFFFAOYSA-N	2	0	373.520	2.235	20	30		FEEDRP
CN1CCN(C(=O)CC2CC[NH+](Cc3ccc(F)c(C#N)c3)CC2)CC1	ZINC000120597944	326271689	/nfs/dbraw/zinc/27/16/89/326271689.db2.gz	PPGMHQRGNRRJIM-UHFFFAOYSA-N	2	0	358.461	2.073	20	30		FEEDRP
C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1	ZINC000171305606	546203122	/nfs/dbraw/zinc/20/31/22/546203122.db2.gz	IKWAVUVSUXXHMP-QRVBRYPASA-N	2	0	363.546	2.397	20	30		FEEDRP
C=CC[NH+]1CCC(NC(=O)N[C@@H]2CC[N@@H+](CCCOCC)C[C@@H]2C)CC1	ZINC000247302786	549314590	/nfs/dbraw/zinc/31/45/90/549314590.db2.gz	VCKNWDFDYSHDAV-PKOBYXMFSA-N	2	0	366.550	2.073	20	30		FEEDRP
C[NH+]=C(NC[C@@H]1CC[N@H+](C)C1)N(C)Cc1ccc(Br)cc1	ZINC000262587959	549830222	/nfs/dbraw/zinc/83/02/22/549830222.db2.gz	TXTHHKXUDKXYNB-AWEZNQCLSA-N	2	0	353.308	2.408	20	30		FEEDRP
NC(=O)C1CC[NH+](CCCCNC(=[NH2+])Nc2cccc3c2CCCC3)CC1	ZINC000267366868	550030441	/nfs/dbraw/zinc/03/04/41/550030441.db2.gz	XCEGCXIBHUKEHD-UHFFFAOYSA-N	2	0	371.529	2.270	20	30		FEEDRP
NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CNC(=[NH2+])Nc3ccccc3)c2)C1	ZINC000267467618	550032268	/nfs/dbraw/zinc/03/22/68/550032268.db2.gz	WWOKGIGQPJULSC-SFHVURJKSA-N	2	0	365.481	2.311	20	30		FEEDRP
C[N@@H+]1CCN(CCNC(=[NH2+])Nc2ccccc2OC(F)(F)F)CC1(C)C	ZINC000281867064	551150553	/nfs/dbraw/zinc/15/05/53/551150553.db2.gz	VZYBYMNDAAXWQV-UHFFFAOYSA-N	2	0	373.423	2.338	20	30		FEEDRP
C[C@H](CCN1CC[NH+](C)CC1)[NH2+]C1CCN(c2ccc(C#N)cc2)CC1	ZINC000286026282	551839847	/nfs/dbraw/zinc/83/98/47/551839847.db2.gz	IXWVUFBPWKHTNR-GOSISDBHSA-N	2	0	355.530	2.143	20	30		FEEDRP
CN(CC(=O)N(CCC#N)CCC#N)C[C@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000363322542	555078244	/nfs/dbraw/zinc/07/82/44/555078244.db2.gz	IPFWDDAWEKJRIC-HXUWFJFHSA-N	2	0	367.497	2.096	20	30		FEEDRP
C=C(C)C[NH+]1CCC(NC(=O)c2cnn(CC[NH+]3CCCCC3)c2)CC1	ZINC000365650230	555632070	/nfs/dbraw/zinc/63/20/70/555632070.db2.gz	YVKOTSHYUHCSEP-UHFFFAOYSA-N	2	0	359.518	2.139	20	30		FEEDRP
COc1cc(C#N)ccc1C[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1	ZINC000375245812	557997786	/nfs/dbraw/zinc/99/77/86/557997786.db2.gz	PHYUBFGCHVPFCJ-UHFFFAOYSA-N	2	0	356.514	2.416	20	30		FEEDRP
Cn1cc(N2CC[C@H]([NH2+]C3CCN(Cc4ccc(C#N)cc4)CC3)C2)cn1	ZINC000376177171	558137025	/nfs/dbraw/zinc/13/70/25/558137025.db2.gz	FUXPGYRBPHIJBN-FQEVSTJZSA-N	2	0	364.497	2.125	20	30		FEEDRP
N#Cc1ccc(NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)c([N+](=O)[O-])c1	ZINC000522133804	562192220	/nfs/dbraw/zinc/19/22/20/562192220.db2.gz	QIKARYLSSYIVKW-UHFFFAOYSA-N	2	0	366.425	2.486	20	30		FEEDRP
C[NH+](C)CCOc1cnccc1C[NH2+][C@@H]1CCC[C@@H]2O[C@H](CC#N)C[C@@H]21	ZINC000377559965	558364444	/nfs/dbraw/zinc/36/44/44/558364444.db2.gz	FEYKHTZFKYVWHC-MKXGPGLRSA-N	2	0	358.486	2.351	20	30		FEEDRP
CN(C[C@@H]1CCC[N@@H+]1C)c1ccc(C#N)c(N(C)C[C@@H]2CCC[NH+]2C)n1	ZINC000420645135	559494975	/nfs/dbraw/zinc/49/49/75/559494975.db2.gz	ZWQMRLBMNLEGMG-ROUUACIJSA-N	2	0	356.518	2.014	20	30		FEEDRP
C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)[NH2+]Cc1ccc(C#N)c(F)c1	ZINC000421341280	559539700	/nfs/dbraw/zinc/53/97/00/559539700.db2.gz	LBYRPGKXNGLPNF-FQEVSTJZSA-N	2	0	368.456	2.076	20	30		FEEDRP
C[C@@H]([NH2+]C1(CNC(=O)[C@H]([NH3+])CCCC#N)CCOCC1)c1ccccc1	ZINC000424147217	559656150	/nfs/dbraw/zinc/65/61/50/559656150.db2.gz	QVCQMLILRNMYHG-SJLPKXTDSA-N	2	0	358.486	2.024	20	30		FEEDRP
C(#CC[N@@H+]1CCOC[C@H](C2CCC2)C1)C[NH+]1CCOC[C@H](C2CCC2)C1	ZINC000429028236	559789135	/nfs/dbraw/zinc/78/91/35/559789135.db2.gz	MAUFHYXMWGEYMN-FGZHOGPDSA-N	2	0	360.542	2.487	20	30		FEEDRP
Cc1cc(C[NH2+]Cc2ccc(C(=O)NCC[NH+](C)C)cc2)ccc1C#N	ZINC000443993418	560098746	/nfs/dbraw/zinc/09/87/46/560098746.db2.gz	AWAZDIHRXOWYNV-UHFFFAOYSA-N	2	0	350.466	2.448	20	30		FEEDRP
C[C@H](CC1(C#N)CCOCC1)[NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1	ZINC000602534377	567992156	/nfs/dbraw/zinc/99/21/56/567992156.db2.gz	RGPNYVGJZULCCT-LJQANCHMSA-N	2	0	371.529	2.282	20	30		FEEDRP
Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1	ZINC000568520827	568045905	/nfs/dbraw/zinc/04/59/05/568045905.db2.gz	AQLZQHSNFQOXOS-IBGZPJMESA-N	2	0	360.421	2.496	20	30		FEEDRP
COCC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])Nc1ccccc1OC(F)(F)F	ZINC000160712647	672292950	/nfs/dbraw/zinc/29/29/50/672292950.db2.gz	AMPSXIROTNIHRK-GFCCVEGCSA-N	2	0	360.380	2.423	20	30		FEEDRP
CC[NH+]=C(NC[C@@H]1CCC[N@H+](CC(C)C)C1)N1CC[C@@]2(CCOC2)C1	ZINC000261960929	672906080	/nfs/dbraw/zinc/90/60/80/672906080.db2.gz	KCOQBOPEPCMKFS-AZUAARDMSA-N	2	0	350.551	2.432	20	30		FEEDRP
CC[C@@H]1[C@@H](C(=O)NC2CC(C[NH2+]Cc3ccc(C#N)s3)C2)CC[N@@H+]1C	ZINC000961856879	682103230	/nfs/dbraw/zinc/10/32/30/682103230.db2.gz	PUPCORPMYHIJCR-JOCCRWCTSA-N	2	0	360.527	2.334	20	30		FEEDRP
O=C(C#CC1CC[NH2+]CC1)Nc1ccc(CC[NH+]2CCSCC2)cc1	ZINC000852864160	682351108	/nfs/dbraw/zinc/35/11/08/682351108.db2.gz	XPPMRWCNWFMCRA-UHFFFAOYSA-N	2	0	357.523	2.219	20	30		FEEDRP
C#CC[NH+]1CCC(C(=O)NC2CC[NH+](Cc3ccccc3F)CC2)CC1	ZINC000057177206	540776707	/nfs/dbraw/zinc/77/67/07/540776707.db2.gz	DUISUTJUUZWKCG-UHFFFAOYSA-N	2	0	357.473	2.252	20	30		FEEDRP
C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](CCCSCC#N)CC1	ZINC000074991228	542143457	/nfs/dbraw/zinc/14/34/57/542143457.db2.gz	QMZNKAJWDMJLIL-UHFFFAOYSA-N	2	0	354.564	2.049	20	30		FEEDRP
CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](C)c1nc(-c2ccccc2)no1	ZINC000089595257	542765353	/nfs/dbraw/zinc/76/53/53/542765353.db2.gz	FPTQRJIJZYGLKU-GDBMZVCRSA-N	2	0	356.474	2.229	20	30		FEEDRP
CC[NH+]1CCN(CCC[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)CC1	ZINC000180050563	327669184	/nfs/dbraw/zinc/66/91/84/327669184.db2.gz	WJEUJYPYYRBQJH-UHFFFAOYSA-N	2	0	366.513	2.076	20	30		FEEDRP
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NCC1([NH+](C)C)CCC1	ZINC000275711522	330080347	/nfs/dbraw/zinc/08/03/47/330080347.db2.gz	ZHYJLYJHJOUHNT-UHFFFAOYSA-N	2	0	357.502	2.116	20	30		FEEDRP
[NH2+]=C(NCCCC[NH+]1CCN(Cc2ccccc2)CC1)Nc1ccccn1	ZINC000170905875	546181776	/nfs/dbraw/zinc/18/17/76/546181776.db2.gz	DDHRMQCFISESSY-UHFFFAOYSA-N	2	0	366.513	2.406	20	30		FEEDRP
C=C(C)C[NH+]1CCC(NC(=O)NC2CC[NH+](Cc3ccncc3)CC2)CC1	ZINC000171554495	546213541	/nfs/dbraw/zinc/21/35/41/546213541.db2.gz	GVHAXLRBTBDUEM-UHFFFAOYSA-N	2	0	371.529	2.386	20	30		FEEDRP
COCCN1CCC[C@@H]1C[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1	ZINC000180163887	547060437	/nfs/dbraw/zinc/06/04/37/547060437.db2.gz	LPNFDZKOJKKWHH-LJQANCHMSA-N	2	0	353.470	2.159	20	30		FEEDRP
Cn1cc(C[NH2+]CCCC[N@@H+]2CCC[C@H]2CO)c(-c2ccc(C#N)cc2)n1	ZINC000180191166	547065552	/nfs/dbraw/zinc/06/55/52/547065552.db2.gz	HGJGIAJLSDRPHP-FQEVSTJZSA-N	2	0	367.497	2.285	20	30		FEEDRP
Cc1ccc(NC(=[NH2+])NCc2ccc(N3CC[NH+](C)CC3)nc2)cc1C	ZINC000264148327	549984842	/nfs/dbraw/zinc/98/48/42/549984842.db2.gz	YNOLOSBVZWYPCO-UHFFFAOYSA-N	2	0	352.486	2.377	20	30		FEEDRP
C[C@H](NC(=[NH2+])NC[C@@H]1C[N@H+](C)CCN1C)c1ccc(Cl)cc1Cl	ZINC000267446782	550031711	/nfs/dbraw/zinc/03/17/11/550031711.db2.gz	QHDKJYRPZYUASP-WCQYABFASA-N	2	0	358.317	2.205	20	30		FEEDRP
N#Cc1ccc(C[NH2+]CCCN2CCN(c3cc[nH+]cc3)CC2)c(F)c1	ZINC000269404526	550191428	/nfs/dbraw/zinc/19/14/28/550191428.db2.gz	HDSLAZIRZHCSCI-UHFFFAOYSA-N	2	0	353.445	2.394	20	30		FEEDRP
C=CCN1CC[C@H]([NH2+][C@@H](C)c2cc(F)ccc2N2CC[NH+](CC)CC2)C1=O	ZINC000499601823	561554334	/nfs/dbraw/zinc/55/43/34/561554334.db2.gz	FSCOHBUYDIVTFH-LPHOPBHVSA-N	2	0	374.504	2.405	20	30		FEEDRP
COc1ccc(NC(=[NH2+])NCC2(N3CCCCC3)CC[NH+](C)CC2)cc1	ZINC000304783765	553747525	/nfs/dbraw/zinc/74/75/25/553747525.db2.gz	HFJBWMABPMINIV-UHFFFAOYSA-N	2	0	359.518	2.372	20	30		FEEDRP
C[N@@H+]1CCCN(C(=O)[C@@H](Cc2c[nH]cn2)NC(=O)C2CCCCC2)CC1	ZINC000328783437	553821725	/nfs/dbraw/zinc/82/17/25/553821725.db2.gz	NNIUMTCBMHRHKY-QGZVFWFLSA-N	2	0	361.490	2.022	20	30		FEEDRP
C[N@@H+]1CC[C@@H]2CCN(C(=O)N[C@@H]3CCc4nc(C(C)(C)C)cn4C3)[C@@H]2C1	ZINC000329537681	553964032	/nfs/dbraw/zinc/96/40/32/553964032.db2.gz	MGPJJVRQCDUNDX-BZUAXINKSA-N	2	0	359.518	2.435	20	30		FEEDRP
C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NCC1([NH+]2CCOCC2)CCCCC1	ZINC000329815601	554011188	/nfs/dbraw/zinc/01/11/88/554011188.db2.gz	VIIJLVDIGVBVHA-AEFFLSMTSA-N	2	0	364.534	2.008	20	30		FEEDRP
Cc1cc(N2CCC(NC(=O)N[C@@H]3CC[N@H+](C)[C@H](C)C3)CC2)nc(C)n1	ZINC000330199624	554083842	/nfs/dbraw/zinc/08/38/42/554083842.db2.gz	VREHNNFISZFDOM-RHSMWYFYSA-N	2	0	360.506	2.049	20	30		FEEDRP
CN1CCC([NH+]2CCC(NC(=O)N[C@@H]3CCOC4(CCC4)C3)CC2)CC1	ZINC000330208976	554085833	/nfs/dbraw/zinc/08/58/33/554085833.db2.gz	HDVXHFGCBFNZAL-QGZVFWFLSA-N	2	0	364.534	2.150	20	30		FEEDRP
C(#CC[N@@H+]1CC[C@@H](C2CCOCC2)C1)C[NH+]1CC[C@H](C2CCOCC2)C1	ZINC000367060606	556000682	/nfs/dbraw/zinc/00/06/82/556000682.db2.gz	CSSRRAVWRWAWQS-SZPZYZBQSA-N	2	0	360.542	2.487	20	30		FEEDRP
C(#CC[N@@H+]1CC[C@H](C2CCOCC2)C1)C[NH+]1CC[C@H](C2CCOCC2)C1	ZINC000367060607	556000691	/nfs/dbraw/zinc/00/06/91/556000691.db2.gz	CSSRRAVWRWAWQS-VXKWHMMOSA-N	2	0	360.542	2.487	20	30		FEEDRP
CN(CCC#N)c1ccc(C[NH2+][C@@H]2CCN(C3CC[NH+](C)CC3)C2)cc1	ZINC000369278149	556561521	/nfs/dbraw/zinc/56/15/21/556561521.db2.gz	PSUGFZIUOPOWHP-LJQANCHMSA-N	2	0	355.530	2.295	20	30		FEEDRP
CN1c2ccccc2N(C)C1=C1C(=N)N([C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1=O	ZINC000371439155	557187032	/nfs/dbraw/zinc/18/70/32/557187032.db2.gz	SJBMKFACVKIOPE-LSDHHAIUSA-N	2	0	365.481	2.273	20	30		FEEDRP
CN1CC[NH+](CC2(C)CC[NH+](CCCC3(C#N)CCOCC3)CC2)CC1	ZINC000375614175	558057377	/nfs/dbraw/zinc/05/73/77/558057377.db2.gz	QIBVWSDYXDOYGQ-UHFFFAOYSA-N	2	0	362.562	2.436	20	30		FEEDRP
C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1CC#CCN1C[C@@H]([NH+]2CCCC2)C[C@H]1C	ZINC000375795201	558080672	/nfs/dbraw/zinc/08/06/72/558080672.db2.gz	WJJCAPWOXDXKCW-YSFYHYPLSA-N	2	0	358.574	2.107	20	30		FEEDRP
C[NH+](C)CCOc1cnccc1C[NH2+][C@@H]1CCC[C@@H]2O[C@H](CC#N)C[C@H]21	ZINC000377559962	558364304	/nfs/dbraw/zinc/36/43/04/558364304.db2.gz	FEYKHTZFKYVWHC-HCXYKTFWSA-N	2	0	358.486	2.351	20	30		FEEDRP
C[N@H+](CCCOc1ccc(C#N)cc1)[C@H]1CCN(C2CC[NH+](C)CC2)C1	ZINC000378296481	558523071	/nfs/dbraw/zinc/52/30/71/558523071.db2.gz	RVUQPXPBKJDTMA-FQEVSTJZSA-N	2	0	356.514	2.427	20	30		FEEDRP
C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccc(C[NH+](C)C)c(C)c2)CC1	ZINC000411230711	558857110	/nfs/dbraw/zinc/85/71/10/558857110.db2.gz	RQVXWMVISPYSPS-UHFFFAOYSA-N	2	0	372.513	2.152	20	30		FEEDRP
C[C@H](CCCC[NH3+])NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1	ZINC000418686855	559411168	/nfs/dbraw/zinc/41/11/68/559411168.db2.gz	CSQXAESKWBUVQV-QGZVFWFLSA-N	2	0	357.502	2.293	20	30		FEEDRP
CC(=O)N1CCC[N@H+](C[C@@H]2CCCN(Cc3cccc(C#N)c3)C2)CC1	ZINC000449495529	560231683	/nfs/dbraw/zinc/23/16/83/560231683.db2.gz	HWLSIPCRLISLQU-NRFANRHFSA-N	2	0	354.498	2.324	20	30		FEEDRP
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1	ZINC000457495414	560570594	/nfs/dbraw/zinc/57/05/94/560570594.db2.gz	CHMKGNGQTGAXLF-PMACEKPBSA-N	2	0	372.513	2.081	20	30		FEEDRP
C[C@@H](C(=O)NC1(C#N)CCC1)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000469605149	560959388	/nfs/dbraw/zinc/95/93/88/560959388.db2.gz	PRKUPYYMXUTGSA-PKOBYXMFSA-N	2	0	354.498	2.391	20	30		FEEDRP
CN1CCN(c2cc[nH+]cc2NC(=O)c2ncc(C#N)cc2Cl)CC1	ZINC000578496206	671669272	/nfs/dbraw/zinc/66/92/72/671669272.db2.gz	UBTLIFZMVWDPRO-UHFFFAOYSA-N	2	0	356.817	2.006	20	30		FEEDRP
C[NH+]=C(NCC1([NH+]2CCCC2)CCOCC1)N1CCS[C@H](C(C)C)C1	ZINC000261853703	672904331	/nfs/dbraw/zinc/90/43/31/672904331.db2.gz	YJACMSAKLYXNRG-KRWDZBQOSA-N	2	0	368.591	2.280	20	30		FEEDRP
C[NH+]=C(NCc1nc(C)no1)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1	ZINC000262355291	672913940	/nfs/dbraw/zinc/91/39/40/672913940.db2.gz	HXTZPHMHYVRHDF-XJKSGUPXSA-N	2	0	362.503	2.188	20	30		FEEDRP
C[NH+]=C(NCC1([NH+](C)C)CCCCCC1)N1CCC(C(=O)OC)CC1	ZINC000262579472	672918046	/nfs/dbraw/zinc/91/80/46/672918046.db2.gz	PYTYHFBQDIQDKQ-UHFFFAOYSA-N	2	0	352.523	2.101	20	30		FEEDRP
CC[NH+]=C(NC[C@]1(C)CCCC[C@@H]1O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C	ZINC000262788263	672920938	/nfs/dbraw/zinc/92/09/38/672920938.db2.gz	NEYSNGSKHJEUMV-OQVRHKMJSA-N	2	0	350.551	2.498	20	30		FEEDRP
C[NH+]=C(NCC1(SC)CCOCC1)N1CC[C@@H](C[NH+]2CCCCC2)C1	ZINC000262807963	672921511	/nfs/dbraw/zinc/92/15/11/672921511.db2.gz	STAVSUCAONWEFM-KRWDZBQOSA-N	2	0	368.591	2.282	20	30		FEEDRP
CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H]1CCC[NH+](Cc2cccs2)C1	ZINC000303906361	673019263	/nfs/dbraw/zinc/01/92/63/673019263.db2.gz	ZXJGRDKBFHWBPL-IRXDYDNUSA-N	3	0	363.575	2.349	20	30		FEEDRP
C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)NCC1(C#N)CCCCC1	ZINC000596866417	673420537	/nfs/dbraw/zinc/42/05/37/673420537.db2.gz	UTVMQMZKSFLWSZ-UHFFFAOYSA-N	2	0	351.539	2.375	20	30		FEEDRP
C[C@@H]1[C@H](C(=O)NC2CCC([NH2+]Cc3ccc(C#N)s3)CC2)CC[N@@H+]1C	ZINC001026496208	680344842	/nfs/dbraw/zinc/34/48/42/680344842.db2.gz	QSWJEXBLYPBIDW-SEVFCGSRSA-N	2	0	360.527	2.477	20	30		FEEDRP
CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]([NH+](C)Cc3ccc(C#N)s3)C2)CC[N@@H+]1C	ZINC000971568151	682361940	/nfs/dbraw/zinc/36/19/40/682361940.db2.gz	WHZVYQOBCWBPGL-FHLIZLRMSA-N	2	0	360.527	2.383	20	30		FEEDRP
C=C(Cl)C[C@H]([NH3+])C(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCOCC1	ZINC000876766465	686264193	/nfs/dbraw/zinc/26/41/93/686264193.db2.gz	KSMUZCMMFSLQTH-RDJZCZTQSA-N	2	0	365.905	2.473	20	30		FEEDRP
C=C(Cl)C[C@@H]([NH3+])C(=O)Nc1ccc(CN2CC[NH+](CC)CC2)cc1	ZINC000876780037	686267454	/nfs/dbraw/zinc/26/74/54/686267454.db2.gz	BFIHYOJRLLMRMG-QGZVFWFLSA-N	2	0	350.894	2.233	20	30		FEEDRP
C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1	ZINC000876926211	686295903	/nfs/dbraw/zinc/29/59/03/686295903.db2.gz	MHBLRDOZHRAYFJ-HNNXBMFYSA-N	2	0	365.909	2.053	20	30		FEEDRP
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1C[C@H]2CCCC[N@@H+]2C1	ZINC000080572486	542595338	/nfs/dbraw/zinc/59/53/38/542595338.db2.gz	YRNKDDGTBAJJJL-WOJBJXKFSA-N	2	0	354.498	2.323	20	30		FEEDRP
C#CC[NH+]1CCC(C(=O)N(C)C2CC[NH+](Cc3ccccc3)CC2)CC1	ZINC000113095442	543474222	/nfs/dbraw/zinc/47/42/22/543474222.db2.gz	SBQMUVBSFZDNEC-UHFFFAOYSA-N	2	0	353.510	2.455	20	30		FEEDRP
N#Cc1cc(NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)ccc1[N+](=O)[O-]	ZINC000274244711	329930280	/nfs/dbraw/zinc/93/02/80/329930280.db2.gz	VPCOXUKHANGGIH-UHFFFAOYSA-N	2	0	366.425	2.486	20	30		FEEDRP
CN(C)C(=[NH2+])NCCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1	ZINC000170913737	546182825	/nfs/dbraw/zinc/18/28/25/546182825.db2.gz	VYVRHONXCAIBHK-UHFFFAOYSA-N	2	0	357.424	2.094	20	30		FEEDRP
C=CC[NH+]1CCC(NC(=O)N(CC[NH+](C)C)Cc2cccs2)CC1	ZINC000176500224	546454642	/nfs/dbraw/zinc/45/46/42/546454642.db2.gz	OAEAPTAFKCGQBQ-UHFFFAOYSA-N	2	0	350.532	2.472	20	30		FEEDRP
C=CCNC(=O)[C@H](C)[NH2+][C@@H](C)c1cc(F)ccc1N1CC[NH+](CC)CC1	ZINC000181640538	547350428	/nfs/dbraw/zinc/35/04/28/547350428.db2.gz	BFQRYOQSJYGFEY-HOTGVXAUSA-N	2	0	362.493	2.309	20	30		FEEDRP
C#CC[NH+]1CCC(C(=O)N(CC)[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1	ZINC000186339741	548121778	/nfs/dbraw/zinc/12/17/78/548121778.db2.gz	VHEXHODZQATVDC-OAQYLSRUSA-N	2	0	353.510	2.455	20	30		FEEDRP
N#Cc1ccc(OC[C@H](O)C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1	ZINC000246522797	549151931	/nfs/dbraw/zinc/15/19/31/549151931.db2.gz	IWOAARHBKFMFDJ-QFUCXCTJSA-N	2	0	355.482	2.247	20	30		FEEDRP
C=CC[NH+]1CCC(NC(=O)[C@@](C)([NH3+])c2ccc(Br)cc2)CC1	ZINC000261629411	549736564	/nfs/dbraw/zinc/73/65/64/549736564.db2.gz	BQFLQFBJYDIUQF-KRWDZBQOSA-N	2	0	366.303	2.390	20	30		FEEDRP
CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(NC(=O)NC(C)C)cc1	ZINC000264089067	549978118	/nfs/dbraw/zinc/97/81/18/549978118.db2.gz	KLUYHMIFHQSWIZ-QGZVFWFLSA-N	2	0	360.506	2.105	20	30		FEEDRP
CC[C@H](C)NC(=O)c1cccc(CNC(=[NH2+])NC[C@@H]2CCC[N@@H+]2CC)c1	ZINC000264121774	549981417	/nfs/dbraw/zinc/98/14/17/549981417.db2.gz	VGUBMXZQEPVJDZ-YJBOKZPZSA-N	2	0	359.518	2.104	20	30		FEEDRP
NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CNC(=[NH2+])NC3CCCCC3)c2)C1	ZINC000267393861	550030477	/nfs/dbraw/zinc/03/04/77/550030477.db2.gz	DNNHIMCCWPWMTM-GOSISDBHSA-N	2	0	371.529	2.121	20	30		FEEDRP
CN(CCC#N)C(=O)CC[N@@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1	ZINC000311941171	553755488	/nfs/dbraw/zinc/75/54/88/553755488.db2.gz	HXESVNMWCPVQAC-WOJBJXKFSA-N	2	0	354.498	2.202	20	30		FEEDRP
N#Cc1ccc(NC(=O)CC[NH+]2CCC(CC[NH+]3CCOCC3)CC2)cc1	ZINC000360588870	554881209	/nfs/dbraw/zinc/88/12/09/554881209.db2.gz	UUHJLNREVAACQH-UHFFFAOYSA-N	2	0	370.497	2.321	20	30		FEEDRP
C[C@@H]1C[N@H+](CCCOc2cccc(C#N)c2)CC[C@H]1N1CC[NH+](C)CC1	ZINC000370147557	556793385	/nfs/dbraw/zinc/79/33/85/556793385.db2.gz	DNTHEZAFAVRWQC-WIYYLYMNSA-N	2	0	356.514	2.285	20	30		FEEDRP
C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3cnc(C)s3)C[C@H]2C)CC1	ZINC000370942577	557023692	/nfs/dbraw/zinc/02/36/92/557023692.db2.gz	QRZKFWFTDSDJTI-BEFAXECRSA-N	2	0	374.554	2.123	20	30		FEEDRP
C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[N@@H+](C)[C@@H](c4ccccc4)[C@H]3C2)CC1	ZINC000377819791	558426604	/nfs/dbraw/zinc/42/66/04/558426604.db2.gz	ZLODWUBNBHMARW-ACRUOGEOSA-N	2	0	351.494	2.093	20	30		FEEDRP
C[N@@H+](Cc1ccccc1)CC1CC[NH+](CC(=O)NC2(C#N)CCC2)CC1	ZINC000525886713	562258544	/nfs/dbraw/zinc/25/85/44/562258544.db2.gz	UPXXDCBVYSCOPL-UHFFFAOYSA-N	2	0	354.498	2.393	20	30		FEEDRP
C=CCOc1ccc(C[NH2+]CC2(N3CCOCC3)CC[NH+](C)CC2)cc1	ZINC000414486386	559168023	/nfs/dbraw/zinc/16/80/23/559168023.db2.gz	QPRHAQRYKGWYLS-UHFFFAOYSA-N	2	0	359.514	2.138	20	30		FEEDRP
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NCC[C@H]1CCC[NH2+]C1	ZINC000418352582	559398676	/nfs/dbraw/zinc/39/86/76/559398676.db2.gz	TYYVRUHQBMPWDN-GOSISDBHSA-N	2	0	357.502	2.021	20	30		FEEDRP
CC(C)C[C@@H](C[NH3+])NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1	ZINC000418439030	559401683	/nfs/dbraw/zinc/40/16/83/559401683.db2.gz	JKNTZZWEUAPNQC-IBGZPJMESA-N	2	0	357.502	2.149	20	30		FEEDRP
C[NH+](C)C1CCN(CCNC(=O)N[C@H]2CCCc3cc(C#N)ccc32)CC1	ZINC000419494912	559445025	/nfs/dbraw/zinc/44/50/25/559445025.db2.gz	RFEYZRCPRAQGNB-FQEVSTJZSA-N	2	0	369.513	2.261	20	30		FEEDRP
C=CC[NH+](CC=C)[C@@H](CNC(=O)c1c[nH]nc1[C@H]1CCC[NH2+]C1)C(C)C	ZINC000423323682	559625461	/nfs/dbraw/zinc/62/54/61/559625461.db2.gz	AKVOYMCIRMLFLZ-WMZOPIPTSA-N	2	0	359.518	2.305	20	30		FEEDRP
C=CCC1(C(=O)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)CCOCC1	ZINC000424191368	559657063	/nfs/dbraw/zinc/65/70/63/559657063.db2.gz	HGNQVSSNKAUKQF-UHFFFAOYSA-N	2	0	371.525	2.469	20	30		FEEDRP
Cc1cc(C[NH2+]CCCC[NH+]2CCN(c3ncccn3)CC2)ccc1C#N	ZINC000443976666	560097988	/nfs/dbraw/zinc/09/79/88/560097988.db2.gz	DUHUQIFPJDRPKX-UHFFFAOYSA-N	2	0	364.497	2.349	20	30		FEEDRP
C[NH+]=C(NCC1([NH+]2CCSCC2)CCCCC1)N(C)C[C@H]1CCOC1	ZINC000261688204	672901244	/nfs/dbraw/zinc/90/12/44/672901244.db2.gz	RJMVPFMUFBRRCN-QGZVFWFLSA-N	2	0	368.591	2.282	20	30		FEEDRP
C[NH+]=C(NCC1([NH+]2CCSCC2)CCCCC1)N(C)C[C@@H]1CCOC1	ZINC000261688201	672901362	/nfs/dbraw/zinc/90/13/62/672901362.db2.gz	RJMVPFMUFBRRCN-KRWDZBQOSA-N	2	0	368.591	2.282	20	30		FEEDRP
CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1cc(F)ccc1Br	ZINC000262002065	672907545	/nfs/dbraw/zinc/90/75/45/672907545.db2.gz	QAUZZRYTEPNASY-CYBMUJFWSA-N	2	0	357.271	2.477	20	30		FEEDRP
COC[C@@H](C)NC(=[NH2+])NCC1CC[NH+](Cc2ccccc2Cl)CC1	ZINC000304743101	673020165	/nfs/dbraw/zinc/02/01/65/673020165.db2.gz	CXCHGJVOXMWYGT-CQSZACIVSA-N	2	0	352.910	2.491	20	30		FEEDRP
C=CC[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1	ZINC000661118440	678437272	/nfs/dbraw/zinc/43/72/72/678437272.db2.gz	DVNIZHUBITUDIP-GUDVDZBRSA-N	2	0	351.535	2.184	20	30		FEEDRP
C=C(Br)C[NH2+]C1CC2(CC(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1	ZINC000963829743	682148082	/nfs/dbraw/zinc/14/80/82/682148082.db2.gz	DSHPTAFWHQKZJJ-KBMGIXFMSA-N	2	0	370.335	2.252	20	30		FEEDRP
C=CC[NH+]1CCC(NC(=O)[C@@H]([NH3+])c2ccc(Br)cc2)CC1	ZINC000884214311	687820562	/nfs/dbraw/zinc/82/05/62/687820562.db2.gz	YVQBSFXFBACBLK-HNNXBMFYSA-N	2	0	352.276	2.216	20	30		FEEDRP
CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCC#Cc1ccccc1	ZINC000073571514	541968417	/nfs/dbraw/zinc/96/84/17/541968417.db2.gz	ZJKUIFCEDZZZEL-FQEVSTJZSA-N	2	0	356.514	2.096	20	30		FEEDRP
COc1ccc(CNC(=[NH2+])NC[C@@H]2CCC[N@H+](CC(C)C)C2)cc1OC	ZINC000157388700	545736081	/nfs/dbraw/zinc/73/60/81/545736081.db2.gz	AZDJMVPGIQFFCF-KRWDZBQOSA-N	2	0	362.518	2.476	20	30		FEEDRP
Cn1cc(C[NH2+]C2CCN(CC[NH+](C)C)CC2)c(-c2ccc(C#N)cc2)n1	ZINC000180048204	547043134	/nfs/dbraw/zinc/04/31/34/547043134.db2.gz	KBEKKJUQKMTCMH-UHFFFAOYSA-N	2	0	366.513	2.074	20	30		FEEDRP
C[C@H]1CCC[C@@H]([NH+]2CCC([NH2+]CCNC(=O)C3N=CC=CC3=O)CC2)C1	ZINC000180882669	547201356	/nfs/dbraw/zinc/20/13/56/547201356.db2.gz	LVXJUWBHHFKYET-LPYRORPOSA-N	2	0	360.502	2.146	20	30		FEEDRP
C[NH+]=C(NCC1([NH+]2CCCC2)CCOCC1)N[C@H]1CCOc2ccccc21	ZINC000262826284	549853442	/nfs/dbraw/zinc/85/34/42/549853442.db2.gz	ZSOIDDIASRAIGZ-SFHVURJKSA-N	2	0	372.513	2.320	20	30		FEEDRP
CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc(NC(=O)c2ccco2)cc1	ZINC000264113970	549980485	/nfs/dbraw/zinc/98/04/85/549980485.db2.gz	PMEOVPVWKZAMIH-KRWDZBQOSA-N	2	0	369.469	2.421	20	30		FEEDRP
CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Cc1ccc(OCC#N)cc1	ZINC000264713201	550000379	/nfs/dbraw/zinc/00/03/79/550000379.db2.gz	WHNSZSBEYMCCMY-LJQANCHMSA-N	2	0	372.513	2.006	20	30		FEEDRP
C[NH+](C)C1CCN(CCNC(=[NH2+])Nc2ccc(OC(F)(F)F)cc2)CC1	ZINC000267287303	550029575	/nfs/dbraw/zinc/02/95/75/550029575.db2.gz	HVNBMRCVQIBWGE-UHFFFAOYSA-N	2	0	373.423	2.338	20	30		FEEDRP
C[C@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)C1=CC[N@H+](C)CC1	ZINC000272968072	550478698	/nfs/dbraw/zinc/47/86/98/550478698.db2.gz	ODLJTCKZKIZEKS-KRWDZBQOSA-N	2	0	369.513	2.282	20	30		FEEDRP
C[N@@H+]1CCN(CC[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)CC1(C)C	ZINC000287575487	552021000	/nfs/dbraw/zinc/02/10/00/552021000.db2.gz	QSROGDSZDQBKTP-UHFFFAOYSA-N	2	0	355.530	2.143	20	30		FEEDRP
C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+](C)CCCN(C)CC[NH+](C)C	ZINC000289369044	552308921	/nfs/dbraw/zinc/30/89/21/552308921.db2.gz	IDSFLMCLWVMYCI-IBGZPJMESA-N	2	0	373.545	2.137	20	30		FEEDRP
N#Cc1ccc(OC[C@@H](O)C[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1	ZINC000312626595	553756453	/nfs/dbraw/zinc/75/64/53/553756453.db2.gz	IDVSWESSAIDIGI-SFTDATJTSA-N	2	0	365.477	2.410	20	30		FEEDRP
CC[N@@H+]1C[C@H](C)N(C(=O)NC2CC[NH+](Cc3ccncc3)CC2)C[C@H]1C	ZINC000328936593	553848343	/nfs/dbraw/zinc/84/83/43/553848343.db2.gz	CQRSBSJTRSPHKR-SJORKVTESA-N	2	0	359.518	2.375	20	30		FEEDRP
C[N@@H+]1CC[C@@H]2CCN(C(=O)NCc3ccc(Cn4ccnc4)cc3)[C@@H]2C1	ZINC000329279622	553916504	/nfs/dbraw/zinc/91/65/04/553916504.db2.gz	LTKDYSAFKHUAEH-RTBURBONSA-N	2	0	353.470	2.371	20	30		FEEDRP
C(#CC[N@@H+]1CC[C@@H](C2CCOCC2)C1)C[NH+]1CC[C@@H](C2CCOCC2)C1	ZINC000367060605	556000911	/nfs/dbraw/zinc/00/09/11/556000911.db2.gz	CSSRRAVWRWAWQS-FGZHOGPDSA-N	2	0	360.542	2.487	20	30		FEEDRP
C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@H]1[NH2+]CCC(=O)Nc1ccc(C#N)cc1	ZINC000368417477	556302896	/nfs/dbraw/zinc/30/28/96/556302896.db2.gz	SHMGIPAJOXIXEV-NSISKUIASA-N	2	0	370.497	2.366	20	30		FEEDRP
C[N@H+](CCCOc1cccc(C#N)c1)[C@H]1CCN(C2CC[NH+](C)CC2)C1	ZINC000373219731	557652347	/nfs/dbraw/zinc/65/23/47/557652347.db2.gz	VOTRJQCQUXSZEG-FQEVSTJZSA-N	2	0	356.514	2.427	20	30		FEEDRP
C=CC[NH+]1CCC(NC(=O)NC[C@H]2CCC[N@H+](Cc3cccnc3)C2)CC1	ZINC000376223999	558144069	/nfs/dbraw/zinc/14/40/69/558144069.db2.gz	DKMHCZSEIRRKJD-LJQANCHMSA-N	2	0	371.529	2.243	20	30		FEEDRP
C[NH+](C)CCOc1cnccc1C[NH2+][C@@H]1CCC[C@@H]2O[C@@H](CC#N)C[C@H]21	ZINC000377559967	558364463	/nfs/dbraw/zinc/36/44/63/558364463.db2.gz	FEYKHTZFKYVWHC-OKYOBFRVSA-N	2	0	358.486	2.351	20	30		FEEDRP
N#Cc1ccc(C[N@H+]2CCCN(C(=O)N[C@@H](C[NH3+])C3CCCC3)CC2)cc1	ZINC000418612976	559407844	/nfs/dbraw/zinc/40/78/44/559407844.db2.gz	FIRIMJZCRLURNG-FQEVSTJZSA-N	2	0	369.513	2.293	20	30		FEEDRP
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NC[C@H]1CC[C@H](C[NH3+])CC1	ZINC000418663350	559410360	/nfs/dbraw/zinc/41/03/60/559410360.db2.gz	GJHMKQYEGHKIAY-UAPYVXQJSA-N	2	0	371.529	2.397	20	30		FEEDRP
C(#CC[N@@H+]1CCOC[C@@H](C2CCC2)C1)C[NH+]1CCOC[C@@H](C2CCC2)C1	ZINC000429028240	559789207	/nfs/dbraw/zinc/78/92/07/559789207.db2.gz	MAUFHYXMWGEYMN-VXKWHMMOSA-N	2	0	360.542	2.487	20	30		FEEDRP
C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH+]1CCC(OCCC[NH3+])CC1	ZINC000430556871	559822372	/nfs/dbraw/zinc/82/23/72/559822372.db2.gz	RJBZBXNPMQGPNE-MRXNPFEDSA-N	2	0	365.543	2.481	20	30		FEEDRP
C=C[C@@H]1OCC[C@H]1[NH2+][C@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1	ZINC000451604331	560317034	/nfs/dbraw/zinc/31/70/34/560317034.db2.gz	GTBKWRNFKAKYPI-AHRSYUTCSA-N	2	0	357.498	2.089	20	30		FEEDRP
C=CCOc1ccc(C[N@@H+]2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)cc1	ZINC000469866535	560967425	/nfs/dbraw/zinc/96/74/25/560967425.db2.gz	ZDOSTCSPVXRLPU-QUCCMNQESA-N	2	0	357.498	2.332	20	30		FEEDRP
C[NH+]=C(NCC1([NH+]2CCCC2)CCOCC1)N[C@@H]1CCC[C@H](SC)C1	ZINC000086538038	670684784	/nfs/dbraw/zinc/68/47/84/670684784.db2.gz	UJTWVIMNJUYSCU-SJORKVTESA-N	2	0	368.591	2.471	20	30		FEEDRP
CC[NH+]=C(NC[C@]1(O)CCSC1)NC1CC[NH+](C2CCCCC2)CC1	ZINC000262409788	672915292	/nfs/dbraw/zinc/91/52/92/672915292.db2.gz	PDFFRFQCNWUCPM-LJQANCHMSA-N	2	0	368.591	2.207	20	30		FEEDRP
COc1ccc(NC(=[NH2+])NCCN2CCC([NH+](C)C)CC2)cc1Cl	ZINC000304694540	673020211	/nfs/dbraw/zinc/02/02/11/673020211.db2.gz	HZRCBXOKZKTGQC-UHFFFAOYSA-N	2	0	353.898	2.101	20	30		FEEDRP
N#Cc1cccc(S(=O)(=O)CC[NH2+]CC2CC[NH+](CC3CC3)CC2)c1	ZINC000596067637	673355459	/nfs/dbraw/zinc/35/54/59/673355459.db2.gz	OYXPNEQFERFSCU-UHFFFAOYSA-N	2	0	361.511	2.044	20	30		FEEDRP
N#Cc1ccc(S(=O)(=O)CC[NH2+]CC2CC[NH+](CC3CC3)CC2)cc1	ZINC000596067656	673355600	/nfs/dbraw/zinc/35/56/00/673355600.db2.gz	PNAAEQAQHTYBOE-UHFFFAOYSA-N	2	0	361.511	2.044	20	30		FEEDRP
C=C(Cl)C[NH2+]C1CCN(C(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)CC1	ZINC000996591808	680335854	/nfs/dbraw/zinc/33/58/54/680335854.db2.gz	APSBTNKNGCDHAX-MSOLQXFVSA-N	2	0	369.937	2.066	20	30		FEEDRP
C=C(Cl)C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1	ZINC000999196098	680398639	/nfs/dbraw/zinc/39/86/39/680398639.db2.gz	WHTFYCSSAMGTLI-KURKYZTESA-N	2	0	369.937	2.066	20	30		FEEDRP
C=C(Br)C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1	ZINC001034647766	680436526	/nfs/dbraw/zinc/43/65/26/680436526.db2.gz	OUQKHGMQZPYYNG-KBUPBQIOSA-N	2	0	358.324	2.252	20	30		FEEDRP
C[NH+](C)CCOc1cc(CNC(=[NH2+])Nc2ccc3c(c2)CCC3)ccn1	ZINC000134551352	544312696	/nfs/dbraw/zinc/31/26/96/544312696.db2.gz	AWZDDZXIAUXVCO-UHFFFAOYSA-N	2	0	353.470	2.438	20	30		FEEDRP
C[NH+](C)[C@H]1CCCN(c2ccc(C#N)c(N3CCC[C@H]([NH+](C)C)C3)n2)C1	ZINC000276490712	330157401	/nfs/dbraw/zinc/15/74/01/330157401.db2.gz	PSIWVTJROOADCM-ROUUACIJSA-N	2	0	356.518	2.014	20	30		FEEDRP
C#CC[NH+]1CCC(C(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)CC1	ZINC000175027884	546305693	/nfs/dbraw/zinc/30/56/93/546305693.db2.gz	UBBWGZXWTZAORT-UHFFFAOYSA-N	2	0	353.510	2.455	20	30		FEEDRP
C#CC[NH+]1CCC(C(=O)Nc2cccc(N3CC[NH+](CC)CC3)c2)CC1	ZINC000184286120	547800256	/nfs/dbraw/zinc/80/02/56/547800256.db2.gz	HLXJHSBTYIWJNI-UHFFFAOYSA-N	2	0	354.498	2.112	20	30		FEEDRP
C=CC[NH+]1CCC(NC(=O)N[C@H]2CC[N@@H+](CCCOCC)C[C@@H]2C)CC1	ZINC000247302774	549314488	/nfs/dbraw/zinc/31/44/88/549314488.db2.gz	VCKNWDFDYSHDAV-HKUYNNGSSA-N	2	0	366.550	2.073	20	30		FEEDRP
CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCc1coc(-c2ccc(F)cc2)n1	ZINC000264330161	549994495	/nfs/dbraw/zinc/99/44/95/549994495.db2.gz	ZYORGYQSHUEVPF-KRWDZBQOSA-N	2	0	359.449	2.412	20	30		FEEDRP
C#CC[NH+]1CCC(C(=O)N[C@@H](C[NH+]2CCCC2)c2ccc(OC)cc2)CC1	ZINC000272693632	550465453	/nfs/dbraw/zinc/46/54/53/550465453.db2.gz	UVQVEGFVQQSLPW-NRFANRHFSA-N	2	0	369.509	2.294	20	30		FEEDRP
C=CCS(=O)(=O)CC[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@H]21	ZINC000272793761	550471023	/nfs/dbraw/zinc/47/10/23/550471023.db2.gz	ABMUAAUJZAWETO-VAMGGRTRSA-N	2	0	362.539	2.478	20	30		FEEDRP
C=CC[NH+]1CCC(NC(=O)NCC[N@@H+](CC)CCC(F)(F)F)CC1	ZINC000494963406	561480031	/nfs/dbraw/zinc/48/00/31/561480031.db2.gz	IHCBGUUMTHWLRD-UHFFFAOYSA-N	2	0	350.429	2.210	20	30		FEEDRP
CC(C)[C@](C)(C#N)NC(=O)CN1CCC[C@@H](c2ncc3n2CCCC3)C1	ZINC000282048490	551173723	/nfs/dbraw/zinc/17/37/23/551173723.db2.gz	LWOKYWQXINSTFN-UZLBHIALSA-N	2	0	357.502	2.453	20	30		FEEDRP
C[N@@H+]1CCCN(C(=O)[C@H](Cc2c[nH]cn2)NC(=O)C2CCCCC2)CC1	ZINC000328783436	553821821	/nfs/dbraw/zinc/82/18/21/553821821.db2.gz	NNIUMTCBMHRHKY-KRWDZBQOSA-N	2	0	361.490	2.022	20	30		FEEDRP
C[C@@H]1C[C@H](NC(=O)N2CCCN(Cc3cscn3)CC2)CC[N@@H+]1C	ZINC000329799745	554007852	/nfs/dbraw/zinc/00/78/52/554007852.db2.gz	HSRRNLKMXYGQII-HUUCEWRRSA-N	2	0	351.520	2.048	20	30		FEEDRP
CN(CC(=O)N(CCC#N)CCC#N)C[C@@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000363322541	555078213	/nfs/dbraw/zinc/07/82/13/555078213.db2.gz	IPFWDDAWEKJRIC-FQEVSTJZSA-N	2	0	367.497	2.096	20	30		FEEDRP
C(#CC[NH+]1CCC([C@H]2CCOC2)CC1)C[NH+]1CCC([C@H]2CCOC2)CC1	ZINC000367464827	556056971	/nfs/dbraw/zinc/05/69/71/556056971.db2.gz	VUVYMBITEYHDHD-VXKWHMMOSA-N	2	0	360.542	2.487	20	30		FEEDRP
C#CC[NH+]1CCC(C(=O)NC[C@H]2CCC[N@@H+]2CCc2ccccc2)CC1	ZINC000370197008	556808265	/nfs/dbraw/zinc/80/82/65/556808265.db2.gz	HOMTUZOSTPOFSS-OAQYLSRUSA-N	2	0	353.510	2.155	20	30		FEEDRP
C[N@H+](C[C@H]1CC12CC[NH+](CC(=O)NCc1ccc(C#N)cc1)CC2)C1CC1	ZINC000374298322	557861052	/nfs/dbraw/zinc/86/10/52/557861052.db2.gz	VSGCWGIOGMAKOC-LJQANCHMSA-N	2	0	366.509	2.371	20	30		FEEDRP
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1	ZINC000418656353	559410006	/nfs/dbraw/zinc/41/00/06/559410006.db2.gz	FQROJVIEHIXSHZ-VQTJNVASSA-N	2	0	369.513	2.020	20	30		FEEDRP
C=CC[NH+](CC=C)[C@H](CNC(=O)c1cnn([C@H]2CCC[NH2+]C2)c1)C(C)C	ZINC000423351374	559626349	/nfs/dbraw/zinc/62/63/49/559626349.db2.gz	YZHZHVHKBNQOKK-RBUKOAKNSA-N	2	0	359.518	2.236	20	30		FEEDRP
CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)[C@@H]([NH3+])CCCC#N	ZINC000424132691	559655738	/nfs/dbraw/zinc/65/57/38/559655738.db2.gz	IIQIVZURFQARPU-HNNXBMFYSA-N	2	0	356.474	2.338	20	30		FEEDRP
C[NH+](C)CC(C)(C)CNc1ccc(C#N)c(NCC(C)(C)C[NH+](C)C)n1	ZINC000436261287	559938830	/nfs/dbraw/zinc/93/88/30/559938830.db2.gz	JQCFDWRREAJGRJ-UHFFFAOYSA-N	2	0	360.550	2.953	20	30		FEEDRP
C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)NCC1CCC(C#N)CC1	ZINC000442723979	560055038	/nfs/dbraw/zinc/05/50/38/560055038.db2.gz	UEGQSNZTYWNRGY-UHFFFAOYSA-N	2	0	351.539	2.231	20	30		FEEDRP
[NH2+]=C(NCc1ccc(OC(F)(F)F)cc1)NC[C@@H]1CC[N@@H+](C2CC2)C1	ZINC000176967025	672378268	/nfs/dbraw/zinc/37/82/68/672378268.db2.gz	LBTOUNOHXOYWSX-ZDUSSCGKSA-N	2	0	356.392	2.474	20	30		FEEDRP
CC[NH+]1CCN([C@H](C)CNC(=[NH2+])Nc2ccc(OC)c(Cl)c2)CC1	ZINC000303893035	673018570	/nfs/dbraw/zinc/01/85/70/673018570.db2.gz	OAQGFSDFKJTKKY-CYBMUJFWSA-N	2	0	353.898	2.101	20	30		FEEDRP
CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCC(=O)Nc1cccc(Cl)c1C	ZINC000303987294	673019631	/nfs/dbraw/zinc/01/96/31/673019631.db2.gz	VHFSLPOJCZKBNM-AWEZNQCLSA-N	2	0	365.909	2.366	20	30		FEEDRP
N#CCCCC[C@@H]([NH3+])C(=O)NCC1([NH+]2CCSCC2)CCCCC1	ZINC000594435890	673071993	/nfs/dbraw/zinc/07/19/93/673071993.db2.gz	AQLSMFQCYFJJBU-MRXNPFEDSA-N	2	0	352.548	2.266	20	30		FEEDRP
C=CC[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1	ZINC000661118437	678437310	/nfs/dbraw/zinc/43/73/10/678437310.db2.gz	DVNIZHUBITUDIP-CEXWTWQISA-N	2	0	351.535	2.184	20	30		FEEDRP
C[C@@H]1[C@H](C(=O)N[C@@H]2CCC[NH+](Cc3ccc(C#N)s3)CC2)CC[N@@H+]1C	ZINC001052393811	681076736	/nfs/dbraw/zinc/07/67/36/681076736.db2.gz	RDWCMBQQDUEVHG-IIDMSEBBSA-N	2	0	360.527	2.431	20	30		FEEDRP
C=C(C)CONC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1	ZINC000845601531	681140553	/nfs/dbraw/zinc/14/05/53/681140553.db2.gz	QLSVQZJCLZZKTL-ZWKOTPCHSA-N	2	0	352.523	2.473	20	30		FEEDRP
CC(C)[NH+]1CCC(CC[NH2+]CCS(=O)(=O)c2cccc(C#N)c2)CC1	ZINC000872223430	684928936	/nfs/dbraw/zinc/92/89/36/684928936.db2.gz	RQXRALUHAYLWJC-UHFFFAOYSA-N	2	0	363.527	2.432	20	30		FEEDRP
C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@H](c1ccc(OC)cc1)[NH+]1CCCC1	ZINC000876711087	686249799	/nfs/dbraw/zinc/24/97/99/686249799.db2.gz	TUMIEXHTUPZCMD-IAGOWNOFSA-N	2	0	351.878	2.418	20	30		FEEDRP
C=C(Cl)C[C@H]([NH3+])C(=O)NC1CC[NH+](CCOc2ccc(F)cc2)CC1	ZINC000876768453	686264478	/nfs/dbraw/zinc/26/44/78/686264478.db2.gz	ITTFPTMPONSYAO-KRWDZBQOSA-N	2	0	369.868	2.255	20	30		FEEDRP
C=CC[NH+]1CCC(NC(=O)[C@H]([NH3+])c2ccc(Br)cc2)CC1	ZINC000884214312	687820764	/nfs/dbraw/zinc/82/07/64/687820764.db2.gz	YVQBSFXFBACBLK-OAHLLOKOSA-N	2	0	352.276	2.216	20	30		FEEDRP
C[NH+](C)C[C@H](NC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N)c1ccc(Cl)cc1	ZINC000884312766	687844543	/nfs/dbraw/zinc/84/45/43/687844543.db2.gz	NJAVZDFTDVPELF-QZDWLRDRSA-N	2	0	360.889	2.198	20	30		FEEDRP
CC1([NH+]2CCC2)CCC([NH2+]CCS(=O)(=O)c2cccc(C#N)c2)CC1	ZINC000905600241	691149478	/nfs/dbraw/zinc/14/94/78/691149478.db2.gz	IOPOPKAPVADXQA-UHFFFAOYSA-N	2	0	361.511	2.329	20	30		FEEDRP
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@H]1C[C@@H]2CCCC[N@@H+]2C1	ZINC000080572482	542595243	/nfs/dbraw/zinc/59/52/43/542595243.db2.gz	YRNKDDGTBAJJJL-PMACEKPBSA-N	2	0	354.498	2.323	20	30		FEEDRP
C[NH+](C)[C@@H]1CCCN(c2nc(N3CCC[C@H]([NH+](C)C)C3)ccc2C#N)C1	ZINC000276490716	330157392	/nfs/dbraw/zinc/15/73/92/330157392.db2.gz	PSIWVTJROOADCM-ZWKOTPCHSA-N	2	0	356.518	2.014	20	30		FEEDRP
C[NH+](C)C1(CNC(=[NH2+])Nc2ccccc2OC(F)(F)F)CCOCC1	ZINC000160730967	546067094	/nfs/dbraw/zinc/06/70/94/546067094.db2.gz	WVODMMJWYJTVII-UHFFFAOYSA-N	2	0	360.380	2.423	20	30		FEEDRP
C=CC[NH+]1CCC(NC(=O)NCc2cccc(OCC[NH+](C)C)c2)CC1	ZINC000171709587	546219916	/nfs/dbraw/zinc/21/99/16/546219916.db2.gz	CSHJFBGNVGNGCU-UHFFFAOYSA-N	2	0	360.502	2.077	20	30		FEEDRP
C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCC(OCC[NH+]2CCCC2)CC1	ZINC000173946635	546289369	/nfs/dbraw/zinc/28/93/69/546289369.db2.gz	GXQATEHINSFGAH-SFHVURJKSA-N	2	0	351.535	2.376	20	30		FEEDRP
C=CCN(CC=C)C(=O)C[NH+]1CCC(CC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1	ZINC000177506406	546632473	/nfs/dbraw/zinc/63/24/73/546632473.db2.gz	GKOXQIRTWJXSHA-OALUTQOASA-N	2	0	363.546	2.398	20	30		FEEDRP
C=CC[NH+]1CCC(NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)CC1	ZINC000246814262	549219967	/nfs/dbraw/zinc/21/99/67/549219967.db2.gz	BQHRZZPTDXAIGO-YLJYHZDGSA-N	2	0	371.529	2.242	20	30		FEEDRP
C=CCOc1ccc(C[N@@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])cc1OC	ZINC000261982898	549777112	/nfs/dbraw/zinc/77/71/12/549777112.db2.gz	JKRAPBBEKGGXIT-QGZVFWFLSA-N	2	0	361.486	2.080	20	30		FEEDRP
C[NH+]=C(N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C)NC1CC[NH+](Cc2ccccn2)CC1	ZINC000262389645	549816071	/nfs/dbraw/zinc/81/60/71/549816071.db2.gz	LYKFUTNQJYBULR-IPMKNSEASA-N	2	0	371.529	2.025	20	30		FEEDRP
CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1cccc(NC(=O)C2CCC2)c1	ZINC000264112133	549980539	/nfs/dbraw/zinc/98/05/39/549980539.db2.gz	PEBGBXNVOGOGIK-SFHVURJKSA-N	2	0	357.502	2.314	20	30		FEEDRP
CN(C)C(=[NH+]Cc1cccc(OCC[N@H+](C)C2CCOCC2)c1)N(C)C	ZINC000264275583	549993803	/nfs/dbraw/zinc/99/38/03/549993803.db2.gz	MTFRGIQNRVRUJS-UHFFFAOYSA-N	2	0	362.518	2.155	20	30		FEEDRP
COc1ccc(C[NH2+]C[C@@H](C)CN2CC[NH+](C)CC2)cc1OCCCC#N	ZINC000264382689	549995528	/nfs/dbraw/zinc/99/55/28/549995528.db2.gz	PMGPMTVPDBTHRF-GOSISDBHSA-N	2	0	374.529	2.351	20	30		FEEDRP
CN(C(=[NH2+])NCc1cccc(OCC[N@H+](C)C2CCOCC2)c1)C1CC1	ZINC000273327819	550494762	/nfs/dbraw/zinc/49/47/62/550494762.db2.gz	INPXCEWXSWKALZ-UHFFFAOYSA-N	2	0	360.502	2.085	20	30		FEEDRP
CN(CCC#N)c1ccc(C[NH+]2CCC(C[NH+]3CCN(C)CC3)CC2)cc1	ZINC000289408176	552316226	/nfs/dbraw/zinc/31/62/26/552316226.db2.gz	HMVYXDWUEXJEDK-UHFFFAOYSA-N	2	0	369.557	2.496	20	30		FEEDRP
C=CC[NH+](CC=C)[C@@H](CNC(=O)NC1CC[NH+](CCOC)CC1)C(C)C	ZINC000299256344	553537893	/nfs/dbraw/zinc/53/78/93/553537893.db2.gz	RUYDMMHPPXPYOG-IBGZPJMESA-N	2	0	366.550	2.095	20	30		FEEDRP
C[C@H](c1ccccc1)[NH+]1CC[C@@H](NC(=O)N2CC[N@@H+](C[C@H](C)O)[C@@H](C)C2)C1	ZINC000329781432	554004971	/nfs/dbraw/zinc/00/49/71/554004971.db2.gz	NHCWJBCNCLOQHZ-PNYFIKQUSA-N	2	0	374.529	2.123	20	30		FEEDRP
CC[N@@H+]1CCC[C@H](NC(=O)N(C)C[C@@H]2CC[NH+](C)[C@H]2c2cccnc2)C1	ZINC000330324180	554105369	/nfs/dbraw/zinc/10/53/69/554105369.db2.gz	IGEYYWCDNQHDNG-FHWLQOOXSA-N	2	0	359.518	2.405	20	30		FEEDRP
CC(C)[NH+]1CCN([C@H]2CC[N@H+](CCCOc3cccc(C#N)c3)C2)CC1	ZINC000363853017	555199562	/nfs/dbraw/zinc/19/95/62/555199562.db2.gz	PFQZUFUXZFRROS-FQEVSTJZSA-N	2	0	356.514	2.427	20	30		FEEDRP
CCCC[C@@H](ON=C(C)C)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1	ZINC000363870691	555203235	/nfs/dbraw/zinc/20/32/35/555203235.db2.gz	WYDBHHZLGWEEMZ-FUHWJXTLSA-N	2	0	352.523	2.242	20	30		FEEDRP
COc1ccc([C@@H](CCC#N)[NH2+][C@@H]2CCN(CCN3CCOCC3)C2)cc1	ZINC000365732734	555653835	/nfs/dbraw/zinc/65/38/35/555653835.db2.gz	GDRWUBMPRJWEIG-TZIWHRDSSA-N	2	0	372.513	2.036	20	30		FEEDRP
C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1	ZINC000412137754	559016473	/nfs/dbraw/zinc/01/64/73/559016473.db2.gz	WXOBJLOCYDIHHZ-VQTJNVASSA-N	2	0	356.514	2.394	20	30		FEEDRP
C=CCc1cc(C[NH2+]C[C@@H](N2CC[NH2+]CC2)C(F)(F)F)cc(OC)c1O	ZINC000414973589	559198088	/nfs/dbraw/zinc/19/80/88/559198088.db2.gz	KOMKGBSEBARVHR-MRXNPFEDSA-N	2	0	373.419	2.055	20	30		FEEDRP
C[NH+]=C(NCC1(SC)CCOCC1)NC1CC[NH+](C2CCCC2)CC1	ZINC000086714920	670684557	/nfs/dbraw/zinc/68/45/57/670684557.db2.gz	RDWSNNVIZFVWPR-UHFFFAOYSA-N	2	0	368.591	2.471	20	30		FEEDRP
C[NH+]=C(NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1)N1CC[C@@]2(CCOC2)C1	ZINC000261930808	672905480	/nfs/dbraw/zinc/90/54/80/672905480.db2.gz	BHXNOUGMELSVOF-FUHIMQAGSA-N	2	0	350.551	2.431	20	30		FEEDRP
C[NH+]=C(NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1)N1CCC(O)CC1	ZINC000262355634	672913838	/nfs/dbraw/zinc/91/38/38/672913838.db2.gz	FUOZMBQOZYQJEM-WMLDXEAASA-N	2	0	350.532	2.163	20	30		FEEDRP
CC[NH+]=C(N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)NC1CC[NH+](CC(C)C)CC1	ZINC000262409774	672915153	/nfs/dbraw/zinc/91/51/53/672915153.db2.gz	PDCAHSIZALQRKT-KSZLIROESA-N	2	0	350.551	2.475	20	30		FEEDRP
C=C(Br)C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1	ZINC000999207203	680398926	/nfs/dbraw/zinc/39/89/26/680398926.db2.gz	KQIOOLYIWPYVIW-QLFBSQMISA-N	2	0	358.324	2.206	20	30		FEEDRP
[NH3+]CCOCC[NH+]1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F	ZINC000923532090	684299897	/nfs/dbraw/zinc/29/98/97/684299897.db2.gz	ZJVARFRIWRWPKX-YUMQZZPRSA-N	2	0	356.257	2.065	20	30		FEEDRP
C=C(Cl)C[C@@H]([NH3+])C(=O)Nc1cccc(C(=O)OC[C@H]2CCC[NH2+]2)c1	ZINC000876520453	686214181	/nfs/dbraw/zinc/21/41/81/686214181.db2.gz	LQCIUVXZJRWCQR-HUUCEWRRSA-N	2	0	351.834	2.004	20	30		FEEDRP
C=C(Cl)C[C@H]([NH3+])C(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1	ZINC000876765842	686263744	/nfs/dbraw/zinc/26/37/44/686263744.db2.gz	YZBNMHWSRXNYKT-KRWDZBQOSA-N	2	0	351.878	2.247	20	30		FEEDRP
CC[NH+]1CCN(c2ccc(C(=O)N(CCC#N)CCC[NH+](C)C)cc2)CC1	ZINC000073079035	541916296	/nfs/dbraw/zinc/91/62/96/541916296.db2.gz	XHMBSUCIEFCWCQ-UHFFFAOYSA-N	2	0	371.529	2.136	20	30		FEEDRP
C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)[C@@H]1C[C@H]2CCCC[N@@H+]2C1	ZINC000081613817	542668450	/nfs/dbraw/zinc/66/84/50/542668450.db2.gz	QURVZBMYMAIAER-WOJBJXKFSA-N	2	0	354.498	2.323	20	30		FEEDRP
CC[NH+]1CCN([C@H]2CC[N@H+](Cc3ccc(N(C)CCC#N)cc3)C2)CC1	ZINC000093133173	542911283	/nfs/dbraw/zinc/91/12/83/542911283.db2.gz	GZBLVIURDMLAQO-NRFANRHFSA-N	2	0	355.530	2.248	20	30		FEEDRP
C=CC[NH+]1CCC(NC(=O)CCC[NH+]2CCN(c3ccccc3)CC2)CC1	ZINC000171871077	546228360	/nfs/dbraw/zinc/22/83/60/546228360.db2.gz	KYQWYLPRHAFIDH-UHFFFAOYSA-N	2	0	370.541	2.355	20	30		FEEDRP
CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCC1(c2ccc(OC)cc2)CCOCC1	ZINC000264104408	549979601	/nfs/dbraw/zinc/97/96/01/549979601.db2.gz	PBZZJZVZPBXMOZ-SFHVURJKSA-N	2	0	374.529	2.132	20	30		FEEDRP
CC(C)[C@@](C)(C#N)NC(=O)CN1CCC[C@H](c2ncc3n2CCCC3)C1	ZINC000282048485	551173622	/nfs/dbraw/zinc/17/36/22/551173622.db2.gz	LWOKYWQXINSTFN-OXJNMPFZSA-N	2	0	357.502	2.453	20	30		FEEDRP
CN1CC[C@H]([NH+]2CCC(NC(=O)[C@@H]3CCC[N@@H+]3C3CCCC3)CC2)C1=O	ZINC000329200695	553901132	/nfs/dbraw/zinc/90/11/32/553901132.db2.gz	WJFBPCDLNGUUES-ROUUACIJSA-N	2	0	362.518	2.045	20	30		FEEDRP
Cc1cc(N2CCC(NC(=O)N[C@@H]3CC[N@H+](C)[C@@H](C)C3)CC2)nc(C)n1	ZINC000330199625	554083736	/nfs/dbraw/zinc/08/37/36/554083736.db2.gz	VREHNNFISZFDOM-WMLDXEAASA-N	2	0	360.506	2.049	20	30		FEEDRP
CCC[NH+]1CCC(N2CCN(c3nc4c(cc3C#N)CCC4)CC2)CC1	ZINC000362701623	554981443	/nfs/dbraw/zinc/98/14/43/554981443.db2.gz	IGDNHYMUENSCFF-UHFFFAOYSA-N	2	0	353.514	2.438	20	30		FEEDRP
