smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[NH+]1CCC(N2CCC(NC(=O)Cc3ccc(C#N)cc3)CC2)CC1	ZINC000194883569	139001919	/nfs/dbraw/zinc/00/19/19/139001919.db2.gz	WUQPWCPRBDBCJE-UHFFFAOYSA-N	1	3	340.471	1.776	20	30		EDEDHO
C#CCN1CCC(C(=O)N[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)CC1	ZINC000374314066	250259840	/nfs/dbraw/zinc/25/98/40/250259840.db2.gz	VXPNWARKLFPEET-MOPGFXCFSA-N	1	3	325.456	1.546	20	30		EDEDHO
C#CCN1CCC(C(=O)N[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)CC1	ZINC000374314066	250259845	/nfs/dbraw/zinc/25/98/45/250259845.db2.gz	VXPNWARKLFPEET-MOPGFXCFSA-N	1	3	325.456	1.546	20	30		EDEDHO
N#CCCC[C@H]([NH3+])C(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1	ZINC000424176261	252154370	/nfs/dbraw/zinc/15/43/70/252154370.db2.gz	RRNLDPZIJLADKA-ROUUACIJSA-N	1	3	344.459	1.415	20	30		EDEDHO
CN1CC[NH+](C[C@@H]2CCCN(CCOc3cccc(C#N)c3)C2)CC1	ZINC000367169605	154029060	/nfs/dbraw/zinc/02/90/60/154029060.db2.gz	BDTZZEJVKQMYEL-LJQANCHMSA-N	1	3	342.487	1.896	20	30		EDEDHO
CCN1CCC[C@H]1CNC(=[NH2+])NCCCN(C)C(=O)OC(C)(C)C	ZINC000170905543	442286849	/nfs/dbraw/zinc/28/68/49/442286849.db2.gz	VGBCHCQJQXILFW-AWEZNQCLSA-N	1	3	341.500	1.632	20	30		EDEDHO
CCN1CCC[C@@H]1CNC(=[NH2+])NCc1nc2cc(OC)ccc2n1C	ZINC000184657959	443056382	/nfs/dbraw/zinc/05/63/82/443056382.db2.gz	HCCZPZMGOHCNNP-CYBMUJFWSA-N	1	3	344.463	1.471	20	30		EDEDHO
CC(C)N(CCNC(=[NH2+])N1CCN(c2ncccn2)CC1)C(C)C	ZINC000264119795	443250012	/nfs/dbraw/zinc/25/00/12/443250012.db2.gz	QQVAJBBKTBJTNS-UHFFFAOYSA-N	1	3	333.484	1.032	20	30		EDEDHO
CCOC(=O)N[C@@H](CNC(=[NH2+])NC[C@@H]1CCCN1CC)CC(C)C	ZINC000303888301	444237576	/nfs/dbraw/zinc/23/75/76/444237576.db2.gz	OWAPZCKJUKSDKF-CABCVRRESA-N	1	3	341.500	1.536	20	30		EDEDHO
C[C@H](C[C@H](C)[NH3+])NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1	ZINC000580644235	322077537	/nfs/dbraw/zinc/07/75/37/322077537.db2.gz	LCGYAEKOFBROBT-LSDHHAIUSA-N	1	3	331.464	1.757	20	30		EDEDHO
N#Cc1ccc(C[NH2+]CCCCN2CCN(CCO)CC2)c(F)c1	ZINC000344303805	444889857	/nfs/dbraw/zinc/88/98/57/444889857.db2.gz	CEOOUHUTBJDKBN-UHFFFAOYSA-N	1	3	334.439	1.177	20	30		EDEDHO
N#CCc1ccc(OC[C@H](O)CNC2CC[NH+](C3CC3)CC2)cc1	ZINC000571994163	448255113	/nfs/dbraw/zinc/25/51/13/448255113.db2.gz	KXQSIEHHUFASEN-GOSISDBHSA-N	1	3	329.444	1.709	20	30		EDEDHO
CC[NH+]1CCC(N2CCC(C(=O)N[C@@](C)(C#N)COC)CC2)CC1	ZINC000572615300	448424365	/nfs/dbraw/zinc/42/43/65/448424365.db2.gz	WRNOGBQNXLEIEP-SFHVURJKSA-N	1	3	336.480	1.228	20	30		EDEDHO