C[N@H+](CCC(=O)Nc1ccc(C#N)cc1)C1CC[NH+](C2CCOCC2)CC1	ZINC000363452844	555109190	/nfs/dbraw/zinc/10/91/90/555109190.db2.gz	MSSNFAIWBYQDCP-UHFFFAOYSA-N	2	0	370.497	2.462	20	30		FEEDRP
C[C@H](C#N)Oc1ccc(C[N@@H+]2CCC[C@H](CN3CC[NH+](C)CC3)C2)cc1	ZINC000368050183	556204695	/nfs/dbraw/zinc/20/46/95/556204695.db2.gz	DEHNLCVKKYLXGG-UYAOXDASSA-N	2	0	356.514	2.437	20	30		FEEDRP
C=CCN(C(=O)NCCn1ccnc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000368925032	556449800	/nfs/dbraw/zinc/44/98/00/556449800.db2.gz	PPYQCUZJPVHCPK-LJQANCHMSA-N	2	0	353.470	2.355	20	30		FEEDRP
Cc1cccc(NC[C@H]2CCCN2CC(=O)NCc2cccc(C#N)c2)n1	ZINC000369900654	556725107	/nfs/dbraw/zinc/72/51/07/556725107.db2.gz	PNOIOLYIZZPGKE-LJQANCHMSA-N	2	0	363.465	2.454	20	30		FEEDRP
C(#CCN1CCC[C@@H]([NH+]2CCCC2)C1)CN1CCC[C@@H]([NH+]2CCCC2)C1	ZINC000370469031	556881647	/nfs/dbraw/zinc/88/16/47/556881647.db2.gz	LMJHIEBHJFBRFX-FGZHOGPDSA-N	2	0	358.574	2.110	20	30		FEEDRP
C[N@@H+](CC(=O)N[C@](C)(C#N)C1CC1)CC1CCN(c2cc[nH+]cc2)CC1	ZINC000374778987	557930056	/nfs/dbraw/zinc/93/00/56/557930056.db2.gz	KBPOVMDUFNXWCE-HXUWFJFHSA-N	2	0	355.486	2.038	20	30		FEEDRP
C[C@@H]1[C@H](Nc2ccc(C#N)c(N[C@H]3CCC[NH+](C)[C@@H]3C)n2)CCC[N@@H+]1C	ZINC000436354609	559940494	/nfs/dbraw/zinc/94/04/94/559940494.db2.gz	CBPGUBDJAMBLQO-AHCXZYCDSA-N	2	0	356.518	2.742	20	30		FEEDRP
Cc1cc(C[NH2+][C@@H](Cc2ccccc2)C(=O)NCC[NH+](C)C)ccc1C#N	ZINC000443984072	560098403	/nfs/dbraw/zinc/09/84/03/560098403.db2.gz	SKOKBYHYOBGCFP-NRFANRHFSA-N	2	0	364.493	2.245	20	30		FEEDRP
N#Cc1ccc(C[NH2+]CCCC[NH+]2CCN(c3ncccn3)CC2)c(F)c1	ZINC000533309826	562504839	/nfs/dbraw/zinc/50/48/39/562504839.db2.gz	XKVZUSPEAOFBDR-UHFFFAOYSA-N	2	0	368.460	2.179	20	30		FEEDRP
C[C@H]([NH2+][C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C)c1cccc(C#N)c1	ZINC000540788204	562593115	/nfs/dbraw/zinc/59/31/15/562593115.db2.gz	ASOBKJTXIVINDO-UWJYYQICSA-N	2	0	364.493	2.498	20	30		FEEDRP
CC(C)C[N@@H+]1CCC[C@H](CNCCS(=O)(=O)c2ccc(C#N)cc2)C1	ZINC000569595106	568409041	/nfs/dbraw/zinc/40/90/41/568409041.db2.gz	FONNMWKIGBBNBP-GOSISDBHSA-N	2	0	363.527	2.290	20	30		FEEDRP
C[NH+]=C(NCc1ccc(Br)cc1)N1CC[C@@H]([NH+]2CC=CC2)C1	ZINC000262761374	672920465	/nfs/dbraw/zinc/92/04/65/672920465.db2.gz	JNBMGCRJZFBBDQ-MRXNPFEDSA-N	2	0	363.303	2.471	20	30		FEEDRP
C[C@@H]1C[NH+](Cc2ccc(CNC(=[NH2+])N3CCSCC3)cc2)C[C@@H](C)O1	ZINC000303899832	673018347	/nfs/dbraw/zinc/01/83/47/673018347.db2.gz	RTUCMSRUTBUDDU-HZPDHXFCSA-N	2	0	362.543	2.159	20	30		FEEDRP
CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1cc(Br)ccc1OC	ZINC000303989629	673019486	/nfs/dbraw/zinc/01/94/86/673019486.db2.gz	XSMLCKGLAHPNOU-CQSZACIVSA-N	2	0	369.307	2.346	20	30		FEEDRP
C[C@@H]1[C@H](C(=O)N2CC[C@H](C[NH+](C)Cc3ccc(C#N)s3)C2)CC[N@@H+]1C	ZINC001029742523	680390853	/nfs/dbraw/zinc/39/08/53/680390853.db2.gz	VTTDGKAAFWDYOR-IIDMSEBBSA-N	2	0	360.527	2.240	20	30		FEEDRP
C#CC[NH+]1CCC(C(=O)NC[C@H](c2cccc(OC)c2)[NH+]2CCCC2)CC1	ZINC000057126727	540770870	/nfs/dbraw/zinc/77/08/70/540770870.db2.gz	NNPFOLANTRASNN-OAQYLSRUSA-N	2	0	369.509	2.294	20	30		FEEDRP
N#Cc1ccc(OC[C@@H](O)C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1	ZINC000134876380	544324336	/nfs/dbraw/zinc/32/43/36/544324336.db2.gz	IWOAARHBKFMFDJ-SLYNCCJLSA-N	2	0	355.482	2.247	20	30		FEEDRP
COc1ccc(C[NH2+]Cc2ccnc(N3CC[NH+](C)CC3)c2)cc1C#N	ZINC000174274075	327316767	/nfs/dbraw/zinc/31/67/67/327316767.db2.gz	GOJQZADTRCFVQX-UHFFFAOYSA-N	2	0	351.454	2.003	20	30		FEEDRP
CC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCC[NH+](Cc2ccc(C#N)cc2)CC1	ZINC000175386995	546309266	/nfs/dbraw/zinc/30/92/66/546309266.db2.gz	YSRXGEAEUHUCSB-HXUWFJFHSA-N	2	0	369.513	2.260	20	30		FEEDRP
C=CCN(CCOC)CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1	ZINC000191121748	548340406	/nfs/dbraw/zinc/34/04/06/548340406.db2.gz	KLLUXZLTCCCYID-UHFFFAOYSA-N	2	0	363.527	2.308	20	30		FEEDRP
C[NH+]=C(NC[C@@H](O)c1cc(Cl)cc(Cl)c1)NC[C@@H]1CC[N@H+](C)C1	ZINC000261950789	549773696	/nfs/dbraw/zinc/77/36/96/549773696.db2.gz	NYNCDFHPBUXHTD-XHDPSFHLSA-N	2	0	359.301	2.144	20	30		FEEDRP
C[C@@H](NC(=[NH2+])NC[C@H]1C[N@H+](C)CCN1C)c1ccc(Cl)cc1Cl	ZINC000267446784	550031580	/nfs/dbraw/zinc/03/15/80/550031580.db2.gz	QHDKJYRPZYUASP-YPMHNXCESA-N	2	0	358.317	2.205	20	30		FEEDRP
CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCCc1nc(-c2ccc(F)cc2)no1	ZINC000273323175	550494426	/nfs/dbraw/zinc/49/44/26/550494426.db2.gz	GTTBKPXBYFIJQO-MRXNPFEDSA-N	2	0	374.464	2.197	20	30		FEEDRP
CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc(OC2CC[NH+](C)CC2)cc1	ZINC000283890873	551445026	/nfs/dbraw/zinc/44/50/26/551445026.db2.gz	HLBXYUSWFHGQGJ-SFHVURJKSA-N	3	0	373.545	2.048	20	30		FEEDRP
CC(C)[C@@H](C[NH2+]C1CCN(c2ccc(C#N)cc2)CC1)N1CC[NH+](C)CC1	ZINC000285547520	551773176	/nfs/dbraw/zinc/77/31/76/551773176.db2.gz	GIJKEQRGPHRUAJ-JOCHJYFZSA-N	2	0	369.557	2.389	20	30		FEEDRP
C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+](C)CCCN(C)CC[NH+](C)C	ZINC000289369048	552308726	/nfs/dbraw/zinc/30/87/26/552308726.db2.gz	IDSFLMCLWVMYCI-LJQANCHMSA-N	2	0	373.545	2.137	20	30		FEEDRP
C[NH+](C)C1CCN(c2ccc(C#N)c(N3CCC([NH+](C)C)CC3)n2)CC1	ZINC000302719804	553728364	/nfs/dbraw/zinc/72/83/64/553728364.db2.gz	ZLQDLJBEYHNNNI-UHFFFAOYSA-N	2	0	356.518	2.014	20	30		FEEDRP
C[N@H+](C[C@H]1CC12CC[NH+](C[C@@H](O)COc1ccc(C#N)cc1)CC2)C1CC1	ZINC000362618208	554975949	/nfs/dbraw/zinc/97/59/49/554975949.db2.gz	WYQOMWDITWQBCJ-UYAOXDASSA-N	2	0	369.509	2.494	20	30		FEEDRP
C[C@@H]1C[N@H+](CCCOc2ccc(C#N)cc2)CC[C@@H]1N1CC[NH+](C)CC1	ZINC000362703290	554981804	/nfs/dbraw/zinc/98/18/04/554981804.db2.gz	PYRIJDXNMAHCTJ-NQIIRXRSSA-N	2	0	356.514	2.285	20	30		FEEDRP
C[C@H]1C[N@H+](CCCOc2ccc(C#N)cc2)CC[C@H]1N1CC[NH+](C)CC1	ZINC000362703288	554981956	/nfs/dbraw/zinc/98/19/56/554981956.db2.gz	PYRIJDXNMAHCTJ-GHTZIAJQSA-N	2	0	356.514	2.285	20	30		FEEDRP
COc1cc(C#N)ccc1OCC[NH2+][C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@@H]1C	ZINC000368417937	556303216	/nfs/dbraw/zinc/30/32/16/556303216.db2.gz	VFYAHFORLTUCHT-YTQUADARSA-N	2	0	373.497	2.425	20	30		FEEDRP
C[C@@H]1[C@H]([NH+]2CCCC2)CCN1CC#CCN1CC[C@H]([NH+]2CCCC2)[C@@H]1C	ZINC000368627767	556367884	/nfs/dbraw/zinc/36/78/84/556367884.db2.gz	YLEJFBCDKFPCEC-COPRSSIGSA-N	2	0	358.574	2.107	20	30		FEEDRP
CC[NH+](CC)C[C@@H](C)NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1	ZINC000519975005	562148299	/nfs/dbraw/zinc/14/82/99/562148299.db2.gz	QLEZJODYFWHOQN-QGZVFWFLSA-N	2	0	359.518	2.362	20	30		FEEDRP
C#CC[NH+]1CCC(C(=O)NC[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)CC1	ZINC000374280385	557857164	/nfs/dbraw/zinc/85/71/64/557857164.db2.gz	OGCDMUQCCWVYKM-JOCHJYFZSA-N	2	0	353.510	2.360	20	30		FEEDRP
C[N@H+](C[C@@H]1CC12CC[NH+](CC(=O)NCc1cccc(C#N)c1)CC2)C1CC1	ZINC000374284491	557858025	/nfs/dbraw/zinc/85/80/25/557858025.db2.gz	AAZMRCIFUQLBLB-IBGZPJMESA-N	2	0	366.509	2.371	20	30		FEEDRP
N#Cc1ncn(CC[NH2+][C@@H]2CCCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)n1	ZINC000376122234	558129776	/nfs/dbraw/zinc/12/97/76/558129776.db2.gz	GHWOMCYEVHSMCF-HSALFYBXSA-N	2	0	364.497	2.430	20	30		FEEDRP
C[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]CCNC(=O)C2N=CC=CC2=O)CC1	ZINC000378407808	558549882	/nfs/dbraw/zinc/54/98/82/558549882.db2.gz	XSSWCMQEMACURK-WXOYBGPJSA-N	2	0	360.502	2.146	20	30		FEEDRP
C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]CCNC(=O)C2N=CC=CC2=O)CC1	ZINC000378407801	558550070	/nfs/dbraw/zinc/55/00/70/558550070.db2.gz	XSSWCMQEMACURK-DBROBJPSSA-N	2	0	360.502	2.146	20	30		FEEDRP
C[C@@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)[C@@H]1CCC[NH2+]C1	ZINC000418331939	559397960	/nfs/dbraw/zinc/39/79/60/559397960.db2.gz	CWUPZHAAGKTXLP-VQIMIIECSA-N	2	0	357.502	2.020	20	30		FEEDRP
N#Cc1ccc(C[N@H+]2CCCN(C(=O)NC[C@H]3CCC[C@@H]([NH3+])C3)CC2)cc1	ZINC000418707339	559411823	/nfs/dbraw/zinc/41/18/23/559411823.db2.gz	BNWJLNYFHVJBBS-VQTJNVASSA-N	2	0	369.513	2.293	20	30		FEEDRP
C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2CCC(=O)Nc1cccc(C#N)c1	ZINC000441250366	560027253	/nfs/dbraw/zinc/02/72/53/560027253.db2.gz	QIQXFDWTIHSMKZ-CEXWTWQISA-N	2	0	356.470	2.070	20	30		FEEDRP
C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)[NH2+]C1CCC(C)(C#N)CC1	ZINC000449216189	560220612	/nfs/dbraw/zinc/22/06/12/560220612.db2.gz	QIDREHMPXDNHHU-SCCNAQOGSA-N	2	0	356.514	2.338	20	30		FEEDRP
CC(=O)N1CCC[N@H+](C[C@H]2CCCN(Cc3cc(C#N)cs3)C2)CC1	ZINC000449508296	560232130	/nfs/dbraw/zinc/23/21/30/560232130.db2.gz	UYFJMFSAUPIJOW-QGZVFWFLSA-N	2	0	360.527	2.386	20	30		FEEDRP
CC[NH+]=C(NCC1([NH+]2CCCC2)CCOCC1)N1CCS[C@@H](CC)C1	ZINC000261762664	672902774	/nfs/dbraw/zinc/90/27/74/672902774.db2.gz	DBUDWFBIQMNZGU-KRWDZBQOSA-N	2	0	368.591	2.424	20	30		FEEDRP
C[NH+]=C(NC[C@H]1CCCS1)NCC1([NH+]2CCSCC2)CCCC1	ZINC000261933803	672905449	/nfs/dbraw/zinc/90/54/49/672905449.db2.gz	CAJGTLZELRZNSB-OAHLLOKOSA-N	2	0	356.605	2.409	20	30		FEEDRP
Cn1cc(Cl)c(CNC(=[NH2+])NC2CC[NH+](Cc3ccccc3)CC2)n1	ZINC000263128536	672928139	/nfs/dbraw/zinc/92/81/39/672928139.db2.gz	MSLLBUMXRFDSAI-UHFFFAOYSA-N	2	0	360.893	2.142	20	30		FEEDRP
COc1ccc(NC(=[NH2+])NCCC[N@@H+]2CCCN(C)CC2)cc1Cl	ZINC000303986172	673019784	/nfs/dbraw/zinc/01/97/84/673019784.db2.gz	UIISPIWXPANIFS-UHFFFAOYSA-N	2	0	353.898	2.103	20	30		FEEDRP
C[C@@H]([NH2+]C1(CNC(=[NH2+])N2CCSCC2)CCOCC1)c1ccccc1	ZINC000304736875	673020237	/nfs/dbraw/zinc/02/02/37/673020237.db2.gz	AEZZKBUZUWBIOK-MRXNPFEDSA-N	2	0	362.543	2.250	20	30		FEEDRP
C#CC[N@H+](C)CCCNC(=S)NC1CC[NH+](Cc2ccccc2)CC1	ZINC000840756413	680841177	/nfs/dbraw/zinc/84/11/77/680841177.db2.gz	AQRLMJSBPKBSRM-UHFFFAOYSA-N	2	0	358.555	2.070	20	30		FEEDRP
C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@@H](c1cccc(OC)c1)[NH+]1CCCC1	ZINC000876709281	686249837	/nfs/dbraw/zinc/24/98/37/686249837.db2.gz	NYODVIVEZBDYDY-SJORKVTESA-N	2	0	351.878	2.418	20	30		FEEDRP
C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@H](c1ccccc1OC)[NH+]1CCCC1	ZINC000876711293	686250241	/nfs/dbraw/zinc/25/02/41/686250241.db2.gz	WABNLDLVSGBMID-JKSUJKDBSA-N	2	0	351.878	2.418	20	30		FEEDRP
C=C(Cl)C[C@@H]([NH3+])C(=O)N(Cc1ccccc1)[C@@H](C)CN1CCOCC1	ZINC000876753424	686260674	/nfs/dbraw/zinc/26/06/74/686260674.db2.gz	KSFMAZKICZTLLM-FUHWJXTLSA-N	2	0	365.905	2.206	20	30		FEEDRP
C=C(Cl)C[C@H]([NH3+])C(=O)N(Cc1ccccc1)[C@H](C)CN1CCOCC1	ZINC000876753423	686260704	/nfs/dbraw/zinc/26/07/04/686260704.db2.gz	KSFMAZKICZTLLM-AEFFLSMTSA-N	2	0	365.905	2.206	20	30		FEEDRP
C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@H](C[NH+]1CCCC1)c1ccc(OC)cc1	ZINC000876904440	686291824	/nfs/dbraw/zinc/29/18/24/686291824.db2.gz	YZVVDZAOAHKANK-IAGOWNOFSA-N	2	0	351.878	2.418	20	30		FEEDRP
C[NH+]1CCC(O)(C[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)CC1	ZINC000077450605	542383127	/nfs/dbraw/zinc/38/31/27/542383127.db2.gz	PCKCMFOOSDISRD-UHFFFAOYSA-N	2	0	353.470	2.010	20	30		FEEDRP
C=C(C)C[NH+]1CCC(NC(=O)NCc2ccc(OCC[NH+](C)C)cc2)CC1	ZINC000106262916	543221730	/nfs/dbraw/zinc/22/17/30/543221730.db2.gz	RBPMDEPVRVQXEM-UHFFFAOYSA-N	2	0	374.529	2.467	20	30		FEEDRP
C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1	ZINC000268170399	329393093	/nfs/dbraw/zinc/39/30/93/329393093.db2.gz	QMKZAXZEYAZGLK-JXFKEZNVSA-N	2	0	369.513	2.114	20	30		FEEDRP
C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1	ZINC000158868442	545901605	/nfs/dbraw/zinc/90/16/05/545901605.db2.gz	FLSJFAHDOGXALV-IRXDYDNUSA-N	2	0	364.534	2.363	20	30		FEEDRP
C=C(C)C[NH+]1CCC(NC(=O)N2CC[N@H+](CCOC)[C@@H](CCC)C2)CC1	ZINC000161763053	546134125	/nfs/dbraw/zinc/13/41/25/546134125.db2.gz	TWRJRKGKRLEQAU-IBGZPJMESA-N	2	0	366.550	2.169	20	30		FEEDRP
CC[NH+]1CCN([C@@H](C)C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)CC1	ZINC000181500185	547324534	/nfs/dbraw/zinc/32/45/34/547324534.db2.gz	VDWKESQUMRALEI-IBGZPJMESA-N	2	0	369.557	2.138	20	30		FEEDRP
C[N@@H+]1CCCN(CCC[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)CC1	ZINC000286277406	551868834	/nfs/dbraw/zinc/86/88/34/551868834.db2.gz	VOTPSVQRRMGJSS-UHFFFAOYSA-N	2	0	355.530	2.144	20	30		FEEDRP
CN1CCC([NH+]2CCC(NC(=O)N[C@H]3CCOC4(CCC4)C3)CC2)CC1	ZINC000330208975	554085644	/nfs/dbraw/zinc/08/56/44/554085644.db2.gz	HDVXHFGCBFNZAL-KRWDZBQOSA-N	2	0	364.534	2.150	20	30		FEEDRP
CN1CCC([N@@H+]2CC[C@H](NC(=O)c3ccc(C4(C#N)CC4)cc3)C2)CC1	ZINC000360604096	554881636	/nfs/dbraw/zinc/88/16/36/554881636.db2.gz	INQGLACRDGTNFE-SFHVURJKSA-N	2	0	352.482	2.140	20	30		FEEDRP
C=C(C)C[NH+]1CCC(NC(=O)NCc2ccnc(-n3ccnc3)c2)CC1	ZINC000363492605	555119409	/nfs/dbraw/zinc/11/94/09/555119409.db2.gz	FUCDCTWCUOXGCC-UHFFFAOYSA-N	2	0	354.458	2.107	20	30		FEEDRP
C=C(C)C[NH+]1CCC(NC(=O)NC[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)CC1	ZINC000364711912	555382446	/nfs/dbraw/zinc/38/24/46/555382446.db2.gz	CPUNHXJFXWCHGC-ICSRJNTNSA-N	2	0	371.529	2.414	20	30		FEEDRP
CCC[NH+]1CCN(C2CC[NH+](CCOc3ccc(C#N)cc3)CC2)CC1	ZINC000369154031	556518716	/nfs/dbraw/zinc/51/87/16/556518716.db2.gz	GGTIEQLMKUUZDH-UHFFFAOYSA-N	2	0	356.514	2.429	20	30		FEEDRP
C[C@@H]1C[N@H+](Cc2ccc(N(C)CCC#N)cc2)CC[C@H]1N1CC[NH+](C)CC1	ZINC000370695703	556942543	/nfs/dbraw/zinc/94/25/43/556942543.db2.gz	CKRJLLVLAFXEOZ-DENIHFKCSA-N	2	0	369.557	2.494	20	30		FEEDRP
C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3cnc(C)s3)C[C@@H]2C)CC1	ZINC000370942580	557023867	/nfs/dbraw/zinc/02/38/67/557023867.db2.gz	QRZKFWFTDSDJTI-KXBFYZLASA-N	2	0	374.554	2.123	20	30		FEEDRP
C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1	ZINC000371824442	557304423	/nfs/dbraw/zinc/30/44/23/557304423.db2.gz	WJEDBGXNUOSYNY-LJQANCHMSA-N	2	0	364.578	2.149	20	30		FEEDRP
C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2CCC(=O)Nc1ccccc1C#N	ZINC000374431858	557883224	/nfs/dbraw/zinc/88/32/24/557883224.db2.gz	ZASBXFDSJYZPDE-NZSAHSFTSA-N	2	0	356.470	2.070	20	30		FEEDRP
CCN(C[C@H](C)C#N)C(=O)C[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1	ZINC000374834610	557938024	/nfs/dbraw/zinc/93/80/24/557938024.db2.gz	AYVXNIWKBZVQDD-QGZVFWFLSA-N	2	0	357.502	2.238	20	30		FEEDRP
C(#CCN1CCC[C@H]1C[NH+]1CCCC1)CN1CCC[C@@H]1C[NH+]1CCCC1	ZINC000375385650	558018695	/nfs/dbraw/zinc/01/86/95/558018695.db2.gz	AMORFKHRJJPLCW-SZPZYZBQSA-N	2	0	358.574	2.110	20	30		FEEDRP
N#Cc1ccc(CN2CCC([NH2+][C@@H]3CCO[C@@]4(CCOC4)C3)CC2)cc1	ZINC000376163158	558135466	/nfs/dbraw/zinc/13/54/66/558135466.db2.gz	QOANBAQMKDQNOO-RTWAWAEBSA-N	2	0	355.482	2.450	20	30		FEEDRP
C=CCc1cc(CN2CCN([C@H]3CCC[N@H+](C)C3)CC2)cc(OC)c1O	ZINC000378357232	558537744	/nfs/dbraw/zinc/53/77/44/558537744.db2.gz	VIDZGUNZZZCOFR-IBGZPJMESA-N	2	0	359.514	2.341	20	30		FEEDRP
C=CCc1cc(C[NH2+]C[C@H](N2CC[NH2+]CC2)C(F)(F)F)cc(OC)c1O	ZINC000414973586	559198281	/nfs/dbraw/zinc/19/82/81/559198281.db2.gz	KOMKGBSEBARVHR-INIZCTEOSA-N	2	0	373.419	2.055	20	30		FEEDRP
C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]C[C@H](O)CC1(C#N)CCOCC1	ZINC000601968586	567889940	/nfs/dbraw/zinc/88/99/40/567889940.db2.gz	OVGPMKKISSOSBZ-HMXCVIKNSA-N	2	0	371.525	2.415	20	30		FEEDRP
CC[NH+]=C(NCC1(SC)CCOCC1)N1CC[C@H]([NH+]2CCCCC2)C1	ZINC000086741089	670684722	/nfs/dbraw/zinc/68/47/22/670684722.db2.gz	ZGCIDZKKLWGJCJ-KRWDZBQOSA-N	2	0	368.591	2.424	20	30		FEEDRP
C[NH+]=C(NCC1([NH+]2CCSCC2)CCCC1)N1CC[C@]2(CCOC2)C1	ZINC000262024254	672908004	/nfs/dbraw/zinc/90/80/04/672908004.db2.gz	ZIECVVUQDSNFEG-SFHVURJKSA-N	2	0	366.575	2.036	20	30		FEEDRP
C[NH+]=C(NC[C@]1(C)CCCC[C@@H]1O)N1CC[C@@H](C[NH+]2CCCCC2)C1	ZINC000262749623	672920000	/nfs/dbraw/zinc/92/00/00/672920000.db2.gz	BMAHRXWBMWTEJK-BJLQDIEVSA-N	2	0	350.551	2.311	20	30		FEEDRP
COc1ccc(C[NH+]2CCC(CNC(=[NH2+])N3CCSCC3)CC2)cc1	ZINC000303875432	673017977	/nfs/dbraw/zinc/01/79/77/673017977.db2.gz	HQCZPMXJWLLUDY-UHFFFAOYSA-N	2	0	362.543	2.271	20	30		FEEDRP
C[C@@H]1CN(C(C)(C)CNC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)C[C@H](C)O1	ZINC000328660175	673064408	/nfs/dbraw/zinc/06/44/08/673064408.db2.gz	UXQRFJMVQAPTTC-YYIAUSFCSA-N	2	0	352.523	2.005	20	30		FEEDRP
C[C@@H]1C[N@H+](Cc2ccccc2)CCC1=NNC(=S)NCCC[NH+](C)C	ZINC000734365415	673461198	/nfs/dbraw/zinc/46/11/98/673461198.db2.gz	ZPFJEEQRYWDHOG-MRXNPFEDSA-N	2	0	361.559	2.300	20	30		FEEDRP
C=C(Br)C[NH2+][C@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1	ZINC000999207246	680398979	/nfs/dbraw/zinc/39/89/79/680398979.db2.gz	KQIOOLYIWPYVIW-SOUVJXGZSA-N	2	0	358.324	2.206	20	30		FEEDRP
C#CC[N@H+](C)CCCNC(=O)NC[C@@H]1CCC[NH+](C)[C@H]1c1cccs1	ZINC000836489384	680476124	/nfs/dbraw/zinc/47/61/24/680476124.db2.gz	YWLIBFXLSBIUMH-FUHWJXTLSA-N	2	0	362.543	2.385	20	30		FEEDRP
C[NH+](C)C[C@@H]1CN(c2c(Br)cccc2C#N)C[C@H]1C[NH+](C)C	ZINC000866011181	684060206	/nfs/dbraw/zinc/06/02/06/684060206.db2.gz	VRHSLFLSGYXNDE-HUUCEWRRSA-N	2	0	365.319	2.496	20	30		FEEDRP
Cc1ncsc1CN(C[C@@H](O)c1ccc(C#N)cc1)C[C@H]1CC[NH2+]C1	ZINC000923336380	684265106	/nfs/dbraw/zinc/26/51/06/684265106.db2.gz	KKJSKWKKWMIRIR-FUHWJXTLSA-N	2	0	356.495	2.468	20	30		FEEDRP
C=C(Cl)C[C@H]([NH3+])C(=O)Nc1ccccc1C(=O)OC1CC[NH2+]CC1	ZINC000876520339	686214242	/nfs/dbraw/zinc/21/42/42/686214242.db2.gz	JKVJITWAYYULHY-AWEZNQCLSA-N	2	0	351.834	2.004	20	30		FEEDRP
C=C(Cl)C[C@H]([NH3+])C(=O)Nc1ccccc1C(=O)OC[C@@H]1CCC[NH2+]1	ZINC000876521143	686214646	/nfs/dbraw/zinc/21/46/46/686214646.db2.gz	IEYZDVHUCCQBFR-JSGCOSHPSA-N	2	0	351.834	2.004	20	30		FEEDRP
C=C(Cl)C[C@H]([NH3+])C(=O)NCC1([NH2+][C@H](C)c2ccccc2)CCOCC1	ZINC000876766466	686264147	/nfs/dbraw/zinc/26/41/47/686264147.db2.gz	KSMUZCMMFSLQTH-WBVHZDCISA-N	2	0	365.905	2.473	20	30		FEEDRP
N#C[C@@H]1C[NH2+]CC12CC(C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1)C2	ZINC000884178788	687809234	/nfs/dbraw/zinc/80/92/34/687809234.db2.gz	UYBODCGZRCIXPI-BHEGOAEISA-N	2	0	358.511	2.141	20	30		FEEDRP
C=C(C)C[NH+]1CCC(NC(=O)c2cccc(CN3CC[NH+](C)CC3)c2)CC1	ZINC000073436950	541954069	/nfs/dbraw/zinc/95/40/69/541954069.db2.gz	GOENDROMMSIIGX-UHFFFAOYSA-N	2	0	370.541	2.204	20	30		FEEDRP
COc1ccc(C[NH2+]C[C@@H](C)N2CC[NH+](C)CC2)cc1OCCCC#N	ZINC000105465671	543174512	/nfs/dbraw/zinc/17/45/12/543174512.db2.gz	OTUVXVRETFWXQD-QGZVFWFLSA-N	2	0	360.502	2.103	20	30		FEEDRP
CC(C)[NH+]1CCN(CCC[NH+]2CCN(c3cccc(F)c3C#N)CC2)CC1	ZINC000191380710	328262938	/nfs/dbraw/zinc/26/29/38/328262938.db2.gz	HQMBWACYGPXVSS-UHFFFAOYSA-N	2	0	373.520	2.235	20	30		FEEDRP
COc1ccc(C[NH2+]Cc2ccc(C(=O)NCC[NH+](C)C)cc2)cc1C#N	ZINC000174411240	327325429	/nfs/dbraw/zinc/32/54/29/327325429.db2.gz	DLDAWKGKKDTTHR-UHFFFAOYSA-N	2	0	366.465	2.148	20	30		FEEDRP
C[NH+](C)Cc1ccc(C[NH2+]CCS(=O)(=O)c2cccc(C#N)c2)cc1	ZINC000554797983	674336954	/nfs/dbraw/zinc/33/69/54/674336954.db2.gz	YDUOZBWZVWHYOA-UHFFFAOYSA-N	2	0	357.479	2.183	20	30		FEEDRP
CN(C)C(=[NH2+])NCc1ccccc1C[NH+]1CCN(c2ccccc2)CC1	ZINC000170904349	546181638	/nfs/dbraw/zinc/18/16/38/546181638.db2.gz	NQQXGHUXYPFNLC-UHFFFAOYSA-N	2	0	351.498	2.385	20	30		FEEDRP
C=CC[NH+]1CCC(NC(=O)[C@](C)([NH3+])c2ccc(Br)cc2)CC1	ZINC000261629414	549736517	/nfs/dbraw/zinc/73/65/17/549736517.db2.gz	BQFLQFBJYDIUQF-QGZVFWFLSA-N	2	0	366.303	2.390	20	30		FEEDRP
C[NH+]=C(N[C@H]1C[C@@](C)(OC)C1(C)C)NC1CC[NH+](Cc2ccccn2)CC1	ZINC000262371055	549814959	/nfs/dbraw/zinc/81/49/59/549814959.db2.gz	IPHHUVNJXLBMBC-GHTZIAJQSA-N	2	0	373.545	2.415	20	30		FEEDRP
CCOCCC[NH+]=C(NCc1ccc(OC)cc1)NC[C@@H]1CC[N@H+](C)C1	ZINC000263985472	549964132	/nfs/dbraw/zinc/96/41/32/549964132.db2.gz	SVVVVRDIXJWJHG-SFHVURJKSA-N	2	0	362.518	2.109	20	30		FEEDRP
C=C(C)CNC(=[NH2+])NCc1cccc(OCC[N@@H+](C)C2CCOCC2)c1	ZINC000264283300	549993634	/nfs/dbraw/zinc/99/36/34/549993634.db2.gz	OFGOYOGFYYSETM-UHFFFAOYSA-N	2	0	360.502	2.157	20	30		FEEDRP
C=CCS(=O)(=O)CC[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21	ZINC000272793754	550471276	/nfs/dbraw/zinc/47/12/76/550471276.db2.gz	ABMUAAUJZAWETO-HSALFYBXSA-N	2	0	362.539	2.478	20	30		FEEDRP
OCC[C@@H]([NH2+]CC#CC[NH2+][C@H](CCO)c1ccccc1)c1ccccc1	ZINC000278693259	550811907	/nfs/dbraw/zinc/81/19/07/550811907.db2.gz	SKGYVEQRRSHBOJ-FGZHOGPDSA-N	2	0	352.478	2.416	20	30		FEEDRP
C#Cc1ccc(C[NH+]2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)cc1	ZINC000289940681	552402784	/nfs/dbraw/zinc/40/27/84/552402784.db2.gz	XCNFLRWJSGRFGQ-UHFFFAOYSA-N	2	0	353.510	2.482	20	30		FEEDRP
C#Cc1cccc(NC(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)c1	ZINC000299491244	553570962	/nfs/dbraw/zinc/57/09/62/553570962.db2.gz	JNWRBJRDBSCPOO-UHFFFAOYSA-N	2	0	363.465	2.397	20	30		FEEDRP
CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@H](C)Oc1ccc(C#N)cc1	ZINC000505756242	561679369	/nfs/dbraw/zinc/67/93/69/561679369.db2.gz	ZIBJKMQRUPCEGL-HKUYNNGSSA-N	2	0	372.513	2.200	20	30		FEEDRP
CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)C1	ZINC000329201972	553900914	/nfs/dbraw/zinc/90/09/14/553900914.db2.gz	VUHVXRMIKZAJBF-IRXDYDNUSA-N	2	0	366.550	2.395	20	30		FEEDRP
CN(C(=O)N[C@H]1CC[N@@H+](C2CC2)C1)C1CC[NH+](CCc2ccccn2)CC1	ZINC000329284063	553918022	/nfs/dbraw/zinc/91/80/22/553918022.db2.gz	FXWQDLPNOKGULD-SFHVURJKSA-N	2	0	371.529	2.171	20	30		FEEDRP
O=C(NC[C@@H]1CN(Cc2ccccc2)CCO1)[C@H]1CCn2cncc2C1	ZINC000329356307	553930565	/nfs/dbraw/zinc/93/05/65/553930565.db2.gz	GZSQEJHDPWKMNH-PKOBYXMFSA-N	2	0	354.454	2.303	20	30		FEEDRP
CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1	ZINC000330230339	554089229	/nfs/dbraw/zinc/08/92/29/554089229.db2.gz	QLWMONLNGJPSDD-OTWHNJEPSA-N	2	0	366.550	2.084	20	30		FEEDRP
C[C@@H]1C[C@H](Nc2nc(N[C@@H]3CC[N@H+](C)[C@H](C)C3)ccc2C#N)CC[NH+]1C	ZINC000333047623	554564528	/nfs/dbraw/zinc/56/45/28/554564528.db2.gz	KSALMUADTRWUDU-JOCBIADPSA-N	2	0	356.518	2.742	20	30		FEEDRP
C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2CC(=O)N(CCC#N)c1ccccc1	ZINC000371292718	557133820	/nfs/dbraw/zinc/13/38/20/557133820.db2.gz	DEYZXXINOJDMGF-AQNXPRMDSA-N	2	0	370.497	2.117	20	30		FEEDRP
C[C@H]1C[N@H+](CCCOc2cccc(C#N)c2)CCN1C1CC[NH+](C)CC1	ZINC000374602554	557905442	/nfs/dbraw/zinc/90/54/42/557905442.db2.gz	IFJHEHSFRJMBJY-SFHVURJKSA-N	2	0	356.514	2.427	20	30		FEEDRP
C[C@@H](C(=O)N(C)CCC#N)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1	ZINC000375741885	558075708	/nfs/dbraw/zinc/07/57/08/558075708.db2.gz	FXQRKRBSVKKFSD-RXVVDRJESA-N	2	0	354.498	2.345	20	30		FEEDRP
C[C@H](C(=O)N(C)CCC#N)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1	ZINC000375741889	558075725	/nfs/dbraw/zinc/07/57/25/558075725.db2.gz	FXQRKRBSVKKFSD-WIYYLYMNSA-N	2	0	354.498	2.345	20	30		FEEDRP
C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2Cc1nnc(-c2ccc(C#N)cc2)o1	ZINC000378245681	558510422	/nfs/dbraw/zinc/51/04/22/558510422.db2.gz	CUAJVGIVBBGRLP-FGTMMUONSA-N	2	0	367.453	2.292	20	30		FEEDRP
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1	ZINC000418712646	559412076	/nfs/dbraw/zinc/41/20/76/559412076.db2.gz	GQKAQESKETVGJW-RTBURBONSA-N	2	0	357.502	2.149	20	30		FEEDRP
CN(C)c1ncc(CN2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)n1C	ZINC000425330394	559697143	/nfs/dbraw/zinc/69/71/43/559697143.db2.gz	VMBXCADCEAKISI-UHFFFAOYSA-N	2	0	352.486	2.066	20	30		FEEDRP
CC1(C#N)CCC([NH2+]CCCC[NH+]2CCN(c3ncccn3)CC2)CC1	ZINC000449121382	560216713	/nfs/dbraw/zinc/21/67/13/560216713.db2.gz	HIYAINMYLKWHID-UHFFFAOYSA-N	2	0	356.518	2.441	20	30		FEEDRP
C=CCOc1cccc(C[N@@H+]2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)c1	ZINC000469850054	560966697	/nfs/dbraw/zinc/96/66/97/560966697.db2.gz	GMQNBVVQIODGPG-ICSRJNTNSA-N	2	0	357.498	2.332	20	30		FEEDRP
N#Cc1csc(C[NH2+]CCCC[NH+]2CCN(c3ncccn3)CC2)c1	ZINC000531356415	562443082	/nfs/dbraw/zinc/44/30/82/562443082.db2.gz	KUMUGFMKCGYRFA-UHFFFAOYSA-N	2	0	356.499	2.102	20	30		FEEDRP
CC(C)(C)NC(=O)C[NH+]1CCC(C[NH2+]Cc2ccc(C#N)cc2F)CC1	ZINC000532987891	562494771	/nfs/dbraw/zinc/49/47/71/562494771.db2.gz	YNUZNTMTOABKOM-UHFFFAOYSA-N	2	0	360.477	2.414	20	30		FEEDRP
C=C(C)C[NH+]1CCC(NC(=O)Nc2cnn(C3CC[NH+](C)CC3)c2)CC1	ZINC000636740587	567999216	/nfs/dbraw/zinc/99/92/16/567999216.db2.gz	ACPDGKTUJWWDPA-UHFFFAOYSA-N	2	0	360.506	2.312	20	30		FEEDRP
C=C(C)CN(CC)C(=O)C[NH+]1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1	ZINC000588710786	672474530	/nfs/dbraw/zinc/47/45/30/672474530.db2.gz	WDVHHORDYBVTOL-ROUUACIJSA-N	2	0	351.535	2.232	20	30		FEEDRP
C[NH+]=C(NCc1cn2cc(Cl)ccc2n1)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C	ZINC000262005152	672907556	/nfs/dbraw/zinc/90/75/56/672907556.db2.gz	VJYZEACOPUVVNT-MLGOLLRUSA-N	2	0	360.893	2.135	20	30		FEEDRP
[NH2+]=C(NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1)N1CCSCC1	ZINC000262427155	672915675	/nfs/dbraw/zinc/91/56/75/672915675.db2.gz	CYJRHXHMZSAPPL-UHFFFAOYSA-N	2	0	350.454	2.155	20	30		FEEDRP
C[NH+]=C(NC[C@H]1CCCO1)NCC1([NH+]2CCSCC2)CCCCC1	ZINC000263162705	672929142	/nfs/dbraw/zinc/92/91/42/672929142.db2.gz	YVWDFFKCTCCQBC-MRXNPFEDSA-N	2	0	354.564	2.082	20	30		FEEDRP
C#C[C@H](NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1ccc(Cl)cc1F	ZINC000820737722	675383635	/nfs/dbraw/zinc/38/36/35/675383635.db2.gz	KAYVQRZKRUMQJN-KRWDZBQOSA-N	2	0	368.884	2.288	20	30		FEEDRP
CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](C[NH2+]Cc3ccc(C#N)s3)C2)CC[N@@H+]1C	ZINC000983714312	680323309	/nfs/dbraw/zinc/32/33/09/680323309.db2.gz	PUPCORPMYHIJCR-DFEHZGFQSA-N	2	0	360.527	2.334	20	30		FEEDRP
C[C@@H]1[C@H](C(=O)N[C@H]2CCC[NH+](Cc3ccc(C#N)s3)CC2)CC[N@@H+]1C	ZINC001052393812	681076913	/nfs/dbraw/zinc/07/69/13/681076913.db2.gz	RDWCMBQQDUEVHG-RVKKMQEKSA-N	2	0	360.527	2.431	20	30		FEEDRP
C[C@@H]1[C@H](C(=O)N2CCC[C@H]2C[NH+](C)Cc2ccc(C#N)s2)CC[N@@H+]1C	ZINC000960641891	682055029	/nfs/dbraw/zinc/05/50/29/682055029.db2.gz	NRBBFKNLDSIMSE-RVKKMQEKSA-N	2	0	360.527	2.383	20	30		FEEDRP
C[C@@H](CN(C)CCC[NH+](C)C)Nc1cc(Br)cnc1C#N	ZINC000853774930	682467427	/nfs/dbraw/zinc/46/74/27/682467427.db2.gz	ZLDWPFBOZRMAGT-LBPRGKRZSA-N	2	0	354.296	2.400	20	30		FEEDRP
C[C@@H](C[NH2+]Cc1cc(C#N)ccc1Br)CN1CC[NH+](C)CC1	ZINC000921686462	683543076	/nfs/dbraw/zinc/54/30/76/683543076.db2.gz	SOINUUFTFDNIMY-AWEZNQCLSA-N	2	0	365.319	2.294	20	30		FEEDRP
C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1cc(C#N)ccc1Br	ZINC000922011545	683636574	/nfs/dbraw/zinc/63/65/74/683636574.db2.gz	KAGDWVZCNGMDPE-AWEZNQCLSA-N	2	0	365.319	2.436	20	30		FEEDRP
C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@@H](c1ccccc1OC)[NH+]1CCCC1	ZINC000876711289	686250413	/nfs/dbraw/zinc/25/04/13/686250413.db2.gz	WABNLDLVSGBMID-CVEARBPZSA-N	2	0	351.878	2.418	20	30		FEEDRP
C=CCc1ccccc1OC[C@@H](O)C[NH+]1CCC(C[NH+]2CCOCC2)CC1	ZINC000076682650	542312249	/nfs/dbraw/zinc/31/22/49/542312249.db2.gz	ZIEQAGBEHKEIRS-NRFANRHFSA-N	2	0	374.525	2.199	20	30		FEEDRP
CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc(O)c(Br)c1	ZINC000153462554	544778759	/nfs/dbraw/zinc/77/87/59/544778759.db2.gz	JNKFYSKLZVKCFW-LBPRGKRZSA-N	2	0	355.280	2.043	20	30		FEEDRP
C=CC[NH+]1CCC(NC(=O)NC2CCN(c3ccc(C)cn3)CC2)CC1	ZINC000173197907	546275810	/nfs/dbraw/zinc/27/58/10/546275810.db2.gz	PDUCMANOFRYWEP-UHFFFAOYSA-N	2	0	357.502	2.308	20	30		FEEDRP
C=CCOc1ccc(C[N@@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])cc1OC	ZINC000261982897	549777436	/nfs/dbraw/zinc/77/74/36/549777436.db2.gz	JKRAPBBEKGGXIT-KRWDZBQOSA-N	2	0	361.486	2.080	20	30		FEEDRP
C[NH+]=C(N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)NC1CC[NH+](Cc2ccccn2)CC1	ZINC000262389646	549816019	/nfs/dbraw/zinc/81/60/19/549816019.db2.gz	LYKFUTNQJYBULR-OTWHNJEPSA-N	2	0	371.529	2.025	20	30		FEEDRP
C[C@H](CNC(=[NH2+])Nc1ccc(OC(F)(F)F)cc1)C[NH+]1CCN(C)CC1	ZINC000264085084	549977346	/nfs/dbraw/zinc/97/73/46/549977346.db2.gz	IZBMIAYSUZDJFD-CYBMUJFWSA-N	2	0	373.423	2.195	20	30		FEEDRP
CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc(NC(=O)NC(C)C)cc1	ZINC000264089062	549978129	/nfs/dbraw/zinc/97/81/29/549978129.db2.gz	KLUYHMIFHQSWIZ-KRWDZBQOSA-N	2	0	360.506	2.105	20	30		FEEDRP
C#CC[NH+]1CCC(c2nc(-c3cccc(OCC[NH+](C)C)c3)no2)CC1	ZINC000277760235	550710978	/nfs/dbraw/zinc/71/09/78/550710978.db2.gz	CZQKIDHKRVOPGT-UHFFFAOYSA-N	2	0	354.454	2.490	20	30		FEEDRP
COc1cc(C[NH2+]Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)ccc1C#N	ZINC000281458222	551100012	/nfs/dbraw/zinc/10/00/12/551100012.db2.gz	ARSMTWZBSIYPDM-FQEVSTJZSA-N	2	0	351.450	2.423	20	30		FEEDRP
C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2CC(=O)N(C)C)c1ccc(C#N)c(F)c1	ZINC000285577777	551777697	/nfs/dbraw/zinc/77/76/97/551777697.db2.gz	GZZFEMXVQGQUCL-DXJOGWAWSA-N	2	0	358.461	2.432	20	30		FEEDRP
C=CCc1ccc(OC[C@H](O)CN2CC[C@@]3(CC[N@H+](C)C3)C2)c(OC)c1	ZINC000292147863	552698401	/nfs/dbraw/zinc/69/84/01/552698401.db2.gz	NEANFMYYSNLOKG-WIYYLYMNSA-N	2	0	360.498	2.191	20	30		FEEDRP
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1	ZINC000504316257	561656180	/nfs/dbraw/zinc/65/61/80/561656180.db2.gz	GBUZVCRBLDHNFP-UXHICEINSA-N	2	0	369.513	2.258	20	30		FEEDRP
C[NH+]1CCC[C@H](CNc2nc(NC[C@@H]3CCC[N@@H+](C)C3)ccc2C#N)C1	ZINC000302892230	553740706	/nfs/dbraw/zinc/74/07/06/553740706.db2.gz	PZJDSSPYWHCBAI-DLBZAZTESA-N	2	0	356.518	2.461	20	30		FEEDRP
CC[N@@H+]1C[C@H](C)N(C(=O)NC2CC[NH+](Cc3ccccn3)CC2)C[C@@H]1C	ZINC000328977538	553857276	/nfs/dbraw/zinc/85/72/76/553857276.db2.gz	QLDXAXSMRQAYNO-IRXDYDNUSA-N	2	0	359.518	2.375	20	30		FEEDRP
CC(C)[N@@H+]1CCCN(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)CC1	ZINC000330210279	554085734	/nfs/dbraw/zinc/08/57/34/554085734.db2.gz	CGGLIPKSGUUXQY-MOPGFXCFSA-N	2	0	366.550	2.084	20	30		FEEDRP
CCC[NH+]1CCN(c2ccc(C#N)c(N3CC[NH+](CCC)CC3)n2)CC1	ZINC000509727662	561811852	/nfs/dbraw/zinc/81/18/52/561811852.db2.gz	FRGBXACZSPSLMB-UHFFFAOYSA-N	2	0	356.518	2.017	20	30		FEEDRP
N#Cc1ccccc1NC(=O)CC[NH+]1CCC(CC[NH+]2CCOCC2)CC1	ZINC000363664421	555158755	/nfs/dbraw/zinc/15/87/55/555158755.db2.gz	YCMARSJWOGCKSG-UHFFFAOYSA-N	2	0	370.497	2.321	20	30		FEEDRP
CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCC(C)(C)CCC#N	ZINC000513130218	561926397	/nfs/dbraw/zinc/92/63/97/561926397.db2.gz	RPUFCDXIRWQWFP-KRWDZBQOSA-N	2	0	351.539	2.374	20	30		FEEDRP
C[C@@H](C#N)Oc1ccc(C[N@@H+]2CCC[C@H](CN3CC[NH+](C)CC3)C2)cc1	ZINC000368050180	556204851	/nfs/dbraw/zinc/20/48/51/556204851.db2.gz	DEHNLCVKKYLXGG-AZUAARDMSA-N	2	0	356.514	2.437	20	30		FEEDRP
C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](Cc3cnc(C)s3)C[C@@H]2C)CC1	ZINC000370942579	557023785	/nfs/dbraw/zinc/02/37/85/557023785.db2.gz	QRZKFWFTDSDJTI-HNAYVOBHSA-N	2	0	374.554	2.123	20	30		FEEDRP
CC(=O)N1CCC[N@H+](C[C@@H]2CCCN(Cc3ccccc3C#N)C2)CC1	ZINC000449497095	560231728	/nfs/dbraw/zinc/23/17/28/560231728.db2.gz	KEAOZNHGBYENCZ-IBGZPJMESA-N	2	0	354.498	2.324	20	30		FEEDRP
CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCCc1cccc(C#N)c1	ZINC000466815173	560896527	/nfs/dbraw/zinc/89/65/27/560896527.db2.gz	LKCJJOMWUFXCPL-FQEVSTJZSA-N	2	0	371.529	2.158	20	30		FEEDRP
C=CCOc1ccccc1C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1	ZINC000469867386	560967391	/nfs/dbraw/zinc/96/73/91/560967391.db2.gz	VQCYFDUDDPJNDL-MJGOQNOKSA-N	2	0	357.498	2.332	20	30		FEEDRP
C(#CCN1CC[NH+](C2CCCC2)CC1)CN1CC[NH+](C2CCCC2)CC1	ZINC000472771552	561034914	/nfs/dbraw/zinc/03/49/14/561034914.db2.gz	NXGGRGIVSIKENN-UHFFFAOYSA-N	2	0	358.574	2.110	20	30		FEEDRP
CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1cc(Br)ccc1F	ZINC000262006416	672907287	/nfs/dbraw/zinc/90/72/87/672907287.db2.gz	RQOFFUIDNXGYET-ZDUSSCGKSA-N	2	0	357.271	2.477	20	30		FEEDRP
C[C@@H]1[C@H](C(=O)N2C[C@H]([NH2+]Cc3ccc(C#N)s3)C(C)(C)C2)CC[N@@H+]1C	ZINC000995826256	680304858	/nfs/dbraw/zinc/30/48/58/680304858.db2.gz	PIATWPWBXHVOCU-XYPHTWIQSA-N	2	0	360.527	2.287	20	30		FEEDRP
C#CC[N@H+](C)CCCNC(=O)NC[C@@H]1CCC[NH+](C)[C@@H]1c1cccs1	ZINC000836489389	680476215	/nfs/dbraw/zinc/47/62/15/680476215.db2.gz	YWLIBFXLSBIUMH-WMZOPIPTSA-N	2	0	362.543	2.385	20	30		FEEDRP
C=CCNC(=[NH2+])NCc1cc(C(F)(F)F)ccc1N1CC[NH+](C)CC1	ZINC000849086020	681651443	/nfs/dbraw/zinc/65/14/43/681651443.db2.gz	LODVCNQEABYHDA-UHFFFAOYSA-N	2	0	355.408	2.257	20	30		FEEDRP
C=CC[C@@H](C(=O)OC)[N@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1	ZINC000878174254	686535273	/nfs/dbraw/zinc/53/52/73/686535273.db2.gz	MSCVIINHOSFNMV-IBGZPJMESA-N	2	0	351.535	2.232	20	30		FEEDRP
C=CCC[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1)[C@]1(C)CCCCO1	ZINC000902792792	690807832	/nfs/dbraw/zinc/80/78/32/690807832.db2.gz	DIWCARWLFJGNGB-HBFSDRIKSA-N	2	0	351.535	2.457	20	30		FEEDRP
N#CCc1ccc(OC[C@H](O)C[NH+]2CCC(C[NH+]3CCCC3)CC2)cc1	ZINC000047971939	540337318	/nfs/dbraw/zinc/33/73/18/540337318.db2.gz	ILYXXFIUDOQDBA-HXUWFJFHSA-N	2	0	357.498	2.300	20	30		FEEDRP
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2cccc(C[NH+](CC)CC)c2)CC1	ZINC000076512821	542288616	/nfs/dbraw/zinc/28/86/16/542288616.db2.gz	MKLCWEUGRLGPQU-UHFFFAOYSA-N	2	0	372.513	2.234	20	30		FEEDRP
C[C@@H](C(=O)N(C)CCC#N)[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1	ZINC000092821447	542888952	/nfs/dbraw/zinc/88/89/52/542888952.db2.gz	KGLGFDKXBNWENX-KRWDZBQOSA-N	2	0	357.502	2.380	20	30		FEEDRP
C=CCC[C@@H](O)C[NH+]1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1	ZINC000120211564	543677140	/nfs/dbraw/zinc/67/71/40/543677140.db2.gz	LEOXUGQACJHXAD-LJQANCHMSA-N	2	0	351.535	2.018	20	30		FEEDRP
C=C(C)C[NH+]1CCC(NC(=O)NCC2([NH+](C)C)Cc3ccccc3C2)CC1	ZINC000266822296	550024632	/nfs/dbraw/zinc/02/46/32/550024632.db2.gz	XNQKSZNDIBCIHQ-UHFFFAOYSA-N	2	0	370.541	2.425	20	30		FEEDRP
C=C[C@@H]1CCCCN1C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1	ZINC000494863645	561478159	/nfs/dbraw/zinc/47/81/59/561478159.db2.gz	DQQHWCHRGVCUTA-GOSISDBHSA-N	2	0	357.502	2.344	20	30		FEEDRP
C#CC[NH+]1CCC(C(=O)NCc2ccc(OC3CC[NH+](C)CC3)cc2)CC1	ZINC000285109057	551705737	/nfs/dbraw/zinc/70/57/37/551705737.db2.gz	YISVZMULZULNCQ-UHFFFAOYSA-N	2	0	369.509	2.121	20	30		FEEDRP
CN(C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1)C(=O)NC[C@@H]1CC[NH+](C2CC2)C1	ZINC000330331455	554106227	/nfs/dbraw/zinc/10/62/27/554106227.db2.gz	OAYCKGHVTMVGEU-QRFRQXIXSA-N	2	0	371.529	2.405	20	30		FEEDRP
N#Cc1ccc(N2CCC([NH2+]C3CCC([NH+]4CCNCC4)CC3)CC2)cc1	ZINC000333854417	554649711	/nfs/dbraw/zinc/64/97/11/554649711.db2.gz	QOTPYKGZDFPVPE-UHFFFAOYSA-N	2	0	367.541	2.333	20	30		FEEDRP
CCCC[C@@H](ON=C(C)C)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1	ZINC000363870692	555203208	/nfs/dbraw/zinc/20/32/08/555203208.db2.gz	WYDBHHZLGWEEMZ-SJLPKXTDSA-N	2	0	352.523	2.242	20	30		FEEDRP
C[C@H](C#N)Oc1ccc(C[NH+]2CCC(C[NH+]3CCN(C)CC3)CC2)cc1	ZINC000368584047	556353122	/nfs/dbraw/zinc/35/31/22/556353122.db2.gz	LPKWUEJZBOBCDC-GOSISDBHSA-N	2	0	356.514	2.437	20	30		FEEDRP
N#Cc1ccc(C[N@H+]2CCCN(C(=O)N[C@H](C[NH3+])C3CCCC3)CC2)cc1	ZINC000418612977	559407912	/nfs/dbraw/zinc/40/79/12/559407912.db2.gz	FIRIMJZCRLURNG-HXUWFJFHSA-N	2	0	369.513	2.293	20	30		FEEDRP
C[NH+](C)CCNC(=O)c1ccc(C[NH2+]Cc2ccc(C#N)c(F)c2)cc1	ZINC000421346890	559539865	/nfs/dbraw/zinc/53/98/65/559539865.db2.gz	ZZZJRMPAUOGLAF-UHFFFAOYSA-N	2	0	354.429	2.279	20	30		FEEDRP
C[C@@H]1C[C@@H](NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)CC[N@@H+]1C	ZINC000466033185	560878743	/nfs/dbraw/zinc/87/87/43/560878743.db2.gz	BKNWBBRXQYPNDZ-APWZRJJASA-N	2	0	357.502	2.114	20	30		FEEDRP
C=CC[NH+]1CCC(NC(=O)Nc2cc(C)nn2C2CC[NH+](C)CC2)CC1	ZINC000530950609	562429509	/nfs/dbraw/zinc/42/95/09/562429509.db2.gz	REZUDUYRMPEASJ-UHFFFAOYSA-N	2	0	360.506	2.230	20	30		FEEDRP
C[NH+]=C(NCC1(SC)CCOCC1)N1CC[C@@H]([NH+]2CCCCC2)C1	ZINC000086741125	670684515	/nfs/dbraw/zinc/68/45/15/670684515.db2.gz	IOEHXGRHOJHGIR-MRXNPFEDSA-N	2	0	354.564	2.034	20	30		FEEDRP
CC[NH+]1CCN([C@@H](C)CNC(=[NH2+])Nc2ccc(OC)c(Cl)c2)CC1	ZINC000303893036	673018590	/nfs/dbraw/zinc/01/85/90/673018590.db2.gz	OAQGFSDFKJTKKY-ZDUSSCGKSA-N	2	0	353.898	2.101	20	30		FEEDRP
CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCOc1cccc(Br)c1	ZINC000303895142	673018656	/nfs/dbraw/zinc/01/86/56/673018656.db2.gz	SZMVGSZNBDVOTQ-CQSZACIVSA-N	2	0	369.307	2.217	20	30		FEEDRP
C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)[C@@H]([NH3+])CCCCC#N	ZINC000594444315	673072175	/nfs/dbraw/zinc/07/21/75/673072175.db2.gz	OPAALHWZNWKIQS-KRWDZBQOSA-N	2	0	352.429	2.266	20	30		FEEDRP
C#CC[NH+]1CCC(NC(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)CC1	ZINC000913891051	685487893	/nfs/dbraw/zinc/48/78/93/685487893.db2.gz	ICECBSYILGRDDT-QGZVFWFLSA-N	2	0	360.527	2.282	20	30		FEEDRP
Cc1ncsc1CN(C[C@H](O)c1ccc(C#N)cc1)C[C@@H]1CC[NH2+]C1	ZINC000923336379	684265199	/nfs/dbraw/zinc/26/51/99/684265199.db2.gz	KKJSKWKKWMIRIR-AEFFLSMTSA-N	2	0	356.495	2.468	20	30		FEEDRP
C=C(Cl)C[C@H]([NH3+])C(=O)N(C)C1CC[NH+](CCc2ccccn2)CC1	ZINC000876740486	686257454	/nfs/dbraw/zinc/25/74/54/686257454.db2.gz	FAAXTLBFQNKYAK-KRWDZBQOSA-N	2	0	350.894	2.017	20	30		FEEDRP
C=C(Cl)C[C@@H]([NH3+])C(=O)Nc1cccc(C[NH+]2CCC(CO)CC2)c1	ZINC000876745773	686259474	/nfs/dbraw/zinc/25/94/74/686259474.db2.gz	LPNCYPWZMASWDF-QGZVFWFLSA-N	2	0	351.878	2.299	20	30		FEEDRP
CC(C)c1cccc(NC(=[NH2+])NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)c1	ZINC000104191939	543126248	/nfs/dbraw/zinc/12/62/48/543126248.db2.gz	UXELJROMSVOOTE-GOSISDBHSA-N	2	0	359.518	2.479	20	30		FEEDRP
COc1ccc(C[NH2+][C@H](C)CN2CC[NH+](C)CC2)cc1OCCCC#N	ZINC000106485693	543231967	/nfs/dbraw/zinc/23/19/67/543231967.db2.gz	WMBGWJGEARHWAY-QGZVFWFLSA-N	2	0	360.502	2.103	20	30		FEEDRP
C=C(C)C[NH+]1CCC(NC(=O)N(CC[NH+](C)C)Cc2ccccn2)CC1	ZINC000107392255	543269769	/nfs/dbraw/zinc/26/97/69/543269769.db2.gz	KPWBZCVPKOHNDK-UHFFFAOYSA-N	2	0	359.518	2.195	20	30		FEEDRP
C[C@@H](CN1CC[NH+](C)CC1)[NH2+]Cc1cn(CCC#N)nc1-c1ccccc1	ZINC000113339435	543484303	/nfs/dbraw/zinc/48/43/03/543484303.db2.gz	OCJQACPYXSUGAO-SFHVURJKSA-N	2	0	366.513	2.189	20	30		FEEDRP
CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@@H](C)Oc1ccccc1C#N	ZINC000128974682	544083650	/nfs/dbraw/zinc/08/36/50/544083650.db2.gz	NPPCTRIKIZLQTI-MJGOQNOKSA-N	2	0	372.513	2.200	20	30		FEEDRP
CC(C)[NH+]1CCN(C2CC[NH+](CCOc3ccc(C#N)cc3)CC2)CC1	ZINC000270950028	329648180	/nfs/dbraw/zinc/64/81/80/329648180.db2.gz	SPRLACSKWRLFGA-UHFFFAOYSA-N	2	0	356.514	2.427	20	30		FEEDRP
C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@@H](CN2CCOCC2)C1	ZINC000246625260	549178022	/nfs/dbraw/zinc/17/80/22/549178022.db2.gz	NPPCDYAULFLIFR-PZJWPPBQSA-N	2	0	374.525	2.199	20	30		FEEDRP
C=CCn1cccc1C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1	ZINC000488979346	561400764	/nfs/dbraw/zinc/40/07/64/561400764.db2.gz	IHXWZRALNSBTDL-UHFFFAOYSA-N	2	0	353.470	2.011	20	30		FEEDRP
C[NH+]=C(NCCc1nc(C(F)(F)F)cs1)N1CC[C@H]([NH+]2CC=CC2)C1	ZINC000262794534	549850366	/nfs/dbraw/zinc/85/03/66/549850366.db2.gz	OXGWQPZQZBGEFC-LBPRGKRZSA-N	2	0	373.448	2.226	20	30		FEEDRP
C[NH+](C)C1CCN(CCNC(=[NH2+])NCc2cccc(C(F)(F)F)c2)CC1	ZINC000267242964	550028692	/nfs/dbraw/zinc/02/86/92/550028692.db2.gz	BPKSPEYDNQTWJR-UHFFFAOYSA-N	2	0	371.451	2.136	20	30		FEEDRP
C#CC[NH+]1CCC(C(=O)N[C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1	ZINC000272300386	550435749	/nfs/dbraw/zinc/43/57/49/550435749.db2.gz	POOYRJOBGWFPSW-WIYYLYMNSA-N	2	0	353.510	2.358	20	30		FEEDRP
C#CC[N@H+](C)CCCNC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1	ZINC000297196041	553262114	/nfs/dbraw/zinc/26/21/14/553262114.db2.gz	CLMAAFYYJNIHTF-UHFFFAOYSA-N	2	0	356.514	2.248	20	30		FEEDRP
CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1nc(-c2ccc(Cl)cc2)no1	ZINC000304764030	553747449	/nfs/dbraw/zinc/74/74/49/553747449.db2.gz	XLBSTZYYCNFYIL-AWEZNQCLSA-N	2	0	362.865	2.279	20	30		FEEDRP
CC[N@@H+]1CC[C@H](N(C)CC(=O)N[C@H](C)C(=O)N2CCCCC2)C[C@H]1C	ZINC000329606083	553975707	/nfs/dbraw/zinc/97/57/07/553975707.db2.gz	ZQDYPSMDSSWAKG-ZACQAIPSSA-N	2	0	352.523	2.149	20	30		FEEDRP
CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CCC3(CCOCC3)[C@@H]2C)C1	ZINC000329697385	553991409	/nfs/dbraw/zinc/99/14/09/553991409.db2.gz	YHDZVHRAKCTWSL-ZWKOTPCHSA-N	2	0	367.534	2.191	20	30		FEEDRP
COc1cc(C[NH+]2CCC(C)(C[NH+]3CCN(C)CC3)CC2)ccc1C#N	ZINC000374216312	557844664	/nfs/dbraw/zinc/84/46/64/557844664.db2.gz	JJGOUKLZONPFHN-UHFFFAOYSA-N	2	0	356.514	2.416	20	30		FEEDRP
CC(C)[NH+]1CCN(CCC[NH+]2CCC(C#N)(c3ccccn3)CC2)CC1	ZINC000376594866	558195256	/nfs/dbraw/zinc/19/52/56/558195256.db2.gz	IDRPSZDZCXVFCG-UHFFFAOYSA-N	2	0	355.530	2.355	20	30		FEEDRP
C[C@@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)[C@H]1CCC[NH2+]C1	ZINC000418331936	559397833	/nfs/dbraw/zinc/39/78/33/559397833.db2.gz	CWUPZHAAGKTXLP-APWZRJJASA-N	2	0	357.502	2.020	20	30		FEEDRP
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCCC[C@H]1C[NH3+]	ZINC000418436140	559401453	/nfs/dbraw/zinc/40/14/53/559401453.db2.gz	WTFZBQKYJDKNPU-RBUKOAKNSA-N	2	0	357.502	2.149	20	30		FEEDRP
C[C@@H](CCCC[NH3+])NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1	ZINC000418686854	559411241	/nfs/dbraw/zinc/41/12/41/559411241.db2.gz	CSQXAESKWBUVQV-KRWDZBQOSA-N	2	0	357.502	2.293	20	30		FEEDRP
C=CCNC(=O)Nc1ccc(NC(=O)CCC[NH+]2CCC([NH3+])CC2)cc1	ZINC000433168344	559872896	/nfs/dbraw/zinc/87/28/96/559872896.db2.gz	MMHLFDLHWTYXRU-UHFFFAOYSA-N	2	0	359.474	2.136	20	30		FEEDRP
C[C@@H]([NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc(OCC#N)cc1	ZINC000817971647	675188458	/nfs/dbraw/zinc/18/84/58/675188458.db2.gz	FZVJTLYLYLAIAR-CJNGLKHVSA-N	2	0	356.392	2.076	20	30		FEEDRP
CNC(NCCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1)=[NH+]C	ZINC000122466176	671967309	/nfs/dbraw/zinc/96/73/09/671967309.db2.gz	RHDDLIDIIRSPOZ-UHFFFAOYSA-N	2	0	357.424	2.012	20	30		FEEDRP
CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCC1CC[NH+](Cc2cccs2)CC1	ZINC000303884119	673018373	/nfs/dbraw/zinc/01/83/73/673018373.db2.gz	MQYKJJJNRPBBTR-KRWDZBQOSA-N	3	0	363.575	2.349	20	30		FEEDRP
CC(C)NC(=[NH2+])NCc1cc(C(F)(F)F)ccc1N1CC[NH+](C)CC1	ZINC000304774475	673020879	/nfs/dbraw/zinc/02/08/79/673020879.db2.gz	BXHLMGQDGVOLFN-UHFFFAOYSA-N	2	0	357.424	2.270	20	30		FEEDRP
C[C@H]1C[N@H+](Cc2ccccc2)CCC1=NNC(=S)NCCC[NH+](C)C	ZINC000734365414	673461225	/nfs/dbraw/zinc/46/12/25/673461225.db2.gz	ZPFJEEQRYWDHOG-INIZCTEOSA-N	2	0	361.559	2.300	20	30		FEEDRP
N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1	ZINC000846313137	681223800	/nfs/dbraw/zinc/22/38/00/681223800.db2.gz	KJSMCYMXNXZXIX-PBHICJAKSA-N	2	0	359.499	2.108	20	30		FEEDRP
Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)C#CC1CC[NH2+]CC1	ZINC000852863790	682351247	/nfs/dbraw/zinc/35/12/47/682351247.db2.gz	IOHGNARCFJQROE-UHFFFAOYSA-N	2	0	357.523	2.485	20	30		FEEDRP
C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@@H](c1ccc(OC)cc1)[NH+]1CCCC1	ZINC000876711090	686249822	/nfs/dbraw/zinc/24/98/22/686249822.db2.gz	TUMIEXHTUPZCMD-SJORKVTESA-N	2	0	351.878	2.418	20	30		FEEDRP
C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1	ZINC000876782415	686267995	/nfs/dbraw/zinc/26/79/95/686267995.db2.gz	QEBXQPPGYVCBSV-BBRMVZONSA-N	2	0	368.884	2.225	20	30		FEEDRP
C=C(Cl)C[C@@H]([NH3+])C(=O)N(C)CCC1CC[NH+](C2CCN(C)CC2)CC1	ZINC000876785242	686268214	/nfs/dbraw/zinc/26/82/14/686268214.db2.gz	ROAMWZAYVZVLNP-GOSISDBHSA-N	2	0	370.969	2.111	20	30		FEEDRP
C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@@H](C[NH+]1CCCC1)c1ccc(OC)cc1	ZINC000876904442	686291881	/nfs/dbraw/zinc/29/18/81/686291881.db2.gz	YZVVDZAOAHKANK-SJORKVTESA-N	2	0	351.878	2.418	20	30		FEEDRP
C#CC[NH+]1CCC(C(=O)NC[C@H](Cc2ccccc2)[NH+](CC)CC)CC1	ZINC000050029274	540397524	/nfs/dbraw/zinc/39/75/24/540397524.db2.gz	NDYQRJVRDXNEAZ-NRFANRHFSA-N	2	0	355.526	2.401	20	30		FEEDRP
N#Cc1ccc(C[NH+]2CCC3(CC2)NC(=[NH2+])Nc2nc4ccccc4n23)cc1	ZINC000067963357	541533335	/nfs/dbraw/zinc/53/33/35/541533335.db2.gz	WGXMUHPUYUEBKO-UHFFFAOYSA-N	2	0	371.448	2.406	20	30		FEEDRP
C[C@@H](CC[NH+](C)C)NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1	ZINC000068598734	541613018	/nfs/dbraw/zinc/61/30/18/541613018.db2.gz	VKJPONMQUZLJJS-KRWDZBQOSA-N	2	0	357.502	2.116	20	30		FEEDRP
C[C@@H](CNC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)[N@H+](C)C1CC1	ZINC000105267615	543167468	/nfs/dbraw/zinc/16/74/68/543167468.db2.gz	ZIKVDFLVVJWCGT-INIZCTEOSA-N	2	0	357.502	2.114	20	30		FEEDRP
CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@@H](C)Oc1ccccc1C#N	ZINC000128974452	544083596	/nfs/dbraw/zinc/08/35/96/544083596.db2.gz	NPPCTRIKIZLQTI-IEBWSBKVSA-N	2	0	372.513	2.200	20	30		FEEDRP
C[C@H]1C[C@@H](NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)C[N@@H+]1C1CC1	ZINC000129864871	544130225	/nfs/dbraw/zinc/13/02/25/544130225.db2.gz	UIDFPNKIGVIRDB-QFBILLFUSA-N	2	0	369.513	2.257	20	30		FEEDRP
C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1	ZINC000267272714	550029703	/nfs/dbraw/zinc/02/97/03/550029703.db2.gz	ARIQPXWYALIDMC-GHTZIAJQSA-N	2	0	353.510	2.358	20	30		FEEDRP
OCC[C@H]([NH2+]CC#CC[NH2+][C@@H](CCO)c1ccccc1)c1ccccc1	ZINC000278693267	550811921	/nfs/dbraw/zinc/81/19/21/550811921.db2.gz	SKGYVEQRRSHBOJ-VXKWHMMOSA-N	2	0	352.478	2.416	20	30		FEEDRP
C#CC[NH+]1CCC(C(=O)N2c3ccc(C)cc3[C@H]3C[N@H+](C)CC[C@H]32)CC1	ZINC000280897714	551043570	/nfs/dbraw/zinc/04/35/70/551043570.db2.gz	BKOSMFLUKCNVII-TZIWHRDSSA-N	2	0	351.494	2.475	20	30		FEEDRP
CCOCCCNC(=[NH2+])NC[C@@H]1CCC[N@H+](C)[C@@H]1c1ccc(OC)cc1	ZINC000304757422	553747722	/nfs/dbraw/zinc/74/77/22/553747722.db2.gz	OVPITPQJGBGKJG-PKOBYXMFSA-N	2	0	362.518	2.409	20	30		FEEDRP
C[N@@H+]1CC[C@@H]2CCN(C(=O)NCc3cccc(Cn4ccnc4)c3)[C@@H]2C1	ZINC000329303444	553921348	/nfs/dbraw/zinc/92/13/48/553921348.db2.gz	XHLYROKZVJXDGM-RTBURBONSA-N	2	0	353.470	2.371	20	30		FEEDRP
N#Cc1ncn(CC[NH2+][C@@H]2CCCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)n1	ZINC000376122235	558129734	/nfs/dbraw/zinc/12/97/34/558129734.db2.gz	GHWOMCYEVHSMCF-SLFFLAALSA-N	2	0	364.497	2.430	20	30		FEEDRP
C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CCCN(C2CC[NH+](CC)CC2)CC1	ZINC000420984626	559517568	/nfs/dbraw/zinc/51/75/68/559517568.db2.gz	UAFVGDOUVHAFQJ-IBGZPJMESA-N	2	0	362.562	2.068	20	30		FEEDRP
CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)[C@H]([NH3+])CCCC#N	ZINC000424132693	559655831	/nfs/dbraw/zinc/65/58/31/559655831.db2.gz	IIQIVZURFQARPU-OAHLLOKOSA-N	2	0	356.474	2.338	20	30		FEEDRP
N#Cc1cccc(NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)c1[N+](=O)[O-]	ZINC000450293540	560257467	/nfs/dbraw/zinc/25/74/67/560257467.db2.gz	JZSVAEIIDRNYEK-UHFFFAOYSA-N	2	0	366.425	2.486	20	30		FEEDRP
C=CCOc1ccccc1C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1	ZINC000469867385	560967295	/nfs/dbraw/zinc/96/72/95/560967295.db2.gz	VQCYFDUDDPJNDL-IEBWSBKVSA-N	2	0	357.498	2.332	20	30		FEEDRP
CC(C)[NH2+]CCCNC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1	ZINC000570382925	568481813	/nfs/dbraw/zinc/48/18/13/568481813.db2.gz	VFIQOGCJDNRBFP-UHFFFAOYSA-N	2	0	357.502	2.164	20	30		FEEDRP
CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCC1CCN(CC(F)(F)F)CC1	ZINC000304771925	673020942	/nfs/dbraw/zinc/02/09/42/673020942.db2.gz	AKCSPMPHDIQFRQ-HNNXBMFYSA-N	2	0	363.472	2.039	20	30		FEEDRP
CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]([NH2+]Cc3ccc(C#N)s3)C2)CC[N@@H+]1C	ZINC000999210704	680399143	/nfs/dbraw/zinc/39/91/43/680399143.db2.gz	UUWFXVXJGYOXPM-JCGIZDLHSA-N	2	0	360.527	2.431	20	30		FEEDRP
CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]2C[NH2+]Cc2ccc(C#N)s2)CC[N@@H+]1C	ZINC001045044687	680620127	/nfs/dbraw/zinc/62/01/27/680620127.db2.gz	QZGCFQQLCJKMJL-JCGIZDLHSA-N	2	0	360.527	2.431	20	30		FEEDRP
C[N@@H+]1CCN(CC[NH2+]Cc2cc(C#N)ccc2Br)CC1(C)C	ZINC000922096953	683658440	/nfs/dbraw/zinc/65/84/40/683658440.db2.gz	ATOLOLNMLRAALY-UHFFFAOYSA-N	2	0	365.319	2.436	20	30		FEEDRP
COc1cc(C#N)ccc1OCC[NH+]1CCC(CC[NH+]2CCOCC2)CC1	ZINC000077273291	542360488	/nfs/dbraw/zinc/36/04/88/542360488.db2.gz	OORRFFNGTWRFJR-UHFFFAOYSA-N	2	0	373.497	2.380	20	30		FEEDRP
C=CCNC(=O)NC(=O)[C@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H](C)C1	ZINC000079303682	542511984	/nfs/dbraw/zinc/51/19/84/542511984.db2.gz	LHHKGTVHQRNXOF-SJORKVTESA-N	2	0	372.513	2.408	20	30		FEEDRP
NC(=NOCCOc1ccccc1)c1ccccc1C[NH+]1CCC(O)CC1	ZINC000104054342	543121626	/nfs/dbraw/zinc/12/16/26/543121626.db2.gz	KMGPECQXECXHGD-UHFFFAOYSA-N	2	0	369.465	2.359	20	30		FEEDRP
CCCCNC(=[NH2+])NCc1cccc(OCC[N@H+](C)C2CCOCC2)c1	ZINC000104193188	543126119	/nfs/dbraw/zinc/12/61/19/543126119.db2.gz	XHSXTUHRZQGILS-UHFFFAOYSA-N	2	0	362.518	2.381	20	30		FEEDRP
C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)CC1	ZINC000106334212	543224057	/nfs/dbraw/zinc/22/40/57/543224057.db2.gz	SWFHLDFBGNNERX-FQEVSTJZSA-N	2	0	358.530	2.499	20	30		FEEDRP
C#CC[NH+]1CCC(C(=O)NCC2CC[NH+](Cc3ccccc3F)CC2)CC1	ZINC000107266535	543264230	/nfs/dbraw/zinc/26/42/30/543264230.db2.gz	VPMONYIVUWBMCH-UHFFFAOYSA-N	2	0	371.500	2.499	20	30		FEEDRP
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NC1CC[NH+](C2CC2)CC1	ZINC000045410103	324577575	/nfs/dbraw/zinc/57/75/75/324577575.db2.gz	OWVXWCFTXJNISO-UHFFFAOYSA-N	2	0	369.513	2.258	20	30		FEEDRP
CC[NH+]=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)N1CCN(c2cccs2)CC1	ZINC000262003436	549778802	/nfs/dbraw/zinc/77/88/02/549778802.db2.gz	UYIFXZIASCKPQC-INIZCTEOSA-N	2	0	361.559	2.320	20	30		FEEDRP
C[NH+]1CCN(c2ccc(CNC(=[NH2+])Nc3cc(F)ccc3F)cn2)CC1	ZINC000262255699	549803002	/nfs/dbraw/zinc/80/30/02/549803002.db2.gz	FDJYZYZXEMDNFM-UHFFFAOYSA-N	2	0	360.412	2.038	20	30		FEEDRP
C[NH+]=C(NC[C@@H](O)c1ccc(Cl)cc1)N1CC[C@H](C[NH+]2CCCC2)C1	ZINC000262821673	549853515	/nfs/dbraw/zinc/85/35/15/549853515.db2.gz	YJUGTLRPZDOAOZ-CRAIPNDOSA-N	2	0	364.921	2.367	20	30		FEEDRP
COc1ccc(CNC(=[NH2+])NCc2cccc(C[NH+](C)C)c2)cc1OC	ZINC000264101543	549979015	/nfs/dbraw/zinc/97/90/15/549979015.db2.gz	OEUSSBLIGLLBCG-UHFFFAOYSA-N	2	0	356.470	2.370	20	30		FEEDRP
COC[C@H](C)NC(=[NH2+])NC[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1	ZINC000270535831	550281151	/nfs/dbraw/zinc/28/11/51/550281151.db2.gz	AIZXXADZBLAEEY-GHJWDPDVSA-N	2	0	356.873	2.411	20	30		FEEDRP
N#Cc1cc(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)ccc1F	ZINC000286030319	551840411	/nfs/dbraw/zinc/84/04/11/551840411.db2.gz	PVQPVDHRCYPFRT-UHFFFAOYSA-N	2	0	367.428	2.034	20	30		FEEDRP
C#CC[NH+](C)CCCNC(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000296948880	553233506	/nfs/dbraw/zinc/23/35/06/553233506.db2.gz	QBMNVKQALSDCMU-FQEVSTJZSA-N	2	0	356.514	2.105	20	30		FEEDRP
CN1CCC(CNC(=O)c2cn3c(n2)CCCC3)([NH+]2CCCCC2)CC1	ZINC000328731594	553813663	/nfs/dbraw/zinc/81/36/63/553813663.db2.gz	WZKHROOYBVMSLC-UHFFFAOYSA-N	2	0	359.518	2.474	20	30		FEEDRP
COc1cc(C#N)ccc1OCC[N@@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1	ZINC000375891359	558094613	/nfs/dbraw/zinc/09/46/13/558094613.db2.gz	QMESIMOJQCCGDE-IBGZPJMESA-N	2	0	372.513	2.046	20	30		FEEDRP
C[N@H+](CCCOc1ccc(C#N)cc1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1	ZINC000378296485	558523198	/nfs/dbraw/zinc/52/31/98/558523198.db2.gz	RVUQPXPBKJDTMA-HXUWFJFHSA-N	2	0	356.514	2.427	20	30		FEEDRP
C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]CCNC(=O)C2N=CC=CC2=O)CC1	ZINC000378407806	558549904	/nfs/dbraw/zinc/54/99/04/558549904.db2.gz	XSSWCMQEMACURK-RFGMHMOMSA-N	2	0	360.502	2.146	20	30		FEEDRP
N#Cc1ccc(CN2CCN(C(=O)NCC3([NH3+])CCCCC3)CC2)cc1	ZINC000418299045	559396782	/nfs/dbraw/zinc/39/67/82/559396782.db2.gz	RPAZLSXICVJFFE-UHFFFAOYSA-N	2	0	355.486	2.047	20	30		FEEDRP
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NC[C@@H]1[NH2+]CCCC1(C)C	ZINC000418636383	559408863	/nfs/dbraw/zinc/40/88/63/559408863.db2.gz	IFXKFOWDIQGQMJ-IBGZPJMESA-N	2	0	371.529	2.410	20	30		FEEDRP
N#Cc1ccc(C[N@H+]2CCCN(C(=O)NC[C@@H]3CCC[C@@H]([NH3+])C3)CC2)cc1	ZINC000418707340	559411795	/nfs/dbraw/zinc/41/17/95/559411795.db2.gz	BNWJLNYFHVJBBS-WOJBJXKFSA-N	2	0	369.513	2.293	20	30		FEEDRP
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@H+]1CC	ZINC000437986890	559972590	/nfs/dbraw/zinc/97/25/90/559972590.db2.gz	NSQZRUYYKONAFN-OTWHNJEPSA-N	2	0	366.550	2.025	20	30		FEEDRP
C=C(C)C[NH+]1CCC(NC(=O)N2CC[C@H](OCC[NH+](CC)CC)C2)CC1	ZINC000473004832	561040055	/nfs/dbraw/zinc/04/00/55/561040055.db2.gz	XUGZKJKCGOHQJA-IBGZPJMESA-N	2	0	366.550	2.169	20	30		FEEDRP
CC(C)[N@H+](C)CC1CC[NH+](CC#CCN2C(=O)c3ccccc3C2=O)CC1	ZINC000528371110	562325485	/nfs/dbraw/zinc/32/54/85/562325485.db2.gz	IXPFJQLJWXVTPC-UHFFFAOYSA-N	2	0	367.493	2.338	20	30		FEEDRP
C[NH+]=C(NC[C@H](c1cccs1)N(C)C)N1CC[C@@H]([NH+]2CCCCC2)C1	ZINC000262489987	672916956	/nfs/dbraw/zinc/91/69/56/672916956.db2.gz	UPVBVXAMYNKLIP-IAGOWNOFSA-N	2	0	363.575	2.486	20	30		FEEDRP
CC[NH+](CC)CCOc1ccc(C[NH+]=C(N(C)C)N(C)C)cc1OC	ZINC000303904824	673019382	/nfs/dbraw/zinc/01/93/82/673019382.db2.gz	VDTQGTYGAVNKDM-UHFFFAOYSA-N	2	0	350.507	2.395	20	30		FEEDRP
C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1cc(F)c(C#N)c(F)c1	ZINC000597218902	673457797	/nfs/dbraw/zinc/45/77/97/673457797.db2.gz	MDZWKMNSQHNPIM-UHFFFAOYSA-N	2	0	352.429	2.182	20	30		FEEDRP
C[C@@H]1[C@H](C(=O)N2CCC[C@H]([NH+](C)Cc3ccc(C#N)s3)C2)CC[N@@H+]1C	ZINC001027417402	680356431	/nfs/dbraw/zinc/35/64/31/680356431.db2.gz	XPJIHWTVWLKORL-RVKKMQEKSA-N	2	0	360.527	2.383	20	30		FEEDRP
CN1CC[NH+](CCCC[NH2+]Cc2cc(C#N)ccc2Br)CC1	ZINC000921528394	683493497	/nfs/dbraw/zinc/49/34/97/683493497.db2.gz	UHOLWFUXMHVICL-UHFFFAOYSA-N	2	0	365.319	2.438	20	30		FEEDRP
C#CC[NH+]1CCC(C(=O)N(C)C2CC[NH+](CCC(F)(F)F)CC2)CC1	ZINC000863923715	683788420	/nfs/dbraw/zinc/78/84/20/683788420.db2.gz	CDZVKZLQOFTTKU-UHFFFAOYSA-N	2	0	359.436	2.207	20	30		FEEDRP
C[NH+](C)C[C@@H]1CN(c2cc(C(F)(F)F)cc(C#N)n2)C[C@H]1C[NH+](C)C	ZINC000866010219	684060243	/nfs/dbraw/zinc/06/02/43/684060243.db2.gz	HWNHXBZSYXOYIT-CHWSQXEVSA-N	2	0	355.408	2.148	20	30		FEEDRP
C[NH+](C)C[C@@H]1CN(c2ccc(Br)cc2C#N)C[C@H]1C[NH+](C)C	ZINC000866012932	684060482	/nfs/dbraw/zinc/06/04/82/684060482.db2.gz	WPRYIMHDLYMAJQ-HUUCEWRRSA-N	2	0	365.319	2.496	20	30		FEEDRP
CCCC[C@H](ON=C(C)C)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1	ZINC000870021538	684675446	/nfs/dbraw/zinc/67/54/46/684675446.db2.gz	HGDVCZWUBYLBQK-KURKYZTESA-N	2	0	354.539	2.155	20	30		FEEDRP
CC[NH+](CC)CCNC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1	ZINC000053954732	540560557	/nfs/dbraw/zinc/56/05/57/540560557.db2.gz	XSHQBMIBRFCFIB-UHFFFAOYSA-N	2	0	357.502	2.117	20	30		FEEDRP
CN1CCC(CNC(=O)Cc2ccc(C#N)cc2)([NH+]2CCCCC2)CC1	ZINC000172749052	546266508	/nfs/dbraw/zinc/26/65/08/546266508.db2.gz	ZLFQSRPZTLPRBR-UHFFFAOYSA-N	2	0	354.498	2.167	20	30		FEEDRP
CC[N@@H+]1CCC[C@H]1CNC(=O)N1CCC[NH+](Cc2ccc(C#N)cc2)CC1	ZINC000175387021	546309643	/nfs/dbraw/zinc/30/96/43/546309643.db2.gz	YSRXGEAEUHUCSB-FQEVSTJZSA-N	2	0	369.513	2.260	20	30		FEEDRP
N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]CCCC[NH+]1CCN(CCO)CC1	ZINC000481662107	561238156	/nfs/dbraw/zinc/23/81/56/561238156.db2.gz	UUQAWIHBGVDXST-JOCHJYFZSA-N	2	0	370.541	2.305	20	30		FEEDRP
Cn1cc(C[NH2+]CCN2CCC([NH+](C)C)CC2)c(-c2ccc(C#N)cc2)n1	ZINC000180280015	547078965	/nfs/dbraw/zinc/07/89/65/547078965.db2.gz	BGKNLOAFEUZSGD-UHFFFAOYSA-N	2	0	366.513	2.074	20	30		FEEDRP
COCCN1CCC[C@@H]1C[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1	ZINC000181674895	547357973	/nfs/dbraw/zinc/35/79/73/547357973.db2.gz	GOBYJLMYPLTKQL-OAQYLSRUSA-N	2	0	356.514	2.223	20	30		FEEDRP
C=C(C)CS(=O)(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1	ZINC000189768293	548311434	/nfs/dbraw/zinc/31/14/34/548311434.db2.gz	FXYSBLFRXXLCOB-ROUUACIJSA-N	2	0	357.564	2.161	20	30		FEEDRP
C[C@@H]1C[N@@H+](CC2CC[NH+](C[C@@H](O)c3ccc(C#N)cc3)CC2)C[C@H](C)O1	ZINC000245964709	549029507	/nfs/dbraw/zinc/02/95/07/549029507.db2.gz	DKICVMALNOAQIW-LLGFUMIMSA-N	2	0	357.498	2.413	20	30		FEEDRP
CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1cc(Cl)c2c(c1)OCCCO2	ZINC000263244091	549888422	/nfs/dbraw/zinc/88/84/22/549888422.db2.gz	MDVFZMCBQHKTMS-AWEZNQCLSA-N	2	0	366.893	2.390	20	30		FEEDRP
C#CC[NH+]1CCC(C(=O)N(Cc2ccncc2)C[C@@H]2CCC[N@H+]2CC)CC1	ZINC000264564879	549997872	/nfs/dbraw/zinc/99/78/72/549997872.db2.gz	RFEJNPKVPNCIEM-NRFANRHFSA-N	2	0	368.525	2.240	20	30		FEEDRP
COC[C@H](C)NC(=[NH2+])NC[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1	ZINC000270535828	550281067	/nfs/dbraw/zinc/28/10/67/550281067.db2.gz	AIZXXADZBLAEEY-DETPVDSQSA-N	2	0	356.873	2.411	20	30		FEEDRP
N#Cc1ccc(C[NH+]2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)cc1	ZINC000289951238	552404603	/nfs/dbraw/zinc/40/46/03/552404603.db2.gz	XXONVGTXIANEIB-UHFFFAOYSA-N	2	0	354.498	2.372	20	30		FEEDRP
C=CCc1ccc(OC[C@@H](O)CN2CC[C@@]3(CC[N@H+](C)C3)C2)c(OC)c1	ZINC000292147857	552698469	/nfs/dbraw/zinc/69/84/69/552698469.db2.gz	NEANFMYYSNLOKG-GHTZIAJQSA-N	2	0	360.498	2.191	20	30		FEEDRP
N#Cc1ccc(NC(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)cc1	ZINC000299553514	553580189	/nfs/dbraw/zinc/58/01/89/553580189.db2.gz	LQBDIDAPTNAOQD-UHFFFAOYSA-N	2	0	364.453	2.287	20	30		FEEDRP
CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CCc1ccc(C#N)cc1	ZINC000505755125	561679376	/nfs/dbraw/zinc/67/93/76/561679376.db2.gz	PZXSBUJPYUXHJM-HXUWFJFHSA-N	2	0	356.514	2.365	20	30		FEEDRP
CC[N@@H+]1C[C@H](C)N(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)C[C@@H]1C	ZINC000329020548	553866034	/nfs/dbraw/zinc/86/60/34/553866034.db2.gz	HSGSNNPLYUDULY-DKKFBQAASA-N	2	0	366.550	2.083	20	30		FEEDRP
C=CC[NH+]1CCC(NC(=O)N(C)C2CC[NH+](Cc3ccncc3)CC2)CC1	ZINC000364193004	555267008	/nfs/dbraw/zinc/26/70/08/555267008.db2.gz	VEHYKVZKPIEIKM-UHFFFAOYSA-N	2	0	371.529	2.338	20	30		FEEDRP
C#CC[NH+]1CCC(C(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)CC1	ZINC000365746077	555658075	/nfs/dbraw/zinc/65/80/75/555658075.db2.gz	HVMLIRBOLWADCY-FCHUYYIVSA-N	2	0	365.521	2.312	20	30		FEEDRP
C[C@@H]1C[C@H]([NH+]2CCCC2)CN1CC#CCN1C[C@H]([NH+]2CCCC2)C[C@@H]1C	ZINC000375795202	558080821	/nfs/dbraw/zinc/08/08/21/558080821.db2.gz	WJJCAPWOXDXKCW-ZDNVTZCJSA-N	2	0	358.574	2.107	20	30		FEEDRP
N#Cc1ccc(CN2CCC([NH2+][C@H]3CCO[C@@]4(CCOC4)C3)CC2)cc1	ZINC000376163161	558135416	/nfs/dbraw/zinc/13/54/16/558135416.db2.gz	QOANBAQMKDQNOO-SFTDATJTSA-N	2	0	355.482	2.450	20	30		FEEDRP
C[C@H]1CN(C(=O)Nc2ccc(CC#N)cc2)CCN1C1CC[NH+](C)CC1	ZINC000376810608	558224457	/nfs/dbraw/zinc/22/44/57/558224457.db2.gz	JPCXFRLDHKBAHI-INIZCTEOSA-N	2	0	355.486	2.385	20	30		FEEDRP
C[C@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)[C@H]1CCC[NH2+]C1	ZINC000418331937	559397842	/nfs/dbraw/zinc/39/78/42/559397842.db2.gz	CWUPZHAAGKTXLP-LPHOPBHVSA-N	2	0	357.502	2.020	20	30		FEEDRP
C[C@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)[C@@H]1CCC[NH2+]C1	ZINC000418331938	559397940	/nfs/dbraw/zinc/39/79/40/559397940.db2.gz	CWUPZHAAGKTXLP-QFBILLFUSA-N	2	0	357.502	2.020	20	30		FEEDRP
CC[NH+]1CCC(N2CCC[N@H+](CCOc3cccc(C#N)c3)CC2)CC1	ZINC000420977045	559516666	/nfs/dbraw/zinc/51/66/66/559516666.db2.gz	HOQQPHGLCNEDKH-UHFFFAOYSA-N	2	0	356.514	2.429	20	30		FEEDRP
COc1ccc(C[NH+]2CCC(CNC(=O)[C@H]([NH3+])CCCC#N)CC2)cc1	ZINC000424156167	559656491	/nfs/dbraw/zinc/65/64/91/559656491.db2.gz	NSQBFXGPYJNOBV-LJQANCHMSA-N	2	0	358.486	2.045	20	30		FEEDRP
CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(N2CCSCC2)cc1	ZINC000104173911	670790358	/nfs/dbraw/zinc/79/03/58/670790358.db2.gz	HAMRUMDETFXOQQ-GOSISDBHSA-N	2	0	361.559	2.128	20	30		FEEDRP
CC[NH+](CC)C[C@@H]1CCN(C(N[C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)=[NH+]C)C1	ZINC000262388173	672914749	/nfs/dbraw/zinc/91/47/49/672914749.db2.gz	LSALLIBZQNWTPG-FJIDUMEYSA-N	2	0	350.551	2.429	20	30		FEEDRP
C[C@@H]1C[N@@H+](Cc2ccc(CNC(=[NH2+])N3CCSCC3)cc2)C[C@H](C)O1	ZINC000303899836	673018507	/nfs/dbraw/zinc/01/85/07/673018507.db2.gz	RTUCMSRUTBUDDU-IYBDPMFKSA-N	2	0	362.543	2.159	20	30		FEEDRP
COCC[N@@H+]1CCC[C@H]1CNC(=[NH2+])Nc1ccc(OC(F)(F)F)cc1	ZINC000303979229	673019599	/nfs/dbraw/zinc/01/95/99/673019599.db2.gz	MXUCMFWXFQRBGJ-ZDUSSCGKSA-N	2	0	360.380	2.423	20	30		FEEDRP
C=CCOc1c(Cl)cc(C[NH2+]CC2(O)CC[NH+](C)CC2)cc1OC	ZINC000623428717	676534741	/nfs/dbraw/zinc/53/47/41/676534741.db2.gz	XKANPKRAFVKPRD-UHFFFAOYSA-N	2	0	354.878	2.460	20	30		FEEDRP
C=CCC1([NH2+]CC(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)CCCCC1	ZINC000625937775	676678999	/nfs/dbraw/zinc/67/89/99/676678999.db2.gz	SZYVEMHZWCLDNP-SFHVURJKSA-N	2	0	351.535	2.328	20	30		FEEDRP
CCc1cccc(NC(=[NH2+])NCc2ccnc(N3CC[NH+](C)CC3)c2)c1	ZINC000104163562	543125427	/nfs/dbraw/zinc/12/54/27/543125427.db2.gz	LVMKWAMZOAQYDP-UHFFFAOYSA-N	2	0	352.486	2.323	20	30		FEEDRP
C=C(C)C[NH+]1CCC(NC(=O)NCc2cccc(OCC[NH+](C)C)c2)CC1	ZINC000106262927	543221583	/nfs/dbraw/zinc/22/15/83/543221583.db2.gz	OTXGJAHGSQYTGJ-UHFFFAOYSA-N	2	0	374.529	2.467	20	30		FEEDRP
N#Cc1ccc(CN2CCCN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)CC2)cc1	ZINC000123055474	543740315	/nfs/dbraw/zinc/74/03/15/543740315.db2.gz	ZEXQOSXGNKGGOM-NRFANRHFSA-N	2	0	366.509	2.467	20	30		FEEDRP
CCO[C@@H](CC[NH+](C)C)C[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1	ZINC000181874912	327750264	/nfs/dbraw/zinc/75/02/64/327750264.db2.gz	XLAWOZHRWUIVDQ-NRFANRHFSA-N	2	0	358.530	2.469	20	30		FEEDRP
N#Cc1ccc2ncc(C[NH+]3CCC(OCC[NH+]4CCCC4)CC3)n2c1	ZINC000093735001	325446821	/nfs/dbraw/zinc/44/68/21/325446821.db2.gz	JJLHSMGGCIJBLW-UHFFFAOYSA-N	2	0	353.470	2.283	20	30		FEEDRP
N#Cc1ccc(NC(=O)CC[NH+]2CCC(OCC[NH+]3CCCC3)CC2)cc1	ZINC000174239684	327315191	/nfs/dbraw/zinc/31/51/91/327315191.db2.gz	AKUMADBDVZLTQC-UHFFFAOYSA-N	2	0	370.497	2.464	20	30		FEEDRP
C[C@H]1C[NH+](CC2CC[NH+](C[C@H](O)c3ccc(C#N)cc3)CC2)C[C@H](C)O1	ZINC000156031264	545593549	/nfs/dbraw/zinc/59/35/49/545593549.db2.gz	DKICVMALNOAQIW-FIKGOQFSSA-N	2	0	357.498	2.413	20	30		FEEDRP
C[NH+]=C(NCc1cn2c(n1)CCCC2)N1CC[C@H](C)[C@H](n2ccnc2)C1	ZINC000262014481	549779458	/nfs/dbraw/zinc/77/94/58/549779458.db2.gz	XKYQYUQAVIWUGO-DOTOQJQBSA-N	2	0	355.490	2.074	20	30		FEEDRP
C[NH+]=C(NCc1c(C)nn(C)c1C)NC[C@@H](C)N1CCc2sccc2C1	ZINC000262773370	549848681	/nfs/dbraw/zinc/84/86/81/549848681.db2.gz	HRDOXEKOYCGEDR-CYBMUJFWSA-N	2	0	374.558	2.210	20	30		FEEDRP
CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCC1(c2ccc(F)cc2)CCOCC1	ZINC000264098706	549978931	/nfs/dbraw/zinc/97/89/31/549978931.db2.gz	NJIAKZQJHPLHGM-SFHVURJKSA-N	2	0	362.493	2.263	20	30		FEEDRP
C[C@H]([NH2+]CCNC(=O)C1N=CC=CC1=O)[C@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000272562262	550458131	/nfs/dbraw/zinc/45/81/31/550458131.db2.gz	GUMVMTXFDOQYMW-HTXRYDERSA-N	2	0	368.481	2.013	20	30		FEEDRP
CC(C)[NH+]1CCC(O)(C[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)CC1	ZINC000285893208	551824412	/nfs/dbraw/zinc/82/44/12/551824412.db2.gz	CJBNTSQPWIUTCO-UHFFFAOYSA-N	2	0	356.514	2.352	20	30		FEEDRP
N#Cc1ccc(NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)cc1[N+](=O)[O-]	ZINC000290549553	552496708	/nfs/dbraw/zinc/49/67/08/552496708.db2.gz	JHCJSISRCKRBMM-UHFFFAOYSA-N	2	0	366.425	2.486	20	30		FEEDRP
C#CC[N@H+](C)CCCNC(=O)NCc1ccc(N2CCCCCC2)nc1	ZINC000296350219	553145784	/nfs/dbraw/zinc/14/57/84/553145784.db2.gz	NTEPYVWOYSLAHM-UHFFFAOYSA-N	2	0	357.502	2.216	20	30		FEEDRP
C#CC[NH+](C)CCCNC(=O)N(Cc1ccncc1)C[C@H]1CCC[N@H+]1CC	ZINC000297514481	553302711	/nfs/dbraw/zinc/30/27/11/553302711.db2.gz	PLCXCXGOVASATM-HXUWFJFHSA-N	2	0	371.529	2.033	20	30		FEEDRP
C=CC[NH+](CC=C)[C@H](CNC(=O)NC1CC[NH+](CCOC)CC1)C(C)C	ZINC000299256345	553537877	/nfs/dbraw/zinc/53/78/77/553537877.db2.gz	RUYDMMHPPXPYOG-LJQANCHMSA-N	2	0	366.550	2.095	20	30		FEEDRP
C#CC[NH+]1CCC(C(=O)N(CCCc2ccccc2)CC[NH+](C)C)CC1	ZINC000299576771	553583741	/nfs/dbraw/zinc/58/37/41/553583741.db2.gz	CMCGLXHHOBDJFW-UHFFFAOYSA-N	2	0	355.526	2.355	20	30		FEEDRP
COc1cc(C[NH2+]C[C@H]2CCCN(C)[C@@H]2c2cnn(C)c2)ccc1C#N	ZINC000366929028	555973862	/nfs/dbraw/zinc/97/38/62/555973862.db2.gz	XZIZRESRAATVFH-XLIONFOSSA-N	2	0	353.470	2.473	20	30		FEEDRP
C#CC[NH+]1CCC(C(=O)NCC2CC[NH+](CCc3ccccc3)CC2)CC1	ZINC000368878615	556436833	/nfs/dbraw/zinc/43/68/33/556436833.db2.gz	VCHOXNIBKWGJRD-UHFFFAOYSA-N	2	0	367.537	2.403	20	30		FEEDRP
C[NH+](CC#CC[N@@H+](C)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C	ZINC000375472061	558033289	/nfs/dbraw/zinc/03/32/89/558033289.db2.gz	NAJNLXNPHJUIJC-GTYQWKCWSA-N	2	0	360.542	2.480	20	30		FEEDRP
CC(C)C[C@H](C[NH3+])NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1	ZINC000418439031	559401694	/nfs/dbraw/zinc/40/16/94/559401694.db2.gz	JKNTZZWEUAPNQC-LJQANCHMSA-N	2	0	357.502	2.149	20	30		FEEDRP
N#Cc1ccc(C[N@H+]2CCCN(C(=O)NC[C@H]3CCC[C@H]([NH3+])C3)CC2)cc1	ZINC000418707337	559411760	/nfs/dbraw/zinc/41/17/60/559411760.db2.gz	BNWJLNYFHVJBBS-PMACEKPBSA-N	2	0	369.513	2.293	20	30		FEEDRP
C=C(C)C[NH+]1CCC(NC(=O)NCC2(SC)CC[NH+](C)CC2)CC1	ZINC000575226042	671306235	/nfs/dbraw/zinc/30/62/35/671306235.db2.gz	KLZCGAUOQFDVKK-UHFFFAOYSA-N	2	0	354.564	2.154	20	30		FEEDRP
CC[NH+]=C(NC[C@@H]1CCC[N@H+](CC(C)C)C1)N1CC[C@]2(CCOC2)C1	ZINC000158085005	672265832	/nfs/dbraw/zinc/26/58/32/672265832.db2.gz	KCOQBOPEPCMKFS-ICSRJNTNSA-N	2	0	350.551	2.432	20	30		FEEDRP
C[NH+]=C(NCC1([NH+]2CCSCC2)CCCC1)NC[C@]1(C)CCCO1	ZINC000261837182	672903985	/nfs/dbraw/zinc/90/39/85/672903985.db2.gz	WEMBABCBGXTCRT-KRWDZBQOSA-N	2	0	354.564	2.082	20	30		FEEDRP
C[NH+]=C(NCC1([NH+]2CCCC2)CCOCC1)N1CCS[C@@H](C(C)C)C1	ZINC000261853706	672904544	/nfs/dbraw/zinc/90/45/44/672904544.db2.gz	YJACMSAKLYXNRG-QGZVFWFLSA-N	2	0	368.591	2.280	20	30		FEEDRP
C[NH+]=C(NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1)N1CCC(O)CC1	ZINC000262355636	672913903	/nfs/dbraw/zinc/91/39/03/672913903.db2.gz	FUOZMBQOZYQJEM-YOEHRIQHSA-N	2	0	350.532	2.163	20	30		FEEDRP
CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H]1CCC[NH+](Cc2cccs2)C1	ZINC000303906364	673019213	/nfs/dbraw/zinc/01/92/13/673019213.db2.gz	ZXJGRDKBFHWBPL-SJORKVTESA-N	3	0	363.575	2.349	20	30		FEEDRP
C=CC[NH+](CC=C)[C@@H](CNC(=S)NCC1CC[NH+](C)CC1)C(C)C	ZINC000760466273	680688518	/nfs/dbraw/zinc/68/85/18/680688518.db2.gz	DLHXHMKVXLKUQL-SFHVURJKSA-N	2	0	352.592	2.491	20	30		FEEDRP
CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](C[NH2+]Cc3ccc(C#N)s3)C2)CC[N@@H+]1C	ZINC001026855357	680351788	/nfs/dbraw/zinc/35/17/88/680351788.db2.gz	FHRTYXTXIIKJLI-JCGIZDLHSA-N	2	0	360.527	2.288	20	30		FEEDRP
C[C@@H]1[C@H](C(=O)N(C)C2CC[NH+](Cc3ccc(C#N)s3)CC2)CC[N@@H+]1C	ZINC001005407124	680574534	/nfs/dbraw/zinc/57/45/34/680574534.db2.gz	MFPRUUISPNIHEU-RDTXWAMCSA-N	2	0	360.527	2.383	20	30		FEEDRP
C=C(Cl)C[C@H]([NH3+])C(=O)Nc1ccc(C(=O)OC2CC[NH2+]CC2)cc1	ZINC000876518190	686214337	/nfs/dbraw/zinc/21/43/37/686214337.db2.gz	CKQRWDLFLWYCMK-HNNXBMFYSA-N	2	0	351.834	2.004	20	30		FEEDRP
C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@H](c1cccc(OC)c1)[NH+]1CCCC1	ZINC000876709278	686249127	/nfs/dbraw/zinc/24/91/27/686249127.db2.gz	NYODVIVEZBDYDY-DLBZAZTESA-N	2	0	351.878	2.418	20	30		FEEDRP
C=C(Cl)C[C@@H]([NH3+])C(=O)NCc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1	ZINC000876719814	686252805	/nfs/dbraw/zinc/25/28/05/686252805.db2.gz	WEMOIUDNWXEEGZ-RVKKMQEKSA-N	2	0	365.905	2.382	20	30		FEEDRP
C=C(Cl)C[C@@H]([NH3+])C(=O)Nc1cccc(C(=O)NCC[NH+](CC)CC)c1	ZINC000876722049	686252819	/nfs/dbraw/zinc/25/28/19/686252819.db2.gz	ZUOLMZYJIVWSOY-MRXNPFEDSA-N	2	0	366.893	2.167	20	30		FEEDRP
C#CC[NH+]1CCC(C(=O)N2CCC[N@@H+](Cc3ccc(OC)cc3)CC2)CC1	ZINC000057152821	540773628	/nfs/dbraw/zinc/77/36/28/540773628.db2.gz	XRNKEQMWBPMKMA-UHFFFAOYSA-N	2	0	369.509	2.075	20	30		FEEDRP
C=CC[NH+]1CCC(NC(=O)NCC2CCN(c3cc[nH+]cc3)CC2)CC1	ZINC000093126411	542910006	/nfs/dbraw/zinc/91/00/06/542910006.db2.gz	MGNYZNNFSCYSAI-UHFFFAOYSA-N	2	0	357.502	2.248	20	30		FEEDRP
C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1	ZINC000268170401	329393074	/nfs/dbraw/zinc/39/30/74/329393074.db2.gz	QMKZAXZEYAZGLK-OXJNMPFZSA-N	2	0	369.513	2.114	20	30		FEEDRP
Cc1nccn1CCCCN1CCN(Cc2ccc(C#N)cc2)C(=O)C1	ZINC000367208170	330230108	/nfs/dbraw/zinc/23/01/08/330230108.db2.gz	HWOOSKKKJNPYMW-UHFFFAOYSA-N	2	0	351.454	2.188	20	30		FEEDRP
CN1CCC[N@H+](CCCNC(=[NH2+])Nc2ccccc2OC(F)(F)F)CC1	ZINC000160704574	546065311	/nfs/dbraw/zinc/06/53/11/546065311.db2.gz	OVZZVIQICPVGKL-UHFFFAOYSA-N	2	0	373.423	2.339	20	30		FEEDRP
COc1ccc(N2CC[NH+](CCCNC(=[NH2+])Nc3ccccn3)CC2)cc1	ZINC000170908668	546181750	/nfs/dbraw/zinc/18/17/50/546181750.db2.gz	WFORTFULIRRNMD-UHFFFAOYSA-N	2	0	368.485	2.029	20	30		FEEDRP
CN1CC[N@H+](CCCNC(=[NH2+])Nc2ccccn2)[C@H](c2ccccc2)C1	ZINC000170913743	546182355	/nfs/dbraw/zinc/18/23/55/546182355.db2.gz	BCIWIUBWMARZIH-SFHVURJKSA-N	2	0	352.486	2.187	20	30		FEEDRP
[NH2+]=C(NCCCN1CC[NH+](Cc2ccccc2)CC1)Nc1ccccn1	ZINC000170913754	546182543	/nfs/dbraw/zinc/18/25/43/546182543.db2.gz	UWOFSUPLOHZMRY-UHFFFAOYSA-N	2	0	352.486	2.016	20	30		FEEDRP
C=C(C)C[NH+]1CCC(NC(=O)N2CCC(OCCC[NH+](C)C)CC2)CC1	ZINC000175740047	546342104	/nfs/dbraw/zinc/34/21/04/546342104.db2.gz	YLOKZQPGLQSIQZ-UHFFFAOYSA-N	2	0	366.550	2.169	20	30		FEEDRP
COc1ccc(C[NH2+]Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)cc1C#N	ZINC000180997389	547227296	/nfs/dbraw/zinc/22/72/96/547227296.db2.gz	FDLATKATPKXRKH-FQEVSTJZSA-N	2	0	351.450	2.423	20	30		FEEDRP
C[NH+]=C(N[C@H]1C[C@](C)(OC)C1(C)C)NC1CC[NH+](Cc2ccccn2)CC1	ZINC000262371058	549814946	/nfs/dbraw/zinc/81/49/46/549814946.db2.gz	IPHHUVNJXLBMBC-RXVVDRJESA-N	2	0	373.545	2.415	20	30		FEEDRP
C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)CC1	ZINC000264344630	549994431	/nfs/dbraw/zinc/99/44/31/549994431.db2.gz	WBFMFLWSKOWUFB-FQEVSTJZSA-N	2	0	353.510	2.012	20	30		FEEDRP
C[C@@H]([NH2+]CCCCC#N)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1	ZINC000268959601	550137393	/nfs/dbraw/zinc/13/73/93/550137393.db2.gz	ZNDHLPWZTDJGHQ-MRXNPFEDSA-N	2	0	366.531	2.261	20	30		FEEDRP
C#CC[NH+]1CCC(C(=O)N[C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1	ZINC000272300383	550435624	/nfs/dbraw/zinc/43/56/24/550435624.db2.gz	POOYRJOBGWFPSW-RXVVDRJESA-N	2	0	353.510	2.358	20	30		FEEDRP
N#Cc1ccc(N2CCC([NH2+]C3CC[NH+]([C@H]4CCC[C@@H]4O)CC3)CC2)cc1	ZINC000286096611	551848400	/nfs/dbraw/zinc/84/84/00/551848400.db2.gz	MIQLYVFKMZVUBN-VXKWHMMOSA-N	2	0	368.525	2.494	20	30		FEEDRP
[NH2+]=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)Nc1cc(F)ccc1F	ZINC000288727085	552201690	/nfs/dbraw/zinc/20/16/90/552201690.db2.gz	MVJCWIZHXMYQIU-UHFFFAOYSA-N	3	0	374.439	2.299	20	30		FEEDRP
COc1ccc(C[N@H+](C)CCCN2CC[NH+](C)CC2)cc1OCCCC#N	ZINC000289467646	552326131	/nfs/dbraw/zinc/32/61/31/552326131.db2.gz	PCJJLSKTQYADGL-UHFFFAOYSA-N	2	0	374.529	2.447	20	30		FEEDRP
CC[N@@H+]1CCC[C@@H](CNC(=O)NC2CC[NH+](Cc3ccncc3)CC2)C1	ZINC000328729332	553813691	/nfs/dbraw/zinc/81/36/91/553813691.db2.gz	WBNMXKDOHLCRFM-SFHVURJKSA-N	2	0	359.518	2.282	20	30		FEEDRP
CN(CC(=O)NC1CC[NH+](C2CC2)CC1)[C@H]1CCN(c2ccccc2)C1=O	ZINC000329198006	553900368	/nfs/dbraw/zinc/90/03/68/553900368.db2.gz	AFYFYZXTBNPCLE-IBGZPJMESA-N	2	0	370.497	2.307	20	30		FEEDRP
C[C@H](O)C[N@@H+]1CCN(C(=O)NC[C@@H]2CCC[NH+]2C2CCCCC2)[C@@H](C)C1	ZINC000329396343	553938299	/nfs/dbraw/zinc/93/82/99/553938299.db2.gz	VZRJPSVQVKKLAT-LNLFQRSKSA-N	2	0	366.550	2.084	20	30		FEEDRP
C[C@H]1CN(C(=O)Nc2ccc(F)cc2C#N)CCN1C1CC[NH+](C)CC1	ZINC000367444268	556050553	/nfs/dbraw/zinc/05/05/53/556050553.db2.gz	AUUZBQQGDNSUHJ-AWEZNQCLSA-N	2	0	359.449	2.330	20	30		FEEDRP
Cc1cc(NC(=O)[C@@H]([NH3+])CCCC#N)cc(N2CC[NH+](C(C)C)CC2)c1	ZINC000515840615	562023297	/nfs/dbraw/zinc/02/32/97/562023297.db2.gz	UYAHEOLETSPWKX-IBGZPJMESA-N	2	0	357.502	2.485	20	30		FEEDRP
C[C@H](C(=O)NC1(C#N)CCC1)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1	ZINC000519235132	562127732	/nfs/dbraw/zinc/12/77/32/562127732.db2.gz	YLIQVPNHVPVVII-YZGWKJHDSA-N	2	0	366.509	2.391	20	30		FEEDRP
C[C@@H]1C[N@H+](CCCOc2cccc(C#N)c2)CCN1C1CC[NH+](C)CC1	ZINC000374602552	557905491	/nfs/dbraw/zinc/90/54/91/557905491.db2.gz	IFJHEHSFRJMBJY-GOSISDBHSA-N	2	0	356.514	2.427	20	30		FEEDRP
C(#CCN1CCC[C@H]1C[NH+]1CCCC1)CN1CCC[C@H]1C[NH+]1CCCC1	ZINC000375385651	558018759	/nfs/dbraw/zinc/01/87/59/558018759.db2.gz	AMORFKHRJJPLCW-VXKWHMMOSA-N	2	0	358.574	2.110	20	30		FEEDRP
N#Cc1ncn(CC[NH2+][C@@H]2CCCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)n1	ZINC000376122237	558129831	/nfs/dbraw/zinc/12/98/31/558129831.db2.gz	GHWOMCYEVHSMCF-XUVXKRRUSA-N	2	0	364.497	2.430	20	30		FEEDRP
C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2Cc1nnc(-c2ccc(C#N)cc2)o1	ZINC000378245684	558510329	/nfs/dbraw/zinc/51/03/29/558510329.db2.gz	CUAJVGIVBBGRLP-SQNIBIBYSA-N	2	0	367.453	2.292	20	30		FEEDRP
COc1cc(C[NH2+]CCN2CC[NH+](Cc3ccccc3)CC2)ccc1C#N	ZINC000390854676	558612822	/nfs/dbraw/zinc/61/28/22/558612822.db2.gz	FYPQXJUQPHXABE-UHFFFAOYSA-N	2	0	364.493	2.474	20	30		FEEDRP
CN(C[C@H]1CCC[NH+]1C)c1nc(N(C)C[C@@H]2CCC[N@@H+]2C)ccc1C#N	ZINC000420645137	559495067	/nfs/dbraw/zinc/49/50/67/559495067.db2.gz	ZWQMRLBMNLEGMG-ZWKOTPCHSA-N	2	0	356.518	2.014	20	30		FEEDRP
O[C@@H]1CCC[C@@H]1[C@@H]1CCC[N@@H+]1CC#CC[NH+]1CCC[C@@H]1[C@@H]1CCC[C@H]1O	ZINC000451414496	560305656	/nfs/dbraw/zinc/30/56/56/560305656.db2.gz	DDBXFMYWJUSBKQ-VFPNFYTQSA-N	2	0	360.542	2.241	20	30		FEEDRP
CC(=O)N1CCC[N@H+](C[C@@H]2CCCN(Cc3cc(C#N)ccc3F)C2)CC1	ZINC000451541691	560313252	/nfs/dbraw/zinc/31/32/52/560313252.db2.gz	ZWQKAHBKUOWABO-IBGZPJMESA-N	2	0	372.488	2.464	20	30		FEEDRP
C#CCOc1ccc([C@@H](C)[NH2+]C[C@H](N2CC[NH2+]CC2)C(F)(F)F)cc1	ZINC000817971599	675188450	/nfs/dbraw/zinc/18/84/50/675188450.db2.gz	FVQVRCXOFVLPEM-PBHICJAKSA-N	2	0	355.404	2.185	20	30		FEEDRP
C=C(C)C[NH+]1CCC(NC(=O)N2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)CC1	ZINC000626970748	676731579	/nfs/dbraw/zinc/73/15/79/676731579.db2.gz	RSPUZGLUQLJFAR-HIFRSBDPSA-N	2	0	362.440	2.196	20	30		FEEDRP
C[C@@H]1[C@H](C(=O)N2CCC[C@@H]([NH+](C)Cc3ccc(C#N)s3)C2)CC[N@@H+]1C	ZINC001027417401	680356316	/nfs/dbraw/zinc/35/63/16/680356316.db2.gz	XPJIHWTVWLKORL-IIDMSEBBSA-N	2	0	360.527	2.383	20	30		FEEDRP
CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CC[NH+](Cc3ccc(C#N)s3)C2)CC[N@@H+]1C	ZINC001028552568	680375671	/nfs/dbraw/zinc/37/56/71/680375671.db2.gz	QHSGVMKXNASANO-JCGIZDLHSA-N	2	0	360.527	2.288	20	30		FEEDRP
CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]([NH2+]Cc3ccc(C#N)s3)C2)CC[N@@H+]1C	ZINC000999210681	680399265	/nfs/dbraw/zinc/39/92/65/680399265.db2.gz	UUWFXVXJGYOXPM-FHLIZLRMSA-N	2	0	360.527	2.431	20	30		FEEDRP
CC(C)(C)[NH+]=C(NCc1cccs1)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1	ZINC000912506510	685388546	/nfs/dbraw/zinc/38/85/46/685388546.db2.gz	OBZRIQAEANHVMA-HUUCEWRRSA-N	2	0	350.532	2.445	20	30		FEEDRP
CCCC[C@@H](ON=C(C)C)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1	ZINC000870021542	684675390	/nfs/dbraw/zinc/67/53/90/684675390.db2.gz	HGDVCZWUBYLBQK-KZNAEPCWSA-N	2	0	354.539	2.155	20	30		FEEDRP
C#CC[NH+]1CCC(C(=O)NCc2ccccc2OCC[NH+](CC)CC)CC1	ZINC000057172021	540775847	/nfs/dbraw/zinc/77/58/47/540775847.db2.gz	AJALJUDLGLSKHH-UHFFFAOYSA-N	2	0	371.525	2.369	20	30		FEEDRP
CC[N@H+](CCNC(=O)N1CCC[NH+](Cc2ccc(C#N)cc2)CC1)C1CC1	ZINC000102068854	543059292	/nfs/dbraw/zinc/05/92/92/543059292.db2.gz	JMRDZQNVBXVNAN-UHFFFAOYSA-N	2	0	369.513	2.260	20	30		FEEDRP
CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCc1cccc(C#N)c1	ZINC000173790576	327284242	/nfs/dbraw/zinc/28/42/42/327284242.db2.gz	OERHERBQRVHZOC-LJQANCHMSA-N	2	0	357.502	2.116	20	30		FEEDRP
C[C@@H](CNC(=[NH2+])Nc1ccccc1OC(F)(F)F)C[NH+]1CCN(C)CC1	ZINC000160679705	546062373	/nfs/dbraw/zinc/06/23/73/546062373.db2.gz	CFZNFUJFZFFXHU-ZDUSSCGKSA-N	2	0	373.423	2.195	20	30		FEEDRP
CN(C)C(=[NH2+])NCCCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1	ZINC000170906780	546181953	/nfs/dbraw/zinc/18/19/53/546181953.db2.gz	SYYSRZUALKBDTM-UHFFFAOYSA-N	2	0	371.451	2.484	20	30		FEEDRP
C=CC[NH+]1CCC(NC(=O)c2ccc(N3CC[NH+](CC)CC3)cc2)CC1	ZINC000173160679	546275164	/nfs/dbraw/zinc/27/51/64/546275164.db2.gz	YUWMJRWTVMAIQA-UHFFFAOYSA-N	2	0	356.514	2.209	20	30		FEEDRP
C=C(C)CN(CC)C(=O)[C@@H](C)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1	ZINC000182571814	547515384	/nfs/dbraw/zinc/51/53/84/547515384.db2.gz	APIWIKDRJDTLOB-WRURNZQNSA-N	2	0	362.562	2.042	20	30		FEEDRP
C[NH+]1CCN(c2cc(CNC(=[NH2+])Nc3ccc4c(c3)CCC4)ccn2)CC1	ZINC000261990229	549777757	/nfs/dbraw/zinc/77/77/57/549777757.db2.gz	LPCFMYHMINVYMM-UHFFFAOYSA-N	2	0	364.497	2.249	20	30		FEEDRP
CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc(C(=O)N2CCCCC2)cc1	ZINC000264153341	549985601	/nfs/dbraw/zinc/98/56/01/549985601.db2.gz	ZWUGRYDQOBQKQZ-IBGZPJMESA-N	2	0	371.529	2.201	20	30		FEEDRP
[NH2+]=C(NCC1CC[NH+](Cc2ccccc2Cl)CC1)N1CCOCC1	ZINC000267401222	550030991	/nfs/dbraw/zinc/03/09/91/550030991.db2.gz	FZZLOUMEDXSKEG-UHFFFAOYSA-N	2	0	350.894	2.199	20	30		FEEDRP
C#CC[NH+]1CCC(C(=O)N[C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1	ZINC000272300380	550435741	/nfs/dbraw/zinc/43/57/41/550435741.db2.gz	POOYRJOBGWFPSW-NQIIRXRSSA-N	2	0	353.510	2.358	20	30		FEEDRP
COc1ccc(C[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)cc1OCCCC#N	ZINC000282210549	551195999	/nfs/dbraw/zinc/19/59/99/551195999.db2.gz	DJERFSYMIKWWFC-UHFFFAOYSA-N	2	0	374.529	2.493	20	30		FEEDRP
N#Cc1cc2c(nc1NCCC[NH+]1CCN(c3cc[nH+]cc3)CC1)CCC2	ZINC000498691005	561532065	/nfs/dbraw/zinc/53/20/65/561532065.db2.gz	SRZILNFRGDCVIH-UHFFFAOYSA-N	2	0	362.481	2.461	20	30		FEEDRP
C=CCN1CC[C@@H]([NH2+][C@@H](C)c2cc(F)ccc2N2CC[NH+](CC)CC2)C1=O	ZINC000499601824	561554328	/nfs/dbraw/zinc/55/43/28/561554328.db2.gz	FSCOHBUYDIVTFH-QFBILLFUSA-N	2	0	374.504	2.405	20	30		FEEDRP
COc1ccc(NC(=[NH2+])NCc2ccncc2OCCC[NH+](C)C)cc1	ZINC000288632405	552188618	/nfs/dbraw/zinc/18/86/18/552188618.db2.gz	BFKDGWHSXMASKK-UHFFFAOYSA-N	2	0	357.458	2.348	20	30		FEEDRP
C=CCc1ccc(OC[C@@H](O)CN2CC[C@]3(CC[N@H+](C)C3)C2)c(OC)c1	ZINC000292147861	552698433	/nfs/dbraw/zinc/69/84/33/552698433.db2.gz	NEANFMYYSNLOKG-RXVVDRJESA-N	2	0	360.498	2.191	20	30		FEEDRP
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12	ZINC000298732908	553465417	/nfs/dbraw/zinc/46/54/17/553465417.db2.gz	MJBMIVXYLRFZIW-PMACEKPBSA-N	2	0	369.513	2.258	20	30		FEEDRP
CC[N@@H+]1CCC[C@H](CNC(=O)NC2CC[NH+](Cc3ccncc3)CC2)C1	ZINC000328729331	553813377	/nfs/dbraw/zinc/81/33/77/553813377.db2.gz	WBNMXKDOHLCRFM-GOSISDBHSA-N	2	0	359.518	2.282	20	30		FEEDRP
Cc1cnn(CC2CC[NH+](CC(=O)NC3CC[NH+](C4CC4)CC3)CC2)c1	ZINC000329171565	553894873	/nfs/dbraw/zinc/89/48/73/553894873.db2.gz	KOXOXBSPQZYCJW-UHFFFAOYSA-N	2	0	359.518	2.487	20	30		FEEDRP
O=C(NCC1([NH+]2CCSCC2)CCCCC1)N1CCn2cncc2C1	ZINC000329661732	553984380	/nfs/dbraw/zinc/98/43/80/553984380.db2.gz	OPHIFYFNZBPFKI-UHFFFAOYSA-N	2	0	363.531	2.364	20	30		FEEDRP
FC(F)OC[C@H]1CC[NH+](CC#CC[N@H+]2CC[C@H](COC(F)F)C2)C1	ZINC000512838129	561917428	/nfs/dbraw/zinc/91/74/28/561917428.db2.gz	BKYSENXZCUCVKO-KBPBESRZSA-N	2	0	352.372	2.112	20	30		FEEDRP
C=CCOc1ccccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)N2CC(=O)N(C)C	ZINC000512904273	561919594	/nfs/dbraw/zinc/91/95/94/561919594.db2.gz	QBXXXKLSMRFADM-YQQQUEKLSA-N	2	0	357.498	2.425	20	30		FEEDRP
COc1cc(C[NH2+]C[C@H]2CCCN(C)[C@H]2c2cnn(C)c2)ccc1C#N	ZINC000366929029	555973823	/nfs/dbraw/zinc/97/38/23/555973823.db2.gz	XZIZRESRAATVFH-YLJYHZDGSA-N	2	0	353.470	2.473	20	30		FEEDRP
C[NH+]1CCC(C#N)(NC(=O)[C@@H]2CCC[N@H+](Cc3cccc(F)c3)C2)CC1	ZINC000517345568	562086087	/nfs/dbraw/zinc/08/60/87/562086087.db2.gz	HFKIYCJBBYRJLW-QGZVFWFLSA-N	2	0	358.461	2.142	20	30		FEEDRP
C[NH+]1CCN(C[C@H]2CCC[N@H+](CCCOc3cccc(C#N)c3)C2)CC1	ZINC000371425638	557182656	/nfs/dbraw/zinc/18/26/56/557182656.db2.gz	UFPGKLKGGKPKDY-FQEVSTJZSA-N	2	0	356.514	2.287	20	30		FEEDRP
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NCC1([NH3+])CCCCC1	ZINC000418300377	559396848	/nfs/dbraw/zinc/39/68/48/559396848.db2.gz	VRSRHFPTQNEVMY-UHFFFAOYSA-N	2	0	357.502	2.293	20	30		FEEDRP
C[NH+](C)C1(CNC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)CCC1	ZINC000445864475	560135674	/nfs/dbraw/zinc/13/56/74/560135674.db2.gz	VNBHMTRKYWQJGX-UHFFFAOYSA-N	2	0	369.513	2.260	20	30		FEEDRP
C=CCOc1ccc(C[N@@H+]2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)cc1	ZINC000469866534	560967275	/nfs/dbraw/zinc/96/72/75/560967275.db2.gz	ZDOSTCSPVXRLPU-ICSRJNTNSA-N	2	0	357.498	2.332	20	30		FEEDRP
CC[NH+](CC)CCO[C@@H]1CC[N@H+](CCC(=O)Nc2cccc(C#N)c2)C1	ZINC000472269389	561022477	/nfs/dbraw/zinc/02/24/77/561022477.db2.gz	VQMQTMGNXOHQNV-LJQANCHMSA-N	2	0	358.486	2.320	20	30		FEEDRP
C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+]C[C@@H](O)CC1(C#N)CCOCC1	ZINC000601968584	567889915	/nfs/dbraw/zinc/88/99/15/567889915.db2.gz	OVGPMKKISSOSBZ-GIVPXCGWSA-N	2	0	371.525	2.415	20	30		FEEDRP
N#Cc1csc(C[NH2+]CCCN2CC[NH+](Cc3ccccc3)CC2)n1	ZINC000558491066	674499793	/nfs/dbraw/zinc/49/97/93/674499793.db2.gz	ULNZHXGNVRSDFH-UHFFFAOYSA-N	2	0	355.511	2.312	20	30		FEEDRP
N#Cc1csc(C[NH+]2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)c1	ZINC000561974362	674712206	/nfs/dbraw/zinc/71/22/06/674712206.db2.gz	VEIJDNKWYULEFB-UHFFFAOYSA-N	2	0	360.527	2.434	20	30		FEEDRP
C[NH+]=C(NCc1c(C)noc1C)NCC1([NH+]2CCSCC2)CCCC1	ZINC000156991919	672253236	/nfs/dbraw/zinc/25/32/36/672253236.db2.gz	LVVXCMKTVXHJFU-UHFFFAOYSA-N	2	0	365.547	2.318	20	30		FEEDRP
C=C(C)CN(CC)C(=O)C[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1	ZINC000588710779	672474592	/nfs/dbraw/zinc/47/45/92/672474592.db2.gz	WDVHHORDYBVTOL-HDICACEKSA-N	2	0	351.535	2.232	20	30		FEEDRP
COc1ccc(NC(=[NH2+])NC[C@@H]2C[N@H+](CC(C)C)CCO2)cc1Cl	ZINC000303771096	673017321	/nfs/dbraw/zinc/01/73/21/673017321.db2.gz	CJVKQJJKQMFUFM-CQSZACIVSA-N	2	0	354.882	2.432	20	30		FEEDRP
COc1ccc(NC(=[NH2+])NC[C@H]2C[N@H+](CC(C)C)CCO2)cc1Cl	ZINC000303771095	673017645	/nfs/dbraw/zinc/01/76/45/673017645.db2.gz	CJVKQJJKQMFUFM-AWEZNQCLSA-N	2	0	354.882	2.432	20	30		FEEDRP
C[C@H]1C[NH+](Cc2ccc(CNC(=[NH2+])N3CCSCC3)cc2)C[C@H](C)O1	ZINC000303899828	673018668	/nfs/dbraw/zinc/01/86/68/673018668.db2.gz	RTUCMSRUTBUDDU-HOTGVXAUSA-N	2	0	362.543	2.159	20	30		FEEDRP
C=C(Br)C[NH2+]C1CCC(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1	ZINC001026496695	680345123	/nfs/dbraw/zinc/34/51/23/680345123.db2.gz	OUQKHGMQZPYYNG-XSCHDIRWSA-N	2	0	358.324	2.252	20	30		FEEDRP
C#CC[N@@H+](C)CCCNC(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C	ZINC000836488142	680475822	/nfs/dbraw/zinc/47/58/22/680475822.db2.gz	HGJAFIJRINVNQT-KRWDZBQOSA-N	2	0	350.894	2.197	20	30		FEEDRP