CN(CCC#N)C[C@H](O)CNC[C@@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000579228309	448745213	/nfs/dbraw/zinc/74/52/13/448745213.db2.gz	HZQPILKNWNFKQH-RBUKOAKNSA-N	1	3	330.476	1.304	20	30		EDEDHO
CN(CCC#N)C[C@H](O)CNC[C@@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000579228309	448745217	/nfs/dbraw/zinc/74/52/17/448745217.db2.gz	HZQPILKNWNFKQH-RBUKOAKNSA-N	1	3	330.476	1.304	20	30		EDEDHO
CC[NH+]1CCC(N2CCC(C(=O)N(CCC#N)CCC#N)CC2)CC1	ZINC000521895736	449025240	/nfs/dbraw/zinc/02/52/40/449025240.db2.gz	GDDVNXWYRSCOFH-UHFFFAOYSA-N	1	3	345.491	1.839	20	30		EDEDHO
CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C1(C[NH+](C)C)CC1	ZINC000602070868	449321789	/nfs/dbraw/zinc/32/17/89/449321789.db2.gz	IVPIJCDWMWTYBZ-UHFFFAOYSA-N	1	3	328.460	1.790	20	30		EDEDHO
CN(C)CCN(Cc1cccc(C#N)c1)C(=O)C[C@@H]1CC[N@H+](C)C1	ZINC000602087518	449333861	/nfs/dbraw/zinc/33/38/61/449333861.db2.gz	IGOWUVCKFNRBOF-SFHVURJKSA-N	1	3	328.460	1.790	20	30		EDEDHO
CN(C)CCN(Cc1cccc(C#N)c1)C(=O)C[C@@H]1CC[N@@H+](C)C1	ZINC000602087518	449333868	/nfs/dbraw/zinc/33/38/68/449333868.db2.gz	IGOWUVCKFNRBOF-SFHVURJKSA-N	1	3	328.460	1.790	20	30		EDEDHO
C=CCN(CC=C)[C@@H](CNC(=O)c1c[nH]nc1[C@@H]1CC[NH2+]C1)C(C)C	ZINC000662379998	453089203	/nfs/dbraw/zinc/08/92/03/453089203.db2.gz	HSQAHKJAEJCUDP-WBVHZDCISA-N	1	3	345.491	1.915	20	30		EDEDHO
N#Cc1cccc(C2(NC[C@H]3C[C@@]4(CC[NH2+]C4)CO3)CCOCC2)c1	ZINC000903764989	592309169	/nfs/dbraw/zinc/30/91/69/592309169.db2.gz	CXPOMZVUCLURRB-RTBURBONSA-N	1	3	341.455	1.922	20	30		EDEDHO
CN(C)CCN(CC[NH+](C)C)C(=O)Nc1nc(Cl)c(C#N)s1	ZINC000888418118	593055537	/nfs/dbraw/zinc/05/55/37/593055537.db2.gz	YYWWPQCHLIMEPR-UHFFFAOYSA-N	1	3	344.872	1.625	20	30		EDEDHO
C#CCC1(O)CCN(C/C=C/C[NH+]2CCC(O)(CC#C)CC2)CC1	ZINC000880480767	597942099	/nfs/dbraw/zinc/94/20/99/597942099.db2.gz	FVOWXDNLRANQED-AATRIKPKSA-N	1	3	330.472	1.243	20	30		EDEDHO
C#CCN(C(=O)NC[C@@H](C)[N@@H+]1CCC[C@H](C)C1)C1CCN(C)CC1	ZINC000914074732	695069855	/nfs/dbraw/zinc/06/98/55/695069855.db2.gz	LJLFODAYDCXOPX-DLBZAZTESA-N	1	3	334.508	1.846	20	30		EDEDHO
C#CCN(C(=O)NC[C@@H](C)[N@H+]1CCC[C@H](C)C1)C1CCN(C)CC1	ZINC000914074732	695069857	/nfs/dbraw/zinc/06/98/57/695069857.db2.gz	LJLFODAYDCXOPX-DLBZAZTESA-N	1	3	334.508	1.846	20	30		EDEDHO