CC(C)[NH+]1CCC(CC[NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)CC1	ZINC000872223811	684928988	/nfs/dbraw/zinc/92/89/88/684928988.db2.gz	YNRUYFMUMQAUJP-UHFFFAOYSA-N	2	0	363.527	2.432	20	30		FEEDRP
COCC[N@H+](CCC(=O)Nc1sccc1C#N)CC1CC[NH+](C)CC1	ZINC000879123263	686746223	/nfs/dbraw/zinc/74/62/23/686746223.db2.gz	UFLYPNRSLCVOEG-UHFFFAOYSA-N	2	0	364.515	2.239	20	30		FEEDRP
N#Cc1c2c(cnc1N1CC[C@@H]3[C@@H]1CC[N@@H+]3Cc1cccnc1)C[NH2+]CCC2	ZINC001164723637	720330037	/nfs/dbraw/zinc/33/00/37/720330037.db2.gz	IHKGSIHGOPRAMG-RTWAWAEBSA-N	2	0	374.492	2.237	20	30		FEEDRP
C[NH2+]CCCc1[nH]nc(NC(=O)c2cccc(C[NH+]3CCCC3)c2)c1C#N	ZINC000089676534	325326795	/nfs/dbraw/zinc/32/67/95/325326795.db2.gz	PCRVKZAIYCITFK-UHFFFAOYSA-N	2	0	366.469	2.281	20	30		FEEDRP
CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCc1ccc(C#N)cc1	ZINC000173794009	327284593	/nfs/dbraw/zinc/28/45/93/327284593.db2.gz	OZNKSMROTICFMI-IBGZPJMESA-N	2	0	357.502	2.116	20	30		FEEDRP
C=CC[NH+]1CCC(NC(=O)NC[C@H](C)[N@@H+]2CCc3ccccc3C2)CC1	ZINC000171715381	546220242	/nfs/dbraw/zinc/22/02/42/546220242.db2.gz	BWMGZDLTOHFQKL-KRWDZBQOSA-N	2	0	356.514	2.383	20	30		FEEDRP
N#Cc1ccc(N2CCC[C@H](N3CC[C@@H](C[NH+]4CCCC4)C3)C2=O)cc1	ZINC000245533029	548940814	/nfs/dbraw/zinc/94/08/14/548940814.db2.gz	UXGSFROGCODYRI-ICSRJNTNSA-N	2	0	352.482	2.471	20	30		FEEDRP
CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCC1(c2ccc(OC)cc2)CCOCC1	ZINC000264104399	549979451	/nfs/dbraw/zinc/97/94/51/549979451.db2.gz	PBZZJZVZPBXMOZ-GOSISDBHSA-N	2	0	374.529	2.132	20	30		FEEDRP
C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2CC(=O)N(C)C)c1ccc(C#N)c(F)c1	ZINC000285577784	551777541	/nfs/dbraw/zinc/77/75/41/551777541.db2.gz	GZZFEMXVQGQUCL-TZUVLKIQSA-N	2	0	358.461	2.432	20	30		FEEDRP
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1	ZINC000504316258	561656294	/nfs/dbraw/zinc/65/62/94/561656294.db2.gz	GBUZVCRBLDHNFP-VQTJNVASSA-N	2	0	369.513	2.258	20	30		FEEDRP
CC[NH+]1CCN(Cc2ccccc2CNC(=[NH2+])N2CCC(C)CC2)CC1	ZINC000303255482	553744241	/nfs/dbraw/zinc/74/42/41/553744241.db2.gz	GJAUKVUNAZAXGI-UHFFFAOYSA-N	2	0	357.546	2.371	20	30		FEEDRP
O=C(NC1CC[NH+](Cc2ccccn2)CC1)C1(N2CCOCC2)CCC1	ZINC000329118914	553883434	/nfs/dbraw/zinc/88/34/34/553883434.db2.gz	VDRNZDYLCBXNOX-UHFFFAOYSA-N	2	0	358.486	2.257	20	30		FEEDRP
Cn1nccc1[C@H]1[C@H](CNC(=O)C[N@H+](C)[C@@H]2CCSC2)CCC[NH+]1C	ZINC000329159325	553891272	/nfs/dbraw/zinc/89/12/72/553891272.db2.gz	DFYMGWLZHZFWTE-HDMKZQKVSA-N	2	0	365.547	2.197	20	30		FEEDRP
CC[N@H+](C)[C@H](C(=O)NC1CC[NH+]([C@H]2CCN(C)C2=O)CC1)c1ccccc1	ZINC000329206762	553902133	/nfs/dbraw/zinc/90/21/33/553902133.db2.gz	YGWOBMQZIJKTRL-OALUTQOASA-N	2	0	372.513	2.331	20	30		FEEDRP
FC(F)OC[C@@H]1CC[NH+](CC#CC[N@H+]2CC[C@H](COC(F)F)C2)C1	ZINC000512838130	561917403	/nfs/dbraw/zinc/91/74/03/561917403.db2.gz	BKYSENXZCUCVKO-OKILXGFUSA-N	2	0	352.372	2.112	20	30		FEEDRP
CC[NH+]1CCN([C@H](C)C[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)CC1	ZINC000367614021	556097652	/nfs/dbraw/zinc/09/76/52/556097652.db2.gz	FCTFMWTXVFPEDR-GOSISDBHSA-N	2	0	355.530	2.143	20	30		FEEDRP
C[NH+]1CCC(N2CC[C@H]([NH2+]C3CCN(c4ccc(C#N)cc4)CC3)C2)CC1	ZINC000367616629	556098468	/nfs/dbraw/zinc/09/84/68/556098468.db2.gz	LSQGPHJRQJCLNQ-FQEVSTJZSA-N	2	0	367.541	2.285	20	30		FEEDRP
C[C@@H]1C[N@H+](CCCOc2cccc(C#N)c2)CC[C@@H]1N1CC[NH+](C)CC1	ZINC000370147555	556793507	/nfs/dbraw/zinc/79/35/07/556793507.db2.gz	DNTHEZAFAVRWQC-NQIIRXRSSA-N	2	0	356.514	2.285	20	30		FEEDRP
C[C@H](NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)[C@H]1CCC[NH2+]C1	ZINC000516856937	562060711	/nfs/dbraw/zinc/06/07/11/562060711.db2.gz	IMBUGGINHLXDAP-PXNSSMCTSA-N	2	0	369.513	2.164	20	30		FEEDRP
C#Cc1ccc(C[NH2+]Cc2c(C)nn(C)c2N2CCC[N@H+](C)CC2)cc1	ZINC000377612719	558377411	/nfs/dbraw/zinc/37/74/11/558377411.db2.gz	BUQYXNQEINASOW-UHFFFAOYSA-N	2	0	351.498	2.142	20	30		FEEDRP
N#CC1(C(=O)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)CC2(CC2)C1	ZINC000602510718	567989229	/nfs/dbraw/zinc/98/92/29/567989229.db2.gz	MHOXBTLDZCDLDC-UHFFFAOYSA-N	2	0	352.482	2.180	20	30		FEEDRP
C[NH+](C)C[C@H](NC(=O)[C@@H]([NH3+])CCCC#N)c1cccc(C(F)(F)F)c1	ZINC000602583905	567994079	/nfs/dbraw/zinc/99/40/79/567994079.db2.gz	VLVVMYMWWCAFAK-GJZGRUSLSA-N	2	0	356.392	2.445	20	30		FEEDRP
CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1cc(OC)ccc1OC(F)F	ZINC000134028899	672118473	/nfs/dbraw/zinc/11/84/73/672118473.db2.gz	SMANIHLVMICWKB-ZDUSSCGKSA-N	2	0	356.417	2.185	20	30		FEEDRP
COc1ccc(CCNC(=[NH2+])NC[C@H](CC(C)C)[NH+](C)C)cc1OC	ZINC000303774825	673017637	/nfs/dbraw/zinc/01/76/37/673017637.db2.gz	GEQZEFZXAYODRS-INIZCTEOSA-N	2	0	350.507	2.127	20	30		FEEDRP
CC(C)CNC(=[NH2+])NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1	ZINC000304758963	673020630	/nfs/dbraw/zinc/02/06/30/673020630.db2.gz	QSBIZCLAGTYWJB-UHFFFAOYSA-N	2	0	351.926	2.412	20	30		FEEDRP
CN(C)C(=[NH+]CCC[NH+]1CCN(c2cccc(Cl)c2)CC1)N(C)C	ZINC000304765083	673020709	/nfs/dbraw/zinc/02/07/09/673020709.db2.gz	YURGEVBEEPONEK-UHFFFAOYSA-N	2	0	351.926	2.331	20	30		FEEDRP
C[N@H+](CCCN1CC[NH+](C)CC1)Cc1cc(Cl)ccc1OCC#N	ZINC000746463421	673879423	/nfs/dbraw/zinc/87/94/23/673879423.db2.gz	LSQFILHTZIQMJE-UHFFFAOYSA-N	2	0	350.894	2.312	20	30		FEEDRP
C[C@@H]1[C@H](C(=O)N2CCC([NH+](C)Cc3ccc(C#N)s3)CC2)CC[N@@H+]1C	ZINC000985442696	680449165	/nfs/dbraw/zinc/44/91/65/680449165.db2.gz	QKCXSGBSCBLOLY-RDTXWAMCSA-N	2	0	360.527	2.383	20	30		FEEDRP
C[C@@H]1[C@H](C(=O)N2CCC[C@@H]2C[NH+](C)Cc2ccc(C#N)s2)CC[N@@H+]1C	ZINC000960641890	682055714	/nfs/dbraw/zinc/05/57/14/682055714.db2.gz	NRBBFKNLDSIMSE-IIDMSEBBSA-N	2	0	360.527	2.383	20	30		FEEDRP
C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@@H](c1ccccc1OC)[NH+]1CCCC1	ZINC000876711290	686250445	/nfs/dbraw/zinc/25/04/45/686250445.db2.gz	WABNLDLVSGBMID-HOTGVXAUSA-N	2	0	351.878	2.418	20	30		FEEDRP
C=C(Cl)C[C@H]([NH3+])C(=O)N(Cc1ccccc1)[C@@H](C)CN1CCOCC1	ZINC000876753426	686260892	/nfs/dbraw/zinc/26/08/92/686260892.db2.gz	KSFMAZKICZTLLM-WMZOPIPTSA-N	2	0	365.905	2.206	20	30		FEEDRP
C=C(Cl)C[C@@H]([NH3+])C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cn1	ZINC000876785227	686267930	/nfs/dbraw/zinc/26/79/30/686267930.db2.gz	RBCBUUGEBPTPQE-OAHLLOKOSA-N	2	0	351.882	2.020	20	30		FEEDRP
CC[NH+](CC)[C@@H](CNC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N)c1ccsc1	ZINC000884188680	687812204	/nfs/dbraw/zinc/81/22/04/687812204.db2.gz	NKGLUTHJPABLFO-VIHIWDAPSA-N	2	0	360.527	2.387	20	30		FEEDRP
C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](Cc2ccc(C#N)cc2)CC1	ZINC000006762057	204267047	/nfs/dbraw/zinc/26/70/47/204267047.db2.gz	PPQWWHJRFKQADP-UHFFFAOYSA-N	2	0	356.514	2.474	20	30		FEEDRP
C=CCNC(=O)NC(=O)[C@H](C)[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1	ZINC000092821464	542889046	/nfs/dbraw/zinc/88/90/46/542889046.db2.gz	KQDGPXITWIHZFY-INIZCTEOSA-N	2	0	373.501	2.020	20	30		FEEDRP
C=C(C)C[NH+]1CCC(NC(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)CC1	ZINC000106328532	543223237	/nfs/dbraw/zinc/22/32/37/543223237.db2.gz	BHGZEMTWTDDPSI-HXUWFJFHSA-N	2	0	358.530	2.499	20	30		FEEDRP
C#CCOc1ccc(C[NH2+]Cc2cccc(C(=O)NCC[NH+](C)C)c2)cc1	ZINC000113334486	543484366	/nfs/dbraw/zinc/48/43/66/543484366.db2.gz	JYTVWXQOBOKOHF-UHFFFAOYSA-N	2	0	365.477	2.280	20	30		FEEDRP
CC[NH+]1CCN(Cc2ccc(C[NH2+]Cc3cc(C#N)n(C)c3)cc2)CC1	ZINC000190778121	328232060	/nfs/dbraw/zinc/23/20/60/328232060.db2.gz	VNOYRZUQMDORFB-UHFFFAOYSA-N	2	0	351.498	2.324	20	30		FEEDRP
C[C@@H](C#N)Oc1ccc(C[NH2+]Cc2cccnc2N2CC[NH+](C)CC2)cc1	ZINC000171563462	546213841	/nfs/dbraw/zinc/21/38/41/546213841.db2.gz	WQTRYJIXORRJOL-KRWDZBQOSA-N	2	0	365.481	2.414	20	30		FEEDRP
COc1ccc(CN2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)cc1C#N	ZINC000182556261	547513209	/nfs/dbraw/zinc/51/32/09/547513209.db2.gz	ABUQZLFYLSLBAP-YOFSQIOKSA-N	2	0	354.498	2.310	20	30		FEEDRP
C=CCN(CCOC)CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1	ZINC000191145218	548341134	/nfs/dbraw/zinc/34/11/34/548341134.db2.gz	UPDUNEOHHIBTJH-UHFFFAOYSA-N	2	0	359.514	2.210	20	30		FEEDRP
C[N@@H+]1CCC[C@@H]2CN([C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)CC[C@H]21	ZINC000245523715	548938401	/nfs/dbraw/zinc/93/84/01/548938401.db2.gz	NAWYXHIMUBEXHO-MISYRCLQSA-N	2	0	352.482	2.470	20	30		FEEDRP
C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1	ZINC000245970678	549029321	/nfs/dbraw/zinc/02/93/21/549029321.db2.gz	FLSJFAHDOGXALV-IAGOWNOFSA-N	2	0	364.534	2.363	20	30		FEEDRP
[NH2+]=C(NCc1ccccc1C[N@H+]1CC[C@H](O)C1)Nc1cc(F)ccc1F	ZINC000262335049	549811492	/nfs/dbraw/zinc/81/14/92/549811492.db2.gz	ZDJWAKCCEMJIEP-INIZCTEOSA-N	2	0	360.408	2.458	20	30		FEEDRP
CC[NH+]=C(NC[C@@H]1CCOc2ccccc21)N1CC[C@@H]([NH+]2CC=CC2)C1	ZINC000262773684	549848667	/nfs/dbraw/zinc/84/86/67/549848667.db2.gz	INWGPZAQTZRJMV-ZWKOTPCHSA-N	2	0	354.498	2.464	20	30		FEEDRP
CC[NH+](CC)[C@H](C)CNC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1	ZINC000281425301	551095814	/nfs/dbraw/zinc/09/58/14/551095814.db2.gz	DJLOSTWTEQLFQI-QGZVFWFLSA-N	2	0	359.518	2.362	20	30		FEEDRP
C[NH+]1CCC[C@@H](CNc2nc(NC[C@@H]3CCC[N@@H+](C)C3)ccc2C#N)C1	ZINC000302892232	553740791	/nfs/dbraw/zinc/74/07/91/553740791.db2.gz	PZJDSSPYWHCBAI-IRXDYDNUSA-N	2	0	356.518	2.461	20	30		FEEDRP
C[C@H](O)C[N@@H+]1CCN(C(=O)NC[C@@H]2CCC[NH+]2C2CCCCC2)[C@H](C)C1	ZINC000329396176	553938262	/nfs/dbraw/zinc/93/82/62/553938262.db2.gz	VZRJPSVQVKKLAT-AOIWGVFYSA-N	2	0	366.550	2.084	20	30		FEEDRP
CC[N@@H+]1CC[C@H](N(C)C(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)C[C@H]1C	ZINC000330227974	554089224	/nfs/dbraw/zinc/08/92/24/554089224.db2.gz	PLBUGPSUXSBDQU-LULLPPNCSA-N	2	0	366.550	2.083	20	30		FEEDRP
CCC[NH+]1CCN(C2CC[NH+](C[C@H](O)c3ccc(C#N)cc3)CC2)CC1	ZINC000363861113	555201549	/nfs/dbraw/zinc/20/15/49/555201549.db2.gz	SAIWHMDLQBUVHX-NRFANRHFSA-N	2	0	356.514	2.084	20	30		FEEDRP
CN1CC[NH+](CC2(C)CC[NH+](CCOc3ccc(C#N)cc3)CC2)CC1	ZINC000368825936	556423434	/nfs/dbraw/zinc/42/34/34/556423434.db2.gz	OXPNNTWXTXVUOS-UHFFFAOYSA-N	2	0	356.514	2.287	20	30		FEEDRP
C[C@H]1C[N@H+](CCCOc2cccc(C#N)c2)CC[C@H]1N1CC[NH+](C)CC1	ZINC000370147554	556793485	/nfs/dbraw/zinc/79/34/85/556793485.db2.gz	DNTHEZAFAVRWQC-GHTZIAJQSA-N	2	0	356.514	2.285	20	30		FEEDRP
C=CC[NH+]1CCC(NC(=O)NC[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)CC1	ZINC000373547636	557716004	/nfs/dbraw/zinc/71/60/04/557716004.db2.gz	VJMNZKHNNVITCW-HKUYNNGSSA-N	2	0	357.502	2.024	20	30		FEEDRP
C[NH+](CC#CC[N@@H+](C)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C	ZINC000375472062	558033320	/nfs/dbraw/zinc/03/33/20/558033320.db2.gz	NAJNLXNPHJUIJC-YDETXVTLSA-N	2	0	360.542	2.480	20	30		FEEDRP
C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[N@@H+](C)[C@H](c4ccccc4)[C@H]3C2)CC1	ZINC000377819793	558426369	/nfs/dbraw/zinc/42/63/69/558426369.db2.gz	ZLODWUBNBHMARW-PCCBWWKXSA-N	2	0	351.494	2.093	20	30		FEEDRP
C=CCOc1ccc(C[N@@H+]2CCC[C@H](n3cc(C[NH3+])nn3)C2)cc1OC	ZINC000415119255	559206288	/nfs/dbraw/zinc/20/62/88/559206288.db2.gz	FEQKVCFOYRFXQS-KRWDZBQOSA-N	2	0	357.458	2.147	20	30		FEEDRP
C[NH+](C)C1(CNc2cc(C#N)c([N+](=O)[O-])c(NCC3([NH+](C)C)CC3)c2)CC1	ZINC000419012544	559425349	/nfs/dbraw/zinc/42/53/49/559425349.db2.gz	WTVAPQFUWZYLOO-UHFFFAOYSA-N	2	0	372.473	2.479	20	30		FEEDRP
CC[NH+](CC)CCO[C@@H]1CCN([C@@H](C(=O)OC)c2cccc(C#N)c2)C1	ZINC000435023548	559914541	/nfs/dbraw/zinc/91/45/41/559914541.db2.gz	LLOVSJWQEWDEPC-RTBURBONSA-N	2	0	359.470	2.205	20	30		FEEDRP
C[NH+](C)C1(CNc2ccc(C#N)c(NCC3([NH+](C)C)CCC3)n2)CCC1	ZINC000436345764	559940391	/nfs/dbraw/zinc/94/03/91/559940391.db2.gz	NNLQCLUNOFHMSH-UHFFFAOYSA-N	2	0	356.518	2.746	20	30		FEEDRP
C[C@@H](CC1(C#N)CCOCC1)[NH2+]CCN1CC[NH+](Cc2ccccc2)CC1	ZINC000602499174	567983760	/nfs/dbraw/zinc/98/37/60/567983760.db2.gz	NXPKGJDBNFYMIA-FQEVSTJZSA-N	2	0	370.541	2.493	20	30		FEEDRP
C[C@@H](CC1(C#N)CCOCC1)[NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1	ZINC000602593633	567995285	/nfs/dbraw/zinc/99/52/85/567995285.db2.gz	LYLINMGZQSPEEC-KRWDZBQOSA-N	2	0	372.513	2.167	20	30		FEEDRP
C[NH+](C)CCN(CC[NH+](C)C)C(=O)Nc1ccc(CC#N)cc1Cl	ZINC000560438441	674587673	/nfs/dbraw/zinc/58/76/73/674587673.db2.gz	JJDSCBYCEAGVDL-UHFFFAOYSA-N	2	0	351.882	2.363	20	30		FEEDRP
C[NH+]=C(NCc1noc(C)n1)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1	ZINC000262353990	672913921	/nfs/dbraw/zinc/91/39/21/672913921.db2.gz	FQGLGVHUWFGDOU-BBRMVZONSA-N	2	0	362.503	2.188	20	30		FEEDRP
CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc(OC)c(Br)c1	ZINC000303971312	673019315	/nfs/dbraw/zinc/01/93/15/673019315.db2.gz	DIPLIWOBULFKDA-ZDUSSCGKSA-N	2	0	369.307	2.346	20	30		FEEDRP
CC(C)CC[NH+]1CCC(C[NH2+]C[C@@H](O)CC2(C#N)CCOCC2)CC1	ZINC000600729884	673795240	/nfs/dbraw/zinc/79/52/40/673795240.db2.gz	NSEROZLDRGJPLN-IBGZPJMESA-N	2	0	351.535	2.405	20	30		FEEDRP
CC[NH+]1CCC(N2CCCN(C(=O)C3(C#N)CCSCC3)CC2)CC1	ZINC000823113669	675530046	/nfs/dbraw/zinc/53/00/46/675530046.db2.gz	CTOVQANTPFBGJH-UHFFFAOYSA-N	2	0	364.559	2.042	20	30		FEEDRP
O=C(C#CC1CC[NH2+]CC1)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1	ZINC000852855744	682350817	/nfs/dbraw/zinc/35/08/17/682350817.db2.gz	NPEJZBLJRGKBLK-UHFFFAOYSA-N	2	0	359.901	2.424	20	30		FEEDRP
C=CC[NH+]1CCC(NC(=O)[C@@H]([NH3+])c2cccc(Br)c2)CC1	ZINC000870883064	684766159	/nfs/dbraw/zinc/76/61/59/684766159.db2.gz	LFGOSXVTTQTVSC-HNNXBMFYSA-N	2	0	352.276	2.216	20	30		FEEDRP
C=C(Cl)C[C@H]([NH3+])C(=O)Nc1cccc(C(=O)OC[C@H]2CCC[NH2+]2)c1	ZINC000876520448	686214332	/nfs/dbraw/zinc/21/43/32/686214332.db2.gz	LQCIUVXZJRWCQR-CABCVRRESA-N	2	0	351.834	2.004	20	30		FEEDRP
C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@@H](c1ccc(OC)cc1)[NH+]1CCCC1	ZINC000876711089	686249864	/nfs/dbraw/zinc/24/98/64/686249864.db2.gz	TUMIEXHTUPZCMD-IRXDYDNUSA-N	2	0	351.878	2.418	20	30		FEEDRP
C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1	ZINC000876782416	686268011	/nfs/dbraw/zinc/26/80/11/686268011.db2.gz	QEBXQPPGYVCBSV-CJNGLKHVSA-N	2	0	368.884	2.225	20	30		FEEDRP
C=CC[C@H](C(=O)OC)[N@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1	ZINC000878174255	686535579	/nfs/dbraw/zinc/53/55/79/686535579.db2.gz	MSCVIINHOSFNMV-LJQANCHMSA-N	2	0	351.535	2.232	20	30		FEEDRP
C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)CC(=O)N[C@](C)(C#N)C1CC1	ZINC000092820948	542888383	/nfs/dbraw/zinc/88/83/83/542888383.db2.gz	OZAHKLVNLVTQDZ-OAQYLSRUSA-N	2	0	369.513	2.428	20	30		FEEDRP
COc1ccc(C[NH2+]C[C@H](C)N2CC[NH+](C)CC2)cc1OCCCC#N	ZINC000105465670	543174269	/nfs/dbraw/zinc/17/42/69/543174269.db2.gz	OTUVXVRETFWXQD-KRWDZBQOSA-N	2	0	360.502	2.103	20	30		FEEDRP
COc1ccc(CCNC(=[NH2+])NC[C@@H]2CC[N@H+](CC(C)C)C2)cc1OC	ZINC000134120438	544295077	/nfs/dbraw/zinc/29/50/77/544295077.db2.gz	DCBDRQHSKJEHIH-KRWDZBQOSA-N	2	0	362.518	2.129	20	30		FEEDRP
C[NH+]1CCN(C[C@H]2CCC[N@H+](CCCOc3ccc(C#N)cc3)C2)CC1	ZINC000367117683	330218769	/nfs/dbraw/zinc/21/87/69/330218769.db2.gz	RUJTUZWWVDTXSO-FQEVSTJZSA-N	2	0	356.514	2.287	20	30		FEEDRP
C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCC(CCC[NH+](CC)CC)CC1	ZINC000182753821	547547577	/nfs/dbraw/zinc/54/75/77/547547577.db2.gz	NHEYZPFZZVOCJG-MRXNPFEDSA-N	2	0	352.523	2.221	20	30		FEEDRP
CCN(CC)C(=O)c1ccc(CNC(=[NH2+])NC[C@H]2CCC[N@@H+]2CC)cc1	ZINC000264142241	549984545	/nfs/dbraw/zinc/98/45/45/549984545.db2.gz	WWDJXNVECCUMHG-GOSISDBHSA-N	2	0	359.518	2.057	20	30		FEEDRP
CC(C)[NH+]1CCN(CCC[NH+]2CCN(Cc3ccc(C#N)cc3)CC2)CC1	ZINC000282624232	551253159	/nfs/dbraw/zinc/25/31/59/551253159.db2.gz	JFPHBRUIAMKWJG-UHFFFAOYSA-N	2	0	369.557	2.092	20	30		FEEDRP
CN(CCC#N)C(=O)CC[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1	ZINC000285626555	551785163	/nfs/dbraw/zinc/78/51/63/551785163.db2.gz	QZQOALGBNNGDPQ-OAQYLSRUSA-N	2	0	354.498	2.347	20	30		FEEDRP
C[NH+](C)CCN1CCC([NH2+]C2CCN(c3ccc(C#N)cc3)CC2)CC1	ZINC000285834965	551817019	/nfs/dbraw/zinc/81/70/19/551817019.db2.gz	XCIDVIFXPGNZBA-UHFFFAOYSA-N	2	0	355.530	2.143	20	30		FEEDRP
C=CC[NH+]1CCC(NC(=O)N[C@@H](C[NH+](C)C)c2ccc(OC)cc2)CC1	ZINC000287844854	552053835	/nfs/dbraw/zinc/05/38/35/552053835.db2.gz	VKNFBJBIVRWOKW-IBGZPJMESA-N	2	0	360.502	2.248	20	30		FEEDRP
C[C@@H]1CN(c2nc(N3C[C@@H](C)[N@H+](C)[C@@H](C)C3)ccc2C#N)C[C@H](C)[NH+]1C	ZINC000302890754	553740754	/nfs/dbraw/zinc/74/07/54/553740754.db2.gz	PMCIAKQGSWFDNC-WNKDZCFJSA-N	2	0	356.518	2.011	20	30		FEEDRP
CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1nc(-c2cccc(Cl)c2)no1	ZINC000304743653	553747642	/nfs/dbraw/zinc/74/76/42/553747642.db2.gz	DGGXZRLOPODKNK-CQSZACIVSA-N	2	0	362.865	2.279	20	30		FEEDRP
C=C(C)C[NH+]1CCC(NC(=O)C2CC[NH+](Cc3cccnc3)CC2)CC1	ZINC000365527490	555599488	/nfs/dbraw/zinc/59/94/88/555599488.db2.gz	XXRMCWSHLOETFX-UHFFFAOYSA-N	2	0	356.514	2.450	20	30		FEEDRP
C(#CC[NH+]1CCC([C@@H]2CCOC2)CC1)C[NH+]1CCC([C@@H]2CCOC2)CC1	ZINC000367464825	556057486	/nfs/dbraw/zinc/05/74/86/556057486.db2.gz	VUVYMBITEYHDHD-FGZHOGPDSA-N	2	0	360.542	2.487	20	30		FEEDRP
C(#CC[NH+]1CCC([C@@H]2CCOC2)CC1)C[NH+]1CCC([C@H]2CCOC2)CC1	ZINC000367464826	556057499	/nfs/dbraw/zinc/05/74/99/556057499.db2.gz	VUVYMBITEYHDHD-SZPZYZBQSA-N	2	0	360.542	2.487	20	30		FEEDRP
C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2CCC(=O)Nc1ccccc1C#N	ZINC000374431857	557883220	/nfs/dbraw/zinc/88/32/20/557883220.db2.gz	ZASBXFDSJYZPDE-NEWSRXKRSA-N	2	0	356.470	2.070	20	30		FEEDRP
C[N@@H+](CC(=O)N[C@@](C)(C#N)C1CC1)CC1CCN(c2cc[nH+]cc2)CC1	ZINC000374778976	557929991	/nfs/dbraw/zinc/92/99/91/557929991.db2.gz	KBPOVMDUFNXWCE-FQEVSTJZSA-N	2	0	355.486	2.038	20	30		FEEDRP
C(#CC[NH+]1CCC(n2cccn2)CC1)C[NH+]1CCC(n2cccn2)CC1	ZINC000377394835	558332215	/nfs/dbraw/zinc/33/22/15/558332215.db2.gz	CEHFMCPFFZLZLG-UHFFFAOYSA-N	2	0	352.486	2.057	20	30		FEEDRP
C[C@H](C(=O)Nc1ccccc1C#N)N1CCC(C)(C[NH+]2CCOCC2)CC1	ZINC000378268273	558515647	/nfs/dbraw/zinc/51/56/47/558515647.db2.gz	DSLFDANKPGTBBZ-QGZVFWFLSA-N	2	0	370.497	2.320	20	30		FEEDRP
C=CCc1cc(C[N@@H+]2CCC[C@@H](n3cc(C[NH3+])nn3)C2)cc(OC)c1O	ZINC000415129714	559207006	/nfs/dbraw/zinc/20/70/06/559207006.db2.gz	PMFPVFYPAVMRAI-QGZVFWFLSA-N	2	0	357.458	2.017	20	30		FEEDRP
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NC[C@H]1CCC[C@@H]([NH3+])C1	ZINC000418712645	559412043	/nfs/dbraw/zinc/41/20/43/559412043.db2.gz	GQKAQESKETVGJW-RBUKOAKNSA-N	2	0	357.502	2.149	20	30		FEEDRP
O[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH+]1CC#CC[N@H+]1CCC[C@@H]1[C@@H]1CCC[C@@H]1O	ZINC000451414494	560305482	/nfs/dbraw/zinc/30/54/82/560305482.db2.gz	DDBXFMYWJUSBKQ-RXGLGVBBSA-N	2	0	360.542	2.241	20	30		FEEDRP
COCC[N@H+](C)CCCC1CC[NH+]([C@H](C)C(=O)NC2(C#N)CCC2)CC1	ZINC000469768751	560963923	/nfs/dbraw/zinc/96/39/23/560963923.db2.gz	LSPJKVMRXGNOPZ-QGZVFWFLSA-N	2	0	364.534	2.008	20	30		FEEDRP
CC[NH+](CC)CC1CC[NH+](CC#CCN2C(=O)c3ccccc3C2=O)CC1	ZINC000528354678	562324379	/nfs/dbraw/zinc/32/43/79/562324379.db2.gz	XLIDVEGFNRWXMO-UHFFFAOYSA-N	2	0	367.493	2.340	20	30		FEEDRP
C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]C[C@@H](O)CC1(C#N)CCOCC1	ZINC000601968587	567889988	/nfs/dbraw/zinc/88/99/88/567889988.db2.gz	OVGPMKKISSOSBZ-NRSPTQNISA-N	2	0	371.525	2.415	20	30		FEEDRP
Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1	ZINC000568520835	568045915	/nfs/dbraw/zinc/04/59/15/568045915.db2.gz	AQLZQHSNFQOXOS-LJQANCHMSA-N	2	0	360.421	2.496	20	30		FEEDRP
C[C@@H]1CCC[N@H+](CCCC[NH2+]CCS(=O)(=O)c2cccc(C#N)c2)C1	ZINC000565945516	675162814	/nfs/dbraw/zinc/16/28/14/675162814.db2.gz	IRGRXQMLFIRZMY-QGZVFWFLSA-N	2	0	363.527	2.434	20	30		FEEDRP
C=C(C)CN(CC)C(=O)C[NH+]1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1	ZINC000588710783	672474612	/nfs/dbraw/zinc/47/46/12/672474612.db2.gz	WDVHHORDYBVTOL-QZTJIDSGSA-N	2	0	351.535	2.232	20	30		FEEDRP
[NH2+]=C(NC[C@H]1CC[N@@H+](C2CC2)C1)N1CCN(c2ccc(Cl)cc2)CC1	ZINC000261984858	672907024	/nfs/dbraw/zinc/90/70/24/672907024.db2.gz	JMTIMFLKEMZTTO-OAHLLOKOSA-N	2	0	361.921	2.261	20	30		FEEDRP
C[NH+]=C(NCC1([NH+]2CCSCC2)CCCC1)N(C)Cc1cccn1C	ZINC000262008586	672907506	/nfs/dbraw/zinc/90/75/06/672907506.db2.gz	WDRMVFRFSVZGBA-UHFFFAOYSA-N	2	0	363.575	2.394	20	30		FEEDRP
CC[NH+]=C(NC[C@H](O)C1CCCCC1)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C	ZINC000262764756	672920584	/nfs/dbraw/zinc/92/05/84/672920584.db2.gz	FRAJAJQHLXCTCK-IPQPSQTFSA-N	2	0	350.551	2.498	20	30		FEEDRP
C[NH+](C)C1CCN(CC[NH2+]Cc2cc(C#N)ccc2Br)CC1	ZINC000921817418	683582535	/nfs/dbraw/zinc/58/25/35/683582535.db2.gz	SXFGIOJLBHOCHL-UHFFFAOYSA-N	2	0	365.319	2.436	20	30		FEEDRP
C[NH+](C)CC1(O)CCN(Cc2cc(C#N)ccc2Br)CC1	ZINC000931482631	684289815	/nfs/dbraw/zinc/28/98/15/684289815.db2.gz	ZYIBUIXMYKMXDX-UHFFFAOYSA-N	2	0	352.276	2.209	20	30		FEEDRP
C=C(Cl)C[C@@H]([NH3+])C(=O)Nc1ccccc1C(=O)OC[C@@H]1CCC[NH2+]1	ZINC000876521142	686214776	/nfs/dbraw/zinc/21/47/76/686214776.db2.gz	IEYZDVHUCCQBFR-GXTWGEPZSA-N	2	0	351.834	2.004	20	30		FEEDRP
C[NH+](C)[C@@H](CNC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N)c1ccc(Cl)cc1	ZINC000884231155	687824651	/nfs/dbraw/zinc/82/46/51/687824651.db2.gz	KHULKNWJMQEJPE-VOLNDZDFSA-N	2	0	360.889	2.198	20	30		FEEDRP
N#Cc1ccc(C[N@H+]2CCCN(C(=O)NCCC[NH+]3CCCC3)CC2)cc1	ZINC000045121920	540204042	/nfs/dbraw/zinc/20/40/42/540204042.db2.gz	RJCLWTYIQJCMSR-UHFFFAOYSA-N	2	0	369.513	2.261	20	30		FEEDRP
C=CCOc1ccc(C[N@H+]2CC[C@@H](N3CC[NH+](CC)CC3)C2)cc1OC	ZINC000093133054	542910362	/nfs/dbraw/zinc/91/03/62/542910362.db2.gz	BIONJQAQXLCZPE-LJQANCHMSA-N	2	0	359.514	2.472	20	30		FEEDRP
C=C(C)C[NH+]1CCC(NC(=O)NCc2cccnc2-n2ccnc2)CC1	ZINC000106258646	543220976	/nfs/dbraw/zinc/22/09/76/543220976.db2.gz	LXADRYXACPGSSL-UHFFFAOYSA-N	2	0	354.458	2.107	20	30		FEEDRP
C=C(C)C[NH+]1CCC(NC(=O)NCc2ccccc2OCC[NH+](C)C)CC1	ZINC000106267902	543221854	/nfs/dbraw/zinc/22/18/54/543221854.db2.gz	SBJYHBORGDHDOH-UHFFFAOYSA-N	2	0	374.529	2.467	20	30		FEEDRP
C[N@@H+]1CCC[C@@H](CNC(=O)N2CCC[NH+](Cc3ccc(C#N)cc3)CC2)C1	ZINC000108590236	543296122	/nfs/dbraw/zinc/29/61/22/543296122.db2.gz	LEUOZZALGBERSD-FQEVSTJZSA-N	2	0	369.513	2.117	20	30		FEEDRP
Cc1cccc(N2CC[NH+](CCCNC(=[NH2+])Nc3ccccn3)CC2)c1	ZINC000170904402	546181813	/nfs/dbraw/zinc/18/18/13/546181813.db2.gz	LBSGIJUUXWPNLX-UHFFFAOYSA-N	2	0	352.486	2.329	20	30		FEEDRP
C#CC[NH+]1CCC(C(=O)NC[C@H](C2CC2)[N@H+](C)Cc2ccccc2)CC1	ZINC000187455175	548257434	/nfs/dbraw/zinc/25/74/34/548257434.db2.gz	PENXIWFGXKGSDV-OAQYLSRUSA-N	2	0	353.510	2.358	20	30		FEEDRP
CN(CC[N@H+](C)C1CC1)c1ccc(C#N)c(N(C)CC[NH+](C)C2CC2)n1	ZINC000195280552	548611157	/nfs/dbraw/zinc/61/11/57/548611157.db2.gz	GEDFWTUOVGAPOG-UHFFFAOYSA-N	2	0	356.518	2.014	20	30		FEEDRP
CCN(CC)C(=[NH2+])NCc1cccc(OCC[N@H+](C)C2CCOCC2)c1	ZINC000264275487	549993971	/nfs/dbraw/zinc/99/39/71/549993971.db2.gz	MPZMQVBFWMBITI-UHFFFAOYSA-N	2	0	362.518	2.333	20	30		FEEDRP
C[NH+]=C(NCc1ccco1)NCc1ccc(C[NH+]2CCC(O)CC2)cc1	ZINC000267325254	550030064	/nfs/dbraw/zinc/03/00/64/550030064.db2.gz	PHVMPTRVUIEKFY-UHFFFAOYSA-N	2	0	356.470	2.102	20	30		FEEDRP
C[N@@H+]1CC[C@@H](CNC(=[NH2+])N2CCOCC2)[C@@H]1c1ccc(Cl)c(F)c1	ZINC000270538545	550281830	/nfs/dbraw/zinc/28/18/30/550281830.db2.gz	BGSBAYVQPSYHGW-BBRMVZONSA-N	2	0	354.857	2.119	20	30		FEEDRP
C[C@@H]([NH2+]CCNC(=O)C1N=CC=CC1=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000272562264	550458215	/nfs/dbraw/zinc/45/82/15/550458215.db2.gz	GUMVMTXFDOQYMW-MGVNEBLISA-N	2	0	368.481	2.013	20	30		FEEDRP
CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1nc(-c2ccc(Cl)cc2)no1	ZINC000304764031	553747715	/nfs/dbraw/zinc/74/77/15/553747715.db2.gz	XLBSTZYYCNFYIL-CQSZACIVSA-N	2	0	362.865	2.279	20	30		FEEDRP
CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1nc(-c2cccc(Cl)c2)no1	ZINC000304743651	553747748	/nfs/dbraw/zinc/74/77/48/553747748.db2.gz	DGGXZRLOPODKNK-AWEZNQCLSA-N	2	0	362.865	2.279	20	30		FEEDRP
C[C@@H]1[C@H]([NH+]2CCCC2)CCN1CC#CCN1CC[C@H]([NH+]2CCCC2)[C@H]1C	ZINC000368627769	556368079	/nfs/dbraw/zinc/36/80/79/556368079.db2.gz	YLEJFBCDKFPCEC-YSFYHYPLSA-N	2	0	358.574	2.107	20	30		FEEDRP
C[C@@H]1[C@H]([NH+]2CCCC2)CCN1CC#CCN1CC[C@@H]([NH+]2CCCC2)[C@@H]1C	ZINC000368627766	556368294	/nfs/dbraw/zinc/36/82/94/556368294.db2.gz	YLEJFBCDKFPCEC-CIAFKFPVSA-N	2	0	358.574	2.107	20	30		FEEDRP
C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2CCC(=O)Nc1ccc(C#N)cc1	ZINC000371288875	557132780	/nfs/dbraw/zinc/13/27/80/557132780.db2.gz	GAZCETFJHJGKTE-GUDVDZBRSA-N	2	0	356.470	2.070	20	30		FEEDRP
C[NH+](C)CCOc1cc(C[NH2+][C@@H]2CCC[C@@H]3O[C@H](CC#N)C[C@H]32)ccn1	ZINC000371510110	557205216	/nfs/dbraw/zinc/20/52/16/557205216.db2.gz	RROGVBLZCQENSM-HCXYKTFWSA-N	2	0	358.486	2.351	20	30		FEEDRP
C#CC[NH+]1CCC(C(=O)NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)CC1	ZINC000373418915	557689943	/nfs/dbraw/zinc/68/99/43/557689943.db2.gz	SUSIYSVNGPNXMT-UHFFFAOYSA-N	2	0	371.447	2.253	20	30		FEEDRP
C[N@H+](C[C@@H]1CC12CC[NH+](CC(=O)NCc1ccc(C#N)cc1)CC2)C1CC1	ZINC000374298321	557860888	/nfs/dbraw/zinc/86/08/88/557860888.db2.gz	VSGCWGIOGMAKOC-IBGZPJMESA-N	2	0	366.509	2.371	20	30		FEEDRP
C[C@H]1C[N@H+](CCCOc2ccc(C#N)cc2)CCN1C1CC[NH+](C)CC1	ZINC000378371937	558542680	/nfs/dbraw/zinc/54/26/80/558542680.db2.gz	SYBJGPIJUAATFG-SFHVURJKSA-N	2	0	356.514	2.427	20	30		FEEDRP
C=CCOc1ccccc1C[NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1	ZINC000414480236	559167815	/nfs/dbraw/zinc/16/78/15/559167815.db2.gz	IYJCXYBNDHGKQY-UHFFFAOYSA-N	2	0	359.514	2.138	20	30		FEEDRP
CC[NH+]1CCC(N2CCC[N@H+](CCOc3ccccc3C#N)CC2)CC1	ZINC000420986094	559517448	/nfs/dbraw/zinc/51/74/48/559517448.db2.gz	XSVJXVDNIVYVPJ-UHFFFAOYSA-N	2	0	356.514	2.429	20	30		FEEDRP
C[C@@H](C(=O)NC1(C#N)CCC1)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000469605146	560959482	/nfs/dbraw/zinc/95/94/82/560959482.db2.gz	PRKUPYYMXUTGSA-HKUYNNGSSA-N	2	0	354.498	2.391	20	30		FEEDRP
C[C@@H]([NH2+][C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C)c1ccc(C#N)cc1	ZINC000540789195	562593106	/nfs/dbraw/zinc/59/31/06/562593106.db2.gz	RXBLAVGQMBIVMS-UTKZUKDTSA-N	2	0	364.493	2.498	20	30		FEEDRP
C[C@H](CC1(C#N)CCOCC1)[NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1	ZINC000602593634	567995261	/nfs/dbraw/zinc/99/52/61/567995261.db2.gz	LYLINMGZQSPEEC-QGZVFWFLSA-N	2	0	372.513	2.167	20	30		FEEDRP
CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1cc(OC)ccc1OC(F)F	ZINC000134028689	672118522	/nfs/dbraw/zinc/11/85/22/672118522.db2.gz	SMANIHLVMICWKB-CYBMUJFWSA-N	2	0	356.417	2.185	20	30		FEEDRP
C[NH+]=C(NCC1([NH+]2CCCC2)CCOCC1)N1CCSC(C)(C)C1	ZINC000262052788	672908528	/nfs/dbraw/zinc/90/85/28/672908528.db2.gz	ZWAJXOHRQJZWCC-UHFFFAOYSA-N	2	0	354.564	2.034	20	30		FEEDRP
COC[C@H](C)NC(=[NH2+])NCC1CC[NH+](Cc2ccccc2Cl)CC1	ZINC000304743100	673020197	/nfs/dbraw/zinc/02/01/97/673020197.db2.gz	CXCHGJVOXMWYGT-AWEZNQCLSA-N	2	0	352.910	2.491	20	30		FEEDRP
CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCC#Cc1ccc(C(F)(F)F)cc1	ZINC000304811699	673020888	/nfs/dbraw/zinc/02/08/88/673020888.db2.gz	XLVKFWGSQBRNNW-INIZCTEOSA-N	2	0	352.404	2.446	20	30		FEEDRP
C#CC[NH+]1CCC(C(=O)N(CC[NH+](CC)CC)CCC(F)(F)F)CC1	ZINC000752493777	680245437	/nfs/dbraw/zinc/24/54/37/680245437.db2.gz	ZBNJGTYCOOTXNT-UHFFFAOYSA-N	2	0	361.452	2.454	20	30		FEEDRP
C=C(Cl)C[C@@H]([NH3+])C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1OCC	ZINC000876784807	686268433	/nfs/dbraw/zinc/26/84/33/686268433.db2.gz	KKZZTQAVEFWFJN-OAHLLOKOSA-N	2	0	366.893	2.246	20	30		FEEDRP
CC(C)c1cccc(NC(=[NH2+])NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)c1	ZINC000104191943	543125929	/nfs/dbraw/zinc/12/59/29/543125929.db2.gz	UXELJROMSVOOTE-SFHVURJKSA-N	2	0	359.518	2.479	20	30		FEEDRP
C[C@@H]1C[NH+](CC2CC[NH+](C[C@H](O)c3ccc(C#N)cc3)CC2)C[C@@H](C)O1	ZINC000156031389	326814942	/nfs/dbraw/zinc/81/49/42/326814942.db2.gz	DKICVMALNOAQIW-LZJOCLMNSA-N	2	0	357.498	2.413	20	30		FEEDRP
C=CC[NH+]1CCC(NC(=O)NC[C@@H](C(CC)CC)[NH+]2CCOCC2)CC1	ZINC000171707870	546219611	/nfs/dbraw/zinc/21/96/11/546219611.db2.gz	OXOCVXTWLRFDBS-IBGZPJMESA-N	2	0	366.550	2.073	20	30		FEEDRP
C=CC[NH+]1CCC(NC(=O)NCc2ccccc2OCC[NH+](C)C)CC1	ZINC000171728405	546221625	/nfs/dbraw/zinc/22/16/25/546221625.db2.gz	SVSUKYXIAJOAAA-UHFFFAOYSA-N	2	0	360.502	2.077	20	30		FEEDRP
C#CC[NH+]1CCC(C(=O)NC2CC[NH+](CCc3ccccc3)CC2)CC1	ZINC000194051298	548428384	/nfs/dbraw/zinc/42/83/84/548428384.db2.gz	SPWRLTDMEZFGTB-UHFFFAOYSA-N	2	0	353.510	2.155	20	30		FEEDRP
C=CCc1ccc(OC[C@H](O)C[N@H+](C)C[C@@H]2CCC[NH+](C)C2)c(OC)c1	ZINC000246857385	549229687	/nfs/dbraw/zinc/22/96/87/549229687.db2.gz	KOKUIYJYAFEXDS-RTBURBONSA-N	2	0	362.514	2.437	20	30		FEEDRP
C=CC[NH+](CC=C)[C@H](CNC(=O)c1ccn([C@@H]2CCC[NH2+]C2)n1)C(C)C	ZINC000262822341	549853454	/nfs/dbraw/zinc/85/34/54/549853454.db2.gz	RIAHAAOKGLEPFI-IEBWSBKVSA-N	2	0	359.518	2.236	20	30		FEEDRP
[NH2+]=C(NCCCC[NH+]1CCOCC1)Nc1ccc(OC(F)(F)F)cc1	ZINC000264129939	549982848	/nfs/dbraw/zinc/98/28/48/549982848.db2.gz	XTNRDMTZAGFDEG-UHFFFAOYSA-N	2	0	360.380	2.424	20	30		FEEDRP
CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(C(=O)N2CCCCC2)cc1	ZINC000264153343	549985848	/nfs/dbraw/zinc/98/58/48/549985848.db2.gz	ZWUGRYDQOBQKQZ-LJQANCHMSA-N	2	0	371.529	2.201	20	30		FEEDRP
COc1cc(C[NH2+]CCCN2CCN(c3cc[nH+]cc3)CC2)ccc1C#N	ZINC000281640169	551123895	/nfs/dbraw/zinc/12/38/95/551123895.db2.gz	IVMONEKGCJKSNR-UHFFFAOYSA-N	2	0	365.481	2.264	20	30		FEEDRP
COc1ccc(C[NH2+]C2CCN(CC[NH+](C)C)CC2)cc1OCCCC#N	ZINC000299452655	553565074	/nfs/dbraw/zinc/56/50/74/553565074.db2.gz	RTGPVBDJUGKHKS-UHFFFAOYSA-N	2	0	374.529	2.493	20	30		FEEDRP
C[C@@H]1C[N@H+](Cc2ccc(N(C)CCC#N)cc2)CC[C@@H]1N1CC[NH+](C)CC1	ZINC000370695704	556942657	/nfs/dbraw/zinc/94/26/57/556942657.db2.gz	CKRJLLVLAFXEOZ-KNQAVFIVSA-N	2	0	369.557	2.494	20	30		FEEDRP
CN1CCN(c2ncc(CN3CC=C(c4ccc(C#N)cc4)CC3)cn2)CC1	ZINC000374284148	557857562	/nfs/dbraw/zinc/85/75/62/557857562.db2.gz	OHTUDDSTGAQIBG-UHFFFAOYSA-N	2	0	374.492	2.389	20	30		FEEDRP
C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2CCC(=O)Nc1ccccc1C#N	ZINC000374431856	557883265	/nfs/dbraw/zinc/88/32/65/557883265.db2.gz	ZASBXFDSJYZPDE-BHIYHBOVSA-N	2	0	356.470	2.070	20	30		FEEDRP
C[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]CCNC(=O)C2N=CC=CC2=O)CC1	ZINC000378407804	558549779	/nfs/dbraw/zinc/54/97/79/558549779.db2.gz	XSSWCMQEMACURK-LPYRORPOSA-N	2	0	360.502	2.146	20	30		FEEDRP
COc1ccc([C@@H](CNC(=O)[C@@H]([NH3+])CCCC#N)[NH+]2CCCCC2)cc1	ZINC000424144375	559656094	/nfs/dbraw/zinc/65/60/94/559656094.db2.gz	XJRKGJSRVGYNOD-RBUKOAKNSA-N	2	0	358.486	2.360	20	30		FEEDRP
COc1ccc([C@H](CNC(=O)[C@H]([NH3+])CCCC#N)[NH+]2CCCCC2)cc1	ZINC000424144373	559656118	/nfs/dbraw/zinc/65/61/18/559656118.db2.gz	XJRKGJSRVGYNOD-MOPGFXCFSA-N	2	0	358.486	2.360	20	30		FEEDRP
N#Cc1c(F)cccc1C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1	ZINC000427121499	559748429	/nfs/dbraw/zinc/74/84/29/559748429.db2.gz	JDLWKNBGKUEABJ-UHFFFAOYSA-N	2	0	367.428	2.034	20	30		FEEDRP
C[C@H](C(=O)NC1(C#N)CCC1)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000469605147	560959442	/nfs/dbraw/zinc/95/94/42/560959442.db2.gz	PRKUPYYMXUTGSA-IEBWSBKVSA-N	2	0	354.498	2.391	20	30		FEEDRP
C[C@@H]1CCC[N@H+](CCCC[NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)C1	ZINC000580543536	671816875	/nfs/dbraw/zinc/81/68/75/671816875.db2.gz	HFHOYDHWEOWCSR-QGZVFWFLSA-N	2	0	363.527	2.434	20	30		FEEDRP
C[NH+]=C(NCc1cnn(C)c1)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1	ZINC000262364976	672914412	/nfs/dbraw/zinc/91/44/12/672914412.db2.gz	JFPZUOZMUDFNKM-DOTOQJQBSA-N	2	0	360.531	2.230	20	30		FEEDRP
CC[NH+](CC)CCOc1ccccc1CNC(=[NH2+])N1CCSCC1	ZINC000303910194	673019354	/nfs/dbraw/zinc/01/93/54/673019354.db2.gz	YRKUVWCKPNLQMJ-UHFFFAOYSA-N	2	0	350.532	2.271	20	30		FEEDRP
CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCOc1ccc(Br)cc1	ZINC000303975643	673019780	/nfs/dbraw/zinc/01/97/80/673019780.db2.gz	JGTBHKQCSFZSNG-CQSZACIVSA-N	2	0	369.307	2.217	20	30		FEEDRP
C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)[C@H]([NH3+])CCCCC#N	ZINC000594435474	673071413	/nfs/dbraw/zinc/07/14/13/673071413.db2.gz	FQSQHCRSBKDPBL-QGZVFWFLSA-N	2	0	352.429	2.266	20	30		FEEDRP
C[C@@H]1[C@H](C(=O)NC[C@H]2CCC[NH+](Cc3ccc(C#N)s3)C2)CC[N@@H+]1C	ZINC001023379679	680258161	/nfs/dbraw/zinc/25/81/61/680258161.db2.gz	MKIIGHMMAFBGTB-IIDMSEBBSA-N	2	0	360.527	2.288	20	30		FEEDRP
CC[NH+]1CCN([C@@H](C)CNC(NC(C)(C)C)=[NH+]CCCSC)CC1	ZINC000912506781	685388635	/nfs/dbraw/zinc/38/86/35/685388635.db2.gz	BWBWJFZMINPRMP-INIZCTEOSA-N	2	0	357.612	2.099	20	30		FEEDRP
N#C[C@H]1C[NH2+]C[C@H]1NC(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1	ZINC000846313142	681223792	/nfs/dbraw/zinc/22/37/92/681223792.db2.gz	KJSMCYMXNXZXIX-WMLDXEAASA-N	2	0	359.499	2.108	20	30		FEEDRP
Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)C#CC1CC[NH2+]CC1	ZINC000852863420	682351361	/nfs/dbraw/zinc/35/13/61/682351361.db2.gz	OBDPQFCJHPEANO-UHFFFAOYSA-N	2	0	357.523	2.485	20	30		FEEDRP
C=C(Cl)C[C@@H]([NH3+])C(=O)NCCCC[NH+]1CCN(c2ccccc2)CC1	ZINC000876782645	686267978	/nfs/dbraw/zinc/26/79/78/686267978.db2.gz	YAOPDHSYERPPCC-GOSISDBHSA-N	2	0	364.921	2.175	20	30		FEEDRP
CC(C)C[N@H+](C[C@@H](O)CC1(C#N)CCOCC1)CC1CC[NH+](C)CC1	ZINC000879703417	686891581	/nfs/dbraw/zinc/89/15/81/686891581.db2.gz	LYBAWEQZHHAFJR-IBGZPJMESA-N	2	0	351.535	2.358	20	30		FEEDRP
N#CCc1ccc(OC[C@H](O)CN2CCC[C@H]([NH+]3CCCC3)CC2)cc1	ZINC000151147547	544510143	/nfs/dbraw/zinc/51/01/43/544510143.db2.gz	IYBSVDLQVBGKQD-VQTJNVASSA-N	2	0	357.498	2.443	20	30		FEEDRP
CC(C)[NH+]1CCN(CCC[N@@H+]2CCCN(c3ccccc3C#N)CC2)CC1	ZINC000191477846	328267670	/nfs/dbraw/zinc/26/76/70/328267670.db2.gz	KGYNOGMGXWHVLK-UHFFFAOYSA-N	2	0	369.557	2.486	20	30		FEEDRP
COCCN1CCC[C@H]1C[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1	ZINC000180163872	547060593	/nfs/dbraw/zinc/06/05/93/547060593.db2.gz	LPNFDZKOJKKWHH-IBGZPJMESA-N	2	0	353.470	2.159	20	30		FEEDRP
C=CCNC(=O)[C@@H](C)[NH2+][C@H](C)c1cc(F)ccc1N1CC[NH+](CC)CC1	ZINC000181640559	547350445	/nfs/dbraw/zinc/35/04/45/547350445.db2.gz	BFQRYOQSJYGFEY-HZPDHXFCSA-N	2	0	362.493	2.309	20	30		FEEDRP
C=CCNC(=O)[C@H](C)[NH2+][C@H](C)c1cc(F)ccc1N1CC[NH+](CC)CC1	ZINC000181640515	547350950	/nfs/dbraw/zinc/35/09/50/547350950.db2.gz	BFQRYOQSJYGFEY-CVEARBPZSA-N	2	0	362.493	2.309	20	30		FEEDRP
C#CC[NH+]1CCC(C(=O)N(CC)[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1	ZINC000186339759	548122132	/nfs/dbraw/zinc/12/21/32/548122132.db2.gz	VHEXHODZQATVDC-NRFANRHFSA-N	2	0	353.510	2.455	20	30		FEEDRP
C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H](C)C1	ZINC000249757896	549625567	/nfs/dbraw/zinc/62/55/67/549625567.db2.gz	LHHKGTVHQRNXOF-IAGOWNOFSA-N	2	0	372.513	2.408	20	30		FEEDRP
C[NH+]=C(NCc1coc(-c2ccccc2)n1)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C	ZINC000262010026	549779435	/nfs/dbraw/zinc/77/94/35/549779435.db2.gz	WJQYZYLBFQEYPU-RDTXWAMCSA-N	2	0	353.470	2.489	20	30		FEEDRP
C[NH+]=C(NCc1c(C)nn(C)c1C)NC[C@H](C)N1CCc2sccc2C1	ZINC000262773373	549848652	/nfs/dbraw/zinc/84/86/52/549848652.db2.gz	HRDOXEKOYCGEDR-ZDUSSCGKSA-N	2	0	374.558	2.210	20	30		FEEDRP
CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Cc1ccc(OCC#N)cc1	ZINC000264713199	550000215	/nfs/dbraw/zinc/00/02/15/550000215.db2.gz	WHNSZSBEYMCCMY-IBGZPJMESA-N	2	0	372.513	2.006	20	30		FEEDRP
C[C@H]([NH2+]CCCCC#N)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1	ZINC000268958673	550137178	/nfs/dbraw/zinc/13/71/78/550137178.db2.gz	ZNDHLPWZTDJGHQ-INIZCTEOSA-N	2	0	366.531	2.261	20	30		FEEDRP
C=C(C)[C@H](CC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)OCC	ZINC000270104344	550249573	/nfs/dbraw/zinc/24/95/73/550249573.db2.gz	RFCABEYKRBXWJZ-IBGZPJMESA-N	2	0	360.502	2.081	20	30		FEEDRP
O=C(NCc1ccccc1C[N@H+]1CC[C@H](O)C1)[C@H]1CCn2cncc2C1	ZINC000329474312	553953260	/nfs/dbraw/zinc/95/32/60/553953260.db2.gz	SSVDNCUVIHFMTH-KXBFYZLASA-N	2	0	354.454	2.169	20	30		FEEDRP
Cc1ccc(C[N@H+]2CC[C@@H](CN(C)CC(=O)NC3(C#N)CCC3)C2)s1	ZINC000518777957	562118212	/nfs/dbraw/zinc/11/82/12/562118212.db2.gz	DLTOPPZWLXGDIS-INIZCTEOSA-N	2	0	360.527	2.373	20	30		FEEDRP
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CCCC[C@H]1C[NH3+]	ZINC000418436139	559401535	/nfs/dbraw/zinc/40/15/35/559401535.db2.gz	WTFZBQKYJDKNPU-OALUTQOASA-N	2	0	357.502	2.149	20	30		FEEDRP
C[NH+]=C(NC[C@H]1CC[N@H+](C)C1)N(C)Cc1ccccc1Br	ZINC000073742398	670506534	/nfs/dbraw/zinc/50/65/34/670506534.db2.gz	VHYPJZYYEVKQNV-CYBMUJFWSA-N	2	0	353.308	2.408	20	30		FEEDRP
C[NH+]=C(NCc1ccnn1C)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1	ZINC000081984783	670651255	/nfs/dbraw/zinc/65/12/55/670651255.db2.gz	DMRFEAUOLIFXGN-YOEHRIQHSA-N	2	0	360.531	2.230	20	30		FEEDRP
C[NH+]=C(NCc1cnn(C)c1)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1	ZINC000081984094	670651625	/nfs/dbraw/zinc/65/16/25/670651625.db2.gz	JFPZUOZMUDFNKM-RDJZCZTQSA-N	2	0	360.531	2.230	20	30		FEEDRP
C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+]C[C@H](O)CC2(C#N)CCOCC2)C1	ZINC000600717685	673793839	/nfs/dbraw/zinc/79/38/39/673793839.db2.gz	SMHANNYNEWBPLB-CEXWTWQISA-N	2	0	351.535	2.405	20	30		FEEDRP
CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1snc(C)c1C#N	ZINC000839100711	680737868	/nfs/dbraw/zinc/73/78/68/680737868.db2.gz	DLLMMZGPVLKVLE-AWEZNQCLSA-N	2	0	364.519	2.203	20	30		FEEDRP
C=C(C[NH+](C)C)C(=O)NC1CC[NH+](CCOc2ccc(Cl)cc2)CC1	ZINC000764538907	680813668	/nfs/dbraw/zinc/81/36/68/680813668.db2.gz	NKINEUXEYRIURX-UHFFFAOYSA-N	2	0	365.905	2.417	20	30		FEEDRP
C[C@@H]1[C@H](C(=O)NCC2CC[NH+](Cc3ccc(C#N)s3)CC2)CC[N@@H+]1C	ZINC001001419975	680461112	/nfs/dbraw/zinc/46/11/12/680461112.db2.gz	APSUTKZFXUNESM-RDTXWAMCSA-N	2	0	360.527	2.288	20	30		FEEDRP
CC(C)(C)[NH+]=C(NCCc1cccs1)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1	ZINC000912507652	685388737	/nfs/dbraw/zinc/38/87/37/685388737.db2.gz	YYFMYIAEMAVILZ-JKSUJKDBSA-N	2	0	364.559	2.488	20	30		FEEDRP
C=CCc1cc(C[N@H+]2CC[C@H](N3CC[NH+](CC)CC3)C2)cc(OC)c1O	ZINC000093132885	542910898	/nfs/dbraw/zinc/91/08/98/542910898.db2.gz	KMKVIWJDZVVNFJ-IBGZPJMESA-N	2	0	359.514	2.341	20	30		FEEDRP
C=CCc1ccc(OC[C@@H](O)C[N@H+](C)C[C@H]2CCC[NH+](C)C2)c(OC)c1	ZINC000152473794	544658952	/nfs/dbraw/zinc/65/89/52/544658952.db2.gz	KOKUIYJYAFEXDS-OALUTQOASA-N	2	0	362.514	2.437	20	30		FEEDRP
C[NH+]1CCC2(CCC[N@@H+]([C@@H]3CCN(c4ccc(C#N)cc4)C3=O)C2)CC1	ZINC000367201683	330229440	/nfs/dbraw/zinc/22/94/40/330229440.db2.gz	USCDMZYNMXGSJQ-LJQANCHMSA-N	2	0	352.482	2.471	20	30		FEEDRP
CC[N@H+](CC1CCN(c2ccccn2)CC1)[C@@H](C)C(=O)N(C)CCC#N	ZINC000160017582	546000594	/nfs/dbraw/zinc/00/05/94/546000594.db2.gz	OIINVBMOKYHQDE-KRWDZBQOSA-N	2	0	357.502	2.380	20	30		FEEDRP
COc1cc(C#N)ccc1CN1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1	ZINC000182593934	547518945	/nfs/dbraw/zinc/51/89/45/547518945.db2.gz	DSBKUUSECZMEIU-YOFSQIOKSA-N	2	0	354.498	2.310	20	30		FEEDRP
N#Cc1ccc(OC[C@H](O)C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1	ZINC000246522773	549152092	/nfs/dbraw/zinc/15/20/92/549152092.db2.gz	IWOAARHBKFMFDJ-DSKINZAPSA-N	2	0	355.482	2.247	20	30		FEEDRP
C[NH+]=C(NC[C@H](O)c1cc(Cl)cc(Cl)c1)NC[C@@H]1CC[N@H+](C)C1	ZINC000261950788	549773742	/nfs/dbraw/zinc/77/37/42/549773742.db2.gz	NYNCDFHPBUXHTD-NHYWBVRUSA-N	2	0	359.301	2.144	20	30		FEEDRP
CC[C@@H](C)NC(=O)c1cccc(CNC(=[NH2+])NC[C@H]2CCC[N@@H+]2CC)c1	ZINC000264121759	549981446	/nfs/dbraw/zinc/98/14/46/549981446.db2.gz	VGUBMXZQEPVJDZ-CRAIPNDOSA-N	2	0	359.518	2.104	20	30		FEEDRP
C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)CC1	ZINC000267272716	550029447	/nfs/dbraw/zinc/02/94/47/550029447.db2.gz	ARIQPXWYALIDMC-NQIIRXRSSA-N	2	0	353.510	2.358	20	30		FEEDRP
C[NH+]1CC=C(CNc2nc(NCC3=CC[N@H+](C)CC3)ccc2C#N)CC1	ZINC000278192538	550759277	/nfs/dbraw/zinc/75/92/77/550759277.db2.gz	DQFASNIBQVXRHH-UHFFFAOYSA-N	2	0	352.486	2.301	20	30		FEEDRP
COc1cc(C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)nc2)ccc1C#N	ZINC000281623163	551121753	/nfs/dbraw/zinc/12/17/53/551121753.db2.gz	HPDYJAQZPTURSR-UHFFFAOYSA-N	2	0	351.454	2.003	20	30		FEEDRP
C#CC[NH+]1CCC(C(=O)NC[C@@H](c2ccc(SC)cc2)[NH+](C)C)CC1	ZINC000294542444	552914462	/nfs/dbraw/zinc/91/44/62/552914462.db2.gz	UCNOLOOACPWIRM-IBGZPJMESA-N	2	0	359.539	2.473	20	30		FEEDRP
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12	ZINC000298732917	553465686	/nfs/dbraw/zinc/46/56/86/553465686.db2.gz	MJBMIVXYLRFZIW-UXHICEINSA-N	2	0	369.513	2.258	20	30		FEEDRP
COc1cccc(NC(=[NH2+])NCC2(N3CCCCC3)CC[NH+](C)CC2)c1	ZINC000304784799	553747467	/nfs/dbraw/zinc/74/74/67/553747467.db2.gz	HRTRWGLCILZRCH-UHFFFAOYSA-N	2	0	359.518	2.372	20	30		FEEDRP
C[N@@H+]1CC[C@@H]2CCN(C(=O)N[C@@H]3CCc4nc(C(C)(C)C)cn4C3)[C@H]2C1	ZINC000329537684	553963790	/nfs/dbraw/zinc/96/37/90/553963790.db2.gz	MGPJJVRQCDUNDX-OAGGEKHMSA-N	2	0	359.518	2.435	20	30		FEEDRP
C[C@H]1COC(C)(C)CN1CC(=O)NCC1([NH+]2CCOCC2)CCCCC1	ZINC000330124471	554068844	/nfs/dbraw/zinc/06/88/44/554068844.db2.gz	BFERNJYBVWVFDL-KRWDZBQOSA-N	2	0	367.534	2.477	20	30		FEEDRP
CCC[NH+]1CCC(N(C)C(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)CC1	ZINC000330210264	554085658	/nfs/dbraw/zinc/08/56/58/554085658.db2.gz	CFQFFQKVTDTDKA-RTBURBONSA-N	2	0	366.550	2.084	20	30		FEEDRP
C[N@H+](C[C@@H]1CC12CC[NH+](C[C@@H](O)COc1ccc(C#N)cc1)CC2)C1CC1	ZINC000362618189	554975802	/nfs/dbraw/zinc/97/58/02/554975802.db2.gz	WYQOMWDITWQBCJ-AZUAARDMSA-N	2	0	369.509	2.494	20	30		FEEDRP
C[NH+]1CCC(N2CC[C@@H]([NH2+]C3CCN(c4ccc(C#N)cc4)CC3)C2)CC1	ZINC000367616630	556098655	/nfs/dbraw/zinc/09/86/55/556098655.db2.gz	LSQGPHJRQJCLNQ-HXUWFJFHSA-N	2	0	367.541	2.285	20	30		FEEDRP
CN1c2ccccc2N(C)C1=C1C(=N)N([C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1=O	ZINC000371439153	557187070	/nfs/dbraw/zinc/18/70/70/557187070.db2.gz	SJBMKFACVKIOPE-GJZGRUSLSA-N	2	0	365.481	2.273	20	30		FEEDRP
C[NH+](C)CCNC(=O)c1cccc(C[NH2+]Cc2ccc(C#N)c(F)c2)c1	ZINC000421322917	559539133	/nfs/dbraw/zinc/53/91/33/559539133.db2.gz	HJFNGRPRFXVMOE-UHFFFAOYSA-N	2	0	354.429	2.279	20	30		FEEDRP
C=CCC1(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CCOCC1	ZINC000424635561	559671776	/nfs/dbraw/zinc/67/17/76/559671776.db2.gz	ZVKRHVLWVNXLOM-UHFFFAOYSA-N	2	0	372.513	2.083	20	30		FEEDRP
C=C[C@@H]1OCCC[C@H]1[NH2+]CC(=O)N1CCC[N@@H+](Cc2ccccc2C)CC1	ZINC000451677548	560321610	/nfs/dbraw/zinc/32/16/10/560321610.db2.gz	UYHPKZOAHWNBNB-RTWAWAEBSA-N	2	0	371.525	2.353	20	30		FEEDRP
C[C@@H]1C[C@H](NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)CC[N@@H+]1C	ZINC000466033205	560878442	/nfs/dbraw/zinc/87/84/42/560878442.db2.gz	BKNWBBRXQYPNDZ-VQIMIIECSA-N	2	0	357.502	2.114	20	30		FEEDRP
CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cc(C#N)cc(N(C)C)c1	ZINC000550008522	562641880	/nfs/dbraw/zinc/64/18/80/562641880.db2.gz	BPJGWIVRSJZBNL-IBGZPJMESA-N	2	0	371.529	2.112	20	30		FEEDRP
CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1cc(Br)ccc1F	ZINC000262006410	672907431	/nfs/dbraw/zinc/90/74/31/672907431.db2.gz	RQOFFUIDNXGYET-CYBMUJFWSA-N	2	0	357.271	2.477	20	30		FEEDRP
C[NH+]=C(NCC1([NH+]2CCSCC2)CCCC1)N1CC[C@@]2(CCOC2)C1	ZINC000262024246	672907890	/nfs/dbraw/zinc/90/78/90/672907890.db2.gz	ZIECVVUQDSNFEG-GOSISDBHSA-N	2	0	366.575	2.036	20	30		FEEDRP
C[NH+]=C(NC[C@H](O)C1CCCCC1)N1CC[C@@H](C[NH+]2CCCCC2)C1	ZINC000262758501	672920556	/nfs/dbraw/zinc/92/05/56/672920556.db2.gz	CHWVYRIMWCGPSD-HKUYNNGSSA-N	2	0	350.551	2.311	20	30		FEEDRP
C[NH+](C)CCN1CCC([NH2+]Cc2cc(C#N)ccc2Br)CC1	ZINC000921519207	683491314	/nfs/dbraw/zinc/49/13/14/683491314.db2.gz	BQITVMPCZKUAIB-UHFFFAOYSA-N	2	0	365.319	2.436	20	30		FEEDRP
C=C(Cl)C[C@H]([NH3+])C(=O)Nc1cccc(C(=O)OC2CC[NH2+]CC2)c1	ZINC000876520176	686213938	/nfs/dbraw/zinc/21/39/38/686213938.db2.gz	RSKWHBGOWAJWRL-HNNXBMFYSA-N	2	0	351.834	2.004	20	30		FEEDRP
C#CC[NH+]1CCC(C(=O)NC[C@@H](c2cccc(OC)c2)[NH+]2CCCC2)CC1	ZINC000057126729	540770903	/nfs/dbraw/zinc/77/09/03/540770903.db2.gz	NNPFOLANTRASNN-NRFANRHFSA-N	2	0	369.509	2.294	20	30		FEEDRP
CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1nccn1CCc1ccccc1	ZINC000081525022	542663502	/nfs/dbraw/zinc/66/35/02/542663502.db2.gz	OMUXIYUWGWUFCU-GOSISDBHSA-N	2	0	354.502	2.014	20	30		FEEDRP
C=CCNC(=O)NC(=O)[C@@H](C)[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1	ZINC000092821465	542889088	/nfs/dbraw/zinc/88/90/88/542889088.db2.gz	KQDGPXITWIHZFY-MRXNPFEDSA-N	2	0	373.501	2.020	20	30		FEEDRP
CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1cccc(NC(=O)N2CCCC2)c1	ZINC000104177151	543125420	/nfs/dbraw/zinc/12/54/20/543125420.db2.gz	PVRUKUVPZMTWLC-GOSISDBHSA-N	2	0	372.517	2.203	20	30		FEEDRP
C=C(C)C[NH+]1CCC(NC(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)CC1	ZINC000106328534	543223764	/nfs/dbraw/zinc/22/37/64/543223764.db2.gz	BHGZEMTWTDDPSI-FQEVSTJZSA-N	2	0	358.530	2.499	20	30		FEEDRP
CC(C)[C@](C)(C#N)NC(=O)CN(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000247494680	549343695	/nfs/dbraw/zinc/34/36/95/549343695.db2.gz	LFDHVNZCPWZYJG-CTNGQTDRSA-N	2	0	356.514	2.495	20	30		FEEDRP
Cn1cc(C[NH2+]CC2CC[NH+](C[C@H](O)c3ccccc3)CC2)cc1C#N	ZINC000190973019	328242906	/nfs/dbraw/zinc/24/29/06/328242906.db2.gz	JJVWORLSMNPNSA-NRFANRHFSA-N	2	0	352.482	2.432	20	30		FEEDRP
COc1ccc(C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)nc2)cc1C#N	ZINC000174261076	327315912	/nfs/dbraw/zinc/31/59/12/327315912.db2.gz	WTZOGMZQPCBCRV-UHFFFAOYSA-N	2	0	351.454	2.003	20	30		FEEDRP
C[N@H+](Cc1ccccc1)CC(C)(C)C[NH2+]CCNC(=O)C1N=CC=CC1=O	ZINC000177559844	546643883	/nfs/dbraw/zinc/64/38/83/546643883.db2.gz	KMSRCAQMQAKBNS-VXPUYCOJSA-N	2	0	370.497	2.261	20	30		FEEDRP
C=CC[NH+]1CCC(NC(=O)c2ccc(C[NH+]3CCC(CO)CC3)cc2)CC1	ZINC000179183977	546911206	/nfs/dbraw/zinc/91/12/06/546911206.db2.gz	MKZLGNLLZFEOBM-UHFFFAOYSA-N	2	0	371.525	2.271	20	30		FEEDRP
C[C@H]1CCC[C@H]([NH+]2CCC([NH2+]CCNC(=O)C3N=CC=CC3=O)CC2)C1	ZINC000180882631	547201828	/nfs/dbraw/zinc/20/18/28/547201828.db2.gz	LVXJUWBHHFKYET-WXOYBGPJSA-N	2	0	360.502	2.146	20	30		FEEDRP
CC[NH+]1CCN([C@H](C)C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)CC1	ZINC000181500202	547324868	/nfs/dbraw/zinc/32/48/68/547324868.db2.gz	VDWKESQUMRALEI-LJQANCHMSA-N	2	0	369.557	2.138	20	30		FEEDRP
C=CC[NH+](CC=C)[C@@H](CNC(=O)c1ccn([C@H]2CCC[NH2+]C2)n1)C(C)C	ZINC000262822339	549853286	/nfs/dbraw/zinc/85/32/86/549853286.db2.gz	RIAHAAOKGLEPFI-HKUYNNGSSA-N	2	0	359.518	2.236	20	30		FEEDRP
Cc1cc(C)cc(NC(=[NH2+])NCc2ccc(N3CC[NH+](C)CC3)nc2)c1	ZINC000264056925	549973661	/nfs/dbraw/zinc/97/36/61/549973661.db2.gz	BLRRTJIFHJMVBJ-UHFFFAOYSA-N	2	0	352.486	2.377	20	30		FEEDRP
CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCCc1nc(-c2ccc(F)cc2)no1	ZINC000273323172	550494366	/nfs/dbraw/zinc/49/43/66/550494366.db2.gz	GTTBKPXBYFIJQO-INIZCTEOSA-N	2	0	374.464	2.197	20	30		FEEDRP
COc1ccc(C[NH2+][C@H](C)CCN2CC[NH+](C)CC2)cc1OCCCC#N	ZINC000274630544	550546991	/nfs/dbraw/zinc/54/69/91/550546991.db2.gz	ZJOWXUBMZWBBQC-GOSISDBHSA-N	2	0	374.529	2.493	20	30		FEEDRP
C#CC[NH+]1CCC(C(=O)N2c3ccc(C)cc3[C@@H]3C[N@H+](C)CC[C@@H]32)CC1	ZINC000279443870	550890970	/nfs/dbraw/zinc/89/09/70/550890970.db2.gz	BKOSMFLUKCNVII-FPOVZHCZSA-N	2	0	351.494	2.475	20	30		FEEDRP
CC[N@@H+]1C[C@H](C)N(C(=O)NC2CC[NH+](Cc3ccccn3)CC2)C[C@H]1C	ZINC000328977539	553857542	/nfs/dbraw/zinc/85/75/42/553857542.db2.gz	QLDXAXSMRQAYNO-SJORKVTESA-N	2	0	359.518	2.375	20	30		FEEDRP
C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)CC1	ZINC000365746080	555658118	/nfs/dbraw/zinc/65/81/18/555658118.db2.gz	HVMLIRBOLWADCY-YADHBBJMSA-N	2	0	365.521	2.312	20	30		FEEDRP
Cc1oc(C#N)cc1C(=O)NCCC1CC[NH+](C2CCN(C)CC2)CC1	ZINC000366670181	555904155	/nfs/dbraw/zinc/90/41/55/555904155.db2.gz	SNSQSVGJQZHIQB-UHFFFAOYSA-N	2	0	358.486	2.386	20	30		FEEDRP
COc1cc(C[NH2+]C[C@@H]2CCCN(C)[C@H]2c2cnn(C)c2)ccc1C#N	ZINC000366929026	555973577	/nfs/dbraw/zinc/97/35/77/555973577.db2.gz	XZIZRESRAATVFH-FXAWDEMLSA-N	2	0	353.470	2.473	20	30		FEEDRP
C[C@@H](C#N)Oc1ccc(C[N@@H+]2CCC[C@@H](CN3CC[NH+](C)CC3)C2)cc1	ZINC000368050181	556204525	/nfs/dbraw/zinc/20/45/25/556204525.db2.gz	DEHNLCVKKYLXGG-ICSRJNTNSA-N	2	0	356.514	2.437	20	30		FEEDRP
CN(CCC#N)c1ccc(C[NH2+][C@H]2CCN(C3CC[NH+](C)CC3)C2)cc1	ZINC000369278148	556561895	/nfs/dbraw/zinc/56/18/95/556561895.db2.gz	PSUGFZIUOPOWHP-IBGZPJMESA-N	2	0	355.530	2.295	20	30		FEEDRP
Cc1nn(C)c(N2CCC[N@H+](C)CC2)c1C[NH2+]Cc1ccc(C#N)cc1	ZINC000369288548	556566158	/nfs/dbraw/zinc/56/61/58/556566158.db2.gz	RNANXXAOGZVZSJ-UHFFFAOYSA-N	2	0	352.486	2.032	20	30		FEEDRP
C=CC[NH+]1CCC(NC(=O)NC[C@@H]2CCC[N@H+](Cc3cccnc3)C2)CC1	ZINC000376223995	558143992	/nfs/dbraw/zinc/14/39/92/558143992.db2.gz	DKMHCZSEIRRKJD-IBGZPJMESA-N	2	0	371.529	2.243	20	30		FEEDRP
C[C@H]1C[C@H](NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)CC[N@@H+]1C	ZINC000466033204	560878518	/nfs/dbraw/zinc/87/85/18/560878518.db2.gz	BKNWBBRXQYPNDZ-QFBILLFUSA-N	2	0	357.502	2.114	20	30		FEEDRP
C[NH+]=C(NC[C@]1(C)CCCC[C@@H]1O)N1CC[C@H](C[NH+]2CCCCC2)C1	ZINC000262749627	672920114	/nfs/dbraw/zinc/92/01/14/672920114.db2.gz	BMAHRXWBMWTEJK-HBFSDRIKSA-N	2	0	350.551	2.311	20	30		FEEDRP
C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+]C[C@@H](O)CC2(C#N)CCOCC2)C1	ZINC000600717694	673794076	/nfs/dbraw/zinc/79/40/76/673794076.db2.gz	SMHANNYNEWBPLB-OTWHNJEPSA-N	2	0	351.535	2.405	20	30		FEEDRP
C[NH+](C)CCCN(CCC[NH+](C)C)c1cc(C#N)c(Br)cn1	ZINC000603305775	673924047	/nfs/dbraw/zinc/92/40/47/673924047.db2.gz	UEILTDREOOUIRE-UHFFFAOYSA-N	2	0	368.323	2.426	20	30		FEEDRP
C=C(C)C[NH+]1CCC(NC(=O)N2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)CC1	ZINC000626970747	676731545	/nfs/dbraw/zinc/73/15/45/676731545.db2.gz	RSPUZGLUQLJFAR-DZGCQCFKSA-N	2	0	362.440	2.196	20	30		FEEDRP
C=C(Cl)C[C@@H]([NH3+])C(=O)N(C)C1CC[NH+](CCc2ccccn2)CC1	ZINC000876740488	686257825	/nfs/dbraw/zinc/25/78/25/686257825.db2.gz	FAAXTLBFQNKYAK-QGZVFWFLSA-N	2	0	350.894	2.017	20	30		FEEDRP
CC[NH+](CC)[C@H](CNC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N)c1ccsc1	ZINC000884188681	687812218	/nfs/dbraw/zinc/81/22/18/687812218.db2.gz	NKGLUTHJPABLFO-VZDIDWBNSA-N	2	0	360.527	2.387	20	30		FEEDRP
C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](Cc2ccccc2C#N)CC1	ZINC000076324983	542260237	/nfs/dbraw/zinc/26/02/37/542260237.db2.gz	JVMHYUNVJNPPJB-UHFFFAOYSA-N	2	0	356.514	2.474	20	30		FEEDRP
CCN(CCC#N)C(=O)C[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1	ZINC000092820901	542888373	/nfs/dbraw/zinc/88/83/73/542888373.db2.gz	ZBBZNEBSVNCIOP-UHFFFAOYSA-N	2	0	357.502	2.382	20	30		FEEDRP
C[N@@H+]1CCC[C@H](CNC(=O)N2CCC[NH+](Cc3ccc(C#N)cc3)CC2)C1	ZINC000108590233	543296024	/nfs/dbraw/zinc/29/60/24/543296024.db2.gz	LEUOZZALGBERSD-HXUWFJFHSA-N	2	0	369.513	2.117	20	30		FEEDRP
C=CC[NH+]1CCC(NC(=O)N[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1	ZINC000124467698	543823673	/nfs/dbraw/zinc/82/36/73/543823673.db2.gz	VMCGXOOGSQPKNF-PXNSSMCTSA-N	2	0	356.514	2.457	20	30		FEEDRP
C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)CC1	ZINC000131785333	544206916	/nfs/dbraw/zinc/20/69/16/544206916.db2.gz	PCAVEAPZMFUTDJ-QUCCMNQESA-N	2	0	353.510	2.358	20	30		FEEDRP
N#Cc1ccc(OC[C@H](O)C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1	ZINC000134876364	544324674	/nfs/dbraw/zinc/32/46/74/544324674.db2.gz	IWOAARHBKFMFDJ-YFVAEKQCSA-N	2	0	355.482	2.247	20	30		FEEDRP
Cn1cc(C[NH2+]CCCN2CC[N@H+](C)C[C@@H]2c2ccccc2)cc1C#N	ZINC000190752393	328230214	/nfs/dbraw/zinc/23/02/14/328230214.db2.gz	PEYXJMZAWGJSBS-OAQYLSRUSA-N	2	0	351.498	2.365	20	30		FEEDRP
Cn1cc(C[NH2+]Cc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)cc1C#N	ZINC000191121544	328250797	/nfs/dbraw/zinc/25/07/97/328250797.db2.gz	XECJFGQEVUNMBW-UHFFFAOYSA-N	2	0	365.481	2.012	20	30		FEEDRP
C[NH+](C)C1CCN(CCNC(=[NH2+])Nc2ccccc2OC(F)(F)F)CC1	ZINC000160718341	546065788	/nfs/dbraw/zinc/06/57/88/546065788.db2.gz	MOZQSHYCDGTKDV-UHFFFAOYSA-N	2	0	373.423	2.338	20	30		FEEDRP
COc1ccccc1CNC(=[NH2+])NCc1ccc(OCC[NH+](C)C)cc1	ZINC000170911360	546182022	/nfs/dbraw/zinc/18/20/22/546182022.db2.gz	NIRPAVCRORUDCB-UHFFFAOYSA-N	2	0	356.470	2.240	20	30		FEEDRP
C[C@H](C#N)Oc1ccc(C[NH2+]Cc2cccnc2N2CC[NH+](C)CC2)cc1	ZINC000171563464	546214226	/nfs/dbraw/zinc/21/42/26/546214226.db2.gz	WQTRYJIXORRJOL-QGZVFWFLSA-N	2	0	365.481	2.414	20	30		FEEDRP
C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]CCNC(=O)C3N=CC=CC3=O)CC2)C1	ZINC000180882650	547201213	/nfs/dbraw/zinc/20/12/13/547201213.db2.gz	LVXJUWBHHFKYET-DBROBJPSSA-N	2	0	360.502	2.146	20	30		FEEDRP
CC(C)CNC(=[NH2+])NCc1cccc(OCC[N@H+](C)C2CCOCC2)c1	ZINC000264264210	549993173	/nfs/dbraw/zinc/99/31/73/549993173.db2.gz	JZOMBDQEFXVGSQ-UHFFFAOYSA-N	2	0	362.518	2.237	20	30		FEEDRP
C[NH+](C)C1(CNC(=[NH2+])NCc2cccc(C(F)(F)F)c2)CCOCC1	ZINC000267386636	550030519	/nfs/dbraw/zinc/03/05/19/550030519.db2.gz	BVJGUXYGLURFQQ-UHFFFAOYSA-N	2	0	358.408	2.221	20	30		FEEDRP
NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CNC(=[NH2+])Nc3ccccc3)c2)C1	ZINC000267467615	550032360	/nfs/dbraw/zinc/03/23/60/550032360.db2.gz	WWOKGIGQPJULSC-GOSISDBHSA-N	2	0	365.481	2.311	20	30		FEEDRP
COc1ccc(NC(=[NH2+])NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)cc1	ZINC000273017215	550480932	/nfs/dbraw/zinc/48/09/32/550480932.db2.gz	WKTCPUJWYQXXRO-SFHVURJKSA-N	2	0	354.454	2.189	20	30		FEEDRP
N#Cc1ccc(N2CCC([NH2+]C3CC[NH+]([C@@H]4CCC[C@@H]4O)CC3)CC2)cc1	ZINC000286096614	551848266	/nfs/dbraw/zinc/84/82/66/551848266.db2.gz	MIQLYVFKMZVUBN-YADHBBJMSA-N	2	0	368.525	2.494	20	30		FEEDRP
CN(CCC#N)c1ccc(C[N@@H+](C)CCN(C)C2CC[NH+](C)CC2)cc1	ZINC000289404905	552316041	/nfs/dbraw/zinc/31/60/41/552316041.db2.gz	HAVZHVYNWUHRGI-UHFFFAOYSA-N	2	0	357.546	2.494	20	30		FEEDRP
CCOCCCNC(=[NH2+])NC[C@H]1CCC[N@H+](C)[C@H]1c1ccc(OC)cc1	ZINC000304757421	553747420	/nfs/dbraw/zinc/74/74/20/553747420.db2.gz	OVPITPQJGBGKJG-MJGOQNOKSA-N	2	0	362.518	2.409	20	30		FEEDRP
CC(C)(C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1)N1CCOCC1	ZINC000329871546	554022455	/nfs/dbraw/zinc/02/24/55/554022455.db2.gz	AUDKBGHNDUFJGM-UHFFFAOYSA-N	2	0	367.534	2.336	20	30		FEEDRP
CC[N@@H+]1CC[C@H](N(C)C(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)C[C@@H]1C	ZINC000330227973	554089074	/nfs/dbraw/zinc/08/90/74/554089074.db2.gz	PLBUGPSUXSBDQU-KANFNMMFSA-N	2	0	366.550	2.083	20	30		FEEDRP
C[C@@H]1C[C@H]([NH+]2CCCC2)CN1CC#CCN1C[C@@H]([NH+]2CCCC2)C[C@@H]1C	ZINC000375795199	558080704	/nfs/dbraw/zinc/08/07/04/558080704.db2.gz	WJJCAPWOXDXKCW-LRSLUSHPSA-N	2	0	358.574	2.107	20	30		FEEDRP
C=CCc1cc(C[N@@H+]2CCC[C@H](n3cc(C[NH3+])nn3)C2)cc(OC)c1O	ZINC000415129712	559207036	/nfs/dbraw/zinc/20/70/36/559207036.db2.gz	PMFPVFYPAVMRAI-KRWDZBQOSA-N	2	0	357.458	2.017	20	30		FEEDRP
C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)CC(=O)NC1(C#N)CCC1	ZINC000527128593	562277262	/nfs/dbraw/zinc/27/72/62/562277262.db2.gz	CVCYMSBQEWFWCC-UHFFFAOYSA-N	2	0	355.486	2.182	20	30		FEEDRP
C=CC[NH+](CC=C)[C@H](CNC(=O)c1c[nH]nc1[C@H]1CCC[NH2+]C1)C(C)C	ZINC000423323680	559625473	/nfs/dbraw/zinc/62/54/73/559625473.db2.gz	AKVOYMCIRMLFLZ-FUHWJXTLSA-N	2	0	359.518	2.305	20	30		FEEDRP
N#Cc1ccccc1OC[C@H](O)C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1	ZINC000528424274	562328636	/nfs/dbraw/zinc/32/86/36/562328636.db2.gz	LMOZKXPQZOUHCH-RLLQIKCJSA-N	2	0	355.482	2.247	20	30		FEEDRP
C[C@H](CC1(C#N)CCOCC1)[NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1	ZINC000602513130	567989472	/nfs/dbraw/zinc/98/94/72/567989472.db2.gz	CUYGQDFSKIRBRG-QGZVFWFLSA-N	2	0	357.502	2.022	20	30		FEEDRP
C#CCOc1ccc([C@H](C)[NH2+]C[C@@H](N2CC[NH2+]CC2)C(F)(F)F)cc1	ZINC000817971602	675188485	/nfs/dbraw/zinc/18/84/85/675188485.db2.gz	FVQVRCXOFVLPEM-WMLDXEAASA-N	2	0	355.404	2.185	20	30		FEEDRP
C[NH+]=C(NC[C@@H]1CCOC1)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1	ZINC000261678189	672901253	/nfs/dbraw/zinc/90/12/53/672901253.db2.gz	BRZQPFPKQPPDMP-ZOBUZTSGSA-N	2	0	350.532	2.333	20	30		FEEDRP
CC[NH+]=C(N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C)NC1CC[NH+](CC(C)C)CC1	ZINC000262409780	672915260	/nfs/dbraw/zinc/91/52/60/672915260.db2.gz	PDCAHSIZALQRKT-RCCFBDPRSA-N	2	0	350.551	2.475	20	30		FEEDRP
C[NH+]=C(NC[C@@]1(O)CCSC1)NCC1([NH+]2CCCCC2)CCCCC1	ZINC000262836303	672921666	/nfs/dbraw/zinc/92/16/66/672921666.db2.gz	QUWOZQCSDAWELQ-IBGZPJMESA-N	2	0	368.591	2.208	20	30		FEEDRP
CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1cc(F)cc(Br)c1	ZINC000303904462	673019286	/nfs/dbraw/zinc/01/92/86/673019286.db2.gz	YTZOYXXZXAYDAY-AWEZNQCLSA-N	2	0	357.271	2.477	20	30		FEEDRP
C#CC[N@@H+](C)CCCNC(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)cc1	ZINC000838622636	680706522	/nfs/dbraw/zinc/70/65/22/680706522.db2.gz	WWSMHRZLIWKDEU-KRWDZBQOSA-N	2	0	350.894	2.197	20	30		FEEDRP
C[C@H](C[NH2+]Cc1cc(C#N)ccc1Br)N1CC[NH+](C)CC1	ZINC000921690010	683543974	/nfs/dbraw/zinc/54/39/74/683543974.db2.gz	NUTXSJSQHMOKPQ-CYBMUJFWSA-N	2	0	351.292	2.046	20	30		FEEDRP
C#CC[NH+]1CCC(C(=O)NC[C@@H](c2ccccc2OC)[NH+]2CCCC2)CC1	ZINC000050024297	540397336	/nfs/dbraw/zinc/39/73/36/540397336.db2.gz	BSPLMPAIFWMTAW-FQEVSTJZSA-N	2	0	369.509	2.294	20	30		FEEDRP
C[NH+]1CCN(CCC[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)CC1	ZINC000072786176	541865262	/nfs/dbraw/zinc/86/52/62/541865262.db2.gz	HJXYNWXMBVZPCN-UHFFFAOYSA-N	2	0	366.513	2.191	20	30		FEEDRP
C=CC[NH+]1CCC(NC(=O)N2CCC(OCC[NH+](CC)CC)CC2)CC1	ZINC000074132390	542040974	/nfs/dbraw/zinc/04/09/74/542040974.db2.gz	LRWCNFIEDBGJFR-UHFFFAOYSA-N	2	0	366.550	2.169	20	30		FEEDRP
C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]Cc1ccccc1C[NH+]1CCCCC1	ZINC000078805150	542481700	/nfs/dbraw/zinc/48/17/00/542481700.db2.gz	RCOWALODJSMNDO-MRXNPFEDSA-N	2	0	358.486	2.162	20	30		FEEDRP
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12	ZINC000079550065	542526246	/nfs/dbraw/zinc/52/62/46/542526246.db2.gz	MJBMIVXYLRFZIW-WOJBJXKFSA-N	2	0	369.513	2.258	20	30		FEEDRP
CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1nccn1CCCc1ccccc1	ZINC000081525249	542663397	/nfs/dbraw/zinc/66/33/97/542663397.db2.gz	FUNQDVWHIMEZIQ-LJQANCHMSA-N	2	0	368.529	2.405	20	30		FEEDRP
C[NH+]=C(NCc1cccc(N(C)C)n1)NC1CC[NH+](C2CCCC2)CC1	ZINC000132280969	544225714	/nfs/dbraw/zinc/22/57/14/544225714.db2.gz	JPNDNENBABGDHL-UHFFFAOYSA-N	2	0	358.534	2.220	20	30		FEEDRP
CC[NH+](CC)[C@H](C(=O)Nc1n[nH]c(CCC[NH2+]C)c1C#N)c1ccccc1	ZINC000089673955	325326196	/nfs/dbraw/zinc/32/61/96/325326196.db2.gz	AXEXKOQYYGZRRZ-SFHVURJKSA-N	2	0	368.485	2.455	20	30		FEEDRP
CC[NH+](CC)[C@@H](C(=O)Nc1n[nH]c(CCC[NH2+]C)c1C#N)c1ccccc1	ZINC000089673956	325326298	/nfs/dbraw/zinc/32/62/98/325326298.db2.gz	AXEXKOQYYGZRRZ-GOSISDBHSA-N	2	0	368.485	2.455	20	30		FEEDRP
C[NH+]1CCC2(CCC[N@@H+]([C@H]3CCN(c4ccc(C#N)cc4)C3=O)C2)CC1	ZINC000367201682	330229145	/nfs/dbraw/zinc/22/91/45/330229145.db2.gz	USCDMZYNMXGSJQ-IBGZPJMESA-N	2	0	352.482	2.471	20	30		FEEDRP
C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCC(OCC[NH+]2CCCC2)CC1	ZINC000173946623	546289168	/nfs/dbraw/zinc/28/91/68/546289168.db2.gz	GXQATEHINSFGAH-GOSISDBHSA-N	2	0	351.535	2.376	20	30		FEEDRP
C=CC[NH+]1CCC(NC(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1	ZINC000194149102	548440703	/nfs/dbraw/zinc/44/07/03/548440703.db2.gz	ZQBOSPZMFVECNH-LJQANCHMSA-N	2	0	356.514	2.458	20	30		FEEDRP
CCN(C[C@@H](C)C#N)C(=O)CN(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000245457113	548926026	/nfs/dbraw/zinc/92/60/26/548926026.db2.gz	UDJDLDANYMAGSH-AZUAARDMSA-N	2	0	356.514	2.448	20	30		FEEDRP
C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)/C=C/c1ccc(OCC#N)cc1	ZINC000264928017	550003336	/nfs/dbraw/zinc/00/33/36/550003336.db2.gz	RNMBCPHJYWNDAE-FMIVXFBMSA-N	2	0	372.513	2.334	20	30		FEEDRP
C[C@@H](NC(=[NH2+])NC[C@@H]1C[N@H+](C)CCN1C)c1ccc(Cl)cc1Cl	ZINC000267446779	550031660	/nfs/dbraw/zinc/03/16/60/550031660.db2.gz	QHDKJYRPZYUASP-DGCLKSJQSA-N	2	0	358.317	2.205	20	30		FEEDRP
C[C@@H](C[NH2+]C1CCN(c2ccc(C#N)cc2)CC1)CN1CC[NH+](C)CC1	ZINC000286007910	551837640	/nfs/dbraw/zinc/83/76/40/551837640.db2.gz	JAMXKKHKCWQMAD-SFHVURJKSA-N	2	0	355.530	2.000	20	30		FEEDRP
C=CCN1CC[C@@H]([NH2+][C@H](C)c2cc(F)ccc2N2CC[NH+](CC)CC2)C1=O	ZINC000499601825	561554445	/nfs/dbraw/zinc/55/44/45/561554445.db2.gz	FSCOHBUYDIVTFH-VQIMIIECSA-N	2	0	374.504	2.405	20	30		FEEDRP
C[NH+](C)CCCN(CCC[NH+](C)C)c1ncc(Br)cc1C#N	ZINC000297478198	553297828	/nfs/dbraw/zinc/29/78/28/553297828.db2.gz	LNSGBZIZHGBZKA-UHFFFAOYSA-N	2	0	368.323	2.426	20	30		FEEDRP
C[C@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C)[NH+]1CCCCCC1	ZINC000329172505	553895115	/nfs/dbraw/zinc/89/51/15/553895115.db2.gz	AGHDRBOJLNWFBE-CSNJMZFVSA-N	2	0	364.534	2.291	20	30		FEEDRP
CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Cc1c(F)cccc1C#N	ZINC000509076812	561783924	/nfs/dbraw/zinc/78/39/24/561783924.db2.gz	HESKMEGBWBIWTF-KRWDZBQOSA-N	2	0	360.477	2.114	20	30		FEEDRP
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NCCC[C@@H]1CCC[NH2+]1	ZINC000418743426	559413409	/nfs/dbraw/zinc/41/34/09/559413409.db2.gz	ATBVXVPFEQAAJN-IBGZPJMESA-N	2	0	357.502	2.164	20	30		FEEDRP
CC(=O)N1CCC[N@H+](C[C@H]2CCCN(Cc3ccccc3C#N)C2)CC1	ZINC000449497096	560231942	/nfs/dbraw/zinc/23/19/42/560231942.db2.gz	KEAOZNHGBYENCZ-LJQANCHMSA-N	2	0	354.498	2.324	20	30		FEEDRP
C=C[C@@H]1OCC[C@H]1[NH2+]CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1	ZINC000451606204	560317233	/nfs/dbraw/zinc/31/72/33/560317233.db2.gz	MMQMHLVJVFCIBJ-UXHICEINSA-N	2	0	357.498	2.009	20	30		FEEDRP
N#Cc1ccc(C[N@H+]2CCCN(C(=O)N[C@H]3CC[NH2+]C34CCC4)CC2)cc1	ZINC000529357343	562370854	/nfs/dbraw/zinc/37/08/54/562370854.db2.gz	LQDSDAKLBMMCAL-IBGZPJMESA-N	2	0	367.497	2.060	20	30		FEEDRP
C[C@@H](CC1(C#N)CCOCC1)[NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1	ZINC000602534375	567992067	/nfs/dbraw/zinc/99/20/67/567992067.db2.gz	RGPNYVGJZULCCT-IBGZPJMESA-N	2	0	371.529	2.282	20	30		FEEDRP
C[C@@H](CC1(C#N)CCOCC1)[NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1	ZINC000602709269	568018640	/nfs/dbraw/zinc/01/86/40/568018640.db2.gz	JCWHBMPMHQJUNF-PXNSSMCTSA-N	2	0	357.498	2.442	20	30		FEEDRP
C[NH+]=C(NC[C@@]1(C)CCCS1)NCC1([NH+]2CCCC2)CCOCC1	ZINC000261957660	672906009	/nfs/dbraw/zinc/90/60/09/672906009.db2.gz	JGUCKABIRDFSEF-QGZVFWFLSA-N	2	0	354.564	2.082	20	30		FEEDRP
C[NH+]=C(NC[C@H](c1cccs1)N(C)C)N1CC[C@H]([NH+]2CCCCC2)C1	ZINC000262489985	672917100	/nfs/dbraw/zinc/91/71/00/672917100.db2.gz	UPVBVXAMYNKLIP-DLBZAZTESA-N	2	0	363.575	2.486	20	30		FEEDRP
CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCC1([NH+]2CCSCC2)CCCCC1	ZINC000304762919	673020803	/nfs/dbraw/zinc/02/08/03/673020803.db2.gz	WEZZARFFMYQGJD-QGZVFWFLSA-N	3	0	367.607	2.127	20	30		FEEDRP
C[C@@H]1C[C@@H](C)C[NH+](CCCC[NH2+]C[C@@H](O)CC2(C#N)CCOCC2)C1	ZINC000600717695	673794188	/nfs/dbraw/zinc/79/41/88/673794188.db2.gz	SMHANNYNEWBPLB-QRVBRYPASA-N	2	0	351.535	2.405	20	30		FEEDRP
C=C(Cl)C[NH2+]C1CC(N(C)C(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1	ZINC000998786686	680388946	/nfs/dbraw/zinc/38/89/46/680388946.db2.gz	XQCHSVVQBMHYMK-HIEASXQVSA-N	2	0	369.937	2.065	20	30		FEEDRP
C=C(Cl)C[NH+]1CCC2(CO[C@H](CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)CC1	ZINC001045672287	680637400	/nfs/dbraw/zinc/63/74/00/680637400.db2.gz	QBKNCNWRPPQSDY-IXDOHACOSA-N	2	0	369.937	2.066	20	30		FEEDRP
C=C(Cl)C[C@@H]([NH3+])C(=O)Nc1ccc(C(=O)NCC[NH+](CC)CC)cc1	ZINC000876707573	686249022	/nfs/dbraw/zinc/24/90/22/686249022.db2.gz	KIIJFLGCIAKFTG-MRXNPFEDSA-N	2	0	366.893	2.167	20	30		FEEDRP
C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@H](c1ccc(OC)cc1)[NH+]1CCCC1	ZINC000876711085	686249690	/nfs/dbraw/zinc/24/96/90/686249690.db2.gz	TUMIEXHTUPZCMD-DLBZAZTESA-N	2	0	351.878	2.418	20	30		FEEDRP
C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1	ZINC000876782418	686268467	/nfs/dbraw/zinc/26/84/67/686268467.db2.gz	QEBXQPPGYVCBSV-XJKSGUPXSA-N	2	0	368.884	2.225	20	30		FEEDRP
C[C@@H](CNC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)C[NH+]1CCCC1	ZINC000080051234	542559715	/nfs/dbraw/zinc/55/97/15/542559715.db2.gz	PQZOPCCVXBEZCN-SFHVURJKSA-N	2	0	371.529	2.363	20	30		FEEDRP
C[C@H](CNC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)C[NH+]1CCCC1	ZINC000080051238	542559763	/nfs/dbraw/zinc/55/97/63/542559763.db2.gz	PQZOPCCVXBEZCN-GOSISDBHSA-N	2	0	371.529	2.363	20	30		FEEDRP
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1	ZINC000080572478	542595296	/nfs/dbraw/zinc/59/52/96/542595296.db2.gz	YRNKDDGTBAJJJL-UXHICEINSA-N	2	0	354.498	2.323	20	30		FEEDRP
CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(C)cc1O[C@@H]1CCOC1	ZINC000129172535	544094986	/nfs/dbraw/zinc/09/49/86/544094986.db2.gz	AEZWKCNHKLAPHS-QZTJIDSGSA-N	2	0	360.502	2.051	20	30		FEEDRP
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1	ZINC000079458602	325091492	/nfs/dbraw/zinc/09/14/92/325091492.db2.gz	JZUDJTIKGUQEOC-IBGZPJMESA-N	2	0	369.513	2.116	20	30		FEEDRP
C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1	ZINC000268170405	329392886	/nfs/dbraw/zinc/39/28/86/329392886.db2.gz	QMKZAXZEYAZGLK-UZLBHIALSA-N	2	0	369.513	2.114	20	30		FEEDRP
C[NH+]1CCN(C[C@@H]2CCC[N@H+](CCCOc3ccc(C#N)cc3)C2)CC1	ZINC000367117684	330218556	/nfs/dbraw/zinc/21/85/56/330218556.db2.gz	RUJTUZWWVDTXSO-HXUWFJFHSA-N	2	0	356.514	2.287	20	30		FEEDRP
C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](CC#Cc2ccccc2)CC1	ZINC000192033691	548355692	/nfs/dbraw/zinc/35/56/92/548355692.db2.gz	FDGXHYJNNJILGP-UHFFFAOYSA-N	2	0	355.526	2.454	20	30		FEEDRP
C[C@@H](CNC(=[NH2+])Nc1ccc(OC(F)(F)F)cc1)C[NH+]1CCN(C)CC1	ZINC000264085092	549977199	/nfs/dbraw/zinc/97/71/99/549977199.db2.gz	IZBMIAYSUZDJFD-ZDUSSCGKSA-N	2	0	373.423	2.195	20	30		FEEDRP
CCOCCOCc1cccc(CNC(=[NH2+])NC[C@H]2CCC[N@@H+]2CC)c1	ZINC000264124051	549982188	/nfs/dbraw/zinc/98/21/88/549982188.db2.gz	VXYNCZBALQXQIO-LJQANCHMSA-N	2	0	362.518	2.128	20	30		FEEDRP
CCN(CC)C(=O)c1ccc(CNC(=[NH2+])NC[C@@H]2CCC[N@@H+]2CC)cc1	ZINC000264142244	549984520	/nfs/dbraw/zinc/98/45/20/549984520.db2.gz	WWDJXNVECCUMHG-SFHVURJKSA-N	2	0	359.518	2.057	20	30		FEEDRP
C[N@@H+]1CC[C@H](CNC(=[NH2+])N2CCOCC2)[C@H]1c1ccc(Cl)c(F)c1	ZINC000270538549	550281501	/nfs/dbraw/zinc/28/15/01/550281501.db2.gz	BGSBAYVQPSYHGW-CZUORRHYSA-N	2	0	354.857	2.119	20	30		FEEDRP
C#CC[N@@H+](C)CCCNC(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1	ZINC000296749353	553206731	/nfs/dbraw/zinc/20/67/31/553206731.db2.gz	DZIAMMVOJSXXNC-UHFFFAOYSA-N	2	0	371.529	2.285	20	30		FEEDRP
CN(CCC#N)C(=O)CC[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1	ZINC000311941169	553755510	/nfs/dbraw/zinc/75/55/10/553755510.db2.gz	HXESVNMWCPVQAC-VQTJNVASSA-N	2	0	354.498	2.202	20	30		FEEDRP
C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)N2CC[NH+](CC(C)(C)O)CC2)C1	ZINC000329892507	554025631	/nfs/dbraw/zinc/02/56/31/554025631.db2.gz	AASGGCWAKRABOL-IEBWSBKVSA-N	2	0	374.529	2.124	20	30		FEEDRP
C#CC[NH+]1CCC(C(=O)N2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)CC1	ZINC000365746078	555658102	/nfs/dbraw/zinc/65/81/02/555658102.db2.gz	HVMLIRBOLWADCY-FGZHOGPDSA-N	2	0	365.521	2.312	20	30		FEEDRP
C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2CCC[N@H+](Cc3cccnc3)C2)CC1	ZINC000518496330	562112940	/nfs/dbraw/zinc/11/29/40/562112940.db2.gz	VGYMGUUADKXJSX-LJQANCHMSA-N	2	0	356.514	2.450	20	30		FEEDRP
C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCC[C@@H]4O[C@@H](CC#N)C[C@H]43)cn2)CC1	ZINC000373223026	557653175	/nfs/dbraw/zinc/65/31/75/557653175.db2.gz	GBQIIJBCNZGLQZ-HAGHYFMRSA-N	2	0	369.513	2.163	20	30		FEEDRP
C[NH+]1CCC2(CCCN(CCS(=O)(=O)c3ccc(C#N)cc3)C2)CC1	ZINC000374075758	557819045	/nfs/dbraw/zinc/81/90/45/557819045.db2.gz	WMPDMUKZSRHGKF-UHFFFAOYSA-N	2	0	361.511	2.140	20	30		FEEDRP
C=CCc1cc(C[NH2+]C2CCC([NH+]3CCNCC3)CC2)cc(OC)c1O	ZINC000415047586	559202284	/nfs/dbraw/zinc/20/22/84/559202284.db2.gz	DZSHMBAQBZTGBD-UHFFFAOYSA-N	2	0	359.514	2.435	20	30		FEEDRP
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NC[C@@H]([NH3+])c1ccccc1	ZINC000418442391	559401754	/nfs/dbraw/zinc/40/17/54/559401754.db2.gz	DSJBTKCNQGZUNU-HXUWFJFHSA-N	2	0	365.481	2.331	20	30		FEEDRP
CN(C[C@H]1CCC[N@@H+]1C)c1ccc(C#N)c(N(C)C[C@@H]2CCC[NH+]2C)n1	ZINC000420645071	559495047	/nfs/dbraw/zinc/49/50/47/559495047.db2.gz	ZWQMRLBMNLEGMG-MSOLQXFVSA-N	2	0	356.518	2.014	20	30		FEEDRP
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@H+]1CC	ZINC000437986889	559972632	/nfs/dbraw/zinc/97/26/32/559972632.db2.gz	NSQZRUYYKONAFN-FHWLQOOXSA-N	2	0	366.550	2.025	20	30		FEEDRP
N#Cc1cccc(NC(=O)CC[NH+]2CCC(OCC[NH+]3CCCC3)CC2)c1	ZINC000467200512	560906280	/nfs/dbraw/zinc/90/62/80/560906280.db2.gz	FZHYAYRWLCCIJC-UHFFFAOYSA-N	2	0	370.497	2.464	20	30		FEEDRP
C=CCOc1cccc(C[N@@H+]2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)c1	ZINC000469850056	560966768	/nfs/dbraw/zinc/96/67/68/560966768.db2.gz	GMQNBVVQIODGPG-UYAOXDASSA-N	2	0	357.498	2.332	20	30		FEEDRP
C=CCOc1ccccc1C[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1	ZINC000469867387	560967402	/nfs/dbraw/zinc/96/74/02/560967402.db2.gz	VQCYFDUDDPJNDL-PKOBYXMFSA-N	2	0	357.498	2.332	20	30		FEEDRP
C=CCOc1ccc(C[N@@H+]2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)cc1	ZINC000469866532	560967434	/nfs/dbraw/zinc/96/74/34/560967434.db2.gz	ZDOSTCSPVXRLPU-AZUAARDMSA-N	2	0	357.498	2.332	20	30		FEEDRP
CC[NH+](CC)CCO[C@H]1CC[N@H+](CCC(=O)Nc2sccc2C#N)C1	ZINC000472269426	561022446	/nfs/dbraw/zinc/02/24/46/561022446.db2.gz	WCABNUJHSOKOIN-INIZCTEOSA-N	2	0	364.515	2.381	20	30		FEEDRP
O=C1c2ccccc2C(=O)N1CC#CC[NH+]1CCC(C[NH+]2CCCC2)CC1	ZINC000528349102	562324169	/nfs/dbraw/zinc/32/41/69/562324169.db2.gz	GQPPZGYULLHNIH-UHFFFAOYSA-N	2	0	365.477	2.094	20	30		FEEDRP
C[NH+](C)CCCC1CC[NH+](CC#CCN2C(=O)c3ccccc3C2=O)CC1	ZINC000528433509	562329205	/nfs/dbraw/zinc/32/92/05/562329205.db2.gz	ROHKERCJEJEYOB-UHFFFAOYSA-N	2	0	367.493	2.340	20	30		FEEDRP
N#Cc1ccc(C[N@H+]2CCCN(C(=O)N[C@@H]3CC[NH2+]C34CCC4)CC2)cc1	ZINC000529357347	562370798	/nfs/dbraw/zinc/37/07/98/562370798.db2.gz	LQDSDAKLBMMCAL-LJQANCHMSA-N	2	0	367.497	2.060	20	30		FEEDRP
C[NH+]=C(NCC1(SC)CCOCC1)N1CC[C@H]([NH+]2CCCCC2)C1	ZINC000086741124	670684641	/nfs/dbraw/zinc/68/46/41/670684641.db2.gz	IOEHXGRHOJHGIR-INIZCTEOSA-N	2	0	354.564	2.034	20	30		FEEDRP
C[NH+]=C(NCC1([NH+](C)C)CCOCC1)N(C)Cc1cccc(Cl)c1	ZINC000088390171	670691341	/nfs/dbraw/zinc/69/13/41/670691341.db2.gz	MUBJELNFRUOTCO-UHFFFAOYSA-N	2	0	352.910	2.458	20	30		FEEDRP
CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCC1CCN(CC(F)(F)F)CC1	ZINC000304771927	673020597	/nfs/dbraw/zinc/02/05/97/673020597.db2.gz	AKCSPMPHDIQFRQ-OAHLLOKOSA-N	2	0	363.472	2.039	20	30		FEEDRP
C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)[C@@H]([NH3+])CCCCC#N	ZINC000594435472	673071307	/nfs/dbraw/zinc/07/13/07/673071307.db2.gz	FQSQHCRSBKDPBL-KRWDZBQOSA-N	2	0	352.429	2.266	20	30		FEEDRP
CC[C@@H]1[C@@H](C(=O)N2CC[C@H](C[NH2+]Cc3ccc(C#N)s3)C2)CC[N@@H+]1C	ZINC001026855356	680351687	/nfs/dbraw/zinc/35/16/87/680351687.db2.gz	FHRTYXTXIIKJLI-FHLIZLRMSA-N	2	0	360.527	2.288	20	30		FEEDRP
CC(=NNC(=S)NCCC[NH+](C)C)[C@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000779777958	681752398	/nfs/dbraw/zinc/75/23/98/681752398.db2.gz	XLIVXWUELQDCMJ-SFHVURJKSA-N	2	0	361.559	2.300	20	30		FEEDRP
C=C(Cl)C[C@H]([NH3+])C(=O)NCc1ccc(N2CC[NH+](CC)CC2)c(F)c1	ZINC000876783839	686268407	/nfs/dbraw/zinc/26/84/07/686268407.db2.gz	OQMBDLABICLIGI-INIZCTEOSA-N	2	0	368.884	2.054	20	30		FEEDRP
CC1([NH+]2CCC2)CCC([NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)CC1	ZINC000905600022	691149421	/nfs/dbraw/zinc/14/94/21/691149421.db2.gz	FSOQBZMCMZATDJ-UHFFFAOYSA-N	2	0	361.511	2.329	20	30		FEEDRP
CCNC(NCc1ccc(OCC[NH+](CC)CC)c(OC)c1)=[NH+]CC	ZINC000066243609	541294761	/nfs/dbraw/zinc/29/47/61/541294761.db2.gz	CUGQLGMUXBIJIS-UHFFFAOYSA-N	2	0	350.507	2.491	20	30		FEEDRP
C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000076324745	542260459	/nfs/dbraw/zinc/26/04/59/542260459.db2.gz	JRIOZTFQQZDPAR-UHFFFAOYSA-N	2	0	356.514	2.474	20	30		FEEDRP
N#Cc1ccc(CN2CCCN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)CC2)cc1	ZINC000123055312	543739990	/nfs/dbraw/zinc/73/99/90/543739990.db2.gz	ZEXQOSXGNKGGOM-OAQYLSRUSA-N	2	0	366.509	2.467	20	30		FEEDRP
C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1	ZINC000245970672	549029620	/nfs/dbraw/zinc/02/96/20/549029620.db2.gz	FLSJFAHDOGXALV-DLBZAZTESA-N	2	0	364.534	2.363	20	30		FEEDRP
C=CC[NH+]1CCC(NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)CC1	ZINC000246814228	549219214	/nfs/dbraw/zinc/21/92/14/549219214.db2.gz	BQHRZZPTDXAIGO-FXAWDEMLSA-N	2	0	371.529	2.242	20	30		FEEDRP
Cn1cc(C[NH2+]CCCN2CC[N@H+](C)C[C@H]2c2ccccc2)cc1C#N	ZINC000249615737	549612318	/nfs/dbraw/zinc/61/23/18/549612318.db2.gz	PEYXJMZAWGJSBS-NRFANRHFSA-N	2	0	351.498	2.365	20	30		FEEDRP
C[NH+]=C(NCc1nc(-c2ccccc2)c[nH]1)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C	ZINC000261937883	549771750	/nfs/dbraw/zinc/77/17/50/549771750.db2.gz	CXTMPBOQQRLEOP-KDOFPFPSSA-N	2	0	352.486	2.224	20	30		FEEDRP
C[NH+]=C(NC[C@H]1CC[N@H+](C)C1)N(C)Cc1ccc(Br)cc1	ZINC000262587962	549830298	/nfs/dbraw/zinc/83/02/98/549830298.db2.gz	TXTHHKXUDKXYNB-CQSZACIVSA-N	2	0	353.308	2.408	20	30		FEEDRP
C[NH+]=C(NC[C@H](O)c1ccc(Cl)cc1)N1CC[C@@H](C[NH+]2CCCC2)C1	ZINC000262821684	549853129	/nfs/dbraw/zinc/85/31/29/549853129.db2.gz	YJUGTLRPZDOAOZ-YJBOKZPZSA-N	2	0	364.921	2.367	20	30		FEEDRP
CCOCCC[NH+]=C(NCc1ccc(OC)cc1)NC[C@H]1CC[N@H+](C)C1	ZINC000263985469	549964156	/nfs/dbraw/zinc/96/41/56/549964156.db2.gz	SVVVVRDIXJWJHG-GOSISDBHSA-N	2	0	362.518	2.109	20	30		FEEDRP
CCC[NH+]1CCN(C2CC[NH+](C[C@@H](O)c3ccc(C#N)cc3)CC2)CC1	ZINC000363861114	555201696	/nfs/dbraw/zinc/20/16/96/555201696.db2.gz	SAIWHMDLQBUVHX-OAQYLSRUSA-N	2	0	356.514	2.084	20	30		FEEDRP
CCCC[C@H](ON=C(C)C)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1	ZINC000363870693	555203113	/nfs/dbraw/zinc/20/31/13/555203113.db2.gz	WYDBHHZLGWEEMZ-WMZOPIPTSA-N	2	0	352.523	2.242	20	30		FEEDRP
C[C@@H]([NH2+]CCCN1CCN(c2ncccn2)CC1)c1ccc(C#N)cc1F	ZINC000512625509	561910598	/nfs/dbraw/zinc/91/05/98/561910598.db2.gz	OLDPRMMNTXVGAY-MRXNPFEDSA-N	2	0	368.460	2.350	20	30		FEEDRP
C[C@H](NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)[C@@H]1CCC[NH2+]C1	ZINC000516856936	562060792	/nfs/dbraw/zinc/06/07/92/562060792.db2.gz	IMBUGGINHLXDAP-FXAWDEMLSA-N	2	0	369.513	2.164	20	30		FEEDRP
C[NH+](C)CCOc1cc(C[NH2+][C@@H]2CCC[C@@H]3O[C@H](CC#N)C[C@@H]32)ccn1	ZINC000371510112	557205189	/nfs/dbraw/zinc/20/51/89/557205189.db2.gz	RROGVBLZCQENSM-MKXGPGLRSA-N	2	0	358.486	2.351	20	30		FEEDRP
N#Cc1ccc(C[N@H+]2CCCN(C(=O)N[C@H]3CCCC[C@@H]3C[NH3+])CC2)cc1	ZINC000418408336	559400576	/nfs/dbraw/zinc/40/05/76/559400576.db2.gz	GIWPLWQTGKRPNX-UXHICEINSA-N	2	0	369.513	2.293	20	30		FEEDRP
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NC[C@H]1[NH2+]CCCC1(C)C	ZINC000418636387	559408927	/nfs/dbraw/zinc/40/89/27/559408927.db2.gz	IFXKFOWDIQGQMJ-LJQANCHMSA-N	2	0	371.529	2.410	20	30		FEEDRP
C=CC[NH+](CC=C)[C@@H](CNC(=O)c1c[nH]nc1[C@@H]1CCC[NH2+]C1)C(C)C	ZINC000423323679	559625553	/nfs/dbraw/zinc/62/55/53/559625553.db2.gz	AKVOYMCIRMLFLZ-AEFFLSMTSA-N	2	0	359.518	2.305	20	30		FEEDRP
C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH+]1CCC(OCCC[NH3+])CC1	ZINC000430556869	559822470	/nfs/dbraw/zinc/82/24/70/559822470.db2.gz	RJBZBXNPMQGPNE-INIZCTEOSA-N	2	0	365.543	2.481	20	30		FEEDRP
C[C@@H]1[C@H](Nc2ccc(C#N)c(N[C@@H]3CCC[NH+](C)[C@H]3C)n2)CCC[N@@H+]1C	ZINC000436354611	559940463	/nfs/dbraw/zinc/94/04/63/559940463.db2.gz	CBPGUBDJAMBLQO-CYGHRXIMSA-N	2	0	356.518	2.742	20	30		FEEDRP
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@H+]1CC	ZINC000437986891	559972658	/nfs/dbraw/zinc/97/26/58/559972658.db2.gz	NSQZRUYYKONAFN-QRVBRYPASA-N	2	0	366.550	2.025	20	30		FEEDRP
CC[NH+](CC)CCO[C@@H]1CC[N@H+](CCC(=O)Nc2sccc2C#N)C1	ZINC000472269427	561022554	/nfs/dbraw/zinc/02/25/54/561022554.db2.gz	WCABNUJHSOKOIN-MRXNPFEDSA-N	2	0	364.515	2.381	20	30		FEEDRP
C[NH+]=C(NCc1nccn1C)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1	ZINC000081984444	670651351	/nfs/dbraw/zinc/65/13/51/670651351.db2.gz	MXAFGBHVXFPLHL-YOEHRIQHSA-N	2	0	360.531	2.230	20	30		FEEDRP
CC[NH+]=C(NC[C@]1(C)CCCC[C@@H]1O)N1CC[C@@H]([NH+]2CCCCC2)C1	ZINC000262767485	672920515	/nfs/dbraw/zinc/92/05/15/672920515.db2.gz	HUPCHLALONROEH-HBFSDRIKSA-N	2	0	350.551	2.453	20	30		FEEDRP
CC[NH+]=C(NC[C@]1(C)CCCC[C@H]1O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C	ZINC000262788265	672920964	/nfs/dbraw/zinc/92/09/64/672920964.db2.gz	NEYSNGSKHJEUMV-VCOHRLAKSA-N	2	0	350.551	2.498	20	30		FEEDRP
C[C@@H]1[C@H](C(=O)N2CCC[C@@H](C[NH2+]Cc3ccc(C#N)s3)C2)CC[N@@H+]1C	ZINC001023994045	680277497	/nfs/dbraw/zinc/27/74/97/680277497.db2.gz	XNDPEXWLNQIGNL-RVKKMQEKSA-N	2	0	360.527	2.288	20	30		FEEDRP
C=C(Cl)C[C@@H]([NH3+])C(=O)NCC1([NH2+][C@H](C)c2ccccc2)CCOCC1	ZINC000876766464	686264214	/nfs/dbraw/zinc/26/42/14/686264214.db2.gz	KSMUZCMMFSLQTH-NVXWUHKLSA-N	2	0	365.905	2.473	20	30		FEEDRP
N#C[C@@H]1C[NH2+]CC12CC(C(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1)C2	ZINC000884274791	687834985	/nfs/dbraw/zinc/83/49/85/687834985.db2.gz	VCOZACIDNYKWIN-RYCVTPFZSA-N	2	0	352.360	2.242	20	30		FEEDRP
C#CC[NH+]1CCC(C(=O)NC2CC[NH+](Cc3cccc(C)c3)CC2)CC1	ZINC000057172923	540775612	/nfs/dbraw/zinc/77/56/12/540775612.db2.gz	NDUVVASPVMUBRY-UHFFFAOYSA-N	2	0	353.510	2.421	20	30		FEEDRP
C=CCC[C@H](O)C[NH+]1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1	ZINC000120211391	543676812	/nfs/dbraw/zinc/67/68/12/543676812.db2.gz	LEOXUGQACJHXAD-IBGZPJMESA-N	2	0	351.535	2.018	20	30		FEEDRP
C[C@@H]1CCC[N@H+](CCNC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)C1	ZINC000079269593	325084648	/nfs/dbraw/zinc/08/46/48/325084648.db2.gz	WOGLDLOMKIENKU-GOSISDBHSA-N	2	0	371.529	2.363	20	30		FEEDRP
N#CCSCCC[NH+]1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1	ZINC000159345157	545944486	/nfs/dbraw/zinc/94/44/86/545944486.db2.gz	MVAWXPGJHIZYDY-UHFFFAOYSA-N	2	0	366.575	2.337	20	30		FEEDRP
C=CC[NH+]1CCC(NC(=O)NC[C@@H](c2cccc(OC)c2)[NH+](C)C)CC1	ZINC000171699245	546220013	/nfs/dbraw/zinc/22/00/13/546220013.db2.gz	KVQMOCBIFUMSHL-IBGZPJMESA-N	2	0	360.502	2.248	20	30		FEEDRP
COc1ccc(C[NH2+]CCCN2CC[NH+](C)CC2)cc1OCCCC#N	ZINC000263891107	549951450	/nfs/dbraw/zinc/95/14/50/549951450.db2.gz	MYFMVNUVRLGFJR-UHFFFAOYSA-N	2	0	360.502	2.105	20	30		FEEDRP
CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Cc1cccc(OCC#N)c1	ZINC000270476676	550276160	/nfs/dbraw/zinc/27/61/60/550276160.db2.gz	IRPAJQBVXZZFOL-IBGZPJMESA-N	2	0	372.513	2.006	20	30		FEEDRP
C=C[C@H]1CCCCN1C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1	ZINC000494863646	561478054	/nfs/dbraw/zinc/47/80/54/561478054.db2.gz	DQQHWCHRGVCUTA-SFHVURJKSA-N	2	0	357.502	2.344	20	30		FEEDRP
N#Cc1ccc(N2CCC([NH2+]C3CC[NH+]([C@@H]4CCC[C@H]4O)CC3)CC2)cc1	ZINC000286096605	551848223	/nfs/dbraw/zinc/84/82/23/551848223.db2.gz	MIQLYVFKMZVUBN-FGZHOGPDSA-N	2	0	368.525	2.494	20	30		FEEDRP
C[N@H+](CC1CCN(c2cc[nH+]cc2)CC1)[C@@H](C(N)=O)c1ccc(C#N)cc1	ZINC000501024735	561587939	/nfs/dbraw/zinc/58/79/39/561587939.db2.gz	XDNXOJKZVGDUAQ-HXUWFJFHSA-N	2	0	363.465	2.328	20	30		FEEDRP
C[N@H+](CC(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)[C@H]1CCSC1	ZINC000328971361	553856237	/nfs/dbraw/zinc/85/62/37/553856237.db2.gz	VCNPNRMEAQDTCQ-BBWFWOEESA-N	2	0	355.548	2.148	20	30		FEEDRP
CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CCC3(CCOCC3)[C@H]2C)C1	ZINC000329697384	553991247	/nfs/dbraw/zinc/99/12/47/553991247.db2.gz	YHDZVHRAKCTWSL-QZTJIDSGSA-N	2	0	367.534	2.191	20	30		FEEDRP
CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1	ZINC000330230338	554089106	/nfs/dbraw/zinc/08/91/06/554089106.db2.gz	QLWMONLNGJPSDD-IPMKNSEASA-N	2	0	366.550	2.084	20	30		FEEDRP
CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCC(C)(C)CCC#N	ZINC000513130219	561926364	/nfs/dbraw/zinc/92/63/64/561926364.db2.gz	RPUFCDXIRWQWFP-QGZVFWFLSA-N	2	0	351.539	2.374	20	30		FEEDRP
COc1cc(C#N)ccc1OCC[N@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1	ZINC000371259022	557123062	/nfs/dbraw/zinc/12/30/62/557123062.db2.gz	FGZZZMBAIADVAZ-IBGZPJMESA-N	2	0	372.513	2.046	20	30		FEEDRP
C[NH+](C)CCOc1cc(C[NH2+][C@@H]2CCC[C@@H]3O[C@@H](CC#N)C[C@@H]32)ccn1	ZINC000371510111	557205410	/nfs/dbraw/zinc/20/54/10/557205410.db2.gz	RROGVBLZCQENSM-MANSERQUSA-N	2	0	358.486	2.351	20	30		FEEDRP
C[N@H+](CCCOc1cccc(C#N)c1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1	ZINC000373219740	557652090	/nfs/dbraw/zinc/65/20/90/557652090.db2.gz	VOTRJQCQUXSZEG-HXUWFJFHSA-N	2	0	356.514	2.427	20	30		FEEDRP
C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[N@@H+](C)[C@H](c4ccccc4)[C@@H]3C2)CC1	ZINC000377819794	558426494	/nfs/dbraw/zinc/42/64/94/558426494.db2.gz	ZLODWUBNBHMARW-PWRODBHTSA-N	2	0	351.494	2.093	20	30		FEEDRP
N#Cc1ccc(C[N@H+]2CCCN(C(=O)N[C@@H]3CCCC[C@H]3C[NH3+])CC2)cc1	ZINC000418408337	559400550	/nfs/dbraw/zinc/40/05/50/559400550.db2.gz	GIWPLWQTGKRPNX-VQTJNVASSA-N	2	0	369.513	2.293	20	30		FEEDRP
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NC[C@H]([NH3+])c1ccccc1	ZINC000418442385	559401765	/nfs/dbraw/zinc/40/17/65/559401765.db2.gz	DSJBTKCNQGZUNU-FQEVSTJZSA-N	2	0	365.481	2.331	20	30		FEEDRP
CCCC[C@@H](C[NH3+])NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1	ZINC000418445066	559401922	/nfs/dbraw/zinc/40/19/22/559401922.db2.gz	MWUOAATXCMAISY-IBGZPJMESA-N	2	0	357.502	2.293	20	30		FEEDRP
N#CCCn1cc(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)c(-c2ccncc2)n1	ZINC000433335265	559877299	/nfs/dbraw/zinc/87/72/99/559877299.db2.gz	KYUCSOVTQMUOBQ-MRXNPFEDSA-N	2	0	350.470	2.433	20	30		FEEDRP
C[C@@H](CC1(C#N)CCOCC1)[NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1	ZINC000602535128	567992173	/nfs/dbraw/zinc/99/21/73/567992173.db2.gz	NSSBLFRTLORGPW-KRWDZBQOSA-N	2	0	372.513	2.167	20	30		FEEDRP
C[NH+]=C(NCc1ccsc1)NCC1(N2CCCCC2)CC[NH+](C)CC1	ZINC000085202489	670679233	/nfs/dbraw/zinc/67/92/33/670679233.db2.gz	RLDNSMCHBGIPFX-UHFFFAOYSA-N	2	0	363.575	2.363	20	30		FEEDRP
COc1ccc(CCNC(=[NH2+])NCCN2CCc3sccc3C2)cc1	ZINC000161542006	672297720	/nfs/dbraw/zinc/29/77/20/672297720.db2.gz	AUBKHNILLVLTGJ-UHFFFAOYSA-N	2	0	358.511	2.262	20	30		FEEDRP