C=C(C)CCN1CC(N2CCN(C(=O)C[N@H+]3CCC[C@@H]3C)CC2)C1	ZINC000941566301	701585201	/nfs/dbraw/zinc/58/52/01/701585201.db2.gz	AUIUEQDOERNGDU-KRWDZBQOSA-N	1	3	334.508	1.265	20	30		EDEDHO
C=C(C)CCN1CC(N2CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)CC2)C1	ZINC000941566301	701585202	/nfs/dbraw/zinc/58/52/02/701585202.db2.gz	AUIUEQDOERNGDU-KRWDZBQOSA-N	1	3	334.508	1.265	20	30		EDEDHO
C#CCN1CCC(C(=O)N2C[C@H](C)[C@H]([NH2+]Cc3cncs3)C2)CC1	ZINC000939812233	699960078	/nfs/dbraw/zinc/96/00/78/699960078.db2.gz	VOIBAVUPEAFCMF-WMLDXEAASA-N	1	3	346.500	1.425	20	30		EDEDHO
C#CCN1CC[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)[C@H](C)C1	ZINC000942718221	703232145	/nfs/dbraw/zinc/23/21/45/703232145.db2.gz	DBQSUIICOPHZBN-VQIMIIECSA-N	1	3	327.472	1.864	20	30		EDEDHO
C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CN4CCC[C@@H]4CO3)CC[C@@H]2C1	ZINC000946597721	704293035	/nfs/dbraw/zinc/29/30/35/704293035.db2.gz	HSYNSECKIMGERI-FCGDIQPGSA-N	1	3	347.503	1.596	20	30		EDEDHO
C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CN4CCC[C@@H]4CO3)CC[C@@H]2C1	ZINC000946597721	704293036	/nfs/dbraw/zinc/29/30/36/704293036.db2.gz	HSYNSECKIMGERI-FCGDIQPGSA-N	1	3	347.503	1.596	20	30		EDEDHO
CN(C(=O)[C@H]1CCCN1C)C1CC([NH2+]Cc2ccc(C#N)s2)C1	ZINC000998550389	705986376	/nfs/dbraw/zinc/98/63/76/705986376.db2.gz	LYZIJHFBPJKOLV-SEEARECTSA-N	1	3	332.473	1.793	20	30		EDEDHO
CN1CCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]Cc2ccc(C#N)c(F)c2)C1	ZINC000998718009	706149943	/nfs/dbraw/zinc/14/99/43/706149943.db2.gz	AFVHLHGPFDHATE-FUHWJXTLSA-N	1	3	344.434	1.872	20	30		EDEDHO
CN1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2ccc(C#N)s2)C1	ZINC000998725159	706159758	/nfs/dbraw/zinc/15/97/58/706159758.db2.gz	VMQAWZGSGXBKTF-BBRMVZONSA-N	1	3	332.473	1.795	20	30		EDEDHO
C=C(C)CC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1	ZINC001033277688	707343579	/nfs/dbraw/zinc/34/35/79/707343579.db2.gz	GKSZDZQWRABHGV-ISXWCOSWSA-N	1	3	333.476	1.349	20	30		EDEDHO
C=C(C)CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1	ZINC001033277688	707343581	/nfs/dbraw/zinc/34/35/81/707343581.db2.gz	GKSZDZQWRABHGV-ISXWCOSWSA-N	1	3	333.476	1.349	20	30		EDEDHO
C#CCN1CCC(CNC(=O)c2ccc(CC[NH+](C)C)cc2)CC1	ZINC001001836124	708340723	/nfs/dbraw/zinc/34/07/23/708340723.db2.gz	FXGVYWNUSMINDP-UHFFFAOYSA-N	1	3	327.472	1.866	20	30		EDEDHO
CCN1CCN(CCC[NH2+][C@@H]2CCC[C@@H]3O[C@H](CC#N)C[C@H]32)CC1	ZINC000376161817	279357205	/nfs/dbraw/zinc/35/72/05/279357205.db2.gz	JWVGJCFJIPGINN-HCXYKTFWSA-N	1	3	334.508	1.843	20	30		EDEDHO
C[C@H](Cc1ccccc1)[NH+]1CCC(NCCn2cnc(C#N)n2)CC1	ZINC000449322016	447372373	/nfs/dbraw/zinc/37/23/73/447372373.db2.gz	NVPFHALPUXSVNF-MRXNPFEDSA-N	1	3	338.459	1.835	20	30		EDEDHO
C=CCN(CC=C)C(=O)CN(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1	ZINC000378428616	447426483	/nfs/dbraw/zinc/42/64/83/447426483.db2.gz	JRYXBSOYNBOTOF-GOSISDBHSA-N	1	3	334.508	1.287	20	30		EDEDHO
CCN1CCC[C@H]1CNC(=[NH2+])NCC(=O)N(C)Cc1ccccc1	ZINC000170913630	442287774	/nfs/dbraw/zinc/28/77/74/442287774.db2.gz	WRPNUAGTUAFRNT-INIZCTEOSA-N	1	3	331.464	1.034	20	30		EDEDHO
[NH2+]=C(NCc1ccc(CN2CCC(O)CC2)cc1)Nc1ccccn1	ZINC000178567041	442444768	/nfs/dbraw/zinc/44/47/68/442444768.db2.gz	QSJJULOTALEFGY-UHFFFAOYSA-N	1	3	339.443	1.965	20	30		EDEDHO
CCN1CCC[C@H]1CNC(=[NH2+])NC[C@]1(C)OCCc2sccc21	ZINC000262349564	443191096	/nfs/dbraw/zinc/19/10/96/443191096.db2.gz	YPGZDHHWOQSSLM-GUYCJALGSA-N	1	3	336.505	1.925	20	30		EDEDHO
COC[C@@H](C)NC(=[NH2+])NCCCN1CCN(C)C[C@H]1c1ccccc1	ZINC000264091686	443248748	/nfs/dbraw/zinc/24/87/48/443248748.db2.gz	LDCUJPMGVWMSPT-AEFFLSMTSA-N	1	3	347.507	1.304	20	30		EDEDHO
CCN1CCC[C@H]1CNC(=[NH2+])NCc1cccnc1OCC(F)F	ZINC000270643894	443477671	/nfs/dbraw/zinc/47/76/71/443477671.db2.gz	YZNYHYSGDJNBFN-ZDUSSCGKSA-N	1	3	341.406	1.614	20	30		EDEDHO
CCCNC(=[NH2+])NCc1cccc(CN2CCC[C@H](C(N)=O)C2)c1	ZINC000267438501	443457576	/nfs/dbraw/zinc/45/75/76/443457576.db2.gz	OLVGXGYNCHQHKA-INIZCTEOSA-N	1	3	331.464	1.198	20	30		EDEDHO
CCCNC(=[NH2+])NCc1cccc(CN2CCC[C@@H](C(N)=O)C2)c1	ZINC000267438504	443457725	/nfs/dbraw/zinc/45/77/25/443457725.db2.gz	OLVGXGYNCHQHKA-MRXNPFEDSA-N	1	3	331.464	1.198	20	30		EDEDHO
COC[C@@H](C)NC(=[NH2+])NCc1ccc(OC2CCN(C)CC2)cc1	ZINC000284139362	443767870	/nfs/dbraw/zinc/76/78/70/443767870.db2.gz	UXMPLMOMRISAKV-CQSZACIVSA-N	1	3	334.464	1.599	20	30		EDEDHO
CCN1CCC[C@@H]1CNC(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1	ZINC000330233790	444900026	/nfs/dbraw/zinc/90/00/26/444900026.db2.gz	SHNBGHYJQYFTMX-BRWVUGGUSA-N	1	3	338.496	1.352	20	30		EDEDHO
OCC[C@H]1CCCN(CC#CC[N@@H+]2CCC[C@H](CCO)CC2)CC1	ZINC000421020003	446991140	/nfs/dbraw/zinc/99/11/40/446991140.db2.gz	QPZULBPHBCVMSO-PMACEKPBSA-N	1	3	336.520	1.959	20	30		EDEDHO
OCC[C@H]1CCCN(CC#CC[N@H+]2CCC[C@H](CCO)CC2)CC1	ZINC000421020003	446991143	/nfs/dbraw/zinc/99/11/43/446991143.db2.gz	QPZULBPHBCVMSO-PMACEKPBSA-N	1	3	336.520	1.959	20	30		EDEDHO