CC[C@@H]1CN(C(NCC(C)(C)[NH+]2CCC(OC)CC2)=[NH+]C)CCS1	ZINC000262039375	672908433	/nfs/dbraw/zinc/90/84/33/672908433.db2.gz	YDNKYOQSRPZPOP-MRXNPFEDSA-N	2	0	356.580	2.279	20	30		FEEDRP
CCC(CC)[C@@H](CNC(=[NH2+])NCc1ccc(OC)c(OC)c1)[NH+](C)C	ZINC000303784555	673017711	/nfs/dbraw/zinc/01/77/11/673017711.db2.gz	PGQFPYFAKCULGR-MRXNPFEDSA-N	2	0	350.507	2.475	20	30		FEEDRP
CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCC1CC[NH+](Cc2cccs2)CC1	ZINC000303884133	673018639	/nfs/dbraw/zinc/01/86/39/673018639.db2.gz	MQYKJJJNRPBBTR-QGZVFWFLSA-N	3	0	363.575	2.349	20	30		FEEDRP
CCCN(CCNC(=[NH2+])NC[C@H]1CCC[N@@H+]1CC)C(=O)OC(C)(C)C	ZINC000305269408	673021487	/nfs/dbraw/zinc/02/14/87/673021487.db2.gz	SFZOUXBDOGRLDP-OAHLLOKOSA-N	2	0	355.527	2.022	20	30		FEEDRP
C[NH+](C)C[C@@H]1CN(c2cccc(Br)c2C#N)C[C@H]1C[NH+](C)C	ZINC000866011573	684060460	/nfs/dbraw/zinc/06/04/60/684060460.db2.gz	HXHLTOLFRJFPAT-ZIAGYGMSSA-N	2	0	365.319	2.496	20	30		FEEDRP
C=C(Cl)C[C@@H]([NH3+])C(=O)Nc1cccc(C(=O)OC[C@@H]2CCC[NH2+]2)c1	ZINC000876520454	686214144	/nfs/dbraw/zinc/21/41/44/686214144.db2.gz	LQCIUVXZJRWCQR-LSDHHAIUSA-N	2	0	351.834	2.004	20	30		FEEDRP
C=C(Cl)C[C@H]([NH3+])C(=O)NCc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1	ZINC000876719811	686252928	/nfs/dbraw/zinc/25/29/28/686252928.db2.gz	WEMOIUDNWXEEGZ-DAYGRLMNSA-N	2	0	365.905	2.382	20	30		FEEDRP
Cc1c[nH+]ccc1N1CCC(C(=O)N(CCC#N)CCC[NH+](C)C)CC1	ZINC000073079058	541916466	/nfs/dbraw/zinc/91/64/66/541916466.db2.gz	FMHFBMGJEHIDJM-UHFFFAOYSA-N	2	0	357.502	2.300	20	30		FEEDRP
CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1nccn1CCc1ccccc1	ZINC000081525031	542663467	/nfs/dbraw/zinc/66/34/67/542663467.db2.gz	OMUXIYUWGWUFCU-SFHVURJKSA-N	2	0	354.502	2.014	20	30		FEEDRP
C[C@H](C(=O)N(C)CCC#N)[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1	ZINC000092821448	542888906	/nfs/dbraw/zinc/88/89/06/542888906.db2.gz	KGLGFDKXBNWENX-QGZVFWFLSA-N	2	0	357.502	2.380	20	30		FEEDRP
C#CCOc1ccc(C[NH2+]Cc2cccnc2N2CC[NH+](C)CC2)cc1	ZINC000113329306	543484568	/nfs/dbraw/zinc/48/45/68/543484568.db2.gz	YLEANTJNLMEMPE-UHFFFAOYSA-N	2	0	350.466	2.135	20	30		FEEDRP
C=C(C)CN(CC)C(=O)[C@@H](C)N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1	ZINC000153941432	544843535	/nfs/dbraw/zinc/84/35/35/544843535.db2.gz	UFNSOOSUZJGPDT-HSALFYBXSA-N	2	0	364.578	2.290	20	30		FEEDRP
CC(C)[NH+]1CCC(O)(C[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)CC1	ZINC000272214537	329760369	/nfs/dbraw/zinc/76/03/69/329760369.db2.gz	CTDXJQZFDJXGFX-UHFFFAOYSA-N	2	0	367.497	2.284	20	30		FEEDRP
C=C(C)CN(CC)C(=O)C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1	ZINC000182976393	547582541	/nfs/dbraw/zinc/58/25/41/547582541.db2.gz	APAYHNSFPISMGV-UHFFFAOYSA-N	2	0	351.535	2.235	20	30		FEEDRP
C=CCN(CCOC)[C@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1	ZINC000191129963	548340263	/nfs/dbraw/zinc/34/02/63/548340263.db2.gz	SFVZHVYJKCSWPC-GOSISDBHSA-N	2	0	359.514	2.290	20	30		FEEDRP
C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]Cc1ccccc1C[NH+]1CCC(C)CC1	ZINC000194017081	548422413	/nfs/dbraw/zinc/42/24/13/548422413.db2.gz	JQRDZHZCXQLXCD-QGZVFWFLSA-N	2	0	372.513	2.408	20	30		FEEDRP
C=CC[NH+]1CCC(NC(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1	ZINC000194149084	548440507	/nfs/dbraw/zinc/44/05/07/548440507.db2.gz	ZQBOSPZMFVECNH-IBGZPJMESA-N	2	0	356.514	2.458	20	30		FEEDRP
N#Cc1ccc(C[NH+]2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)s1	ZINC000289662342	552358039	/nfs/dbraw/zinc/35/80/39/552358039.db2.gz	CYNWQVLYCYAILX-UHFFFAOYSA-N	2	0	360.527	2.434	20	30		FEEDRP
C#CC[N@H+](C)CCCNC(=O)NC[C@H]1CCC[NH+](Cc2cccs2)C1	ZINC000296208828	553122869	/nfs/dbraw/zinc/12/28/69/553122869.db2.gz	CXRVBMNVUUGLST-QGZVFWFLSA-N	2	0	362.543	2.214	20	30		FEEDRP
C#CC[NH+](C)CCCNC(=O)N(Cc1ccncc1)C[C@@H]1CCC[N@H+]1CC	ZINC000297514480	553302565	/nfs/dbraw/zinc/30/25/65/553302565.db2.gz	PLCXCXGOVASATM-FQEVSTJZSA-N	2	0	371.529	2.033	20	30		FEEDRP
N#Cc1cc(NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)nc(C2CC2)n1	ZINC000601108681	553348343	/nfs/dbraw/zinc/34/83/43/553348343.db2.gz	INVXWDDKOBSHGB-UHFFFAOYSA-N	2	0	363.469	2.245	20	30		FEEDRP
CN(CCC#N)C(=O)CC[N@H+]1C[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1	ZINC000311941168	553755710	/nfs/dbraw/zinc/75/57/10/553755710.db2.gz	HXESVNMWCPVQAC-UXHICEINSA-N	2	0	354.498	2.202	20	30		FEEDRP
N#Cc1ccc(OC[C@H](O)C[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1	ZINC000312626587	553756621	/nfs/dbraw/zinc/75/66/21/553756621.db2.gz	IDVSWESSAIDIGI-LEWJYISDSA-N	2	0	365.477	2.410	20	30		FEEDRP
CC[N@H+](C)[C@H](C(=O)NC1CC[NH+]([C@@H]2CCN(C)C2=O)CC1)c1ccccc1	ZINC000329206761	553902263	/nfs/dbraw/zinc/90/22/63/553902263.db2.gz	YGWOBMQZIJKTRL-MOPGFXCFSA-N	2	0	372.513	2.331	20	30		FEEDRP
CN(C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1)C1CC[NH+](CCc2ccccn2)CC1	ZINC000329284062	553917961	/nfs/dbraw/zinc/91/79/61/553917961.db2.gz	FXWQDLPNOKGULD-GOSISDBHSA-N	2	0	371.529	2.171	20	30		FEEDRP
C[NH+](C)C1(CNC(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)CCCCC1	ZINC000330176075	554079093	/nfs/dbraw/zinc/07/90/93/554079093.db2.gz	JRJPXSOZXZRDAG-MSOLQXFVSA-N	2	0	366.550	2.132	20	30		FEEDRP
Cc1ccn2cc(CNC(=O)Nc3ccn(C4CC[NH+](C)CC4)n3)nc2c1	ZINC000330209173	554085796	/nfs/dbraw/zinc/08/57/96/554085796.db2.gz	HIBBSRZPSLOMDN-UHFFFAOYSA-N	2	0	367.457	2.632	20	30		FEEDRP
CC(C)[C@](C)(C#N)NC(=O)C[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1	ZINC000367886881	556165521	/nfs/dbraw/zinc/16/55/21/556165521.db2.gz	RIQUIVNFFRTFDU-FQEVSTJZSA-N	2	0	357.502	2.284	20	30		FEEDRP
CC(C)[C@](C)(C#N)NC(=O)CN1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1	ZINC000368243851	556257451	/nfs/dbraw/zinc/25/74/51/556257451.db2.gz	QTLXUAXIPXZROV-URVUXULASA-N	2	0	368.525	2.495	20	30		FEEDRP
C[C@@H]1[C@H]([NH+]2CCCC2)CCN1CC#CCN1CC[C@@H]([NH+]2CCCC2)[C@H]1C	ZINC000368627768	556367959	/nfs/dbraw/zinc/36/79/59/556367959.db2.gz	YLEJFBCDKFPCEC-GXRSIYKFSA-N	2	0	358.574	2.107	20	30		FEEDRP
C=CC[NH+]1CCC(NC(=O)N(C)C2CCN(c3cc[nH+]cc3)CC2)CC1	ZINC000369073760	556497646	/nfs/dbraw/zinc/49/76/46/556497646.db2.gz	JGLPRNWHYLGUHM-UHFFFAOYSA-N	2	0	357.502	2.342	20	30		FEEDRP
C#CC[NH+]1CCC(C(=O)Nc2cccc3c2CC[N@@H+](CC(C)(C)O)C3)CC1	ZINC000369909811	556727728	/nfs/dbraw/zinc/72/77/28/556727728.db2.gz	RIUZNKMNGYCFEQ-UHFFFAOYSA-N	2	0	369.509	2.099	20	30		FEEDRP
CCC[NH+]1CCN(C2CC[NH+](CCOc3ccccc3C#N)CC2)CC1	ZINC000377594777	558373225	/nfs/dbraw/zinc/37/32/25/558373225.db2.gz	ZFAZELDQKCXMNT-UHFFFAOYSA-N	2	0	356.514	2.429	20	30		FEEDRP
C[C@H]([NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc(OCC#N)cc1	ZINC000817971652	675188210	/nfs/dbraw/zinc/18/82/10/675188210.db2.gz	FZVJTLYLYLAIAR-XJKSGUPXSA-N	2	0	356.392	2.076	20	30		FEEDRP
C[NH+]=C(NCC1([NH+]2CCSCC2)CCCC1)NC[C@@]1(C)CCCO1	ZINC000261837183	672903991	/nfs/dbraw/zinc/90/39/91/672903991.db2.gz	WEMBABCBGXTCRT-QGZVFWFLSA-N	2	0	354.564	2.082	20	30		FEEDRP
C[NH+](C)CC(C)(C)CNC(=[NH2+])N1CCN(c2ccc(Cl)cc2)CC1	ZINC000303700818	673017214	/nfs/dbraw/zinc/01/72/14/673017214.db2.gz	HURKMDCQSNMXBX-UHFFFAOYSA-N	2	0	351.926	2.365	20	30		FEEDRP
CCOC(=O)N1CCC(NC(=[NH2+])NCCC[NH+](C(C)C)C(C)C)CC1	ZINC000304813016	673021327	/nfs/dbraw/zinc/02/13/27/673021327.db2.gz	YNMMPIQGVJWVGN-UHFFFAOYSA-N	2	0	355.527	2.021	20	30		FEEDRP
C#CC[NH+]1CCC(NC(=O)NC[C@H](c2ccc(Cl)cc2)[NH+](C)C)CC1	ZINC000921175081	683403568	/nfs/dbraw/zinc/40/35/68/683403568.db2.gz	VFAKXNIAAOCLJN-GOSISDBHSA-N	2	0	362.905	2.340	20	30		FEEDRP
C[NH+](C)C[C@@H]1CN(c2cc(C(F)(F)F)cnc2C#N)C[C@H]1C[NH+](C)C	ZINC000866010996	684060142	/nfs/dbraw/zinc/06/01/42/684060142.db2.gz	RMHRSJJCNNWFAI-CHWSQXEVSA-N	2	0	355.408	2.148	20	30		FEEDRP
C=C(Cl)C[C@H]([NH3+])C(=O)Nc1cccc(C(=O)NCC[NH+](CC)CC)c1	ZINC000876722048	686252711	/nfs/dbraw/zinc/25/27/11/686252711.db2.gz	ZUOLMZYJIVWSOY-INIZCTEOSA-N	2	0	366.893	2.167	20	30		FEEDRP
C=CCNC(=O)NC(=O)[C@H](C)[NH2+]Cc1ccccc1C[NH+]1CCCCC1	ZINC000078805146	542481572	/nfs/dbraw/zinc/48/15/72/542481572.db2.gz	RCOWALODJSMNDO-INIZCTEOSA-N	2	0	358.486	2.162	20	30		FEEDRP
C[C@H](C[NH2+]Cc1cn(CCC#N)nc1-c1ccccc1)N1CC[NH+](C)CC1	ZINC000113336600	543484529	/nfs/dbraw/zinc/48/45/29/543484529.db2.gz	UCMXLFTZRNLHOI-GOSISDBHSA-N	2	0	366.513	2.189	20	30		FEEDRP
C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1	ZINC000186577390	327969067	/nfs/dbraw/zinc/96/90/67/327969067.db2.gz	SPQVLDGWZINKNQ-IBGZPJMESA-N	2	0	369.557	2.138	20	30		FEEDRP
C[C@H](CNC(=[NH2+])Nc1ccccc1OC(F)(F)F)C[NH+]1CCN(C)CC1	ZINC000160679837	546062774	/nfs/dbraw/zinc/06/27/74/546062774.db2.gz	CFZNFUJFZFFXHU-CYBMUJFWSA-N	2	0	373.423	2.195	20	30		FEEDRP
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)C1CC[NH+](C2CC2)CC1	ZINC000195355367	548630048	/nfs/dbraw/zinc/63/00/48/548630048.db2.gz	HWIJWNBMKKUPJS-UHFFFAOYSA-N	2	0	354.498	2.323	20	30		FEEDRP
N#Cc1ccc(OC[C@H](O)C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1	ZINC000246522784	549151830	/nfs/dbraw/zinc/15/18/30/549151830.db2.gz	IWOAARHBKFMFDJ-FBBABVLZSA-N	2	0	355.482	2.247	20	30		FEEDRP
CC[C@H](C)NC(=O)c1cccc(CNC(=[NH2+])NC[C@H]2CCC[N@@H+]2CC)c1	ZINC000264121765	549981359	/nfs/dbraw/zinc/98/13/59/549981359.db2.gz	VGUBMXZQEPVJDZ-MAUKXSAKSA-N	2	0	359.518	2.104	20	30		FEEDRP
C=CC[NH+](CC=C)[C@@H](CNC(=O)NCC1([NH+](C)C)CCOCC1)C(C)C	ZINC000265082433	550005832	/nfs/dbraw/zinc/00/58/32/550005832.db2.gz	KFCRFGLUXPKTRC-SFHVURJKSA-N	2	0	366.550	2.095	20	30		FEEDRP
NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CNC(=[NH2+])NC3CCCCC3)c2)C1	ZINC000267393862	550030514	/nfs/dbraw/zinc/03/05/14/550030514.db2.gz	DNNHIMCCWPWMTM-SFHVURJKSA-N	2	0	371.529	2.121	20	30		FEEDRP
CN(C)c1ncc(CNC(=[NH2+])Nc2ccccc2OC(F)(F)F)n1C	ZINC000269621689	550211463	/nfs/dbraw/zinc/21/14/63/550211463.db2.gz	NGYDDOOZAFDCMN-UHFFFAOYSA-N	2	0	356.352	2.312	20	30		FEEDRP
C[N@H+](CC1CCN(c2cc[nH+]cc2)CC1)[C@H](C(N)=O)c1ccc(C#N)cc1	ZINC000501024728	561587896	/nfs/dbraw/zinc/58/78/96/561587896.db2.gz	XDNXOJKZVGDUAQ-FQEVSTJZSA-N	2	0	363.465	2.328	20	30		FEEDRP
CC[NH+]1CCCN(c2nc(N3CCC[N@@H+](CC)CC3)ccc2C#N)CC1	ZINC000302876918	553739277	/nfs/dbraw/zinc/73/92/77/553739277.db2.gz	GGMYQQYQXUCJHR-UHFFFAOYSA-N	2	0	356.518	2.017	20	30		FEEDRP
CN(CCC#N)C(=O)CC[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1	ZINC000311941166	553755765	/nfs/dbraw/zinc/75/57/65/553755765.db2.gz	HXESVNMWCPVQAC-PMACEKPBSA-N	2	0	354.498	2.202	20	30		FEEDRP
C[N@@H+]1CC[C@@H]2CCN(C(=O)NCc3ccc(Cn4ccnc4)cc3)[C@H]2C1	ZINC000329279621	553916221	/nfs/dbraw/zinc/91/62/21/553916221.db2.gz	LTKDYSAFKHUAEH-MOPGFXCFSA-N	2	0	353.470	2.371	20	30		FEEDRP
COc1cc(C[NH2+]C[C@@H]2CCCN(C)[C@@H]2c2cnn(C)c2)ccc1C#N	ZINC000366929027	555973848	/nfs/dbraw/zinc/97/38/48/555973848.db2.gz	XZIZRESRAATVFH-PXNSSMCTSA-N	2	0	353.470	2.473	20	30		FEEDRP
C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+]CCC(=O)Nc1ccc(C#N)cc1	ZINC000368417476	556303145	/nfs/dbraw/zinc/30/31/45/556303145.db2.gz	SHMGIPAJOXIXEV-LSTHTHJFSA-N	2	0	370.497	2.366	20	30		FEEDRP
Cc1cccc(NC[C@@H]2CCCN2CC(=O)NCc2cccc(C#N)c2)n1	ZINC000369900653	556725364	/nfs/dbraw/zinc/72/53/64/556725364.db2.gz	PNOIOLYIZZPGKE-IBGZPJMESA-N	2	0	363.465	2.454	20	30		FEEDRP
CN(CCC#N)C[C@@H](O)C[NH2+]C[C@H]1CCCC[N@H+](Cc2ccccc2)C1	ZINC000517129666	562076709	/nfs/dbraw/zinc/07/67/09/562076709.db2.gz	INIIHLWNCALRQZ-RTWAWAEBSA-N	2	0	358.530	2.085	20	30		FEEDRP
CC1(C)CC[N@H+](CC(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)C1	ZINC000519422007	562131552	/nfs/dbraw/zinc/13/15/52/562131552.db2.gz	IOCHNVZYGZZKRM-UHFFFAOYSA-N	2	0	354.498	2.393	20	30		FEEDRP
C=CCOc1ccc(C[N@@H+]2CCC[C@@H](n3cc(C[NH3+])nn3)C2)cc1OC	ZINC000415119256	559206181	/nfs/dbraw/zinc/20/61/81/559206181.db2.gz	FEQKVCFOYRFXQS-QGZVFWFLSA-N	2	0	357.458	2.147	20	30		FEEDRP
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NC[C@]1(C)CCC[NH2+]C1	ZINC000418534666	559405133	/nfs/dbraw/zinc/40/51/33/559405133.db2.gz	GIFKSWZTKBQIBA-HXUWFJFHSA-N	2	0	357.502	2.021	20	30		FEEDRP
N#Cc1ccc(C[NH2+]CCCC[NH+]2CCN(c3ncccn3)CC2)cc1F	ZINC000421324357	559539112	/nfs/dbraw/zinc/53/91/12/559539112.db2.gz	JOPDQZRBJKNSFU-UHFFFAOYSA-N	2	0	368.460	2.179	20	30		FEEDRP
COCC[N@H+](C)CCCC1CC[NH+]([C@@H](C)C(=O)NC2(C#N)CCC2)CC1	ZINC000469768750	560964053	/nfs/dbraw/zinc/96/40/53/560964053.db2.gz	LSPJKVMRXGNOPZ-KRWDZBQOSA-N	2	0	364.534	2.008	20	30		FEEDRP
C[C@H](CC1(C#N)CCOCC1)[NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1	ZINC000602535130	567992240	/nfs/dbraw/zinc/99/22/40/567992240.db2.gz	NSSBLFRTLORGPW-QGZVFWFLSA-N	2	0	372.513	2.167	20	30		FEEDRP
C[NH+](C)C[C@@H](NC(=O)[C@@H]([NH3+])CCCC#N)c1cccc(C(F)(F)F)c1	ZINC000602583907	567994144	/nfs/dbraw/zinc/99/41/44/567994144.db2.gz	VLVVMYMWWCAFAK-LSDHHAIUSA-N	2	0	356.392	2.445	20	30		FEEDRP
C[C@H]1CCC[N@H+](CCCC[NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)C1	ZINC000580543535	671816906	/nfs/dbraw/zinc/81/69/06/671816906.db2.gz	HFHOYDHWEOWCSR-KRWDZBQOSA-N	2	0	363.527	2.434	20	30		FEEDRP
C[NH+]=C(NCC1([NH+]2CCSCC2)CCCCC1)N(C)Cc1ccon1	ZINC000261733954	672902189	/nfs/dbraw/zinc/90/21/89/672902189.db2.gz	JVHBMZRLTYXSDB-UHFFFAOYSA-N	2	0	365.547	2.434	20	30		FEEDRP
C[NH+]=C(NC[C@@H]1CC[N@H+](C)C1)NC[C@@H]1CCC[NH+](C)[C@@H]1c1cccs1	ZINC000262448902	672915870	/nfs/dbraw/zinc/91/58/70/672915870.db2.gz	ULJBVTCGDYEIFC-BQFCYCMXSA-N	3	0	363.575	2.248	20	30		FEEDRP
CC[NH+]=C(NC[C@]1(C)CCCC[C@@H]1O)N1CC[C@H]([NH+]2CCCCC2)C1	ZINC000262767478	672920401	/nfs/dbraw/zinc/92/04/01/672920401.db2.gz	HUPCHLALONROEH-BJLQDIEVSA-N	2	0	350.551	2.453	20	30		FEEDRP
C[NH+]=C(NCC1(SC)CCOCC1)N1CC[C@H](C[NH+]2CCCCC2)C1	ZINC000262807966	672921454	/nfs/dbraw/zinc/92/14/54/672921454.db2.gz	STAVSUCAONWEFM-QGZVFWFLSA-N	2	0	368.591	2.282	20	30		FEEDRP
CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCNc1ncc(Cl)cc1Cl	ZINC000303872049	673018066	/nfs/dbraw/zinc/01/80/66/673018066.db2.gz	BSRUGJCCBPYWDX-GFCCVEGCSA-N	2	0	359.305	2.189	20	30		FEEDRP
C[C@H]([NH2+]C1(CNC(=[NH2+])N2CCSCC2)CCOCC1)c1ccccc1	ZINC000304736873	673020204	/nfs/dbraw/zinc/02/02/04/673020204.db2.gz	AEZZKBUZUWBIOK-INIZCTEOSA-N	2	0	362.543	2.250	20	30		FEEDRP
C[C@@H]1[C@H](C(=O)NC[C@@H]2CCC[NH+](Cc3ccc(C#N)s3)C2)CC[N@@H+]1C	ZINC001023379680	680258137	/nfs/dbraw/zinc/25/81/37/680258137.db2.gz	MKIIGHMMAFBGTB-RVKKMQEKSA-N	2	0	360.527	2.288	20	30		FEEDRP
C[C@@H]1[C@H](C(=O)N[C@H]2CC[C@H]([NH2+]Cc3ccc(C#N)s3)CC2)CC[N@@H+]1C	ZINC001034647861	680436576	/nfs/dbraw/zinc/43/65/76/680436576.db2.gz	QSWJEXBLYPBIDW-ATNYBXOESA-N	2	0	360.527	2.477	20	30		FEEDRP
C#CC[N@H+](C)CCCNC(=O)NC[C@H]1CCC[NH+](C)[C@H]1c1cccs1	ZINC000836489386	680476065	/nfs/dbraw/zinc/47/60/65/680476065.db2.gz	YWLIBFXLSBIUMH-SJLPKXTDSA-N	2	0	362.543	2.385	20	30		FEEDRP
C=C(C)CONC(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1	ZINC000845601523	681140643	/nfs/dbraw/zinc/14/06/43/681140643.db2.gz	QLSVQZJCLZZKTL-QZTJIDSGSA-N	2	0	352.523	2.473	20	30		FEEDRP
[NH3+]CCOCC[NH+]1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F	ZINC000923532088	684299829	/nfs/dbraw/zinc/29/98/29/684299829.db2.gz	ZJVARFRIWRWPKX-HTQZYQBOSA-N	2	0	356.257	2.065	20	30		FEEDRP
C=C(Cl)C[C@@H]([NH3+])C(=O)Nc1ccccc1C(=O)OC[C@H]1CCC[NH2+]1	ZINC000876521145	686214803	/nfs/dbraw/zinc/21/48/03/686214803.db2.gz	IEYZDVHUCCQBFR-TZMCWYRMSA-N	2	0	351.834	2.004	20	30		FEEDRP
C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@H]1C[NH2+]CC[C@H]1c1ccc(OCC)cc1	ZINC000876964900	686301735	/nfs/dbraw/zinc/30/17/35/686301735.db2.gz	VBZSFZWWXSFKBO-BBWFWOEESA-N	2	0	351.878	2.117	20	30		FEEDRP
N#Cc1c2c(cnc1N1CC[C@H]3[C@H]1CC[N@@H+]3Cc1cccnc1)C[NH2+]CCC2	ZINC001164723633	720329943	/nfs/dbraw/zinc/32/99/43/720329943.db2.gz	IHKGSIHGOPRAMG-LEWJYISDSA-N	2	0	374.492	2.237	20	30		FEEDRP
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12	ZINC000079550069	542526153	/nfs/dbraw/zinc/52/61/53/542526153.db2.gz	MJBMIVXYLRFZIW-VQTJNVASSA-N	2	0	369.513	2.258	20	30		FEEDRP
CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1nccn1CCCc1ccccc1	ZINC000081525254	542662756	/nfs/dbraw/zinc/66/27/56/542662756.db2.gz	FUNQDVWHIMEZIQ-IBGZPJMESA-N	2	0	368.529	2.405	20	30		FEEDRP
C[NH+](C)CCCN(CCC#N)C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1	ZINC000104326797	543128077	/nfs/dbraw/zinc/12/80/77/543128077.db2.gz	FSPDDCUEEJFVJV-UHFFFAOYSA-N	2	0	370.413	2.088	20	30		FEEDRP
C#CCOc1ccc(C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)nc2)cc1	ZINC000113319340	543484050	/nfs/dbraw/zinc/48/40/50/543484050.db2.gz	JPMUBTHQNCZAEX-UHFFFAOYSA-N	2	0	350.466	2.135	20	30		FEEDRP
CC(C)Oc1ccc(NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc1C#N	ZINC000133088698	544255449	/nfs/dbraw/zinc/25/54/49/544255449.db2.gz	IINZKPVSZVAPGK-UHFFFAOYSA-N	2	0	361.490	2.303	20	30		FEEDRP
N#Cc1ccccc1NC(=O)CC[NH+]1CCC(OCC[NH+]2CCCC2)CC1	ZINC000266785872	329259757	/nfs/dbraw/zinc/25/97/57/329259757.db2.gz	WARWOOSTEVJNQZ-UHFFFAOYSA-N	2	0	370.497	2.464	20	30		FEEDRP
CCN(C[C@H](C)C#N)C(=O)CN(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000245457114	548925847	/nfs/dbraw/zinc/92/58/47/548925847.db2.gz	UDJDLDANYMAGSH-UYAOXDASSA-N	2	0	356.514	2.448	20	30		FEEDRP
[NH2+]=C(NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)Nc1cc(F)ccc1F	ZINC000262335055	549811933	/nfs/dbraw/zinc/81/19/33/549811933.db2.gz	ZDJWAKCCEMJIEP-MRXNPFEDSA-N	2	0	360.408	2.458	20	30		FEEDRP
C=C(C)[C@@H](CC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)OCC	ZINC000270104349	550249383	/nfs/dbraw/zinc/24/93/83/550249383.db2.gz	RFCABEYKRBXWJZ-LJQANCHMSA-N	2	0	360.502	2.081	20	30		FEEDRP
CC(C)[NH+]1CCN(C2CC[NH+](C[C@H](O)c3ccc(C#N)cc3)CC2)CC1	ZINC000270915648	550320468	/nfs/dbraw/zinc/32/04/68/550320468.db2.gz	OLHCTRRWXWFDCL-NRFANRHFSA-N	2	0	356.514	2.082	20	30		FEEDRP
OCC[C@@H]([NH2+]CC#CC[NH2+][C@@H](CCO)c1ccccc1)c1ccccc1	ZINC000278693262	550811874	/nfs/dbraw/zinc/81/18/74/550811874.db2.gz	SKGYVEQRRSHBOJ-SZPZYZBQSA-N	2	0	352.478	2.416	20	30		FEEDRP
COc1cc(C[NH2+]Cc2cccc(C(=O)NCC[NH+](C)C)c2)ccc1C#N	ZINC000281598942	551118343	/nfs/dbraw/zinc/11/83/43/551118343.db2.gz	FSXYIUJKWNASFI-UHFFFAOYSA-N	2	0	366.465	2.148	20	30		FEEDRP
C=CCOc1ccc(CC(=O)N(C)CC[N@H+](C)C2CCN(C)CC2)cc1	ZINC000294879499	552940948	/nfs/dbraw/zinc/94/09/48/552940948.db2.gz	DGMDTCWAHMCWLO-UHFFFAOYSA-N	2	0	359.514	2.278	20	30		FEEDRP
CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H](C)c1nc(-c2ccccc2)no1	ZINC000305631271	553748290	/nfs/dbraw/zinc/74/82/90/553748290.db2.gz	FPTQRJIJZYGLKU-HOCLYGCPSA-N	2	0	356.474	2.229	20	30		FEEDRP
C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NCC1([NH+]2CCOCC2)CCCCC1	ZINC000329815602	554010654	/nfs/dbraw/zinc/01/06/54/554010654.db2.gz	VIIJLVDIGVBVHA-SJLPKXTDSA-N	2	0	364.534	2.008	20	30		FEEDRP
CCC[NH+]1CCC(N(C)C(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)CC1	ZINC000330210263	554085753	/nfs/dbraw/zinc/08/57/53/554085753.db2.gz	CFQFFQKVTDTDKA-MOPGFXCFSA-N	2	0	366.550	2.084	20	30		FEEDRP
CN(C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1)C(=O)NC[C@H]1CC[NH+](C2CC2)C1	ZINC000330331454	554106581	/nfs/dbraw/zinc/10/65/81/554106581.db2.gz	OAYCKGHVTMVGEU-KPFFTGBYSA-N	2	0	371.529	2.405	20	30		FEEDRP
CC(C)[NH+]1CCN([C@@H]2CC[N@H+](CCCOc3cccc(C#N)c3)C2)CC1	ZINC000363853019	555199592	/nfs/dbraw/zinc/19/95/92/555199592.db2.gz	PFQZUFUXZFRROS-HXUWFJFHSA-N	2	0	356.514	2.427	20	30		FEEDRP
C#CCOc1ccccc1NC(=O)N1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1	ZINC000364339992	555294461	/nfs/dbraw/zinc/29/44/61/555294461.db2.gz	FLXAUBQJJOUNSJ-KRWDZBQOSA-N	2	0	370.497	2.331	20	30		FEEDRP
Cc1cc(NC(=O)[C@H]([NH3+])CCCC#N)cc(N2CC[NH+](C(C)C)CC2)c1	ZINC000515840622	562023395	/nfs/dbraw/zinc/02/33/95/562023395.db2.gz	UYAHEOLETSPWKX-LJQANCHMSA-N	2	0	357.502	2.485	20	30		FEEDRP
C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCC[C@@H]4O[C@@H](CC#N)C[C@@H]43)cn2)CC1	ZINC000373223027	557652945	/nfs/dbraw/zinc/65/29/45/557652945.db2.gz	GBQIIJBCNZGLQZ-NMLBUPMWSA-N	2	0	369.513	2.163	20	30		FEEDRP
C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2Cc1nnc(-c2ccc(C#N)cc2)o1	ZINC000378245682	558510286	/nfs/dbraw/zinc/51/02/86/558510286.db2.gz	CUAJVGIVBBGRLP-KURKYZTESA-N	2	0	367.453	2.292	20	30		FEEDRP
CC(=O)N1CCC[N@H+](C[C@@H]2CCCN(Cc3cc(C#N)cs3)C2)CC1	ZINC000449508295	560232148	/nfs/dbraw/zinc/23/21/48/560232148.db2.gz	UYFJMFSAUPIJOW-KRWDZBQOSA-N	2	0	360.527	2.386	20	30		FEEDRP
C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)N1CCc2c(CC#N)cccc2C1	ZINC000602333731	567969378	/nfs/dbraw/zinc/96/93/78/567969378.db2.gz	OBUFVZOUKKANKD-KRWDZBQOSA-N	2	0	371.529	2.092	20	30		FEEDRP
CC[NH+]=C(NC[C@H]1CCC[N@@H+]1CC1CCCCC1)N1CCC(O)CC1	ZINC000086834399	670684651	/nfs/dbraw/zinc/68/46/51/670684651.db2.gz	NBIMHNOFTBUTJG-GOSISDBHSA-N	2	0	350.551	2.453	20	30		FEEDRP
CC[NH+]=C(NCC1([NH+]2CCCC2)CCOCC1)N1CCSC(C)(C)C1	ZINC000261790183	672903154	/nfs/dbraw/zinc/90/31/54/672903154.db2.gz	GDIOQXYONHEERS-UHFFFAOYSA-N	2	0	368.591	2.424	20	30		FEEDRP
CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCC#Cc1cccc(C(F)(F)F)c1	ZINC000304761680	673020860	/nfs/dbraw/zinc/02/08/60/673020860.db2.gz	USTRHVNNMZOCMM-INIZCTEOSA-N	2	0	352.404	2.446	20	30		FEEDRP
N#CCCCC[C@H]([NH3+])C(=O)NCC1([NH+]2CCSCC2)CCCCC1	ZINC000594435885	673071671	/nfs/dbraw/zinc/07/16/71/673071671.db2.gz	AQLSMFQCYFJJBU-INIZCTEOSA-N	2	0	352.548	2.266	20	30		FEEDRP
C#C[C@@H](NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1ccc(Cl)cc1	ZINC000820572501	675371524	/nfs/dbraw/zinc/37/15/24/675371524.db2.gz	HHGOSERPOAZESV-QGZVFWFLSA-N	2	0	350.894	2.149	20	30		FEEDRP
C[C@@H](CNC(NCc1cccs1)=[NH+]C(C)(C)C)C[NH+]1CCN(C)CC1	ZINC000912506105	685388653	/nfs/dbraw/zinc/38/86/53/685388653.db2.gz	JGVYWQYAANZWLW-INIZCTEOSA-N	2	0	365.591	2.465	20	30		FEEDRP
C=C(C)CONC(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1	ZINC000845601527	681140626	/nfs/dbraw/zinc/14/06/26/681140626.db2.gz	QLSVQZJCLZZKTL-ROUUACIJSA-N	2	0	352.523	2.473	20	30		FEEDRP
Cc1ncsc1CN(C[C@@H](O)c1ccc(C#N)cc1)C[C@@H]1CC[NH2+]C1	ZINC000923336381	684265171	/nfs/dbraw/zinc/26/51/71/684265171.db2.gz	KKJSKWKKWMIRIR-SJLPKXTDSA-N	2	0	356.495	2.468	20	30		FEEDRP
C=C(Cl)C[C@H]([NH3+])C(=O)Nc1cccc(C(=O)OC[C@@H]2CCC[NH2+]2)c1	ZINC000876520451	686214282	/nfs/dbraw/zinc/21/42/82/686214282.db2.gz	LQCIUVXZJRWCQR-GJZGRUSLSA-N	2	0	351.834	2.004	20	30		FEEDRP
C=C(Cl)C[C@H]([NH3+])C(=O)Nc1cccc(C[NH+]2CCC(CO)CC2)c1	ZINC000876745772	686259169	/nfs/dbraw/zinc/25/91/69/686259169.db2.gz	LPNCYPWZMASWDF-KRWDZBQOSA-N	2	0	351.878	2.299	20	30		FEEDRP
C=C(Cl)C[C@H]([NH3+])C(=O)Nc1ccc(CN2CC[NH+](CC)CC2)cc1	ZINC000876780036	686267278	/nfs/dbraw/zinc/26/72/78/686267278.db2.gz	BFIHYOJRLLMRMG-KRWDZBQOSA-N	2	0	350.894	2.233	20	30		FEEDRP
C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H](C[NH+]1CCCC1)c1ccc(OC)cc1	ZINC000876904439	686291497	/nfs/dbraw/zinc/29/14/97/686291497.db2.gz	YZVVDZAOAHKANK-DLBZAZTESA-N	2	0	351.878	2.418	20	30		FEEDRP
C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1	ZINC000876926212	686295811	/nfs/dbraw/zinc/29/58/11/686295811.db2.gz	MHBLRDOZHRAYFJ-OAHLLOKOSA-N	2	0	365.909	2.053	20	30		FEEDRP
N#C[C@H]1C[NH2+]CC12CC(C(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1)C2	ZINC000884274792	687835004	/nfs/dbraw/zinc/83/50/04/687835004.db2.gz	VCOZACIDNYKWIN-ULKWEWGCSA-N	2	0	352.360	2.242	20	30		FEEDRP
C#CC[NH+]1CCC(C(=O)NC[C@@H](c2ccc(OC)cc2)[NH+]2CCCC2)CC1	ZINC000057126633	540769724	/nfs/dbraw/zinc/76/97/24/540769724.db2.gz	GIFLXFYENLQIHT-NRFANRHFSA-N	2	0	369.509	2.294	20	30		FEEDRP
COc1ccc(C[NH2+]CC(C)(C)N2CC[NH+](C)CC2)cc1OCCCC#N	ZINC000064613901	541213173	/nfs/dbraw/zinc/21/31/73/541213173.db2.gz	VAFRLLBUEZLEGU-UHFFFAOYSA-N	2	0	374.529	2.493	20	30		FEEDRP
CN(CCC#N)C(=O)CC[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1	ZINC000092821205	542889029	/nfs/dbraw/zinc/88/90/29/542889029.db2.gz	PMOHTHIXHVBYRU-UHFFFAOYSA-N	2	0	357.502	2.382	20	30		FEEDRP
N#CCc1ccc(OC[C@@H](O)CN2CCC[C@H]([NH+]3CCCC3)CC2)cc1	ZINC000151147599	544509515	/nfs/dbraw/zinc/50/95/15/544509515.db2.gz	IYBSVDLQVBGKQD-PMACEKPBSA-N	2	0	357.498	2.443	20	30		FEEDRP
C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1	ZINC000171305593	546203218	/nfs/dbraw/zinc/20/32/18/546203218.db2.gz	IKWAVUVSUXXHMP-OTWHNJEPSA-N	2	0	363.546	2.397	20	30		FEEDRP
N#Cc1ccc(CN2CCC([NH2+]CCCC[NH+]3CCOCC3)CC2)cc1	ZINC000181514117	547326799	/nfs/dbraw/zinc/32/67/99/547326799.db2.gz	JAIJGMMFJOTPOP-UHFFFAOYSA-N	2	0	356.514	2.225	20	30		FEEDRP
CC[NH+]=C(NC[C@H]1CCOc2ccccc21)N1CC[C@@H]([NH+]2CC=CC2)C1	ZINC000262773680	549848565	/nfs/dbraw/zinc/84/85/65/549848565.db2.gz	INWGPZAQTZRJMV-QZTJIDSGSA-N	2	0	354.498	2.464	20	30		FEEDRP
C=CC[NH+](CC=C)[C@H](CNC(=O)c1ccn([C@H]2CCC[NH2+]C2)n1)C(C)C	ZINC000262822346	549853522	/nfs/dbraw/zinc/85/35/22/549853522.db2.gz	RIAHAAOKGLEPFI-PKOBYXMFSA-N	2	0	359.518	2.236	20	30		FEEDRP
C[NH+]=C(NCc1cccc(OCC[N@H+](C)C2CCOCC2)c1)NC1CC1	ZINC000264043285	549972111	/nfs/dbraw/zinc/97/21/11/549972111.db2.gz	JNYSZAKSUSGHTO-UHFFFAOYSA-N	2	0	360.502	2.004	20	30		FEEDRP
CN1CCC[N@H+](CCCNC(=[NH2+])Nc2ccc(OC(F)(F)F)cc2)CC1	ZINC000264087948	549977728	/nfs/dbraw/zinc/97/77/28/549977728.db2.gz	KAHYSBYODXRUDA-UHFFFAOYSA-N	2	0	373.423	2.339	20	30		FEEDRP
C[NH+]1CCC(CC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)CC1	ZINC000273268763	550492126	/nfs/dbraw/zinc/49/21/26/550492126.db2.gz	OFXPMUNDTVDKSH-UHFFFAOYSA-N	2	0	354.498	2.324	20	30		FEEDRP
C[N@@H+]1CCN(CC[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)CC1(C)C	ZINC000282429433	551227532	/nfs/dbraw/zinc/22/75/32/551227532.db2.gz	TWHCHIVTDBIIID-UHFFFAOYSA-N	2	0	369.557	2.138	20	30		FEEDRP
CC[NH+]1CCN(CCC[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)CC1	ZINC000285476507	551762207	/nfs/dbraw/zinc/76/22/07/551762207.db2.gz	BFQLXTCLOYJSDK-UHFFFAOYSA-N	2	0	355.530	2.144	20	30		FEEDRP
CN(C)CC[NH+]1CCC(C[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)CC1	ZINC000286148571	551854544	/nfs/dbraw/zinc/85/45/44/551854544.db2.gz	PIRUIXAUGPIBBX-UHFFFAOYSA-N	2	0	369.557	2.390	20	30		FEEDRP
CC[N@@H+]1CCC[C@@H](CNC(=O)NC2CCN(c3cc(C)nc(C)n3)CC2)C1	ZINC000328728297	553813036	/nfs/dbraw/zinc/81/30/36/553813036.db2.gz	VNBOTXXGHLXMAQ-KRWDZBQOSA-N	2	0	374.533	2.298	20	30		FEEDRP
CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Cc1c(F)cccc1C#N	ZINC000509076816	561784085	/nfs/dbraw/zinc/78/40/85/561784085.db2.gz	HESKMEGBWBIWTF-QGZVFWFLSA-N	2	0	360.477	2.114	20	30		FEEDRP
C[N@H+](C[C@@H]1CC12CC[NH+](C[C@H](O)COc1ccc(C#N)cc1)CC2)C1CC1	ZINC000362618193	554976036	/nfs/dbraw/zinc/97/60/36/554976036.db2.gz	WYQOMWDITWQBCJ-ICSRJNTNSA-N	2	0	369.509	2.494	20	30		FEEDRP
CCC[NH+]1CCN(C2CC[NH+](CCOc3cccc(C#N)c3)CC2)CC1	ZINC000369153160	556517996	/nfs/dbraw/zinc/51/79/96/556517996.db2.gz	CBIUVKLOXZRFSF-UHFFFAOYSA-N	2	0	356.514	2.429	20	30		FEEDRP
C[C@H]1C[N@H+](CCCOc2cccc(C#N)c2)CC[C@@H]1N1CC[NH+](C)CC1	ZINC000370147556	556793302	/nfs/dbraw/zinc/79/33/02/556793302.db2.gz	DNTHEZAFAVRWQC-RXVVDRJESA-N	2	0	356.514	2.285	20	30		FEEDRP
CN(CCC#N)C[C@@H](O)C[NH2+]C[C@@H]1CCCC[N@H+](Cc2ccccc2)C1	ZINC000517129667	562076811	/nfs/dbraw/zinc/07/68/11/562076811.db2.gz	INIIHLWNCALRQZ-SFTDATJTSA-N	2	0	358.530	2.085	20	30		FEEDRP
COc1cc(C#N)ccc1OCC[N@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1	ZINC000371259023	557122969	/nfs/dbraw/zinc/12/29/69/557122969.db2.gz	FGZZZMBAIADVAZ-LJQANCHMSA-N	2	0	372.513	2.046	20	30		FEEDRP
C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCC(N2CC[NH+](C(C)C)CC2)CC1	ZINC000371350071	557156237	/nfs/dbraw/zinc/15/62/37/557156237.db2.gz	PIJTYWLDFCFOPJ-LJQANCHMSA-N	2	0	364.578	2.290	20	30		FEEDRP
C=CC[NH+](CC=C)[C@H](CNC(=O)c1c[nH]nc1[C@@H]1CCC[NH2+]C1)C(C)C	ZINC000423323681	559625481	/nfs/dbraw/zinc/62/54/81/559625481.db2.gz	AKVOYMCIRMLFLZ-SJLPKXTDSA-N	2	0	359.518	2.305	20	30		FEEDRP
C=C[C@@H]1OCC[C@H]1[NH2+][C@@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1	ZINC000451604334	560317018	/nfs/dbraw/zinc/31/70/18/560317018.db2.gz	GTBKWRNFKAKYPI-DBVUQKKJSA-N	2	0	357.498	2.089	20	30		FEEDRP
C=C[C@@H]1OCCC[C@H]1[NH2+]CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1	ZINC000451673883	560321208	/nfs/dbraw/zinc/32/12/08/560321208.db2.gz	MCSSPLHUEARJHX-UXHICEINSA-N	2	0	357.498	2.222	20	30		FEEDRP
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NCC[C@@H]1CCC[N@H+](C)C1	ZINC000459251813	560676063	/nfs/dbraw/zinc/67/60/63/560676063.db2.gz	GMSJHCZPFCDWCS-IBGZPJMESA-N	2	0	371.529	2.363	20	30		FEEDRP
CC[NH+]=C(NC[C@]1(C)CCCC[C@@H]1O)N1CC[C@H](C[NH+]2CCCC2)C1	ZINC000131054471	672083669	/nfs/dbraw/zinc/08/36/69/672083669.db2.gz	CILOSXAOVISVEO-HBFSDRIKSA-N	2	0	350.551	2.311	20	30		FEEDRP
C[NH+]=C(NC[C@@H]1CCCO1)NCC1([NH+]2CCSCC2)CCCCC1	ZINC000263162701	672929018	/nfs/dbraw/zinc/92/90/18/672929018.db2.gz	YVWDFFKCTCCQBC-INIZCTEOSA-N	2	0	354.564	2.082	20	30		FEEDRP
CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCC#Cc1ccc(C(F)(F)F)cc1	ZINC000304811700	673021262	/nfs/dbraw/zinc/02/12/62/673021262.db2.gz	XLVKFWGSQBRNNW-MRXNPFEDSA-N	2	0	352.404	2.446	20	30		FEEDRP
CC(C)CC[NH+]1CCC(C[NH2+]C[C@H](O)CC2(C#N)CCOCC2)CC1	ZINC000600729885	673795221	/nfs/dbraw/zinc/79/52/21/673795221.db2.gz	NSEROZLDRGJPLN-LJQANCHMSA-N	2	0	351.535	2.405	20	30		FEEDRP
C[C@@H]1[C@H](C(=O)N2C[C@@H]([NH2+]Cc3ccc(C#N)s3)C(C)(C)C2)CC[N@@H+]1C	ZINC000995826246	680304653	/nfs/dbraw/zinc/30/46/53/680304653.db2.gz	PIATWPWBXHVOCU-KBRIMQKVSA-N	2	0	360.527	2.287	20	30		FEEDRP
C[NH+](C)[C@@H](CNC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N)c1ccc(Cl)cc1	ZINC000884231154	687825066	/nfs/dbraw/zinc/82/50/66/687825066.db2.gz	KHULKNWJMQEJPE-QZDWLRDRSA-N	2	0	360.889	2.198	20	30		FEEDRP
N#Cc1cc(Cl)cc(C[N@@H+]2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)c1	ZINC000903446153	690894415	/nfs/dbraw/zinc/89/44/15/690894415.db2.gz	UJEWXPNUOULTNU-KDOFPFPSSA-N	2	0	360.889	2.292	20	30		FEEDRP
COCC[N@H+](CCCN1CC[NH+](C(C)C)CC1)Cc1ccc(C#N)cc1	ZINC000192727434	328335711	/nfs/dbraw/zinc/33/57/11/328335711.db2.gz	CHRFIJNEVPTNBV-UHFFFAOYSA-N	2	0	358.530	2.423	20	30		FEEDRP
C#CC[NH+]1CCC(C(=O)NC2CC[NH+]([C@H](C)c3ccncc3)CC2)CC1	ZINC000155349666	545515727	/nfs/dbraw/zinc/51/57/27/545515727.db2.gz	JUUAXSJZJDNRLD-QGZVFWFLSA-N	2	0	354.498	2.068	20	30		FEEDRP
CC[NH+]=C(NC[C@H]1CC[N@H+](C)C1)N(C)Cc1cc(Br)cn1C	ZINC000159476532	545957502	/nfs/dbraw/zinc/95/75/02/545957502.db2.gz	PPBCEFMDYBAODF-CYBMUJFWSA-N	2	0	370.339	2.137	20	30		FEEDRP
C=CC[NH+]1CCC(NC(=O)NC[C@H](c2cccc(OC)c2)[NH+](C)C)CC1	ZINC000171699251	546219635	/nfs/dbraw/zinc/21/96/35/546219635.db2.gz	KVQMOCBIFUMSHL-LJQANCHMSA-N	2	0	360.502	2.248	20	30		FEEDRP
C=CC[NH+]1CCC(NC(=O)N[C@H]2CC[N@@H+](CCCOCC)C[C@H]2C)CC1	ZINC000172150866	546237893	/nfs/dbraw/zinc/23/78/93/546237893.db2.gz	VCKNWDFDYSHDAV-MJGOQNOKSA-N	2	0	366.550	2.073	20	30		FEEDRP
C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]CCNC(=O)C3N=CC=CC3=O)CC2)C1	ZINC000180882615	547201615	/nfs/dbraw/zinc/20/16/15/547201615.db2.gz	LVXJUWBHHFKYET-RFGMHMOMSA-N	2	0	360.502	2.146	20	30		FEEDRP
C[NH+]=C(NCc1coc(-c2ccccc2)n1)N[C@H]1C[N@@H+](C2CC2)C[C@@H]1C	ZINC000262010024	549779488	/nfs/dbraw/zinc/77/94/88/549779488.db2.gz	WJQYZYLBFQEYPU-KSSFIOAISA-N	2	0	353.470	2.489	20	30		FEEDRP
C[NH+]=C(NCCc1nc(C(F)(F)F)cs1)N1CC[C@@H]([NH+]2CC=CC2)C1	ZINC000262794531	549850415	/nfs/dbraw/zinc/85/04/15/549850415.db2.gz	OXGWQPZQZBGEFC-GFCCVEGCSA-N	2	0	373.448	2.226	20	30		FEEDRP
CC[N@H+](CCNC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)C1CC1	ZINC000263681490	549918226	/nfs/dbraw/zinc/91/82/26/549918226.db2.gz	KTXUVAVXHZRNFB-UHFFFAOYSA-N	2	0	357.502	2.116	20	30		FEEDRP
CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1cccc(NC(=O)C2CCC2)c1	ZINC000264112131	549980817	/nfs/dbraw/zinc/98/08/17/549980817.db2.gz	PEBGBXNVOGOGIK-GOSISDBHSA-N	2	0	357.502	2.314	20	30		FEEDRP
C#CC[N@H+](C)CCCNC(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1	ZINC000296557158	553179038	/nfs/dbraw/zinc/17/90/38/553179038.db2.gz	GFDXENQWOMKQKR-SEJPIABJSA-N	2	0	368.525	2.436	20	30		FEEDRP
C[C@H]1CCCC[N@@H+]1CCC(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CC(=O)N(C)C	ZINC000329218398	553904977	/nfs/dbraw/zinc/90/49/77/553904977.db2.gz	RRZDBGRYLUJIQM-OOKSDGMUSA-N	2	0	364.534	2.291	20	30		FEEDRP
C[C@@H](NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)[C@@H]1CCC[NH2+]C1	ZINC000516856939	562060809	/nfs/dbraw/zinc/06/08/09/562060809.db2.gz	IMBUGGINHLXDAP-YLJYHZDGSA-N	2	0	369.513	2.164	20	30		FEEDRP
CN1CC[NH+](CC2(C)CC[NH+](CCOc3ccccc3C#N)CC2)CC1	ZINC000373254612	557659141	/nfs/dbraw/zinc/65/91/41/557659141.db2.gz	FSVKTOAPBFGOEK-UHFFFAOYSA-N	2	0	356.514	2.287	20	30		FEEDRP
CC(C)[NH+]1CCN([C@@H]2CC[N@H+](CCCOc3ccc(C#N)cc3)C2)CC1	ZINC000375890716	558094714	/nfs/dbraw/zinc/09/47/14/558094714.db2.gz	NUBNHRTYGZKFHB-HXUWFJFHSA-N	2	0	356.514	2.427	20	30		FEEDRP
C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[N@@H+](C)[C@@H](c4ccccc4)[C@@H]3C2)CC1	ZINC000377819792	558426521	/nfs/dbraw/zinc/42/65/21/558426521.db2.gz	ZLODWUBNBHMARW-HBMCJLEFSA-N	2	0	351.494	2.093	20	30		FEEDRP
C[C@@H](C(=O)Nc1ccccc1C#N)N1CCC(C)(C[NH+]2CCOCC2)CC1	ZINC000378268270	558515709	/nfs/dbraw/zinc/51/57/09/558515709.db2.gz	DSLFDANKPGTBBZ-KRWDZBQOSA-N	2	0	370.497	2.320	20	30		FEEDRP
C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CCCN(C2CC[NH+](CC)CC2)CC1	ZINC000420984629	559517357	/nfs/dbraw/zinc/51/73/57/559517357.db2.gz	UAFVGDOUVHAFQJ-LJQANCHMSA-N	2	0	362.562	2.068	20	30		FEEDRP
CN1CC[NH+](CC2(C)CCN(Cc3c(C#N)cccc3[N+](=O)[O-])CC2)CC1	ZINC000459402829	560684389	/nfs/dbraw/zinc/68/43/89/560684389.db2.gz	NQYUICPJIKSBLP-UHFFFAOYSA-N	2	0	371.485	2.316	20	30		FEEDRP
C=CCNC(=O)NC(=O)C[NH+]1CCC(CC[N@@H+](CC)CC(C)C)CC1	ZINC000540196983	673527172	/nfs/dbraw/zinc/52/71/72/673527172.db2.gz	GRQAYKJTTZIKGI-UHFFFAOYSA-N	2	0	352.523	2.078	20	30		FEEDRP
N#Cc1cc(C[NH2+]CCCC[NH+]2CCN(c3ncccn3)CC2)cs1	ZINC000921684427	683542553	/nfs/dbraw/zinc/54/25/53/683542553.db2.gz	ULEKHOAGSKYHDF-UHFFFAOYSA-N	2	0	356.499	2.102	20	30		FEEDRP
C=C(Cl)C[C@@H]([NH3+])C(=O)NCc1ccc(N2CC[NH+](CC)CC2)c(F)c1	ZINC000876783840	686268399	/nfs/dbraw/zinc/26/83/99/686268399.db2.gz	OQMBDLABICLIGI-MRXNPFEDSA-N	2	0	368.884	2.054	20	30		FEEDRP
C=CCC[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1)[C@@]1(C)CCCCO1	ZINC000902792794	690808054	/nfs/dbraw/zinc/80/80/54/690808054.db2.gz	DIWCARWLFJGNGB-WSTZPKSXSA-N	2	0	351.535	2.457	20	30		FEEDRP
CC[NH+]1CCN(CCC[NH2+]Cc2ccc(OC)c(OCCCC#N)c2)CC1	ZINC000064613978	541212929	/nfs/dbraw/zinc/21/29/29/541212929.db2.gz	SXEFNZBLKJOSCP-UHFFFAOYSA-N	2	0	374.529	2.495	20	30		FEEDRP
C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1	ZINC000081613814	542668314	/nfs/dbraw/zinc/66/83/14/542668314.db2.gz	QURVZBMYMAIAER-UXHICEINSA-N	2	0	354.498	2.323	20	30		FEEDRP
C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)CC1	ZINC000131785590	544206807	/nfs/dbraw/zinc/20/68/07/544206807.db2.gz	PCAVEAPZMFUTDJ-ICSRJNTNSA-N	2	0	353.510	2.358	20	30		FEEDRP
C=C(C)CN1CCC([NH2+][C@H](C)c2ccc(S(=O)(=O)NC)cc2)CC1	ZINC000153046914	544726879	/nfs/dbraw/zinc/72/68/79/544726879.db2.gz	NAUBFGDNDJAAHK-OAHLLOKOSA-N	2	0	351.516	2.286	20	30		FEEDRP
Cn1cc(C[NH2+]CCCN2CC[NH+](Cc3ccccc3)CC2)cc1C#N	ZINC000190752520	328230378	/nfs/dbraw/zinc/23/03/78/328230378.db2.gz	OEJACGPELWESGL-UHFFFAOYSA-N	2	0	351.498	2.194	20	30		FEEDRP
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1	ZINC000160693661	546064162	/nfs/dbraw/zinc/06/41/62/546064162.db2.gz	FGNZKPNJDXWGPI-FQEVSTJZSA-N	2	0	369.513	2.116	20	30		FEEDRP
C=CC[NH+]1CCC(NC(=O)NC[C@@H](C)[N@@H+]2CCc3ccccc3C2)CC1	ZINC000171715384	546220263	/nfs/dbraw/zinc/22/02/63/546220263.db2.gz	BWMGZDLTOHFQKL-QGZVFWFLSA-N	2	0	356.514	2.383	20	30		FEEDRP
Cn1cc(C[NH2+]CCCC[NH+]2CCOCC2)c(-c2ccc(C#N)cc2)n1	ZINC000180053525	547044005	/nfs/dbraw/zinc/04/40/05/547044005.db2.gz	LVUILBWHVQFGDD-UHFFFAOYSA-N	2	0	353.470	2.161	20	30		FEEDRP
Cn1cc(C[NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)c(-c2ccc(C#N)cc2)n1	ZINC000180191144	547065528	/nfs/dbraw/zinc/06/55/28/547065528.db2.gz	HGJGIAJLSDRPHP-HXUWFJFHSA-N	2	0	367.497	2.285	20	30		FEEDRP
COc1ccc(C[NH2+]Cc2ccccc2C[N@@H+]2CC[C@@H](O)C2)cc1C#N	ZINC000180997412	547227391	/nfs/dbraw/zinc/22/73/91/547227391.db2.gz	FDLATKATPKXRKH-HXUWFJFHSA-N	2	0	351.450	2.423	20	30		FEEDRP
N#Cc1ccc(CN2CCC([NH2+]CCCC[N@H+]3CCC[C@H]3CO)CC2)cc1	ZINC000181733102	547369304	/nfs/dbraw/zinc/36/93/04/547369304.db2.gz	FRNXIIATBKPJEW-QFIPXVFZSA-N	2	0	370.541	2.349	20	30		FEEDRP
C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CCC(CCC[NH+](CC)CC)CC1	ZINC000182753797	547547181	/nfs/dbraw/zinc/54/71/81/547547181.db2.gz	NHEYZPFZZVOCJG-INIZCTEOSA-N	2	0	352.523	2.221	20	30		FEEDRP
CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@H](C)Oc1ccccc1C#N	ZINC000249746453	549623436	/nfs/dbraw/zinc/62/34/36/549623436.db2.gz	NPPCTRIKIZLQTI-PKOBYXMFSA-N	2	0	372.513	2.200	20	30		FEEDRP
CCOCCCNC(NCc1ccc(OC)cc1)=[NH+]CCCC[NH+](C)C	ZINC000263991105	549965212	/nfs/dbraw/zinc/96/52/12/549965212.db2.gz	VUBRPFRAJGICIV-UHFFFAOYSA-N	2	0	364.534	2.499	20	30		FEEDRP
CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCC1(c2ccc(F)cc2)CCOCC1	ZINC000264098703	549979001	/nfs/dbraw/zinc/97/90/01/549979001.db2.gz	NJIAKZQJHPLHGM-GOSISDBHSA-N	2	0	362.493	2.263	20	30		FEEDRP
C[N@H+](CCCN1CC[NH+](C)CC1)Cc1ccc(C#N)cc1OC(F)F	ZINC000492913948	561453483	/nfs/dbraw/zinc/45/34/83/561453483.db2.gz	VPQPSUZDEDGDDM-UHFFFAOYSA-N	2	0	352.429	2.229	20	30		FEEDRP
C[N@@H+]1CC[C@@H](CNC(=[NH2+])N2CCOCC2)[C@H]1c1ccc(Cl)c(F)c1	ZINC000270538551	550281728	/nfs/dbraw/zinc/28/17/28/550281728.db2.gz	BGSBAYVQPSYHGW-XJKSGUPXSA-N	2	0	354.857	2.119	20	30		FEEDRP
COc1ccc(C[NH2+][C@@H](C)CCN2CC[NH+](C)CC2)cc1OCCCC#N	ZINC000274630545	550547052	/nfs/dbraw/zinc/54/70/52/550547052.db2.gz	ZJOWXUBMZWBBQC-SFHVURJKSA-N	2	0	374.529	2.493	20	30		FEEDRP
N#CCCn1cc(C[NH2+]CCCC[NH+]2CCOCC2)c(-c2ccncc2)n1	ZINC000278763769	550819421	/nfs/dbraw/zinc/81/94/21/550819421.db2.gz	XMXAGHMLRBYVMZ-UHFFFAOYSA-N	2	0	368.485	2.061	20	30		FEEDRP
C#CC[N@H+](C)CCCNC(=O)NC[C@@H]1CCC[NH+](Cc2cccs2)C1	ZINC000296208820	553122654	/nfs/dbraw/zinc/12/26/54/553122654.db2.gz	CXRVBMNVUUGLST-KRWDZBQOSA-N	2	0	362.543	2.214	20	30		FEEDRP
C[C@H]1C[C@H](NC(=O)N2CCC[NH+](Cc3ccc(C#N)cc3)CC2)CC[N@@H+]1C	ZINC000332936428	554545560	/nfs/dbraw/zinc/54/55/60/554545560.db2.gz	XALCJMVJEUSQLF-FXAWDEMLSA-N	2	0	369.513	2.258	20	30		FEEDRP
Cc1nn(C)c(N2CCC[N@H+](C)CC2)c1C[NH2+]Cc1cccc(C#N)c1	ZINC000363533554	555130326	/nfs/dbraw/zinc/13/03/26/555130326.db2.gz	HUDAZSSAPDVRSY-UHFFFAOYSA-N	2	0	352.486	2.032	20	30		FEEDRP
C[C@@H](C#N)Oc1ccc(C[NH+]2CCC(C[NH+]3CCN(C)CC3)CC2)cc1	ZINC000368584049	556352619	/nfs/dbraw/zinc/35/26/19/556352619.db2.gz	LPKWUEJZBOBCDC-SFHVURJKSA-N	2	0	356.514	2.437	20	30		FEEDRP
CC(C)[NH+]1CCN([C@H]2CC[N@H+](CCCOc3ccc(C#N)cc3)C2)CC1	ZINC000375890715	558094649	/nfs/dbraw/zinc/09/46/49/558094649.db2.gz	NUBNHRTYGZKFHB-FQEVSTJZSA-N	2	0	356.514	2.427	20	30		FEEDRP
C=CC[NH+]1CCC(NC(=O)N2CC[C@@H](c3ccc(F)cc3)[C@H]([NH3+])C2)CC1	ZINC000417529626	559366084	/nfs/dbraw/zinc/36/60/84/559366084.db2.gz	QBLFTGWGBUFPPW-RBUKOAKNSA-N	2	0	360.477	2.302	20	30		FEEDRP
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NC[C@@]1(C)CCC[NH2+]C1	ZINC000418534665	559405160	/nfs/dbraw/zinc/40/51/60/559405160.db2.gz	GIFKSWZTKBQIBA-FQEVSTJZSA-N	2	0	357.502	2.021	20	30		FEEDRP
C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2CCC(=O)Nc1cccc(C#N)c1	ZINC000441250369	560027244	/nfs/dbraw/zinc/02/72/44/560027244.db2.gz	QIQXFDWTIHSMKZ-QYZOEREBSA-N	2	0	356.470	2.070	20	30		FEEDRP
C=CCOc1cccc(C[N@@H+]2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)c1	ZINC000469850053	560966581	/nfs/dbraw/zinc/96/65/81/560966581.db2.gz	GMQNBVVQIODGPG-AZUAARDMSA-N	2	0	357.498	2.332	20	30		FEEDRP
N#Cc1cc(NCC[NH+]2CCCC2)cc(NCC[NH+]2CCCC2)c1[N+](=O)[O-]	ZINC000536986936	562583779	/nfs/dbraw/zinc/58/37/79/562583779.db2.gz	JLWDTTANSNHZDQ-UHFFFAOYSA-N	2	0	372.473	2.482	20	30		FEEDRP
CN(C(=O)CN1CCCN(c2cc[nH+]cc2)CC1)C1(C#N)CCCCC1	ZINC000602844728	567999976	/nfs/dbraw/zinc/99/99/76/567999976.db2.gz	FBOUHWIKOFTIKV-UHFFFAOYSA-N	2	0	355.486	2.279	20	30		FEEDRP
CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCOc1ncc(Cl)cc1Cl	ZINC000126155698	672020927	/nfs/dbraw/zinc/02/09/27/672020927.db2.gz	JVUYPMGRIXDNEQ-LBPRGKRZSA-N	2	0	360.289	2.156	20	30		FEEDRP
CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCOc1ccc(C(F)(F)F)cc1	ZINC000303868045	673018183	/nfs/dbraw/zinc/01/81/83/673018183.db2.gz	DHGSTHWTEMHAJX-AWEZNQCLSA-N	2	0	358.408	2.473	20	30		FEEDRP
C[NH+]1CCN(CCC[NH2+]Cc2cc(C#N)ccc2Br)CC1	ZINC000921509385	683488576	/nfs/dbraw/zinc/48/85/76/683488576.db2.gz	QEEDFHCIZATHPX-UHFFFAOYSA-N	2	0	351.292	2.048	20	30		FEEDRP
[NH3+]CCOCC[N@@H+]1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F	ZINC000923532089	684299928	/nfs/dbraw/zinc/29/99/28/684299928.db2.gz	ZJVARFRIWRWPKX-OCAPTIKFSA-N	2	0	356.257	2.065	20	30		FEEDRP
C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1	ZINC000876782417	686268430	/nfs/dbraw/zinc/26/84/30/686268430.db2.gz	QEBXQPPGYVCBSV-CZUORRHYSA-N	2	0	368.884	2.225	20	30		FEEDRP
C=C(Cl)C[C@H]([NH3+])C(=O)Nc1ccc(N2CC[NH+](CC)CC2)c(F)c1	ZINC000877265758	686346215	/nfs/dbraw/zinc/34/62/15/686346215.db2.gz	IVGOODGVSAQGES-HNNXBMFYSA-N	2	0	354.857	2.376	20	30		FEEDRP
CC[NH+](CC)[C@@H](CNC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N)c1ccsc1	ZINC000884188679	687812419	/nfs/dbraw/zinc/81/24/19/687812419.db2.gz	NKGLUTHJPABLFO-ISXWCOSWSA-N	2	0	360.527	2.387	20	30		FEEDRP
N#Cc1cc(C[NH+]2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)cs1	ZINC000894451332	689534842	/nfs/dbraw/zinc/53/48/42/689534842.db2.gz	KIYPHBGVHSNXED-UHFFFAOYSA-N	2	0	360.527	2.434	20	30		FEEDRP
C=CCC[C@H]([NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1)[C@@]1(C)CCCCO1	ZINC000902792791	690808121	/nfs/dbraw/zinc/80/81/21/690808121.db2.gz	DIWCARWLFJGNGB-CMKODMSKSA-N	2	0	351.535	2.457	20	30		FEEDRP
N#Cc1cc(Cl)cc(C[N@@H+]2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)c1	ZINC000903446149	690894406	/nfs/dbraw/zinc/89/44/06/690894406.db2.gz	UJEWXPNUOULTNU-KBXCAEBGSA-N	2	0	360.889	2.292	20	30		FEEDRP
C#CC[NH+]1CCC(C(=O)NCC2CC[NH+](Cc3ccccc3)CC2)CC1	ZINC000067861084	541521928	/nfs/dbraw/zinc/52/19/28/541521928.db2.gz	HXWNZPCGKICWKS-UHFFFAOYSA-N	2	0	353.510	2.360	20	30		FEEDRP
C=CCNC(=O)NC(=O)[C@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H](C)C1	ZINC000079303683	542511550	/nfs/dbraw/zinc/51/15/50/542511550.db2.gz	LHHKGTVHQRNXOF-IRXDYDNUSA-N	2	0	372.513	2.408	20	30		FEEDRP
C#CC[NH+]1CCC(C(=O)N(C)CCC2CCN(c3cc[nH+]cc3)CC2)CC1	ZINC000092517364	542867355	/nfs/dbraw/zinc/86/73/55/542867355.db2.gz	CSGYDYNFUBGUER-UHFFFAOYSA-N	2	0	368.525	2.492	20	30		FEEDRP
CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc(C)cc1O[C@@H]1CCOC1	ZINC000129172750	544094937	/nfs/dbraw/zinc/09/49/37/544094937.db2.gz	AEZWKCNHKLAPHS-ZWKOTPCHSA-N	2	0	360.502	2.051	20	30		FEEDRP
C#CC[NH+]1CCC(C(=O)NCC2CC[NH+](Cc3cccs3)CC2)CC1	ZINC000145670160	544436209	/nfs/dbraw/zinc/43/62/09/544436209.db2.gz	KQIHWUMQDHGKTC-UHFFFAOYSA-N	2	0	359.539	2.422	20	30		FEEDRP
C[NH+]1CCC(Nc2cc(C#N)c([N+](=O)[O-])c(NC3CC[NH+](C)CC3)c2)CC1	ZINC000269365840	329511794	/nfs/dbraw/zinc/51/17/94/329511794.db2.gz	OBMIMXQVXFVRRR-UHFFFAOYSA-N	2	0	372.473	2.479	20	30		FEEDRP
CC(C)[NH+]1CCN(C2CC[NH+](C[C@@H](O)c3ccc(C#N)cc3)CC2)CC1	ZINC000270915651	329644561	/nfs/dbraw/zinc/64/45/61/329644561.db2.gz	OLHCTRRWXWFDCL-OAQYLSRUSA-N	2	0	356.514	2.082	20	30		FEEDRP
[NH2+]=C(NCCCC[NH+]1CCOCC1)Nc1ccccc1OC(F)(F)F	ZINC000160662818	546060634	/nfs/dbraw/zinc/06/06/34/546060634.db2.gz	BGYOUCIRGNUBTL-UHFFFAOYSA-N	2	0	360.380	2.424	20	30		FEEDRP
C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2cc(C[NH+](C)C)ccc2C)CC1	ZINC000176076995	546403111	/nfs/dbraw/zinc/40/31/11/546403111.db2.gz	OJGDLOPLZCIETP-UHFFFAOYSA-N	2	0	372.513	2.152	20	30		FEEDRP
C[NH+](C)CCN1CCC([NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)CC1	ZINC000181467329	547320236	/nfs/dbraw/zinc/32/02/36/547320236.db2.gz	XNOAGEJBMGGLMD-UHFFFAOYSA-N	2	0	369.557	2.138	20	30		FEEDRP
C[C@H]1C[NH+]=C(NCc2ccccc2C[NH+]2CCN(c3ccccc3)CC2)N1	ZINC000262627114	549833191	/nfs/dbraw/zinc/83/31/91/549833191.db2.gz	DWCBABRHLLUNAU-SFHVURJKSA-N	2	0	363.509	2.446	20	30		FEEDRP
C[C@@H]1C[NH+]=C(NCc2ccccc2C[NH+]2CCN(c3ccccc3)CC2)N1	ZINC000262627112	549833361	/nfs/dbraw/zinc/83/33/61/549833361.db2.gz	DWCBABRHLLUNAU-GOSISDBHSA-N	2	0	363.509	2.446	20	30		FEEDRP
C[NH+]=C(NC[C@@H](O)c1ccc(Cl)cc1)N1CC[C@@H](C[NH+]2CCCC2)C1	ZINC000262821676	549853315	/nfs/dbraw/zinc/85/33/15/549853315.db2.gz	YJUGTLRPZDOAOZ-MAUKXSAKSA-N	2	0	364.921	2.367	20	30		FEEDRP
CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(NC(=O)c2ccco2)cc1	ZINC000264113973	549980776	/nfs/dbraw/zinc/98/07/76/549980776.db2.gz	PMEOVPVWKZAMIH-QGZVFWFLSA-N	2	0	369.469	2.421	20	30		FEEDRP
C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1	ZINC000267272719	550029581	/nfs/dbraw/zinc/02/95/81/550029581.db2.gz	ARIQPXWYALIDMC-RXVVDRJESA-N	2	0	353.510	2.358	20	30		FEEDRP
Cc1cc(C#N)ccc1C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1	ZINC000269724530	550220270	/nfs/dbraw/zinc/22/02/70/550220270.db2.gz	RAAACDFOAGALPS-UHFFFAOYSA-N	2	0	363.465	2.204	20	30		FEEDRP
C#CC[N@H+](C)CCCNC(=O)NCc1ccc(-n2ccnc2C)c(F)c1	ZINC000296395933	553152901	/nfs/dbraw/zinc/15/29/01/553152901.db2.gz	QGZKZAVOTZZOHN-UHFFFAOYSA-N	2	0	357.433	2.074	20	30		FEEDRP
C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NC[C@@H]1C[C@H](F)CN1Cc1nccn1C	ZINC000329957198	554038604	/nfs/dbraw/zinc/03/86/04/554038604.db2.gz	QAPQEUJQPDCZAA-FZKCQIBNSA-N	2	0	351.470	2.162	20	30		FEEDRP
C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2CCC(=O)Nc1ccc(C#N)cc1	ZINC000371288876	557132969	/nfs/dbraw/zinc/13/29/69/557132969.db2.gz	GAZCETFJHJGKTE-QRVBRYPASA-N	2	0	356.470	2.070	20	30		FEEDRP
C[NH+](C)CCOc1cnccc1C[NH2+][C@@H]1CCC[C@@H]2O[C@@H](CC#N)C[C@@H]21	ZINC000377559963	558364583	/nfs/dbraw/zinc/36/45/83/558364583.db2.gz	FEYKHTZFKYVWHC-MANSERQUSA-N	2	0	358.486	2.351	20	30		FEEDRP
N#Cc1ccc(C[N@H+]2CCCN(C(=O)NC[C@@H]3CCC[C@H]([NH3+])C3)CC2)cc1	ZINC000418707338	559411844	/nfs/dbraw/zinc/41/18/44/559411844.db2.gz	BNWJLNYFHVJBBS-UXHICEINSA-N	2	0	369.513	2.293	20	30		FEEDRP
C=CCn1cc(CNCc2ccccc2N2CC[NH+](CCC)CC2)nn1	ZINC000424176122	559656720	/nfs/dbraw/zinc/65/67/20/559656720.db2.gz	WRQHTEWWLSHJBW-UHFFFAOYSA-N	2	0	354.502	2.286	20	30		FEEDRP
COc1cccc([C@@H]2[C@@H](NC(=O)[C@H]([NH3+])CCCC#N)CC[N@@H+]2C2CC2)c1	ZINC000424177939	559656724	/nfs/dbraw/zinc/65/67/24/559656724.db2.gz	VNHYXVXBFZTGNS-CEXWTWQISA-N	2	0	356.470	2.110	20	30		FEEDRP
CC[NH+](CC)CCO[C@H]1CC[N@H+](CCC(=O)Nc2ccccc2C#N)C1	ZINC000472267012	561022348	/nfs/dbraw/zinc/02/23/48/561022348.db2.gz	AMPDTCHDNHIEQT-SFHVURJKSA-N	2	0	358.486	2.320	20	30		FEEDRP
CC[NH+](CC)CCO[C@H]1CC[N@H+](CCC(=O)Nc2cccc(C#N)c2)C1	ZINC000472269388	561022440	/nfs/dbraw/zinc/02/24/40/561022440.db2.gz	VQMQTMGNXOHQNV-IBGZPJMESA-N	2	0	358.486	2.320	20	30		FEEDRP
CN(C)c1ncc(C[NH2+]C2CCC(Oc3ncccc3C#N)CC2)n1C	ZINC000569441434	568402417	/nfs/dbraw/zinc/40/24/17/568402417.db2.gz	QNNKJCLKVUIGOD-UHFFFAOYSA-N	2	0	354.458	2.233	20	30		FEEDRP
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NCc1ccc(C[NH3+])cc1	ZINC000569600964	568409132	/nfs/dbraw/zinc/40/91/32/568409132.db2.gz	NGGATRQKFLSIQS-UHFFFAOYSA-N	2	0	365.481	2.290	20	30		FEEDRP
C[C@H]([NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc(OCC#N)cc1	ZINC000817971641	675188482	/nfs/dbraw/zinc/18/84/82/675188482.db2.gz	FZVJTLYLYLAIAR-BBRMVZONSA-N	2	0	356.392	2.076	20	30		FEEDRP
CC1CC[NH+](CCCC[NH2+]CCS(=O)(=O)c2cccc(C#N)c2)CC1	ZINC000580064199	671780065	/nfs/dbraw/zinc/78/00/65/671780065.db2.gz	PBMAGYXRWXKCAG-UHFFFAOYSA-N	2	0	363.527	2.434	20	30		FEEDRP
C[NH+]=C(NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1)NCC1(O)CCC1	ZINC000262816394	672921456	/nfs/dbraw/zinc/92/14/56/672921456.db2.gz	WUJRBDJXUVUCOR-HOCLYGCPSA-N	2	0	350.532	2.211	20	30		FEEDRP
CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(OC)c(OC(F)F)c1	ZINC000303888140	673018304	/nfs/dbraw/zinc/01/83/04/673018304.db2.gz	LGCBNIUYGXCRPQ-CYBMUJFWSA-N	2	0	356.417	2.185	20	30		FEEDRP
C[NH+]1CCC(CNC(=[NH2+])NCCc2cccs2)(N2CCCCC2)CC1	ZINC000304798042	673020526	/nfs/dbraw/zinc/02/05/26/673020526.db2.gz	NNVSIXLIXCNAQG-UHFFFAOYSA-N	2	0	363.575	2.145	20	30		FEEDRP
C=C(Cl)C[NH+]1CCC2(CO[C@@H](CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)CC1	ZINC001045672285	680637364	/nfs/dbraw/zinc/63/73/64/680637364.db2.gz	QBKNCNWRPPQSDY-BRWVUGGUSA-N	2	0	369.937	2.066	20	30		FEEDRP
C=C(Cl)C[C@@H]([NH3+])C(=O)Nc1ccccc1C(=O)OC1CC[NH2+]CC1	ZINC000876520340	686214031	/nfs/dbraw/zinc/21/40/31/686214031.db2.gz	JKVJITWAYYULHY-CQSZACIVSA-N	2	0	351.834	2.004	20	30		FEEDRP
C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1	ZINC000067361159	541449475	/nfs/dbraw/zinc/44/94/75/541449475.db2.gz	CAUOKNLCTOUQBS-FQEVSTJZSA-N	2	0	353.510	2.360	20	30		FEEDRP
C=C(C)C[NH+]1CCC(NC(=O)CC[NH+]2CCN(c3ccccc3)CC2)CC1	ZINC000073437106	541953727	/nfs/dbraw/zinc/95/37/27/541953727.db2.gz	QVGXNVZGKFPSPA-UHFFFAOYSA-N	2	0	370.541	2.355	20	30		FEEDRP
C[NH+](C)CCNC(=O)C1CC[NH+](Cc2cccc(OCCCC#N)c2)CC1	ZINC000092615643	542875013	/nfs/dbraw/zinc/87/50/13/542875013.db2.gz	XNRANIUILMXQNN-UHFFFAOYSA-N	2	0	372.513	2.259	20	30		FEEDRP
C[C@H](CNC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)[NH+](C)C1CC1	ZINC000105266110	543167294	/nfs/dbraw/zinc/16/72/94/543167294.db2.gz	ZMBMRJXHLYRCFH-QGZVFWFLSA-N	2	0	369.513	2.258	20	30		FEEDRP
CC[NH+]1CCN([C@H](C)C[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)CC1	ZINC000180051678	327669181	/nfs/dbraw/zinc/66/91/81/327669181.db2.gz	ANLUKEIWPUBNRV-QGZVFWFLSA-N	2	0	366.513	2.074	20	30		FEEDRP
CC[NH+]1CCN(Cc2ccccc2C[NH2+]Cc2cc(C#N)n(C)c2)CC1	ZINC000190778318	328232156	/nfs/dbraw/zinc/23/21/56/328232156.db2.gz	MZZNQUYLTCPJNK-UHFFFAOYSA-N	2	0	351.498	2.324	20	30		FEEDRP
CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCc1cccc(C#N)c1	ZINC000173790592	327284471	/nfs/dbraw/zinc/28/44/71/327284471.db2.gz	OERHERBQRVHZOC-IBGZPJMESA-N	2	0	357.502	2.116	20	30		FEEDRP
C#CC[NH+]1CCC(C(=O)NC[C@@H](C2CC2)[N@H+](C)Cc2ccccc2)CC1	ZINC000187455156	548257241	/nfs/dbraw/zinc/25/72/41/548257241.db2.gz	PENXIWFGXKGSDV-NRFANRHFSA-N	2	0	353.510	2.358	20	30		FEEDRP
C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CCC(=O)N(C)CCC#N	ZINC000249296892	549577919	/nfs/dbraw/zinc/57/79/19/549577919.db2.gz	NBRNFQIJMFRVKR-WGMWDUQUSA-N	2	0	356.514	2.495	20	30		FEEDRP
C[NH+]=C(N[C@@H]1[C@H]2CCO[C@H]2C1(C)C)NC1CC[NH+](Cc2ccccn2)CC1	ZINC000262389644	549816035	/nfs/dbraw/zinc/81/60/35/549816035.db2.gz	LYKFUTNQJYBULR-GUDVDZBRSA-N	2	0	371.529	2.025	20	30		FEEDRP
CCc1cccc(NC(=[NH2+])NCc2cccc(C(=O)NCC[NH+](C)C)c2)c1	ZINC000264132740	549983382	/nfs/dbraw/zinc/98/33/82/549983382.db2.gz	YKWDSYRQJAWYDY-UHFFFAOYSA-N	2	0	367.497	2.467	20	30		FEEDRP
C[C@@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)C1=CC[N@H+](C)CC1	ZINC000272968075	550478710	/nfs/dbraw/zinc/47/87/10/550478710.db2.gz	ODLJTCKZKIZEKS-QGZVFWFLSA-N	2	0	369.513	2.282	20	30		FEEDRP
CC(C)[C@@](C)(C#N)NC(=O)CN1CCC[C@@H](c2ncc3n2CCCC3)C1	ZINC000282048487	551173687	/nfs/dbraw/zinc/17/36/87/551173687.db2.gz	LWOKYWQXINSTFN-OXQOHEQNSA-N	2	0	357.502	2.453	20	30		FEEDRP
C[NH+]1CCC(Nc2cc(NC3CC[NH+](C)CC3)c([N+](=O)[O-])cc2C#N)CC1	ZINC000286110379	551850060	/nfs/dbraw/zinc/85/00/60/551850060.db2.gz	LQDFPXRGDAEIMC-UHFFFAOYSA-N	2	0	372.473	2.479	20	30		FEEDRP
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1	ZINC000504316259	561656199	/nfs/dbraw/zinc/65/61/99/561656199.db2.gz	GBUZVCRBLDHNFP-WOJBJXKFSA-N	2	0	369.513	2.258	20	30		FEEDRP
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1	ZINC000504316256	561656256	/nfs/dbraw/zinc/65/62/56/561656256.db2.gz	GBUZVCRBLDHNFP-PMACEKPBSA-N	2	0	369.513	2.258	20	30		FEEDRP
CC(C)[NH+]1CCC(NC(=O)NCC2([NH+]3CCCC3)CCOCC2)CC1	ZINC000329124198	553884762	/nfs/dbraw/zinc/88/47/62/553884762.db2.gz	SFGIXNAGRMKJNM-UHFFFAOYSA-N	2	0	352.523	2.008	20	30		FEEDRP
CC[NH+]1CCN(c2ccc(CNC(=O)[C@@H]3CCC[N@@H+]3C3CC3)cn2)CC1	ZINC000330270960	554097150	/nfs/dbraw/zinc/09/71/50/554097150.db2.gz	VBZYKQAWJICHOW-SFHVURJKSA-N	2	0	357.502	2.307	20	30		FEEDRP
C[C@H]1C[C@@H](NC(=O)N2CCC[NH+](Cc3ccc(C#N)cc3)CC2)CC[N@@H+]1C	ZINC000332936429	554545739	/nfs/dbraw/zinc/54/57/39/554545739.db2.gz	XALCJMVJEUSQLF-PXNSSMCTSA-N	2	0	369.513	2.258	20	30		FEEDRP
C=C(C)C[NH+]1CCC(NC(=O)NCC2([NH3+])C3CC4CC(C3)CC2C4)CC1	ZINC000333135340	554577971	/nfs/dbraw/zinc/57/79/71/554577971.db2.gz	CFFMWCZEBRQIJM-UHFFFAOYSA-N	2	0	360.546	2.480	20	30		FEEDRP
COc1ccc([C@H](CCC#N)[NH2+][C@@H]2CCN(CCN3CCOCC3)C2)cc1	ZINC000365732722	555654054	/nfs/dbraw/zinc/65/40/54/555654054.db2.gz	GDRWUBMPRJWEIG-CTNGQTDRSA-N	2	0	372.513	2.036	20	30		FEEDRP
C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](Cc3cnc(C)s3)C[C@H]2C)CC1	ZINC000370942578	557023792	/nfs/dbraw/zinc/02/37/92/557023792.db2.gz	QRZKFWFTDSDJTI-DNVCBOLYSA-N	2	0	374.554	2.123	20	30		FEEDRP
C=CC[NH+](CC=C)[C@H](CNC(=O)[C@]1([NH3+])[C@@H]2CCCO[C@H]2C1(C)C)C(C)C	ZINC000372567400	557506917	/nfs/dbraw/zinc/50/69/17/557506917.db2.gz	FVMVVSQRDVJCAI-NEYJZJCJSA-N	2	0	363.546	2.334	20	30		FEEDRP
O=C(NCC[NH2+]C1CC[NH+](CC2CCCCC2)CC1)C1N=CC=CC1=O	ZINC000373136238	557635939	/nfs/dbraw/zinc/63/59/39/557635939.db2.gz	COVAVMXFYPQODI-VXPUYCOJSA-N	2	0	360.502	2.147	20	30		FEEDRP
CCCC[C@H](C[NH3+])NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1	ZINC000418445067	559401935	/nfs/dbraw/zinc/40/19/35/559401935.db2.gz	MWUOAATXCMAISY-LJQANCHMSA-N	2	0	357.502	2.293	20	30		FEEDRP
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H](C[NH3+])C1CCCC1	ZINC000418608645	559407727	/nfs/dbraw/zinc/40/77/27/559407727.db2.gz	BMYXOUYCUIXJEO-LJQANCHMSA-N	2	0	357.502	2.149	20	30		FEEDRP
CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCc1ccc(C#N)s1	ZINC000422211524	559571663	/nfs/dbraw/zinc/57/16/63/559571663.db2.gz	DBGNZZSNRXOJOK-OAHLLOKOSA-N	2	0	363.531	2.177	20	30		FEEDRP
COc1cccc([C@@H]2[C@H](NC(=O)[C@@H]([NH3+])CCCC#N)CC[N@@H+]2C2CC2)c1	ZINC000424177942	559656655	/nfs/dbraw/zinc/65/66/55/559656655.db2.gz	VNHYXVXBFZTGNS-IPMKNSEASA-N	2	0	356.470	2.110	20	30		FEEDRP
C[C@@H]1[C@H](Nc2ccc(C#N)c(N[C@H]3CCC[NH+](C)[C@H]3C)n2)CCC[N@@H+]1C	ZINC000436354610	559940474	/nfs/dbraw/zinc/94/04/74/559940474.db2.gz	CBPGUBDJAMBLQO-ATLSCFEFSA-N	2	0	356.518	2.742	20	30		FEEDRP
CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCCc1cccc(C#N)c1	ZINC000466815174	560896469	/nfs/dbraw/zinc/89/64/69/560896469.db2.gz	LKCJJOMWUFXCPL-HXUWFJFHSA-N	2	0	371.529	2.158	20	30		FEEDRP
C[C@H](CC1(C#N)CCOCC1)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1	ZINC000602510603	567989164	/nfs/dbraw/zinc/98/91/64/567989164.db2.gz	KCGZISJTVMZIGN-QGZVFWFLSA-N	2	0	357.502	2.022	20	30		FEEDRP
C[NH+](C)C[C@@H](NC(=O)[C@H]([NH3+])CCCC#N)c1cccc(C(F)(F)F)c1	ZINC000602583906	567994137	/nfs/dbraw/zinc/99/41/37/567994137.db2.gz	VLVVMYMWWCAFAK-HUUCEWRRSA-N	2	0	356.392	2.445	20	30		FEEDRP
C[NH+]=C(NCC1([NH+](C)C)CCOCC1)N(C)Cc1ccccc1Cl	ZINC000088382532	670691293	/nfs/dbraw/zinc/69/12/93/670691293.db2.gz	NBMKVPJWKFAWOB-UHFFFAOYSA-N	2	0	352.910	2.458	20	30		FEEDRP
C[C@H]1CCC[N@H+](CCCC[NH2+]CCS(=O)(=O)c2cccc(C#N)c2)C1	ZINC000565945515	675162796	/nfs/dbraw/zinc/16/27/96/675162796.db2.gz	IRGRXQMLFIRZMY-KRWDZBQOSA-N	2	0	363.527	2.434	20	30		FEEDRP
CSC1(CNC(=[NH2+])Nc2ccc3c(c2)OCCCO3)CC[NH+](C)CC1	ZINC000262301448	672912778	/nfs/dbraw/zinc/91/27/78/672912778.db2.gz	NSDIWVRSZOHXCV-UHFFFAOYSA-N	2	0	364.515	2.402	20	30		FEEDRP
CC(C)CCC[C@@H](C)NC(=[NH2+])NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C	ZINC000303975526	673018998	/nfs/dbraw/zinc/01/89/98/673018998.db2.gz	JDIZHDBQOONTCR-SJORKVTESA-N	2	0	353.555	2.048	20	30		FEEDRP
CC(C)CCC[C@H](C)NC(=[NH2+])NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C	ZINC000303975523	673019152	/nfs/dbraw/zinc/01/91/52/673019152.db2.gz	JDIZHDBQOONTCR-DLBZAZTESA-N	2	0	353.555	2.048	20	30		FEEDRP
CC[C@@H]1[C@@H](C(=O)NC[C@H]2CC[NH+](Cc3ccc(C#N)s3)C2)CC[N@@H+]1C	ZINC001028552567	680375785	/nfs/dbraw/zinc/37/57/85/680375785.db2.gz	QHSGVMKXNASANO-FHLIZLRMSA-N	2	0	360.527	2.288	20	30		FEEDRP
CC[NH+]1CCN([C@H](C)C[NH2+]Cc2cc(C#N)ccc2Br)CC1	ZINC000921529737	683493976	/nfs/dbraw/zinc/49/39/76/683493976.db2.gz	OPMGZFBZXVJLFM-CQSZACIVSA-N	2	0	365.319	2.436	20	30		FEEDRP
Cc1ncsc1CN(C[C@H](O)c1ccc(C#N)cc1)C[C@H]1CC[NH2+]C1	ZINC000923336382	684265274	/nfs/dbraw/zinc/26/52/74/684265274.db2.gz	KKJSKWKKWMIRIR-WMZOPIPTSA-N	2	0	356.495	2.468	20	30		FEEDRP
C[NH+](C)[C@H](CNC(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21)c1cccs1	ZINC000876710154	686249728	/nfs/dbraw/zinc/24/97/28/686249728.db2.gz	FLAHNLONRGIJOU-SJLPKXTDSA-N	2	0	354.479	2.226	20	30		FEEDRP
N#C[C@H]1C[NH2+]CC12CC(C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1)C2	ZINC000884178790	687809146	/nfs/dbraw/zinc/80/91/46/687809146.db2.gz	UYBODCGZRCIXPI-IOSXPMGOSA-N	2	0	358.511	2.141	20	30		FEEDRP
C[NH+](C)[C@H](CNC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N)c1ccc(Cl)cc1	ZINC000884231152	687825211	/nfs/dbraw/zinc/82/52/11/687825211.db2.gz	KHULKNWJMQEJPE-HLCARVAJSA-N	2	0	360.889	2.198	20	30		FEEDRP
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@H]1C[C@H]2CCCC[N@@H+]2C1	ZINC000080572493	542595556	/nfs/dbraw/zinc/59/55/56/542595556.db2.gz	YRNKDDGTBAJJJL-VQTJNVASSA-N	2	0	354.498	2.323	20	30		FEEDRP
CC(C)[N@H+](C)CCNC(=O)N1CCC[NH+](Cc2ccc(C#N)cc2)CC1	ZINC000102063472	543058323	/nfs/dbraw/zinc/05/83/23/543058323.db2.gz	JHADFMUZBBAQHT-UHFFFAOYSA-N	2	0	357.502	2.116	20	30		FEEDRP
C[NH+](C)CCNC(=O)C1CC[NH+](Cc2ccccc2C(C)(C)C#N)CC1	ZINC000178524853	546807467	/nfs/dbraw/zinc/80/74/67/546807467.db2.gz	FXSZOUMWUNNGAM-UHFFFAOYSA-N	2	0	356.514	2.378	20	30		FEEDRP
COCCN1CCC[C@H]1C[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1	ZINC000181674916	547357845	/nfs/dbraw/zinc/35/78/45/547357845.db2.gz	GOBYJLMYPLTKQL-NRFANRHFSA-N	2	0	356.514	2.223	20	30		FEEDRP
CCN(CCC#N)C(=O)CN[C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C	ZINC000248865412	549517193	/nfs/dbraw/zinc/51/71/93/549517193.db2.gz	AWMMNZZDUBSOII-WGMWDUQUSA-N	2	0	356.514	2.495	20	30		FEEDRP
CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCc1coc(-c2ccc(F)cc2)n1	ZINC000264330164	549994591	/nfs/dbraw/zinc/99/45/91/549994591.db2.gz	ZYORGYQSHUEVPF-QGZVFWFLSA-N	2	0	359.449	2.412	20	30		FEEDRP
C[NH+](CC#CC[N@@H+](C)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C	ZINC000375472060	558033161	/nfs/dbraw/zinc/03/31/61/558033161.db2.gz	NAJNLXNPHJUIJC-FZWBFHRNSA-N	2	0	360.542	2.480	20	30		FEEDRP
C=CCc1cc(CN2CCN([C@@H]3CCC[N@H+](C)C3)CC2)cc(OC)c1O	ZINC000378357235	558537919	/nfs/dbraw/zinc/53/79/19/558537919.db2.gz	VIDZGUNZZZCOFR-LJQANCHMSA-N	2	0	359.514	2.341	20	30		FEEDRP
C[C@@H]1C[N@H+](CCCOc2ccc(C#N)cc2)CCN1C1CC[NH+](C)CC1	ZINC000378371934	558542096	/nfs/dbraw/zinc/54/20/96/558542096.db2.gz	SYBJGPIJUAATFG-GOSISDBHSA-N	2	0	356.514	2.427	20	30		FEEDRP
N#Cc1cccc([N+](=O)[O-])c1NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1	ZINC000425223471	559692237	/nfs/dbraw/zinc/69/22/37/559692237.db2.gz	MQXNLPHLDREFCG-UHFFFAOYSA-N	2	0	366.425	2.486	20	30		FEEDRP
C[C@H](CC1(C#N)CCOCC1)[NH2+]CCN1CC[NH+](Cc2ccccc2)CC1	ZINC000602499175	567983746	/nfs/dbraw/zinc/98/37/46/567983746.db2.gz	NXPKGJDBNFYMIA-HXUWFJFHSA-N	2	0	370.541	2.493	20	30		FEEDRP
COCC[N@@H+]1CCC[C@H]1CNC(=[NH2+])Nc1ccccc1OC(F)(F)F	ZINC000160712787	672292966	/nfs/dbraw/zinc/29/29/66/672292966.db2.gz	AMPSXIROTNIHRK-LBPRGKRZSA-N	2	0	360.380	2.423	20	30		FEEDRP
C[NH+]=C(NCc1ccc(Br)cc1)N1CC[C@H]([NH+]2CC=CC2)C1	ZINC000262761373	672920526	/nfs/dbraw/zinc/92/05/26/672920526.db2.gz	JNBMGCRJZFBBDQ-INIZCTEOSA-N	2	0	363.303	2.471	20	30		FEEDRP
CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCOc1cccc(C(F)(F)F)c1	ZINC000303878064	673017843	/nfs/dbraw/zinc/01/78/43/673017843.db2.gz	IYKNBJZJCTTZKH-CQSZACIVSA-N	2	0	358.408	2.473	20	30		FEEDRP
CCCN(CCNC(=[NH2+])NC[C@@H]1CCC[N@@H+]1CC)C(=O)OC(C)(C)C	ZINC000305269406	673021303	/nfs/dbraw/zinc/02/13/03/673021303.db2.gz	SFZOUXBDOGRLDP-HNNXBMFYSA-N	2	0	355.527	2.022	20	30		FEEDRP
C=C(C)CONC(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1	ZINC000845601519	681140600	/nfs/dbraw/zinc/14/06/00/681140600.db2.gz	QLSVQZJCLZZKTL-MSOLQXFVSA-N	2	0	352.523	2.473	20	30		FEEDRP
N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1	ZINC000846313140	681223912	/nfs/dbraw/zinc/22/39/12/681223912.db2.gz	KJSMCYMXNXZXIX-RHSMWYFYSA-N	2	0	359.499	2.108	20	30		FEEDRP
C[NH+](C)C[C@@H](NC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N)c1ccc(Cl)cc1	ZINC000884312764	687844136	/nfs/dbraw/zinc/84/41/36/687844136.db2.gz	NJAVZDFTDVPELF-HLCARVAJSA-N	2	0	360.889	2.198	20	30		FEEDRP
C[NH+](C)C[C@@H](NC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N)c1ccc(Cl)cc1	ZINC000884312765	687844719	/nfs/dbraw/zinc/84/47/19/687844719.db2.gz	NJAVZDFTDVPELF-QXCFYTAISA-N	2	0	360.889	2.198	20	30		FEEDRP
CC[NH+]1CCC(NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)CC1	ZINC000053975477	540562476	/nfs/dbraw/zinc/56/24/76/540562476.db2.gz	ZUARBCHASHEFNI-UHFFFAOYSA-N	2	0	369.513	2.260	20	30		FEEDRP
CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@@H](C)Oc1ccc(C#N)cc1	ZINC000125553419	543887579	/nfs/dbraw/zinc/88/75/79/543887579.db2.gz	ZIBJKMQRUPCEGL-IEBWSBKVSA-N	2	0	372.513	2.200	20	30		FEEDRP
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1	ZINC000160693532	546064060	/nfs/dbraw/zinc/06/40/60/546064060.db2.gz	FGNZKPNJDXWGPI-HXUWFJFHSA-N	2	0	369.513	2.116	20	30		FEEDRP
C=CC[NH+]1CCC(NC(=O)NCc2ccc(OCC[NH+](C)C)cc2)CC1	ZINC000171709569	546219943	/nfs/dbraw/zinc/21/99/43/546219943.db2.gz	UAQMWCAOUNHYFH-UHFFFAOYSA-N	2	0	360.502	2.077	20	30		FEEDRP
C=CC[NH+]1CCC(NC(=O)NCCC[N@@H+]2CCc3ccccc3C2)CC1	ZINC000171711725	546220379	/nfs/dbraw/zinc/22/03/79/546220379.db2.gz	DWTZBZYNPKTGID-UHFFFAOYSA-N	2	0	356.514	2.384	20	30		FEEDRP
CCO[C@H](CC[NH+](C)C)C[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1	ZINC000181874929	547395870	/nfs/dbraw/zinc/39/58/70/547395870.db2.gz	XLAWOZHRWUIVDQ-OAQYLSRUSA-N	2	0	358.530	2.469	20	30		FEEDRP
C[NH+]=C(N[C@@H]1[C@H]2CCO[C@@H]2C1(C)C)NC1CC[NH+](Cc2ccccn2)CC1	ZINC000262389648	549816057	/nfs/dbraw/zinc/81/60/57/549816057.db2.gz	LYKFUTNQJYBULR-QRVBRYPASA-N	2	0	371.529	2.025	20	30		FEEDRP
C#CC[NH+]1CCC(C(=O)N(Cc2ccncc2)C[C@H]2CCC[N@H+]2CC)CC1	ZINC000264564880	549997891	/nfs/dbraw/zinc/99/78/91/549997891.db2.gz	RFEJNPKVPNCIEM-OAQYLSRUSA-N	2	0	368.525	2.240	20	30		FEEDRP
C=CC[NH+](CC=C)[C@H](CNC(=O)NCC1([NH+](C)C)CCOCC1)C(C)C	ZINC000265082431	550005712	/nfs/dbraw/zinc/00/57/12/550005712.db2.gz	KFCRFGLUXPKTRC-GOSISDBHSA-N	2	0	366.550	2.095	20	30		FEEDRP
C[C@@H]([NH2+]CCNC(=O)C1N=CC=CC1=O)[C@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000272562268	550458151	/nfs/dbraw/zinc/45/81/51/550458151.db2.gz	GUMVMTXFDOQYMW-XANXLALBSA-N	2	0	368.481	2.013	20	30		FEEDRP
CN(CCC#N)C(=O)CC[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1	ZINC000285626551	551785263	/nfs/dbraw/zinc/78/52/63/551785263.db2.gz	QZQOALGBNNGDPQ-NRFANRHFSA-N	2	0	354.498	2.347	20	30		FEEDRP
N#Cc1cccc(C[NH+]2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)c1	ZINC000289892569	552395234	/nfs/dbraw/zinc/39/52/34/552395234.db2.gz	SXYICPRFTMATMH-UHFFFAOYSA-N	2	0	354.498	2.372	20	30		FEEDRP
CCOCCCNC(=[NH2+])NCC1CC[NH+](Cc2ccc(OC)cc2)CC1	ZINC000303896012	553746811	/nfs/dbraw/zinc/74/68/11/553746811.db2.gz	UCWHGMVIMDYXDI-UHFFFAOYSA-N	2	0	362.518	2.238	20	30		FEEDRP
CCOCCCNC(=[NH2+])NC[C@H]1CCC[N@H+](C)[C@@H]1c1ccc(OC)cc1	ZINC000304757420	553747711	/nfs/dbraw/zinc/74/77/11/553747711.db2.gz	OVPITPQJGBGKJG-IEBWSBKVSA-N	2	0	362.518	2.409	20	30		FEEDRP
C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCC(CCC[NH+]2CCOCC2)CC1	ZINC000506033124	561687827	/nfs/dbraw/zinc/68/78/27/561687827.db2.gz	VGHHXHIENGZRNV-IBGZPJMESA-N	2	0	363.546	2.400	20	30		FEEDRP
CC[NH+]1CCN(c2ccc(CNC(=O)[C@H]3CCC[N@@H+]3C3CC3)cn2)CC1	ZINC000330270959	554097260	/nfs/dbraw/zinc/09/72/60/554097260.db2.gz	VBZYKQAWJICHOW-GOSISDBHSA-N	2	0	357.502	2.307	20	30		FEEDRP
FC(F)OC[C@@H]1CC[NH+](CC#CC[N@H+]2CC[C@@H](COC(F)F)C2)C1	ZINC000512838131	561917348	/nfs/dbraw/zinc/91/73/48/561917348.db2.gz	BKYSENXZCUCVKO-ZIAGYGMSSA-N	2	0	352.372	2.112	20	30		FEEDRP
C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2CC(=O)N(CCC#N)c1ccccc1	ZINC000371292720	557133851	/nfs/dbraw/zinc/13/38/51/557133851.db2.gz	DEYZXXINOJDMGF-VAMGGRTRSA-N	2	0	370.497	2.117	20	30		FEEDRP
C[NH+]1CCC(C#N)(NC(=O)[C@H]2CCC[N@H+](Cc3cccc(F)c3)C2)CC1	ZINC000517345567	562086034	/nfs/dbraw/zinc/08/60/34/562086034.db2.gz	HFKIYCJBBYRJLW-KRWDZBQOSA-N	2	0	358.461	2.142	20	30		FEEDRP
C[C@@H](C(=O)Nc1cccc(C#N)c1)N1CCC(C)(C[NH+]2CCOCC2)CC1	ZINC000378267886	558515584	/nfs/dbraw/zinc/51/55/84/558515584.db2.gz	CTGDNYANIHHRFM-KRWDZBQOSA-N	2	0	370.497	2.320	20	30		FEEDRP
C[C@@H]1[C@H](Nc2nc(N[C@@H]3CCC[N@H+](C)[C@@H]3C)ccc2C#N)CCC[NH+]1C	ZINC000436354612	559940486	/nfs/dbraw/zinc/94/04/86/559940486.db2.gz	CBPGUBDJAMBLQO-JOCBIADPSA-N	2	0	356.518	2.742	20	30		FEEDRP
C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+]C[C@H](O)CC1(C#N)CCOCC1	ZINC000601968585	567889947	/nfs/dbraw/zinc/88/99/47/567889947.db2.gz	OVGPMKKISSOSBZ-HLAWJBBLSA-N	2	0	371.525	2.415	20	30		FEEDRP
CC1CC[NH+](CCCC[NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)CC1	ZINC000583495062	672100186	/nfs/dbraw/zinc/10/01/86/672100186.db2.gz	OXQQNMJCBHLZQV-UHFFFAOYSA-N	2	0	363.527	2.434	20	30		FEEDRP
CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCc1cc(Cl)c2c(c1)OCCO2	ZINC000303778317	673017459	/nfs/dbraw/zinc/01/74/59/673017459.db2.gz	JLUXNUYKNLBFRA-CQSZACIVSA-N	2	0	366.893	2.042	20	30		FEEDRP
CCC(CC)[C@H](CNC(=[NH2+])NCc1ccc(OC)c(OC)c1)[NH+](C)C	ZINC000303784554	673017602	/nfs/dbraw/zinc/01/76/02/673017602.db2.gz	PGQFPYFAKCULGR-INIZCTEOSA-N	2	0	350.507	2.475	20	30		FEEDRP
CC[NH+](CC)CCOc1ccc(CNC(=[NH2+])N2CCSCC2)cc1	ZINC000303910290	673019339	/nfs/dbraw/zinc/01/93/39/673019339.db2.gz	YSVLBIFUFYAYFW-UHFFFAOYSA-N	2	0	350.532	2.271	20	30		FEEDRP
C=CC[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1	ZINC000661118443	678437342	/nfs/dbraw/zinc/43/73/42/678437342.db2.gz	DVNIZHUBITUDIP-QRVBRYPASA-N	2	0	351.535	2.184	20	30		FEEDRP
C[C@@H]1[C@H](C(=O)N2CCCC[C@@H]2C[NH2+]Cc2ccc(C#N)s2)CC[N@@H+]1C	ZINC001024967442	680308456	/nfs/dbraw/zinc/30/84/56/680308456.db2.gz	OVDYQTHTOFSQMD-IIDMSEBBSA-N	2	0	360.527	2.431	20	30		FEEDRP
C[NH+]1CCN(C(C)(C)C[NH2+]Cc2cc(C#N)ccc2Br)CC1	ZINC000921517818	683491269	/nfs/dbraw/zinc/49/12/69/683491269.db2.gz	GZEWWCGNZWEEQM-UHFFFAOYSA-N	2	0	365.319	2.436	20	30		FEEDRP
C[C@H](C[NH2+]Cc1cc(C#N)ccc1Br)CN1CC[NH+](C)CC1	ZINC000921686471	683543085	/nfs/dbraw/zinc/54/30/85/683543085.db2.gz	SOINUUFTFDNIMY-CQSZACIVSA-N	2	0	365.319	2.294	20	30		FEEDRP
CC(C)C[N@H+](C[C@H](O)CC1(C#N)CCOCC1)CC1CC[NH+](C)CC1	ZINC000879703418	686891542	/nfs/dbraw/zinc/89/15/42/686891542.db2.gz	LYBAWEQZHHAFJR-LJQANCHMSA-N	2	0	351.535	2.358	20	30		FEEDRP
N#Cc1cc(Cl)cc(C[N@@H+]2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)c1	ZINC000903446161	690894384	/nfs/dbraw/zinc/89/43/84/690894384.db2.gz	UJEWXPNUOULTNU-RDTXWAMCSA-N	2	0	360.889	2.292	20	30		FEEDRP
C=C(CC[NH+](C)C)C(=O)N(C[C@H](O)CC(C)(C)C)C1CC[NH+](C)CC1	ZINC000907994759	691595057	/nfs/dbraw/zinc/59/50/57/691595057.db2.gz	YSUWXPSBSAHNGL-GOSISDBHSA-N	2	0	353.551	2.214	20	30		FEEDRP
N#Cc1c2c(cnc1N1CC[C@H]3[C@@H]1CC[N@@H+]3Cc1cccnc1)C[NH2+]CCC2	ZINC001164723639	720329923	/nfs/dbraw/zinc/32/99/23/720329923.db2.gz	IHKGSIHGOPRAMG-SFTDATJTSA-N	2	0	374.492	2.237	20	30		FEEDRP
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NCCC[NH+]1CCCC1	ZINC000045121571	540204207	/nfs/dbraw/zinc/20/42/07/540204207.db2.gz	LTQNDTKXMYKLQW-UHFFFAOYSA-N	2	0	357.502	2.117	20	30		FEEDRP
C[C@H](CN1CC[NH+](C)CC1)[NH2+]Cc1cn(CCC#N)nc1-c1ccccc1	ZINC000113339437	543484418	/nfs/dbraw/zinc/48/44/18/543484418.db2.gz	OCJQACPYXSUGAO-GOSISDBHSA-N	2	0	366.513	2.189	20	30		FEEDRP
C[C@@H]1C[NH+](CC2CC[NH+](C[C@@H](O)c3ccc(C#N)cc3)CC2)C[C@@H](C)O1	ZINC000245964705	328581957	/nfs/dbraw/zinc/58/19/57/328581957.db2.gz	DKICVMALNOAQIW-CBGDNZLLSA-N	2	0	357.498	2.413	20	30		FEEDRP
C[NH+]1CCC(C[NH2+]Cc2cnc3ccc(C#N)cn23)(N2CCCCC2)CC1	ZINC000174581618	327335990	/nfs/dbraw/zinc/33/59/90/327335990.db2.gz	YNPQJXIGCOKWOL-UHFFFAOYSA-N	2	0	366.513	2.246	20	30		FEEDRP
C=CCN(CC=C)C(=O)C[NH+]1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1	ZINC000177506425	546632517	/nfs/dbraw/zinc/63/25/17/546632517.db2.gz	GKOXQIRTWJXSHA-RTBURBONSA-N	2	0	363.546	2.398	20	30		FEEDRP
CC[NH+]1CCN([C@@H](C)C[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)CC1	ZINC000180051666	547044097	/nfs/dbraw/zinc/04/40/97/547044097.db2.gz	ANLUKEIWPUBNRV-KRWDZBQOSA-N	2	0	366.513	2.074	20	30		FEEDRP
C=C(C)CN(CC)C(=O)[C@H](C)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1	ZINC000182571830	547515173	/nfs/dbraw/zinc/51/51/73/547515173.db2.gz	APIWIKDRJDTLOB-GURQWTFNSA-N	2	0	362.562	2.042	20	30		FEEDRP
C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)CC1	ZINC000264344631	549994295	/nfs/dbraw/zinc/99/42/95/549994295.db2.gz	WBFMFLWSKOWUFB-HXUWFJFHSA-N	2	0	353.510	2.012	20	30		FEEDRP
C=CCNc1ncc(C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)s1	ZINC000269544164	550205055	/nfs/dbraw/zinc/20/50/55/550205055.db2.gz	QTKALFZZOFWKBK-UHFFFAOYSA-N	2	0	353.536	2.087	20	30		FEEDRP
C=CCS(=O)(=O)CC[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@H]21	ZINC000272793764	550471047	/nfs/dbraw/zinc/47/10/47/550471047.db2.gz	ABMUAAUJZAWETO-XUVXKRRUSA-N	2	0	362.539	2.478	20	30		FEEDRP
CC(C)[C@H](C[NH2+]C1CCN(c2ccc(C#N)cc2)CC1)N1CC[NH+](C)CC1	ZINC000285547521	551773160	/nfs/dbraw/zinc/77/31/60/551773160.db2.gz	GIJKEQRGPHRUAJ-QFIPXVFZSA-N	2	0	369.557	2.389	20	30		FEEDRP
C#CC[NH+]1CCC(C(=O)Nc2ccc(N3CC[NH+](CC)CC3)cc2C)CC1	ZINC000299163971	553523948	/nfs/dbraw/zinc/52/39/48/553523948.db2.gz	SIBUPRKYUDDIRO-UHFFFAOYSA-N	2	0	368.525	2.421	20	30		FEEDRP
CCc1nc(C2CCN(CC(=O)NC3CC[NH+](C4CC4)CC3)CC2)n[nH]1	ZINC000330128535	554070246	/nfs/dbraw/zinc/07/02/46/554070246.db2.gz	NRRBTRLHTWQYGV-UHFFFAOYSA-N	2	0	360.506	2.130	20	30		FEEDRP
COc1cc(C#N)ccc1OCC[NH2+][C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@H]1C	ZINC000368417934	556303182	/nfs/dbraw/zinc/30/31/82/556303182.db2.gz	VFYAHFORLTUCHT-BHIYHBOVSA-N	2	0	373.497	2.425	20	30		FEEDRP
C[NH+](C)C1(CNc2cc(NCC3([NH+](C)C)CC3)c([N+](=O)[O-])cc2C#N)CC1	ZINC000419002593	559425068	/nfs/dbraw/zinc/42/50/68/559425068.db2.gz	CESOSSMHQVMBSS-UHFFFAOYSA-N	2	0	372.473	2.479	20	30		FEEDRP
COc1ccc(C[NH+]2CCC(CNC(=O)[C@@H]([NH3+])CCCC#N)CC2)cc1	ZINC000424156164	559656361	/nfs/dbraw/zinc/65/63/61/559656361.db2.gz	NSQBFXGPYJNOBV-IBGZPJMESA-N	2	0	358.486	2.045	20	30		FEEDRP
Cc1cc(N2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)c(C#N)cn1	ZINC000425217895	559691860	/nfs/dbraw/zinc/69/18/60/559691860.db2.gz	WMLANMRIBFYPQS-UHFFFAOYSA-N	2	0	357.502	2.182	20	30		FEEDRP
C[C@@H](CC1(C#N)CCOCC1)[NH2+]Cc1cccnc1N1CC[NH+](C)CC1	ZINC000602535063	567992129	/nfs/dbraw/zinc/99/21/29/567992129.db2.gz	XIJPNINHWCAGSL-KRWDZBQOSA-N	2	0	357.502	2.022	20	30		FEEDRP
C#CCOc1ccc([C@H](C)[NH2+]C[C@H](N2CC[NH2+]CC2)C(F)(F)F)cc1	ZINC000817971604	675188334	/nfs/dbraw/zinc/18/83/34/675188334.db2.gz	FVQVRCXOFVLPEM-YOEHRIQHSA-N	2	0	355.404	2.185	20	30		FEEDRP
C[NH+]=C(NCC1([NH+](C)C)CCOCC1)N1CCSC2(CCCCC2)C1	ZINC000261770719	672903261	/nfs/dbraw/zinc/90/32/61/672903261.db2.gz	OBQMNLRVAZSMOY-UHFFFAOYSA-N	2	0	368.591	2.424	20	30		FEEDRP
C[NH+]=C(NC[C@]1(C)CCCS1)NCC1([NH+]2CCCC2)CCOCC1	ZINC000261957659	672906163	/nfs/dbraw/zinc/90/61/63/672906163.db2.gz	JGUCKABIRDFSEF-KRWDZBQOSA-N	2	0	354.564	2.082	20	30		FEEDRP
C[NH+]=C(NC[C@H](c1ccsc1)N(C)C)N1CC[C@H]([NH+]2CCCCC2)C1	ZINC000262305344	672913176	/nfs/dbraw/zinc/91/31/76/672913176.db2.gz	AJHZDFJMPYBKMH-ZWKOTPCHSA-N	2	0	363.575	2.486	20	30		FEEDRP
CC[NH+]=C(NCC1(O)CCCCC1)N1CC[C@H](C[NH+]2CCCCC2)C1	ZINC000262820823	672921835	/nfs/dbraw/zinc/92/18/35/672921835.db2.gz	YGNXYWLVNZNCPD-GOSISDBHSA-N	2	0	350.551	2.455	20	30		FEEDRP
CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(OC)c(Br)c1	ZINC000303971311	673019129	/nfs/dbraw/zinc/01/91/29/673019129.db2.gz	DIPLIWOBULFKDA-CYBMUJFWSA-N	2	0	369.307	2.346	20	30		FEEDRP
C#CC[N@H+](C)CCCNC(=O)NC[C@H]1CCC[NH+](C)[C@@H]1c1cccs1	ZINC000836489382	680476035	/nfs/dbraw/zinc/47/60/35/680476035.db2.gz	YWLIBFXLSBIUMH-AEFFLSMTSA-N	2	0	362.543	2.385	20	30		FEEDRP
C[NH+](C)CC1(O)CCN(Cc2ccc(C#N)cc2Br)CC1	ZINC000931482817	684289978	/nfs/dbraw/zinc/28/99/78/684289978.db2.gz	PFGRHJLMXRHWBK-UHFFFAOYSA-N	2	0	352.276	2.209	20	30		FEEDRP
C=C(Cl)C[C@H]([NH3+])C(=O)Nc1ccc(C(=O)NCC[NH+](CC)CC)cc1	ZINC000876707572	686248971	/nfs/dbraw/zinc/24/89/71/686248971.db2.gz	KIIJFLGCIAKFTG-INIZCTEOSA-N	2	0	366.893	2.167	20	30		FEEDRP
C[NH+](C)[C@H](CNC(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21)c1cccs1	ZINC000876710152	686249889	/nfs/dbraw/zinc/24/98/89/686249889.db2.gz	FLAHNLONRGIJOU-AEFFLSMTSA-N	2	0	354.479	2.226	20	30		FEEDRP
C=C(Cl)C[C@H]([NH3+])C(=O)NCCCC[NH+]1CCN(c2ccccc2)CC1	ZINC000876782647	686268417	/nfs/dbraw/zinc/26/84/17/686268417.db2.gz	YAOPDHSYERPPCC-SFHVURJKSA-N	2	0	364.921	2.175	20	30		FEEDRP
C#CC[NH+]1CCC(C(=O)NCC(C)(C)[N@@H+]2CCc3ccccc3C2)CC1	ZINC000057155893	540773710	/nfs/dbraw/zinc/77/37/10/540773710.db2.gz	XVPABJDEYKOPFG-UHFFFAOYSA-N	2	0	353.510	2.285	20	30		FEEDRP
C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)CC(=O)N[C@@](C)(C#N)C1CC1	ZINC000092820949	542888125	/nfs/dbraw/zinc/88/81/25/542888125.db2.gz	OZAHKLVNLVTQDZ-NRFANRHFSA-N	2	0	369.513	2.428	20	30		FEEDRP
N#CCc1ccc(OC[C@H](O)C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1	ZINC000134922628	544327913	/nfs/dbraw/zinc/32/79/13/544327913.db2.gz	HSUNWAAHAZNAGV-SYYKKAFVSA-N	2	0	369.509	2.441	20	30		FEEDRP
C=CCc1ccc(OC[C@@H](O)C[N@H+](C)C[C@@H]2CCC[NH+](C)C2)c(OC)c1	ZINC000152473886	544658577	/nfs/dbraw/zinc/65/85/77/544658577.db2.gz	KOKUIYJYAFEXDS-MOPGFXCFSA-N	2	0	362.514	2.437	20	30		FEEDRP
C[NH+](C)[C@@H]1CCCN(c2ccc(C#N)c(N3CCC[C@H]([NH+](C)C)C3)n2)C1	ZINC000276490704	330157601	/nfs/dbraw/zinc/15/76/01/330157601.db2.gz	PSIWVTJROOADCM-MSOLQXFVSA-N	2	0	356.518	2.014	20	30		FEEDRP
CC[NH+]1CCC(CCNC(=[NH2+])NCCc2ccc(OC)c(OC)c2)CC1	ZINC000178573031	546814401	/nfs/dbraw/zinc/81/44/01/546814401.db2.gz	DPVKQXBFFWYLJA-UHFFFAOYSA-N	2	0	362.518	2.273	20	30		FEEDRP
CCO[C@@H](CC[NH+](C)C)C[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1	ZINC000180285462	547078677	/nfs/dbraw/zinc/07/86/77/547078677.db2.gz	AKTUSNIEWPCCPN-IBGZPJMESA-N	2	0	355.486	2.405	20	30		FEEDRP
C[N@@H+]1CCCN(CCC[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)CC1	ZINC000181704561	547363335	/nfs/dbraw/zinc/36/33/35/547363335.db2.gz	HBFMHLVKUUOXNG-UHFFFAOYSA-N	2	0	369.557	2.140	20	30		FEEDRP
C[NH+](C)C1CCN(CC[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)CC1	ZINC000181856669	547391911	/nfs/dbraw/zinc/39/19/11/547391911.db2.gz	SYOWZRFARHKCLB-UHFFFAOYSA-N	2	0	369.557	2.138	20	30		FEEDRP
N#Cc1ccc(N2CCC[C@@H](N3CC[C@@H](C[NH+]4CCCC4)C3)C2=O)cc1	ZINC000245533024	548940952	/nfs/dbraw/zinc/94/09/52/548940952.db2.gz	UXGSFROGCODYRI-AZUAARDMSA-N	2	0	352.482	2.471	20	30		FEEDRP
C[NH+]=C(N[C@@H]1C[C@@](C)(OC)C1(C)C)NC1CC[NH+](Cc2ccccn2)CC1	ZINC000262371061	549814839	/nfs/dbraw/zinc/81/48/39/549814839.db2.gz	IPHHUVNJXLBMBC-WIYYLYMNSA-N	2	0	373.545	2.415	20	30		FEEDRP
CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1cc(Cl)c2c(c1)OCCCO2	ZINC000263244093	549888689	/nfs/dbraw/zinc/88/86/89/549888689.db2.gz	MDVFZMCBQHKTMS-CQSZACIVSA-N	2	0	366.893	2.390	20	30		FEEDRP
CCc1cccc(NC(=[NH2+])NCc2ccc(N3CC[NH+](C)CC3)nc2)c1	ZINC000264087159	549978139	/nfs/dbraw/zinc/97/81/39/549978139.db2.gz	JYWKBITUDWHTOA-UHFFFAOYSA-N	2	0	352.486	2.323	20	30		FEEDRP
COc1ccc(NC(=[NH2+])NCc2ccc(CN3CC[NH+](C)CC3)cc2)cc1	ZINC000264137711	549983899	/nfs/dbraw/zinc/98/38/99/549983899.db2.gz	VTCUNEGSLFOVMR-UHFFFAOYSA-N	2	0	367.497	2.369	20	30		FEEDRP
C=CC[NH+]1CCC(NC(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)CC1	ZINC000279581750	550905364	/nfs/dbraw/zinc/90/53/64/550905364.db2.gz	QOSVELLRPHPDSS-BGYRXZFFSA-N	2	0	368.525	2.410	20	30		FEEDRP
C#CCNC(=O)CC[N@@H+](CCCn1ccnc1)Cc1ccccc1OCC	ZINC000292677570	552748528	/nfs/dbraw/zinc/74/85/28/552748528.db2.gz	BORRPTZIILSMEG-UHFFFAOYSA-N	2	0	368.481	2.314	20	30		FEEDRP
C#Cc1ccc(CNC(=O)NC2CC[NH+](C3CCN(C)CC3)CC2)cc1	ZINC000296429859	553158389	/nfs/dbraw/zinc/15/83/89/553158389.db2.gz	SSYOUCABMADWEQ-UHFFFAOYSA-N	2	0	354.498	2.026	20	30		FEEDRP
C#CC[N@@H+](C)CCCNC(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1	ZINC000297202156	553263276	/nfs/dbraw/zinc/26/32/76/553263276.db2.gz	CWDLTMHVMXKMFN-UHFFFAOYSA-N	2	0	356.514	2.248	20	30		FEEDRP
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C	ZINC000297523834	553304023	/nfs/dbraw/zinc/30/40/23/553304023.db2.gz	NWHMFGQDNCXUDH-IHWFROFDSA-N	2	0	369.513	2.257	20	30		FEEDRP
O=C(NCc1ccccc1C[N@H+]1CC[C@H](O)C1)[C@@H]1CCn2cncc2C1	ZINC000329474310	553953223	/nfs/dbraw/zinc/95/32/23/553953223.db2.gz	SSVDNCUVIHFMTH-BEFAXECRSA-N	2	0	354.454	2.169	20	30		FEEDRP
C[C@H](c1ccccc1)[NH+]1CC[C@@H](NC(=O)N2CC[N@@H+](C[C@H](C)O)[C@H](C)C2)C1	ZINC000329781431	554004687	/nfs/dbraw/zinc/00/46/87/554004687.db2.gz	NHCWJBCNCLOQHZ-AJYBTWMASA-N	2	0	374.529	2.123	20	30		FEEDRP
CN(CCC#N)C[C@H](O)C[NH2+]C[C@@H]1CCCC[N@H+](Cc2ccccc2)C1	ZINC000517129664	562076655	/nfs/dbraw/zinc/07/66/55/562076655.db2.gz	INIIHLWNCALRQZ-LEWJYISDSA-N	2	0	358.530	2.085	20	30		FEEDRP
C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2CC(=O)N(CCC#N)c1ccccc1	ZINC000371292717	557133864	/nfs/dbraw/zinc/13/38/64/557133864.db2.gz	DEYZXXINOJDMGF-AABGKKOBSA-N	2	0	370.497	2.117	20	30		FEEDRP
COc1ccccc1[C@@H](CNC(=O)[C@@H]([NH3+])CCCC#N)[NH+]1CCCCC1	ZINC000424134848	559655723	/nfs/dbraw/zinc/65/57/23/559655723.db2.gz	ODBSYIXWSDSXGG-ZWKOTPCHSA-N	2	0	358.486	2.360	20	30		FEEDRP
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@H+]1CC	ZINC000437986892	559972613	/nfs/dbraw/zinc/97/26/13/559972613.db2.gz	NSQZRUYYKONAFN-QYZOEREBSA-N	2	0	366.550	2.025	20	30		FEEDRP
COc1cc(C[NH2+]Cc2ccnc(N3CC[NH+](C)CC3)c2)ccc1C#N	ZINC000440827373	560019144	/nfs/dbraw/zinc/01/91/44/560019144.db2.gz	QQMARQFGBQFWIM-UHFFFAOYSA-N	2	0	351.454	2.003	20	30		FEEDRP
C#C[C@@H](NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1ccc(Cl)cc1F	ZINC000820737723	675383680	/nfs/dbraw/zinc/38/36/80/675383680.db2.gz	KAYVQRZKRUMQJN-QGZVFWFLSA-N	2	0	368.884	2.288	20	30		FEEDRP
C=C(C)C[NH+]1CCC(NC(=O)N2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)CC1	ZINC000626970749	676731556	/nfs/dbraw/zinc/73/15/56/676731556.db2.gz	RSPUZGLUQLJFAR-UKRRQHHQSA-N	2	0	362.440	2.196	20	30		FEEDRP
C=CCNc1ncc(C(=O)N(CC[NH+](C)C)C[C@@H]2CCC[N@H+]2CC)s1	ZINC000771005786	681036325	/nfs/dbraw/zinc/03/63/25/681036325.db2.gz	SFCVZLRDJNZIMF-HNNXBMFYSA-N	2	0	365.547	2.229	20	30		FEEDRP
C=C(Cl)C[C@@H]([NH3+])C(=O)Nc1ccc(C(=O)OC2CC[NH2+]CC2)cc1	ZINC000876518193	686214304	/nfs/dbraw/zinc/21/43/04/686214304.db2.gz	CKQRWDLFLWYCMK-OAHLLOKOSA-N	2	0	351.834	2.004	20	30		FEEDRP
N#Cc1ccc(NCC[N@H+]2CC=CCC2)nc1NCC[NH+]1CC=CCC1	ZINC000530378215	539956825	/nfs/dbraw/zinc/95/68/25/539956825.db2.gz	BMAJVZPIVIVOEJ-UHFFFAOYSA-N	2	0	352.486	2.301	20	30		FEEDRP
COc1ccc(CCNC(=[NH2+])NC[C@H]2CC[N@H+](CC(C)C)C2)cc1OC	ZINC000134120244	544295169	/nfs/dbraw/zinc/29/51/69/544295169.db2.gz	DCBDRQHSKJEHIH-QGZVFWFLSA-N	2	0	362.518	2.129	20	30		FEEDRP
C=CC[NH+]1CCC(NC(=O)N[C@@H]2CC[N@@H+](CCCOCC)C[C@H]2C)CC1	ZINC000172150870	546238453	/nfs/dbraw/zinc/23/84/53/546238453.db2.gz	VCKNWDFDYSHDAV-IEBWSBKVSA-N	2	0	366.550	2.073	20	30		FEEDRP
C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H](C)C1	ZINC000249757889	549625980	/nfs/dbraw/zinc/62/59/80/549625980.db2.gz	LHHKGTVHQRNXOF-DLBZAZTESA-N	2	0	372.513	2.408	20	30		FEEDRP
COc1cc(C[NH2+]Cc2ccccc2C[N@@H+]2CC[C@@H](O)C2)ccc1C#N	ZINC000281458225	551099950	/nfs/dbraw/zinc/09/99/50/551099950.db2.gz	ARSMTWZBSIYPDM-HXUWFJFHSA-N	2	0	351.450	2.423	20	30		FEEDRP
N#C[C@@]1(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CC12CCCC2	ZINC000294619786	552921085	/nfs/dbraw/zinc/92/10/85/552921085.db2.gz	RMLHYOFWGSNYCP-OAQYLSRUSA-N	2	0	367.497	2.184	20	30		FEEDRP
C[C@H]1C[N@H+](CCCOc2ccc(C#N)cc2)CC[C@@H]1N1CC[NH+](C)CC1	ZINC000362703292	554982172	/nfs/dbraw/zinc/98/21/72/554982172.db2.gz	PYRIJDXNMAHCTJ-RXVVDRJESA-N	2	0	356.514	2.285	20	30		FEEDRP
C[N@H+](CCC(=O)Nc1ccccc1C#N)C1CC[NH+](C2CCOCC2)CC1	ZINC000363480985	555116456	/nfs/dbraw/zinc/11/64/56/555116456.db2.gz	FXNHBLIHXBPQGH-UHFFFAOYSA-N	2	0	370.497	2.462	20	30		FEEDRP
CCCC[C@H](ON=C(C)C)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1	ZINC000363870690	555203263	/nfs/dbraw/zinc/20/32/63/555203263.db2.gz	WYDBHHZLGWEEMZ-AEFFLSMTSA-N	2	0	352.523	2.242	20	30		FEEDRP
C(#CCN1CCC([NH+]2CCCC2)CC1)CN1CCC([NH+]2CCCC2)CC1	ZINC000364962419	555451293	/nfs/dbraw/zinc/45/12/93/555451293.db2.gz	XRWAHWCAMWXJEX-UHFFFAOYSA-N	2	0	358.574	2.110	20	30		FEEDRP
C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCC(CC[NH+]2CCOCC2)CC1	ZINC000513819221	561951056	/nfs/dbraw/zinc/95/10/56/561951056.db2.gz	RYCFLUIINQYBAR-GOSISDBHSA-N	2	0	351.535	2.234	20	30		FEEDRP
C=CCN(CCN1CC[NH2+]CC1)Cc1cc(Br)ccc1F	ZINC000514603460	561969283	/nfs/dbraw/zinc/96/92/83/561969283.db2.gz	NEUFRWJQFVXVIY-UHFFFAOYSA-N	2	0	356.283	2.481	20	30		FEEDRP
C=CC[NH+](CC=C)[C@H](CNC(=O)[C@]1([NH3+])[C@H]2CCCO[C@H]2C1(C)C)C(C)C	ZINC000372567405	557507100	/nfs/dbraw/zinc/50/71/00/557507100.db2.gz	FVMVVSQRDVJCAI-XKGFGPFHSA-N	2	0	363.546	2.334	20	30		FEEDRP
COc1cccc([C@@H]2[C@@H](NC(=O)[C@@H]([NH3+])CCCC#N)CC[N@@H+]2C2CC2)c1	ZINC000424177940	559656681	/nfs/dbraw/zinc/65/66/81/559656681.db2.gz	VNHYXVXBFZTGNS-GBESFXJTSA-N	2	0	356.470	2.110	20	30		FEEDRP
CC[NH+]1CCN(c2ccc(C[NH2+]Cc3ccc(C#N)c(OC)c3)cn2)CC1	ZINC000440826029	560019150	/nfs/dbraw/zinc/01/91/50/560019150.db2.gz	LRSFYERZDFURIR-UHFFFAOYSA-N	2	0	365.481	2.394	20	30		FEEDRP
CC(=O)N1CCC[N@H+](C[C@H]2CCCN(Cc3cc(C#N)ccc3F)C2)CC1	ZINC000451541692	560313321	/nfs/dbraw/zinc/31/33/21/560313321.db2.gz	ZWQKAHBKUOWABO-LJQANCHMSA-N	2	0	372.488	2.464	20	30		FEEDRP
C=CC[NH+]1CCC(NC(=O)N(CC[NH+](C)C)Cc2ccsc2)CC1	ZINC000458330996	560615446	/nfs/dbraw/zinc/61/54/46/560615446.db2.gz	HFFLHRYJPSPAOF-UHFFFAOYSA-N	2	0	350.532	2.472	20	30		FEEDRP
C[C@H](C(=O)NC1(C#N)CCC1)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000469605148	560959427	/nfs/dbraw/zinc/95/94/27/560959427.db2.gz	PRKUPYYMXUTGSA-MJGOQNOKSA-N	2	0	354.498	2.391	20	30		FEEDRP
C[C@@H](CC1(C#N)CCOCC1)[NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1	ZINC000602709266	568018571	/nfs/dbraw/zinc/01/85/71/568018571.db2.gz	JCWHBMPMHQJUNF-FXAWDEMLSA-N	2	0	357.498	2.442	20	30		FEEDRP
CC(C)C[N@@H+]1CCC[C@H](CNCCS(=O)(=O)c2cccc(C#N)c2)C1	ZINC000570955799	568254162	/nfs/dbraw/zinc/25/41/62/568254162.db2.gz	HWQMXJXFDBQOTF-GOSISDBHSA-N	2	0	363.527	2.290	20	30		FEEDRP
CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCc1ccc(Br)s1	ZINC000303774348	673017674	/nfs/dbraw/zinc/01/76/74/673017674.db2.gz	FVTXGSGXXFJLDS-LLVKDONJSA-N	2	0	359.337	2.442	20	30		FEEDRP
CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCOc1ccc(Br)cc1	ZINC000303975642	673018928	/nfs/dbraw/zinc/01/89/28/673018928.db2.gz	JGTBHKQCSFZSNG-AWEZNQCLSA-N	2	0	369.307	2.217	20	30		FEEDRP
CC(C)CCC[C@H](C)NC(=[NH2+])NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C	ZINC000303975525	673019253	/nfs/dbraw/zinc/01/92/53/673019253.db2.gz	JDIZHDBQOONTCR-IRXDYDNUSA-N	2	0	353.555	2.048	20	30		FEEDRP
CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCC1([NH+]2CCSCC2)CCCCC1	ZINC000304762918	673020692	/nfs/dbraw/zinc/02/06/92/673020692.db2.gz	WEZZARFFMYQGJD-KRWDZBQOSA-N	3	0	367.607	2.127	20	30		FEEDRP
C=CCC1([NH2+]CC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)CCCCC1	ZINC000625937774	676679076	/nfs/dbraw/zinc/67/90/76/676679076.db2.gz	SZYVEMHZWCLDNP-GOSISDBHSA-N	2	0	351.535	2.328	20	30		FEEDRP
C=C(Br)C[NH2+][C@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1(C)C	ZINC000995828430	680305125	/nfs/dbraw/zinc/30/51/25/680305125.db2.gz	XZCGOLRXEJSXJP-MCIONIFRSA-N	2	0	358.324	2.062	20	30		FEEDRP
CC[C@@H]1[C@@H](C(=O)N2CCC([NH2+]Cc3ccc(C#N)s3)CC2)CC[N@@H+]1C	ZINC000996603404	680336653	/nfs/dbraw/zinc/33/66/53/680336653.db2.gz	LKDLEHKDFCGANL-ZWKOTPCHSA-N	2	0	360.527	2.431	20	30		FEEDRP
C#CC[NH+]1CCC(NC(=O)NC[C@@H](c2ccc(Cl)cc2)[NH+](C)C)CC1	ZINC000921175082	683403335	/nfs/dbraw/zinc/40/33/35/683403335.db2.gz	VFAKXNIAAOCLJN-SFHVURJKSA-N	2	0	362.905	2.340	20	30		FEEDRP
C[N@@H+]1CCCN(CCC[NH2+]Cc2cc(C#N)ccc2Br)CC1	ZINC000921689479	683543981	/nfs/dbraw/zinc/54/39/81/683543981.db2.gz	DQDRKWRVASVMKW-UHFFFAOYSA-N	2	0	365.319	2.438	20	30		FEEDRP
C=C(CC[NH+](C)C)C(=O)N(C[C@@H](O)CC(C)(C)C)C1CC[NH+](C)CC1	ZINC000907994760	691595010	/nfs/dbraw/zinc/59/50/10/691595010.db2.gz	YSUWXPSBSAHNGL-SFHVURJKSA-N	2	0	353.551	2.214	20	30		FEEDRP
C=CCc1ccccc1OC[C@H](O)C[NH+]1CCC(C[NH+]2CCOCC2)CC1	ZINC000076682647	542311871	/nfs/dbraw/zinc/31/18/71/542311871.db2.gz	ZIEQAGBEHKEIRS-OAQYLSRUSA-N	2	0	374.525	2.199	20	30		FEEDRP
C[NH+](C)CCNC(=O)c1cccc(CNC(=[NH2+])NC2CCCCCC2)c1	ZINC000092277849	542853292	/nfs/dbraw/zinc/85/32/92/542853292.db2.gz	ISMJFAZFHXDQOO-UHFFFAOYSA-N	2	0	359.518	2.105	20	30		FEEDRP
CC(C)Oc1ccc(C#N)cc1NC(=O)N(CC[NH+](C)C)CC[NH+](C)C	ZINC000119961876	543674112	/nfs/dbraw/zinc/67/41/12/543674112.db2.gz	KDFDOLWKCLVNIQ-UHFFFAOYSA-N	2	0	361.490	2.303	20	30		FEEDRP
C#CC[NH+]1CCC(C(=O)NC[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)CC1	ZINC000131785127	544206751	/nfs/dbraw/zinc/20/67/51/544206751.db2.gz	PCAVEAPZMFUTDJ-AZUAARDMSA-N	2	0	353.510	2.358	20	30		FEEDRP
CC(C)[NH+]1CCN(C2CC[NH+](CCOc3cccc(C#N)c3)CC2)CC1	ZINC000270942859	329647540	/nfs/dbraw/zinc/64/75/40/329647540.db2.gz	RRMKGJOWJXPVHW-UHFFFAOYSA-N	2	0	356.514	2.427	20	30		FEEDRP
C=CCc1ccc(OC[C@H](O)C[N@H+](C)C[C@H]2CCC[NH+](C)C2)c(OC)c1	ZINC000246857356	549229594	/nfs/dbraw/zinc/22/95/94/549229594.db2.gz	KOKUIYJYAFEXDS-RBUKOAKNSA-N	2	0	362.514	2.437	20	30		FEEDRP
C[C@H](NC(=[NH2+])NC[C@H]1C[N@H+](C)CCN1C)c1ccc(Cl)cc1Cl	ZINC000267446775	550031898	/nfs/dbraw/zinc/03/18/98/550031898.db2.gz	QHDKJYRPZYUASP-AAEUAGOBSA-N	2	0	358.317	2.205	20	30		FEEDRP
N#CCc1cccc(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)c1	ZINC000299596524	553586280	/nfs/dbraw/zinc/58/62/80/553586280.db2.gz	URIAIRCALWAXCU-UHFFFAOYSA-N	2	0	363.465	2.090	20	30		FEEDRP
CCOCCCNC(=[NH2+])NC[C@@H]1CCC[N@H+](C)[C@H]1c1ccc(OC)cc1	ZINC000304757419	553747656	/nfs/dbraw/zinc/74/76/56/553747656.db2.gz	OVPITPQJGBGKJG-HKUYNNGSSA-N	2	0	362.518	2.409	20	30		FEEDRP
C[C@@H]1C[N@@H+](CC2CCN(CC(=O)N[C@](C)(C#N)C3CC3)CC2)C[C@H](C)O1	ZINC000328737539	553814669	/nfs/dbraw/zinc/81/46/69/553814669.db2.gz	HBZBFGSVEJROEK-GQIGUUNPSA-N	2	0	362.518	2.456	20	30		FEEDRP
C[C@@H]1[C@H]([N@H+](C)CCO)CCN1C(=O)NC1CC[NH+](C2CCCCC2)CC1	ZINC000330193740	554082275	/nfs/dbraw/zinc/08/22/75/554082275.db2.gz	OJKDLUMEDTVYQD-VQIMIIECSA-N	2	0	366.550	2.084	20	30		FEEDRP
C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]CCC(=O)Nc1ccc(C#N)cc1	ZINC000368417478	556302559	/nfs/dbraw/zinc/30/25/59/556302559.db2.gz	SHMGIPAJOXIXEV-UXPWSPDFSA-N	2	0	370.497	2.366	20	30		FEEDRP
C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCC[C@@H]4O[C@H](CC#N)C[C@@H]43)cn2)CC1	ZINC000373223029	557653063	/nfs/dbraw/zinc/65/30/63/557653063.db2.gz	GBQIIJBCNZGLQZ-WTGUMLROSA-N	2	0	369.513	2.163	20	30		FEEDRP
C=CCOc1ccc(C[NH2+]C2CCN(CCN3CCOCC3)CC2)cc1	ZINC000375861190	558090097	/nfs/dbraw/zinc/09/00/97/558090097.db2.gz	LZGGDZKROIRTJW-UHFFFAOYSA-N	2	0	359.514	2.138	20	30		FEEDRP
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CCCC[C@@H]1C[NH3+]	ZINC000418436129	559401450	/nfs/dbraw/zinc/40/14/50/559401450.db2.gz	WTFZBQKYJDKNPU-MOPGFXCFSA-N	2	0	357.502	2.149	20	30		FEEDRP
C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CCCN(C2CC[NH+](CC)CC2)CC1	ZINC000420979332	559516591	/nfs/dbraw/zinc/51/65/91/559516591.db2.gz	KKMYAWGHRULHAF-LJQANCHMSA-N	2	0	364.578	2.292	20	30		FEEDRP
C=CCC(C)(C)CNC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1	ZINC000432074847	559851464	/nfs/dbraw/zinc/85/14/64/559851464.db2.gz	HYKABRQFGXWISZ-UHFFFAOYSA-N	2	0	359.518	2.495	20	30		FEEDRP
CC[NH+](CC)CCO[C@H]1CCN([C@H](C(=O)OC)c2cccc(C#N)c2)C1	ZINC000435023546	559914491	/nfs/dbraw/zinc/91/44/91/559914491.db2.gz	LLOVSJWQEWDEPC-OALUTQOASA-N	2	0	359.470	2.205	20	30		FEEDRP
C[C@H]([NH2+][C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C)c1ccc(C#N)cc1	ZINC000540789196	562593183	/nfs/dbraw/zinc/59/31/83/562593183.db2.gz	RXBLAVGQMBIVMS-UWJYYQICSA-N	2	0	364.493	2.498	20	30		FEEDRP
C[NH+]=C(NCC1([NH+]2CCCC2)CCOCC1)N[C@@H]1CCC[C@@H](SC)C1	ZINC000086538042	670684708	/nfs/dbraw/zinc/68/47/08/670684708.db2.gz	UJTWVIMNJUYSCU-IAGOWNOFSA-N	2	0	368.591	2.471	20	30		FEEDRP
C[NH+]=C(NCC(C)(C)[NH+]1CCC(OC)CC1)N1CCSC(C)(C)C1	ZINC000262022013	672908020	/nfs/dbraw/zinc/90/80/20/672908020.db2.gz	WGJSZETXTUCIQV-UHFFFAOYSA-N	2	0	356.580	2.279	20	30		FEEDRP
C[NH+]=C(N[C@@H]1[C@@H]2CCCO[C@H]2C1(C)C)NC1CC[NH+](CC(C)C)CC1	ZINC000262413084	672914970	/nfs/dbraw/zinc/91/49/70/672914970.db2.gz	PPYQOSKGHUBYDU-RCCFBDPRSA-N	2	0	350.551	2.475	20	30		FEEDRP
CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCCC(=O)Nc1ccc(Cl)cc1	ZINC000303899139	673018432	/nfs/dbraw/zinc/01/84/32/673018432.db2.gz	VZOKCUDALREWJH-INIZCTEOSA-N	2	0	365.909	2.447	20	30		FEEDRP
CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CCC[NH+](Cc2cccs2)C1	ZINC000303906359	673018883	/nfs/dbraw/zinc/01/88/83/673018883.db2.gz	ZXJGRDKBFHWBPL-IAGOWNOFSA-N	3	0	363.575	2.349	20	30		FEEDRP
Cc1nc([C@H](C)NC(=O)N(C)CC[N@H+](C)C2CCN(C)CC2)cs1	ZINC000329395893	673076586	/nfs/dbraw/zinc/07/65/86/673076586.db2.gz	UFJFSKSNHWYSLZ-ZDUSSCGKSA-N	2	0	353.536	2.384	20	30		FEEDRP
C[C@@H]1[C@H](C(=O)N2CC[C@@H](C[NH+](C)Cc3ccc(C#N)s3)C2)CC[N@@H+]1C	ZINC001029742524	680391352	/nfs/dbraw/zinc/39/13/52/680391352.db2.gz	VTTDGKAAFWDYOR-RVKKMQEKSA-N	2	0	360.527	2.240	20	30		FEEDRP
C=C(Cl)C[C@@H]([NH3+])C(=O)NC1CC[NH+](CCOc2ccc(F)cc2)CC1	ZINC000876768455	686265007	/nfs/dbraw/zinc/26/50/07/686265007.db2.gz	ITTFPTMPONSYAO-QGZVFWFLSA-N	2	0	369.868	2.255	20	30		FEEDRP
C#CC[NH+]1CCC(C(=O)Nc2ccc(CN3CC[NH+](CC)CC3)cc2)CC1	ZINC000057170960	540775009	/nfs/dbraw/zinc/77/50/09/540775009.db2.gz	XVMIATPXDWEUOP-UHFFFAOYSA-N	2	0	368.525	2.108	20	30		FEEDRP
C#CC[NH+]1CCC(C(=O)Nc2ccccc2N2CC[NH+](CC)CC2)CC1	ZINC000067143434	541424017	/nfs/dbraw/zinc/42/40/17/541424017.db2.gz	MMLUWESEFSTMRD-UHFFFAOYSA-N	2	0	354.498	2.112	20	30		FEEDRP
CC1CC[NH+](CCNC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)CC1	ZINC000127037207	543969486	/nfs/dbraw/zinc/96/94/86/543969486.db2.gz	BBUWEEGBZZQCFD-UHFFFAOYSA-N	2	0	371.529	2.363	20	30		FEEDRP
CCOCCOCc1cccc(CNC(=[NH2+])NC[C@@H]2CCC[N@@H+]2CC)c1	ZINC000264124044	549982214	/nfs/dbraw/zinc/98/22/14/549982214.db2.gz	VXYNCZBALQXQIO-IBGZPJMESA-N	2	0	362.518	2.128	20	30		FEEDRP
Cc1ccc(NC(=[NH2+])NCc2ccnc(N3CC[NH+](C)CC3)c2)cc1C	ZINC000264142323	549984432	/nfs/dbraw/zinc/98/44/32/549984432.db2.gz	WXZQTRGMNOGYQT-UHFFFAOYSA-N	2	0	352.486	2.377	20	30		FEEDRP
C#CC[NH+]1CCC(C(=O)N[C@H](C[NH+]2CCCC2)c2ccc(OC)cc2)CC1	ZINC000272693636	550465656	/nfs/dbraw/zinc/46/56/56/550465656.db2.gz	UVQVEGFVQQSLPW-OAQYLSRUSA-N	2	0	369.509	2.294	20	30		FEEDRP
C=CCS(=O)(=O)CC[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21	ZINC000272793757	550471118	/nfs/dbraw/zinc/47/11/18/550471118.db2.gz	ABMUAAUJZAWETO-SLFFLAALSA-N	2	0	362.539	2.478	20	30		FEEDRP
CCn1ccnc1CNC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1	ZINC000298549575	553439128	/nfs/dbraw/zinc/43/91/28/553439128.db2.gz	XXIOMUQBQJMKCG-UHFFFAOYSA-N	2	0	366.469	2.192	20	30		FEEDRP
CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1cc(C)c(C#N)cn1	ZINC000603123314	553713041	/nfs/dbraw/zinc/71/30/41/553713041.db2.gz	VHEATYNNCXPMGS-QGZVFWFLSA-N	2	0	358.490	2.142	20	30		FEEDRP
C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCC(CCC[NH+]2CCOCC2)CC1	ZINC000506033125	561687960	/nfs/dbraw/zinc/68/79/60/561687960.db2.gz	VGHHXHIENGZRNV-LJQANCHMSA-N	2	0	363.546	2.400	20	30		FEEDRP
C[C@@H]1C[C@H](Nc2ccc(C#N)c(N[C@H]3CC[NH+](C)[C@@H](C)C3)n2)CC[N@@H+]1C	ZINC000333047619	554564506	/nfs/dbraw/zinc/56/45/06/554564506.db2.gz	KSALMUADTRWUDU-ATLSCFEFSA-N	2	0	356.518	2.742	20	30		FEEDRP
CN1CCC([N@@H+]2CC[C@@H](NC(=O)c3ccc(C4(C#N)CC4)cc3)C2)CC1	ZINC000360604095	554881658	/nfs/dbraw/zinc/88/16/58/554881658.db2.gz	INQGLACRDGTNFE-GOSISDBHSA-N	2	0	352.482	2.140	20	30		FEEDRP
COc1ccc([C@@H](CCC#N)[NH2+][C@H]2CCN(CCN3CCOCC3)C2)cc1	ZINC000365732732	555653917	/nfs/dbraw/zinc/65/39/17/555653917.db2.gz	GDRWUBMPRJWEIG-PZJWPPBQSA-N	2	0	372.513	2.036	20	30		FEEDRP
CC(C)[C@](C)(C#N)NC(=O)CN1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1	ZINC000368243848	556257219	/nfs/dbraw/zinc/25/72/19/556257219.db2.gz	QTLXUAXIPXZROV-ONTIZHBOSA-N	2	0	368.525	2.495	20	30		FEEDRP
COc1cc(C#N)ccc1OCC[NH2+][C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@H]1C	ZINC000368417935	556302967	/nfs/dbraw/zinc/30/29/67/556302967.db2.gz	VFYAHFORLTUCHT-NZSAHSFTSA-N	2	0	373.497	2.425	20	30		FEEDRP
C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCC(N2CC[NH+](CCC)CC2)CC1	ZINC000369154342	556518722	/nfs/dbraw/zinc/51/87/22/556518722.db2.gz	HQSYTAQKNZHLPQ-IBGZPJMESA-N	2	0	362.562	2.068	20	30		FEEDRP
C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCC(N2CC[NH+](C(C)C)CC2)CC1	ZINC000371344613	557153840	/nfs/dbraw/zinc/15/38/40/557153840.db2.gz	MFOBTKSNFMQBFT-LJQANCHMSA-N	2	0	362.562	2.066	20	30		FEEDRP
C[C@H](C(=O)NC1(C#N)CCC1)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1	ZINC000519235130	562127755	/nfs/dbraw/zinc/12/77/55/562127755.db2.gz	YLIQVPNHVPVVII-MISYRCLQSA-N	2	0	366.509	2.391	20	30		FEEDRP
C(#CCN1CCC[C@@H]1C[NH+]1CCCC1)CN1CCC[C@@H]1C[NH+]1CCCC1	ZINC000375385649	558018806	/nfs/dbraw/zinc/01/88/06/558018806.db2.gz	AMORFKHRJJPLCW-FGZHOGPDSA-N	2	0	358.574	2.110	20	30		FEEDRP
C=C(C)C[NH+]1CCC(NC(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)CC1	ZINC000412033449	559004675	/nfs/dbraw/zinc/00/46/75/559004675.db2.gz	FDMPVFVLKBVNSW-GOSISDBHSA-N	2	0	351.560	2.361	20	30		FEEDRP
C[C@@H]([NH2+][C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C)c1cccc(C#N)c1	ZINC000540788203	562593148	/nfs/dbraw/zinc/59/31/48/562593148.db2.gz	ASOBKJTXIVINDO-UTKZUKDTSA-N	2	0	364.493	2.498	20	30		FEEDRP
CC[NH+]=C(NC[C@@H](O)C1CCCCC1)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C	ZINC000262764759	672920394	/nfs/dbraw/zinc/92/03/94/672920394.db2.gz	FRAJAJQHLXCTCK-XVLXNVKGSA-N	2	0	350.551	2.498	20	30		FEEDRP
CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1cc(F)cc(Br)c1	ZINC000303904466	673019100	/nfs/dbraw/zinc/01/91/00/673019100.db2.gz	YTZOYXXZXAYDAY-CQSZACIVSA-N	2	0	357.271	2.477	20	30		FEEDRP
C#CC[N@@H+](C)CCCNC(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C	ZINC000836488144	680475768	/nfs/dbraw/zinc/47/57/68/680475768.db2.gz	HGJAFIJRINVNQT-QGZVFWFLSA-N	2	0	350.894	2.197	20	30		FEEDRP
C=C(Cl)C[C@H]([NH3+])C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cn1	ZINC000876785226	686268390	/nfs/dbraw/zinc/26/83/90/686268390.db2.gz	RBCBUUGEBPTPQE-HNNXBMFYSA-N	2	0	351.882	2.020	20	30		FEEDRP
C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H](C[NH+]1CCCC1)c1ccc(OC)cc1	ZINC000876904441	686291562	/nfs/dbraw/zinc/29/15/62/686291562.db2.gz	YZVVDZAOAHKANK-IRXDYDNUSA-N	2	0	351.878	2.418	20	30		FEEDRP
C[NH+]1CCN(Cc2ccc(C[NH2+]Cc3cnc4ccc(C#N)cn34)cc2)CC1	ZINC000123384646	543758898	/nfs/dbraw/zinc/75/88/98/543758898.db2.gz	AMSQTLGNNKXSLE-UHFFFAOYSA-N	2	0	374.492	2.243	20	30		FEEDRP
C[NH+](C)CCN(CC[NH+](C)C)C(=O)Nc1cc(C#N)ccc1OC(F)F	ZINC000131833271	544208769	/nfs/dbraw/zinc/20/87/69/544208769.db2.gz	KKAWOTSCIHOWBI-UHFFFAOYSA-N	2	0	369.416	2.117	20	30		FEEDRP
CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCc1ccc(C#N)cc1	ZINC000173793993	327284655	/nfs/dbraw/zinc/28/46/55/327284655.db2.gz	OZNKSMROTICFMI-LJQANCHMSA-N	2	0	357.502	2.116	20	30		FEEDRP
CC(C)[NH+]1CCN(C2CC[NH+](CCOc3ccccc3C#N)CC2)CC1	ZINC000270966889	329649879	/nfs/dbraw/zinc/64/98/79/329649879.db2.gz	VQTYOXXJGMXFCU-UHFFFAOYSA-N	2	0	356.514	2.427	20	30		FEEDRP
COc1ccc(CNC(=[NH2+])NC[C@H]2CCC[N@H+](CC(C)C)C2)cc1OC	ZINC000157388530	545736210	/nfs/dbraw/zinc/73/62/10/545736210.db2.gz	AZDJMVPGIQFFCF-QGZVFWFLSA-N	2	0	362.518	2.476	20	30		FEEDRP
CC[NH+]1CCN(CCC[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)CC1	ZINC000181491409	547323484	/nfs/dbraw/zinc/32/34/84/547323484.db2.gz	XTKDQBFIOOUBAI-UHFFFAOYSA-N	2	0	369.557	2.140	20	30		FEEDRP
C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1[NH2+]CCC(=O)N(C)CCC#N	ZINC000189948274	548313745	/nfs/dbraw/zinc/31/37/45/548313745.db2.gz	NBRNFQIJMFRVKR-ROUUACIJSA-N	2	0	356.514	2.495	20	30		FEEDRP
C[NH+]=C(NCC(=O)N1CCCc2ccccc21)NC1CC[NH+](C(C)C)CC1	ZINC000262291369	549807043	/nfs/dbraw/zinc/80/70/43/549807043.db2.gz	YNEQVJMLTSIHNX-UHFFFAOYSA-N	2	0	371.529	2.004	20	30		FEEDRP
CCNC(NCc1cccc(OCC[N@H+](C)C2CCOCC2)c1)=[NH+]CC	ZINC000264157995	549986258	/nfs/dbraw/zinc/98/62/58/549986258.db2.gz	ARBCGALJWVYVRB-UHFFFAOYSA-N	2	0	362.518	2.251	20	30		FEEDRP
CC[NH+]1CCN(C[C@H](C)C[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)CC1	ZINC000285535199	551770991	/nfs/dbraw/zinc/77/09/91/551770991.db2.gz	BVMITLQGINOETE-LJQANCHMSA-N	2	0	369.557	2.390	20	30		FEEDRP
C[C@@H]1CN(C(=O)Nc2ccc(F)cc2C#N)CCN1C1CC[NH+](C)CC1	ZINC000367444269	556050590	/nfs/dbraw/zinc/05/05/90/556050590.db2.gz	AUUZBQQGDNSUHJ-CQSZACIVSA-N	2	0	359.449	2.330	20	30		FEEDRP
CC(C)[NH+]1CCN(CCC[N@@H+]2CCCN(c3ccc(C#N)cc3)CC2)CC1	ZINC000369198182	556533531	/nfs/dbraw/zinc/53/35/31/556533531.db2.gz	NBZBJLVFKNAILV-UHFFFAOYSA-N	2	0	369.557	2.486	20	30		FEEDRP
C[C@@H](NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)[C@H]1CCC[NH2+]C1	ZINC000516856938	562060783	/nfs/dbraw/zinc/06/07/83/562060783.db2.gz	IMBUGGINHLXDAP-XLIONFOSSA-N	2	0	369.513	2.164	20	30		FEEDRP
C[C@H]1C[N@H+](Cc2ccc(N(C)CCC#N)cc2)CC[C@@H]1N1CC[NH+](C)CC1	ZINC000370695706	556942614	/nfs/dbraw/zinc/94/26/14/556942614.db2.gz	CKRJLLVLAFXEOZ-UGKGYDQZSA-N	2	0	369.557	2.494	20	30		FEEDRP
C=C(C)C[NH+]1CCC(NC(=O)NCC(C)(C)[NH+]2CCC(OC)CC2)CC1	ZINC000517393239	562088551	/nfs/dbraw/zinc/08/85/51/562088551.db2.gz	JTXCTWXYCBEZDD-UHFFFAOYSA-N	2	0	366.550	2.216	20	30		FEEDRP
COCC1(C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)CC[NH2+]CC1	ZINC000423413339	559628257	/nfs/dbraw/zinc/62/82/57/559628257.db2.gz	YXEIVVRMRLUNOW-UHFFFAOYSA-N	2	0	356.514	2.128	20	30		FEEDRP
C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2CCC(=O)Nc1cccc(C#N)c1	ZINC000441250367	560027167	/nfs/dbraw/zinc/02/71/67/560027167.db2.gz	QIQXFDWTIHSMKZ-GUDVDZBRSA-N	2	0	356.470	2.070	20	30		FEEDRP
CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCC1CCC(C#N)CC1	ZINC000442732438	560055501	/nfs/dbraw/zinc/05/55/01/560055501.db2.gz	YJPXKBIOQGALJG-CTWPCTMYSA-N	2	0	363.550	2.374	20	30		FEEDRP
CC(=O)N1CCC[N@H+](C[C@H]2CCCN(Cc3cccc(C#N)c3)C2)CC1	ZINC000449495530	560231757	/nfs/dbraw/zinc/23/17/57/560231757.db2.gz	HWLSIPCRLISLQU-OAQYLSRUSA-N	2	0	354.498	2.324	20	30		FEEDRP
N#Cc1ccccc1OC[C@H](O)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1	ZINC000528424272	562328555	/nfs/dbraw/zinc/32/85/55/562328555.db2.gz	LMOZKXPQZOUHCH-MISYRCLQSA-N	2	0	355.482	2.247	20	30		FEEDRP
[NH2+]=C(NCc1ccc(OC(F)(F)F)cc1)NC[C@H]1CC[N@@H+](C2CC2)C1	ZINC000176967038	672378275	/nfs/dbraw/zinc/37/82/75/672378275.db2.gz	LBTOUNOHXOYWSX-CYBMUJFWSA-N	2	0	356.392	2.474	20	30		FEEDRP
Cc1cc(C(F)(F)F)ccc1CNC(=[NH2+])NCCCN1CCOCC1	ZINC000191732582	672674349	/nfs/dbraw/zinc/67/43/49/672674349.db2.gz	KYGHSXQZRDUABS-UHFFFAOYSA-N	2	0	358.408	2.140	20	30		FEEDRP
C[NH+]=C(NC[C@@H]1CCOC1)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1	ZINC000261678176	672901301	/nfs/dbraw/zinc/90/13/01/672901301.db2.gz	BRZQPFPKQPPDMP-YQQAZPJKSA-N	2	0	350.532	2.333	20	30		FEEDRP
C[NH+]=C(NC[C@H](c1ccsc1)N(C)C)N1CC[C@@H]([NH+]2CCCCC2)C1	ZINC000262305342	672913131	/nfs/dbraw/zinc/91/31/31/672913131.db2.gz	AJHZDFJMPYBKMH-QZTJIDSGSA-N	2	0	363.575	2.486	20	30		FEEDRP
CC[NH+](CC)C[C@@H]1CCN(C(N[C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)=[NH+]C)C1	ZINC000262388179	672914793	/nfs/dbraw/zinc/91/47/93/672914793.db2.gz	LSALLIBZQNWTPG-WNRNVDISSA-N	2	0	350.551	2.429	20	30		FEEDRP
COCC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])Nc1ccc(OC(F)(F)F)cc1	ZINC000303979228	673019579	/nfs/dbraw/zinc/01/95/79/673019579.db2.gz	MXUCMFWXFQRBGJ-CYBMUJFWSA-N	2	0	360.380	2.423	20	30		FEEDRP
Cc1nc([C@@H](C)NC(=O)N(C)CC[N@H+](C)C2CCN(C)CC2)cs1	ZINC000329395884	673076736	/nfs/dbraw/zinc/07/67/36/673076736.db2.gz	UFJFSKSNHWYSLZ-CYBMUJFWSA-N	2	0	353.536	2.384	20	30		FEEDRP
C=C(Cl)C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1	ZINC000999196096	680398784	/nfs/dbraw/zinc/39/87/84/680398784.db2.gz	WHTFYCSSAMGTLI-KSZLIROESA-N	2	0	369.937	2.066	20	30		FEEDRP
C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@@H](c1cccc(OC)c1)[NH+]1CCCC1	ZINC000876709280	686249945	/nfs/dbraw/zinc/24/99/45/686249945.db2.gz	NYODVIVEZBDYDY-IRXDYDNUSA-N	2	0	351.878	2.418	20	30		FEEDRP
C=C(Cl)C[C@@H]([NH3+])C(=O)Nc1ccc(N2CC[NH+](CC)CC2)c(F)c1	ZINC000877265760	686346257	/nfs/dbraw/zinc/34/62/57/686346257.db2.gz	IVGOODGVSAQGES-OAHLLOKOSA-N	2	0	354.857	2.376	20	30		FEEDRP
N#C[C@@H]1C[NH2+]CC12CC(C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1)C2	ZINC000884178789	687809217	/nfs/dbraw/zinc/80/92/17/687809217.db2.gz	UYBODCGZRCIXPI-BWRBCVJASA-N	2	0	358.511	2.141	20	30		FEEDRP
C#CC[NH+]1CCC(C(=O)NC[C@@H](Cc2ccccc2)[NH+](CC)CC)CC1	ZINC000050029276	540397591	/nfs/dbraw/zinc/39/75/91/540397591.db2.gz	NDYQRJVRDXNEAZ-OAQYLSRUSA-N	2	0	355.526	2.401	20	30		FEEDRP
C#CC[NH+]1CCC(C(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)CC1	ZINC000057176779	540776298	/nfs/dbraw/zinc/77/62/98/540776298.db2.gz	CDRYTTLAROFNFW-UHFFFAOYSA-N	2	0	357.473	2.252	20	30		FEEDRP
C#CC[NH+]1CCC(C(=O)NC[C@H](c2ccc(OC)cc2)[NH+]2CCCC2)CC1	ZINC000057126631	540769933	/nfs/dbraw/zinc/76/99/33/540769933.db2.gz	GIFLXFYENLQIHT-OAQYLSRUSA-N	2	0	369.509	2.294	20	30		FEEDRP
CCC[NH+]1CCN(c2ccccc2C[NH2+]C2CCN(CC#N)CC2)CC1	ZINC000088717143	542755640	/nfs/dbraw/zinc/75/56/40/542755640.db2.gz	VUNITSPGENSJMF-UHFFFAOYSA-N	2	0	355.530	2.296	20	30		FEEDRP
C[NH+]1CCN(c2ccc(CNC(=[NH2+])Nc3ccc4c(c3)CCC4)cn2)CC1	ZINC000104159427	543125359	/nfs/dbraw/zinc/12/53/59/543125359.db2.gz	LXJOQUWMXWUHFB-UHFFFAOYSA-N	2	0	364.497	2.249	20	30		FEEDRP
C#CCOc1ccc(C[NH2+]Cc2ccc(C(=O)NCC[NH+](C)C)cc2)cc1	ZINC000123861128	543787591	/nfs/dbraw/zinc/78/75/91/543787591.db2.gz	MMCPUNRWYFGBSJ-UHFFFAOYSA-N	2	0	365.477	2.280	20	30		FEEDRP
CC[N@H+](CCC(=O)N(C)CCC#N)CC1CCN(c2ccccn2)CC1	ZINC000131740401	544204816	/nfs/dbraw/zinc/20/48/16/544204816.db2.gz	YZXDNZBGSHXDMN-UHFFFAOYSA-N	2	0	357.502	2.382	20	30		FEEDRP
COc1ccc(C[NH2+]CCCN2CCN(c3cc[nH+]cc3)CC2)cc1C#N	ZINC000266208196	329200690	/nfs/dbraw/zinc/20/06/90/329200690.db2.gz	NFNPEKJLKKYAAQ-UHFFFAOYSA-N	2	0	365.481	2.264	20	30		FEEDRP
C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1	ZINC000268170403	329392975	/nfs/dbraw/zinc/39/29/75/329392975.db2.gz	QMKZAXZEYAZGLK-OXQOHEQNSA-N	2	0	369.513	2.114	20	30		FEEDRP
C=CC[NH+]1CCC(NC(=O)N(CC[NH+](C)C)Cc2cccc(OC)c2)CC1	ZINC000188692515	548286111	/nfs/dbraw/zinc/28/61/11/548286111.db2.gz	HGJDWVJZUCOHOR-UHFFFAOYSA-N	2	0	374.529	2.419	20	30		FEEDRP
N#CCc1ccc(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)cc1	ZINC000270229246	550255082	/nfs/dbraw/zinc/25/50/82/550255082.db2.gz	AHJFXEPEWIYZBP-UHFFFAOYSA-N	2	0	363.465	2.090	20	30		FEEDRP
[NH2+]=C(NCc1ccc(CNC(=[NH2+])NC2CCCC2)cc1)NC1CCCC1	ZINC000274141939	550525056	/nfs/dbraw/zinc/52/50/56/550525056.db2.gz	ALADGJXIANMQKZ-UHFFFAOYSA-N	2	0	356.518	2.380	20	30		FEEDRP
C[NH+](C)C1CCN(CC[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)CC1	ZINC000286212718	551861992	/nfs/dbraw/zinc/86/19/92/551861992.db2.gz	SCLQAWFZTZUNBU-UHFFFAOYSA-N	2	0	355.530	2.143	20	30		FEEDRP
C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)N2CC[NH+](CC(C)(C)O)CC2)C1	ZINC000329892508	554025602	/nfs/dbraw/zinc/02/56/02/554025602.db2.gz	AASGGCWAKRABOL-MJGOQNOKSA-N	2	0	374.529	2.124	20	30		FEEDRP
C#CCC[NH+]1CCC(NC(=O)C2CCN(c3cc[nH+]cc3C)CC2)CC1	ZINC000363299435	555073516	/nfs/dbraw/zinc/07/35/16/555073516.db2.gz	PZWQKELHZQXCIJ-UHFFFAOYSA-N	2	0	354.498	2.210	20	30		FEEDRP
CN1CC[NH+](CC2(C)CC[NH+](CCOc3cccc(C#N)c3)CC2)CC1	ZINC000368330768	556280202	/nfs/dbraw/zinc/28/02/02/556280202.db2.gz	HKQANPOCZQCUEW-UHFFFAOYSA-N	2	0	356.514	2.287	20	30		FEEDRP
C(#CCN1CCC[C@H]([NH+]2CCCC2)C1)CN1CCC[C@@H]([NH+]2CCCC2)C1	ZINC000370469032	556881694	/nfs/dbraw/zinc/88/16/94/556881694.db2.gz	LMJHIEBHJFBRFX-SZPZYZBQSA-N	2	0	358.574	2.110	20	30		FEEDRP
CC[NH+](CC)C[C@H](C)NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1	ZINC000519975004	562148354	/nfs/dbraw/zinc/14/83/54/562148354.db2.gz	QLEZJODYFWHOQN-KRWDZBQOSA-N	2	0	359.518	2.362	20	30		FEEDRP
C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)NCc1ccc(C#N)s1	ZINC000422214098	559571808	/nfs/dbraw/zinc/57/18/08/559571808.db2.gz	GUMPSYPDJRIFCC-UHFFFAOYSA-N	2	0	351.520	2.035	20	30		FEEDRP
C#CCOc1ccc([C@@H](C)[NH2+]C[C@@H](N2CC[NH2+]CC2)C(F)(F)F)cc1	ZINC000817971600	675188370	/nfs/dbraw/zinc/18/83/70/675188370.db2.gz	FVQVRCXOFVLPEM-RHSMWYFYSA-N	2	0	355.404	2.185	20	30		FEEDRP
N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F	ZINC000591580698	672691763	/nfs/dbraw/zinc/69/17/63/672691763.db2.gz	NKZADKGPCFCTNL-DLBZAZTESA-N	2	0	352.404	2.361	20	30		FEEDRP
C[NH+]=C(NC[C@@H]1CCCO[C@@H]1C(C)(C)C)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C	ZINC000261996538	672907312	/nfs/dbraw/zinc/90/73/12/672907312.db2.gz	SPLHIPZVZJBSHC-ATLSCFEFSA-N	2	0	350.551	2.475	20	30		FEEDRP
COc1ccc(CCNC(=[NH2+])NC[C@@H](CC(C)C)[NH+](C)C)cc1OC	ZINC000303774827	673017298	/nfs/dbraw/zinc/01/72/98/673017298.db2.gz	GEQZEFZXAYODRS-MRXNPFEDSA-N	2	0	350.507	2.127	20	30		FEEDRP
C=C(Br)C[NH2+]C1CC(N(C)C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1	ZINC000998794296	680389729	/nfs/dbraw/zinc/38/97/29/680389729.db2.gz	OXOOBPHTTLZTBU-PFSRBDOWSA-N	2	0	358.324	2.204	20	30		FEEDRP
CC(=NNC(=S)NCCC[NH+](C)C)[C@@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000779777957	681752261	/nfs/dbraw/zinc/75/22/61/681752261.db2.gz	XLIVXWUELQDCMJ-GOSISDBHSA-N	2	0	361.559	2.300	20	30		FEEDRP
CC[NH+]1CCN(CCC[NH2+]Cc2cc(C#N)ccc2Br)CC1	ZINC000921526283	683492897	/nfs/dbraw/zinc/49/28/97/683492897.db2.gz	FZVSQWADEGXYGN-UHFFFAOYSA-N	2	0	365.319	2.438	20	30		FEEDRP
C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@H](c1ccccc1OC)[NH+]1CCCC1	ZINC000876711291	686250457	/nfs/dbraw/zinc/25/04/57/686250457.db2.gz	WABNLDLVSGBMID-HZPDHXFCSA-N	2	0	351.878	2.418	20	30		FEEDRP
C=C(Cl)C[C@H]([NH3+])C(=O)NCc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1	ZINC000876719813	686252603	/nfs/dbraw/zinc/25/26/03/686252603.db2.gz	WEMOIUDNWXEEGZ-RKVPGOIHSA-N	2	0	365.905	2.382	20	30		FEEDRP
C=C(Cl)C[C@@H]([NH3+])C(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCOCC1	ZINC000876766463	686263874	/nfs/dbraw/zinc/26/38/74/686263874.db2.gz	KSMUZCMMFSLQTH-DOTOQJQBSA-N	2	0	365.905	2.473	20	30		FEEDRP
C#CC[NH+]1CCC(C(=O)NC[C@H](c2ccccc2OC)[NH+]2CCCC2)CC1	ZINC000050024296	540397208	/nfs/dbraw/zinc/39/72/08/540397208.db2.gz	BSPLMPAIFWMTAW-HXUWFJFHSA-N	2	0	369.509	2.294	20	30		FEEDRP
C#CC[NH+]1CCC(C(=O)NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1	ZINC000067361160	541449441	/nfs/dbraw/zinc/44/94/41/541449441.db2.gz	CAUOKNLCTOUQBS-HXUWFJFHSA-N	2	0	353.510	2.360	20	30		FEEDRP
CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCC#Cc1ccccc1	ZINC000073571511	541968830	/nfs/dbraw/zinc/96/88/30/541968830.db2.gz	ZJKUIFCEDZZZEL-HXUWFJFHSA-N	2	0	356.514	2.096	20	30		FEEDRP
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NCCC1CC[NH+](C)CC1	ZINC000103320626	543103517	/nfs/dbraw/zinc/10/35/17/543103517.db2.gz	MPUKMIQXZQYKGE-UHFFFAOYSA-N	2	0	371.529	2.363	20	30		FEEDRP
C[C@H](CNC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)[N@H+](C)C1CC1	ZINC000105267619	543167177	/nfs/dbraw/zinc/16/71/77/543167177.db2.gz	ZIKVDFLVVJWCGT-MRXNPFEDSA-N	2	0	357.502	2.114	20	30		FEEDRP
C[C@@H](CNC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)[NH+](C)C1CC1	ZINC000105266108	543167401	/nfs/dbraw/zinc/16/74/01/543167401.db2.gz	ZMBMRJXHLYRCFH-KRWDZBQOSA-N	2	0	369.513	2.258	20	30		FEEDRP
C=CC[NH+]1CCC(NC(=O)N[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)CC1	ZINC000124467488	543823572	/nfs/dbraw/zinc/82/35/72/543823572.db2.gz	VMCGXOOGSQPKNF-XLIONFOSSA-N	2	0	356.514	2.457	20	30		FEEDRP
C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)C1CC[NH+](C2CC2)CC1	ZINC000192538342	328324643	/nfs/dbraw/zinc/32/46/43/328324643.db2.gz	GYTQIBODRBKESN-UHFFFAOYSA-N	2	0	354.498	2.323	20	30		FEEDRP
COc1ccccc1CNC(=[NH2+])NCc1ccccc1OCC[NH+](C)C	ZINC000170911473	546181435	/nfs/dbraw/zinc/18/14/35/546181435.db2.gz	PWIUZRMPRHASDO-UHFFFAOYSA-N	2	0	356.470	2.240	20	30		FEEDRP
C=CC[NH+]1CCC(NC(=O)N[C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)CC1	ZINC000172185614	546240174	/nfs/dbraw/zinc/24/01/74/546240174.db2.gz	BQHRZZPTDXAIGO-PXNSSMCTSA-N	2	0	371.529	2.242	20	30		FEEDRP
C[NH+]=C(NCc1nc(-c2ccccc2)c[nH]1)N[C@H]1C[N@@H+](C2CC2)C[C@@H]1C	ZINC000261937888	549771924	/nfs/dbraw/zinc/77/19/24/549771924.db2.gz	CXTMPBOQQRLEOP-KSSFIOAISA-N	2	0	352.486	2.224	20	30		FEEDRP
C[NH+]=C(NC[C@@H](O)c1cc(Cl)cc(Cl)c1)NC[C@H]1CC[N@H+](C)C1	ZINC000261950787	549773806	/nfs/dbraw/zinc/77/38/06/549773806.db2.gz	NYNCDFHPBUXHTD-IAQYHMDHSA-N	2	0	359.301	2.144	20	30		FEEDRP
C[NH+]=C(NCc1cn2c(n1)CCCC2)N1CC[C@@H](C)[C@H](n2ccnc2)C1	ZINC000262014482	549779347	/nfs/dbraw/zinc/77/93/47/549779347.db2.gz	XKYQYUQAVIWUGO-NVXWUHKLSA-N	2	0	355.490	2.074	20	30		FEEDRP
[NH2+]=C(NCc1cn2ccccc2n1)NC1CC[NH+](Cc2ccccc2)CC1	ZINC000263277424	549891566	/nfs/dbraw/zinc/89/15/66/549891566.db2.gz	YWKQTCPFFHYZFH-UHFFFAOYSA-N	2	0	362.481	2.403	20	30		FEEDRP
C#CC[NH+]1CCC(C(=O)N[C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1	ZINC000272300377	550435684	/nfs/dbraw/zinc/43/56/84/550435684.db2.gz	POOYRJOBGWFPSW-GHTZIAJQSA-N	2	0	353.510	2.358	20	30		FEEDRP
N#Cc1ccc(N2CCC([NH2+]C3CC[NH+]([C@H]4CCC[C@H]4O)CC3)CC2)cc1	ZINC000286096602	551848271	/nfs/dbraw/zinc/84/82/71/551848271.db2.gz	MIQLYVFKMZVUBN-FCHUYYIVSA-N	2	0	368.525	2.494	20	30		FEEDRP
C#CC[NH+](C)CCCNC(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000296948883	553233769	/nfs/dbraw/zinc/23/37/69/553233769.db2.gz	QBMNVKQALSDCMU-HXUWFJFHSA-N	2	0	356.514	2.105	20	30		FEEDRP
CN1CC[C@H]([NH+]2CCC(NC(=O)[C@H]3CCC[N@@H+]3C3CCCC3)CC2)C1=O	ZINC000329200689	553901039	/nfs/dbraw/zinc/90/10/39/553901039.db2.gz	WJFBPCDLNGUUES-MSOLQXFVSA-N	2	0	362.518	2.045	20	30		FEEDRP
C[C@@H]1CCCC[N@@H+]1CCC(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CC(=O)N(C)C	ZINC000329218397	553905025	/nfs/dbraw/zinc/90/50/25/553905025.db2.gz	RRZDBGRYLUJIQM-CSNJMZFVSA-N	2	0	364.534	2.291	20	30		FEEDRP
N#Cc1cc([N+](=O)[O-])ccc1NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1	ZINC000514213502	561964009	/nfs/dbraw/zinc/96/40/09/561964009.db2.gz	GXTBHRDISQGHMP-UHFFFAOYSA-N	2	0	366.425	2.486	20	30		FEEDRP
C[NH+]1CCCC12CCN(CC#CCN1CCC3(CCC[N@H+]3C)CC1)CC2	ZINC000367463019	556057108	/nfs/dbraw/zinc/05/71/08/556057108.db2.gz	JLOVIDGKPWWWBI-UHFFFAOYSA-N	2	0	358.574	2.110	20	30		FEEDRP
COc1ccc(C#N)cc1C[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1	ZINC000368223372	556252246	/nfs/dbraw/zinc/25/22/46/556252246.db2.gz	UJFPTLLREYTSOZ-UHFFFAOYSA-N	2	0	356.514	2.416	20	30		FEEDRP
C=CCOc1cccc(C[NH2+]CC2(N3CCOCC3)CC[NH+](C)CC2)c1	ZINC000414490816	559168327	/nfs/dbraw/zinc/16/83/27/559168327.db2.gz	YAPSAQKFCSQPOB-UHFFFAOYSA-N	2	0	359.514	2.138	20	30		FEEDRP
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NC[C@@H]1CCC[C@H]([NH3+])C1	ZINC000418712642	559412059	/nfs/dbraw/zinc/41/20/59/559412059.db2.gz	GQKAQESKETVGJW-MOPGFXCFSA-N	2	0	357.502	2.149	20	30		FEEDRP
C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CCCN(C2CC[NH+](CC)CC2)CC1	ZINC000420979327	559516379	/nfs/dbraw/zinc/51/63/79/559516379.db2.gz	KKMYAWGHRULHAF-IBGZPJMESA-N	2	0	364.578	2.292	20	30		FEEDRP
CC[NH+]1CCC(N2CCC[N@H+](CCOc3ccc(C#N)cc3)CC2)CC1	ZINC000421016800	559519620	/nfs/dbraw/zinc/51/96/20/559519620.db2.gz	VCSDCWHYCUHVLH-UHFFFAOYSA-N	2	0	356.514	2.429	20	30		FEEDRP
N#Cc1ccc(C[NH2+]CCCN2CCN(c3cc[nH+]cc3)CC2)cc1F	ZINC000421327380	559539207	/nfs/dbraw/zinc/53/92/07/559539207.db2.gz	PVWZMDULCNHUDN-UHFFFAOYSA-N	2	0	353.445	2.394	20	30		FEEDRP
CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCc1ccc(C#N)s1	ZINC000422211520	559571720	/nfs/dbraw/zinc/57/17/20/559571720.db2.gz	DBGNZZSNRXOJOK-HNNXBMFYSA-N	2	0	363.531	2.177	20	30		FEEDRP
COc1ccc([C@@H](CNC(=O)[C@H]([NH3+])CCCC#N)[NH+]2CCCCC2)cc1	ZINC000424144376	559656086	/nfs/dbraw/zinc/65/60/86/559656086.db2.gz	XJRKGJSRVGYNOD-RTBURBONSA-N	2	0	358.486	2.360	20	30		FEEDRP
CC[NH+](CC)CCO[C@H]1CCN([C@@H](C(=O)OC)c2cccc(C#N)c2)C1	ZINC000435023547	559914599	/nfs/dbraw/zinc/91/45/99/559914599.db2.gz	LLOVSJWQEWDEPC-RBUKOAKNSA-N	2	0	359.470	2.205	20	30		FEEDRP
C=C[C@@H]1OCCC[C@H]1[NH2+]CC(=O)N1CCC[N@@H+](Cc2ccc(C)cc2)CC1	ZINC000451669419	560321029	/nfs/dbraw/zinc/32/10/29/560321029.db2.gz	ASLSVOAZRPWYBU-RTWAWAEBSA-N	2	0	371.525	2.353	20	30		FEEDRP
C=C(C)C[NH+]1CCC(NC(=O)N2CC[C@@H](OCC[NH+](CC)CC)C2)CC1	ZINC000473004834	561040183	/nfs/dbraw/zinc/04/01/83/561040183.db2.gz	XUGZKJKCGOHQJA-LJQANCHMSA-N	2	0	366.550	2.169	20	30		FEEDRP
CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc(C#N)cc(N(C)C)c1	ZINC000550008523	562641921	/nfs/dbraw/zinc/64/19/21/562641921.db2.gz	BPJGWIVRSJZBNL-LJQANCHMSA-N	2	0	371.529	2.112	20	30		FEEDRP
CC(C)C[N@@H+]1CCC[C@@H](CNCCS(=O)(=O)c2ccc(C#N)cc2)C1	ZINC000569595108	568409049	/nfs/dbraw/zinc/40/90/49/568409049.db2.gz	FONNMWKIGBBNBP-SFHVURJKSA-N	2	0	363.527	2.290	20	30		FEEDRP
CC[NH+]=C(NC[C@@H]1CCC[N@@H+]1CC1CCCCC1)N1CCC(O)CC1	ZINC000086834396	670684526	/nfs/dbraw/zinc/68/45/26/670684526.db2.gz	NBIMHNOFTBUTJG-SFHVURJKSA-N	2	0	350.551	2.453	20	30		FEEDRP
[NH2+]=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)N1CCN(c2ccc(Cl)cc2)CC1	ZINC000261984854	672907103	/nfs/dbraw/zinc/90/71/03/672907103.db2.gz	JMTIMFLKEMZTTO-HNNXBMFYSA-N	2	0	361.921	2.261	20	30		FEEDRP
CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCc1ccc(Br)s1	ZINC000303774351	673017579	/nfs/dbraw/zinc/01/75/79/673017579.db2.gz	FVTXGSGXXFJLDS-NSHDSACASA-N	2	0	359.337	2.442	20	30		FEEDRP
CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CCC[NH+](Cc2cccs2)C1	ZINC000303906356	673019023	/nfs/dbraw/zinc/01/90/23/673019023.db2.gz	ZXJGRDKBFHWBPL-DLBZAZTESA-N	3	0	363.575	2.349	20	30		FEEDRP
C#C[C@H](NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1ccc(Cl)cc1	ZINC000820572499	675371672	/nfs/dbraw/zinc/37/16/72/675371672.db2.gz	HHGOSERPOAZESV-KRWDZBQOSA-N	2	0	350.894	2.149	20	30		FEEDRP
CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]2C[NH2+]Cc2ccc(C#N)s2)CC[N@@H+]1C	ZINC001034941480	680441295	/nfs/dbraw/zinc/44/12/95/680441295.db2.gz	QZGCFQQLCJKMJL-FHLIZLRMSA-N	2	0	360.527	2.431	20	30		FEEDRP
C[N@@H+]1CC[C@@H]2C[NH+](CCC(=O)Nc3sc4c(c3C#N)CCC4)C[C@@H]2C1	ZINC000931441125	684283508	/nfs/dbraw/zinc/28/35/08/684283508.db2.gz	OFMZKHDBHOIHBN-KGLIPLIRSA-N	2	0	358.511	2.321	20	30		FEEDRP
C=C(Cl)C[C@@H]([NH3+])C(=O)NCC1CC[NH+](Cc2ccc(OC)cc2)CC1	ZINC000876738516	686257642	/nfs/dbraw/zinc/25/76/42/686257642.db2.gz	FSWUQOGMPASHFV-GOSISDBHSA-N	2	0	365.905	2.493	20	30		FEEDRP
C=C(Cl)C[C@H]([NH3+])C(=O)NCC1CC[NH+](Cc2ccc(OC)cc2)CC1	ZINC000876738517	686257837	/nfs/dbraw/zinc/25/78/37/686257837.db2.gz	FSWUQOGMPASHFV-SFHVURJKSA-N	2	0	365.905	2.493	20	30		FEEDRP
C=CC[NH+]1CCC(Nc2nc(C)nc(NC3CC[NH+](CC=C)CC3)n2)CC1	ZINC000480045980	887157330	/nfs/dbraw/zinc/15/73/30/887157330.db2.gz	UQIJFBBOHGXUAW-UHFFFAOYSA-N	2	0	371.533	2.305	20	30		FEEDRP
C#CC[NH+]1CCC(C(=O)NC2CC[NH+](Cc3ccccc3C)CC2)CC1	ZINC000057174312	540775737	/nfs/dbraw/zinc/77/57/37/540775737.db2.gz	XTOTXTLCJRZZKB-UHFFFAOYSA-N	2	0	353.510	2.421	20	30		FEEDRP
C#CC[NH+]1CCC(C(=O)N2CCC[N@@H+](Cc3ccccc3)C[C@H]2C)CC1	ZINC000076389798	542272328	/nfs/dbraw/zinc/27/23/28/542272328.db2.gz	JEKFFQYYXLCNQA-LJQANCHMSA-N	2	0	353.510	2.455	20	30		FEEDRP
C=C(C)C[NH+]1CCC(NC(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)CC1	ZINC000106334215	543224023	/nfs/dbraw/zinc/22/40/23/543224023.db2.gz	SWFHLDFBGNNERX-HXUWFJFHSA-N	2	0	358.530	2.499	20	30		FEEDRP
C[C@@H]1C[C@@H](NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)C[N@@H+]1C1CC1	ZINC000129864652	544129911	/nfs/dbraw/zinc/12/99/11/544129911.db2.gz	UIDFPNKIGVIRDB-VQIMIIECSA-N	2	0	369.513	2.257	20	30		FEEDRP
C=C(C)CN1CCC([NH2+][C@@H](C)c2ccc(S(=O)(=O)NC)cc2)CC1	ZINC000153046843	544727346	/nfs/dbraw/zinc/72/73/46/544727346.db2.gz	NAUBFGDNDJAAHK-HNNXBMFYSA-N	2	0	351.516	2.286	20	30		FEEDRP
C[C@@H]1C[N@@H+](CC2CC[NH+](C[C@H](O)c3ccc(C#N)cc3)CC2)C[C@H](C)O1	ZINC000156031150	545593533	/nfs/dbraw/zinc/59/35/33/545593533.db2.gz	DKICVMALNOAQIW-FVJLSDCUSA-N	2	0	357.498	2.413	20	30		FEEDRP
C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1	ZINC000158868292	545902026	/nfs/dbraw/zinc/90/20/26/545902026.db2.gz	FLSJFAHDOGXALV-SJORKVTESA-N	2	0	364.534	2.363	20	30		FEEDRP
C=CC[NH+]1CCC(NC(=O)NCc2ccc(OCCC[NH+](C)C)cc2)CC1	ZINC000171734055	546222386	/nfs/dbraw/zinc/22/23/86/546222386.db2.gz	IEFDDCKTQYPCRP-UHFFFAOYSA-N	2	0	374.529	2.467	20	30		FEEDRP
CCN(CCC#N)C(=O)CNC1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C	ZINC000189955498	548315381	/nfs/dbraw/zinc/31/53/81/548315381.db2.gz	AWMMNZZDUBSOII-HTZLVSCSSA-N	2	0	356.514	2.495	20	30		FEEDRP
C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)CC1	ZINC000267272723	550029265	/nfs/dbraw/zinc/02/92/65/550029265.db2.gz	ARIQPXWYALIDMC-WIYYLYMNSA-N	2	0	353.510	2.358	20	30		FEEDRP
[NH2+]=C(NCCCCCCNC(=[NH2+])Nc1ccccn1)Nc1ccccn1	ZINC000274249690	550529814	/nfs/dbraw/zinc/52/98/14/550529814.db2.gz	YHGSPFTXKONWAY-UHFFFAOYSA-N	2	0	354.462	2.190	20	30		FEEDRP
CC[NH+]1CCN(C[C@@H](C)C[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)CC1	ZINC000285535197	551770993	/nfs/dbraw/zinc/77/09/93/551770993.db2.gz	BVMITLQGINOETE-IBGZPJMESA-N	2	0	369.557	2.390	20	30		FEEDRP
C=CCc1ccc(OC[C@H](O)CN2CC[C@]3(CC[N@H+](C)C3)C2)c(OC)c1	ZINC000292147859	552698454	/nfs/dbraw/zinc/69/84/54/552698454.db2.gz	NEANFMYYSNLOKG-NQIIRXRSSA-N	2	0	360.498	2.191	20	30		FEEDRP
CC[N@@H+]1CC[C@H](N(C)CC(=O)N[C@H](C)C(=O)N2CCCCC2)C[C@@H]1C	ZINC000329606081	553975531	/nfs/dbraw/zinc/97/55/31/553975531.db2.gz	ZQDYPSMDSSWAKG-BBWFWOEESA-N	2	0	352.523	2.149	20	30		FEEDRP
CC(C)[N@@H+]1CCCN(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)CC1	ZINC000330210280	554085614	/nfs/dbraw/zinc/08/56/14/554085614.db2.gz	CGGLIPKSGUUXQY-RTBURBONSA-N	2	0	366.550	2.084	20	30		FEEDRP
CC(C)[C@](C)(C#N)NC(=O)CN1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1	ZINC000368243849	556257311	/nfs/dbraw/zinc/25/73/11/556257311.db2.gz	QTLXUAXIPXZROV-SJBKTWHCSA-N	2	0	368.525	2.495	20	30		FEEDRP
C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2CC(=O)N(CCC#N)c1ccccc1	ZINC000371292719	557133955	/nfs/dbraw/zinc/13/39/55/557133955.db2.gz	DEYZXXINOJDMGF-HSALFYBXSA-N	2	0	370.497	2.117	20	30		FEEDRP
C[NH+](C)CCOc1cc(C[NH2+][C@@H]2CCC[C@@H]3O[C@@H](CC#N)C[C@H]32)ccn1	ZINC000371510113	557204642	/nfs/dbraw/zinc/20/46/42/557204642.db2.gz	RROGVBLZCQENSM-OKYOBFRVSA-N	2	0	358.486	2.351	20	30		FEEDRP
C=CC[NH+]1CCC(NC(=O)N(C)C[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)CC1	ZINC000373547637	557715956	/nfs/dbraw/zinc/71/59/56/557715956.db2.gz	VJXBGVSVKOXZSA-ICSRJNTNSA-N	2	0	371.529	2.366	20	30		FEEDRP
C=CCOc1ccc(C[NH2+]C[C@H](N2CC[NH2+]CC2)C(F)(F)F)cc1OC	ZINC000414988741	559199132	/nfs/dbraw/zinc/19/91/32/559199132.db2.gz	PXWVQYYGBHMAOI-KRWDZBQOSA-N	2	0	373.419	2.186	20	30		FEEDRP
CC1=CC[N@H+](CCNC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)CC1	ZINC000460222110	560738288	/nfs/dbraw/zinc/73/82/88/560738288.db2.gz	RBIYFHZXHYJHPF-UHFFFAOYSA-N	2	0	369.513	2.283	20	30		FEEDRP
C[C@@H](CC1(C#N)CCOCC1)[NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1	ZINC000602513129	567989382	/nfs/dbraw/zinc/98/93/82/567989382.db2.gz	CUYGQDFSKIRBRG-KRWDZBQOSA-N	2	0	357.502	2.022	20	30		FEEDRP
C[C@@H](C(=O)NC1(C#N)CCCCC1)N1CCCN(c2cc[nH+]cc2)CC1	ZINC000602845391	568000062	/nfs/dbraw/zinc/00/00/62/568000062.db2.gz	JIXQUEFXCBDRRZ-KRWDZBQOSA-N	2	0	355.486	2.325	20	30		FEEDRP
C[C@H](CC1(C#N)CCOCC1)[NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1	ZINC000602709272	568018589	/nfs/dbraw/zinc/01/85/89/568018589.db2.gz	JCWHBMPMHQJUNF-XLIONFOSSA-N	2	0	357.498	2.442	20	30		FEEDRP
COc1c[nH+]ccc1N1CCN(CCC(=O)Nc2sccc2C#N)CC1	ZINC000569758985	568421403	/nfs/dbraw/zinc/42/14/03/568421403.db2.gz	GVSCDJFHNLOUGI-UHFFFAOYSA-N	2	0	371.466	2.174	20	30		FEEDRP
C#CC[NH+]1CCC(C(=O)NC[C@@H](C[NH+](C)C)c2ccc(Cl)cc2)CC1	ZINC000808113984	674441774	/nfs/dbraw/zinc/44/17/74/674441774.db2.gz	NJVZFFHBNBNOOV-SFHVURJKSA-N	2	0	361.917	2.447	20	30		FEEDRP
C[NH+]=C(NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1)N1CC[C@]2(CCOC2)C1	ZINC000261930818	672905356	/nfs/dbraw/zinc/90/53/56/672905356.db2.gz	BHXNOUGMELSVOF-QKLQHJQFSA-N	2	0	350.551	2.431	20	30		FEEDRP
C[NH+]=C(NC[C@@H]1CCCO[C@@H]1C(C)(C)C)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C	ZINC000261996551	672907215	/nfs/dbraw/zinc/90/72/15/672907215.db2.gz	SPLHIPZVZJBSHC-ONIAQPFYSA-N	2	0	350.551	2.475	20	30		FEEDRP
CC[NH+]=C(NC[C@@]1(O)CCSC1)NC1CC[NH+](C2CCCCC2)CC1	ZINC000262409786	672914977	/nfs/dbraw/zinc/91/49/77/672914977.db2.gz	PDFFRFQCNWUCPM-IBGZPJMESA-N	2	0	368.591	2.207	20	30		FEEDRP
C[NH+]=C(NC[C@@H]1CCCO1)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1	ZINC000262441876	672916021	/nfs/dbraw/zinc/91/60/21/672916021.db2.gz	UTEIRFRVUAHDSC-YQQAZPJKSA-N	2	0	350.532	2.475	20	30		FEEDRP
CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCC#Cc1cccc(C(F)(F)F)c1	ZINC000304761683	673020648	/nfs/dbraw/zinc/02/06/48/673020648.db2.gz	USTRHVNNMZOCMM-MRXNPFEDSA-N	2	0	352.404	2.446	20	30		FEEDRP
C=CC[NH+](CC=C)[C@H](CNC(=S)NCC1CC[NH+](C)CC1)C(C)C	ZINC000760466270	680688505	/nfs/dbraw/zinc/68/85/05/680688505.db2.gz	DLHXHMKVXLKUQL-GOSISDBHSA-N	2	0	352.592	2.491	20	30		FEEDRP
C[C@@H]1[C@H](C(=O)NC2(C)CC[NH+](Cc3ccc(C#N)s3)CC2)CC[N@@H+]1C	ZINC001045445013	680630204	/nfs/dbraw/zinc/63/02/04/680630204.db2.gz	OSMVWXKLXBDRDX-RHSMWYFYSA-N	2	0	360.527	2.431	20	30		FEEDRP