C=CCN(CC=C)[C@H](CNC(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1)C(C)C	ZINC000417067458	447733215	/nfs/dbraw/zinc/73/32/15/447733215.db2.gz	RQZPDUBRDZKUSD-RCCFBDPRSA-N	1	3	334.508	1.936	20	30		EDEDHO
C[C@@H]1CC[C@H](NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)C[NH2+]1	ZINC000599942366	449120237	/nfs/dbraw/zinc/12/02/37/449120237.db2.gz	ZVHBWIHNICQWLP-QAPCUYQASA-N	1	3	343.475	1.772	20	30		EDEDHO
CN1CCN(Cc2ccc(C[NH2+]C[C@@H](O)CC3(C#N)CC3)cc2)CC1	ZINC000600717348	449514656	/nfs/dbraw/zinc/51/46/56/449514656.db2.gz	KJXITHGEMMMSRS-IBGZPJMESA-N	1	3	342.487	1.578	20	30		EDEDHO
C=CC[C@@]1(C(=O)NCc2ccccc2OCCN(C)C)CCC[NH2+]1	ZINC000662701929	453423628	/nfs/dbraw/zinc/42/36/28/453423628.db2.gz	GDKSEVXDTQGPCW-IBGZPJMESA-N	1	3	331.460	1.942	20	30		EDEDHO
CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](c1ccco1)N1CCCC1	ZINC000104155002	529074219	/nfs/dbraw/zinc/07/42/19/529074219.db2.gz	KLBZHTOATXEMRB-CVEARBPZSA-N	1	3	333.480	1.805	20	30		EDEDHO
C#CCN(C(=O)C1CCN(C2CC[NH+](CC)CC2)CC1)C1CSC1	ZINC000912365735	593090424	/nfs/dbraw/zinc/09/04/24/593090424.db2.gz	WMOKMCNVJPJUOY-UHFFFAOYSA-N	1	3	349.544	1.760	20	30		EDEDHO
CCc1ccc(C#CC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)cc1	ZINC000855346430	595680728	/nfs/dbraw/zinc/68/07/28/595680728.db2.gz	BNAKTXKQQQWWSR-KRWDZBQOSA-N	1	3	329.488	1.989	20	30		EDEDHO
CCc1ccc(C#CC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)cc1	ZINC000855346430	595680729	/nfs/dbraw/zinc/68/07/29/595680729.db2.gz	BNAKTXKQQQWWSR-KRWDZBQOSA-N	1	3	329.488	1.989	20	30		EDEDHO
CN(C)CCN(CC[NH+](C)C)C(=O)N[C@H]1Cc2ccc(C#N)cc2C1	ZINC000876279787	597159982	/nfs/dbraw/zinc/15/99/82/597159982.db2.gz	SRPXJRDMSZXOTP-SFHVURJKSA-N	1	3	343.475	1.160	20	30		EDEDHO
N#C[C@H]1C[NH2+]CC12CC(C(=O)N1CCN(CC3CCCCC3)CC1)C2	ZINC000884185096	598018051	/nfs/dbraw/zinc/01/80/51/598018051.db2.gz	KZUWWGRJJQCELJ-FDYSRKEFSA-N	1	3	344.503	1.850	20	30		EDEDHO
CC(C)[N@H+](C)CC1CCN(C(=O)C2CC3(C2)CNC[C@H]3C#N)CC1	ZINC000884197227	598024324	/nfs/dbraw/zinc/02/43/24/598024324.db2.gz	OATHKLBNQIICRX-TVRKMHQQSA-N	1	3	332.492	1.705	20	30		EDEDHO
CC(C)[N@@H+](C)CC1CCN(C(=O)C2CC3(C2)CNC[C@H]3C#N)CC1	ZINC000884197227	598024327	/nfs/dbraw/zinc/02/43/27/598024327.db2.gz	OATHKLBNQIICRX-TVRKMHQQSA-N	1	3	332.492	1.705	20	30		EDEDHO
CN(C(=O)[C@@H]1CCCN1C)C1CC([NH2+]Cc2ccc(C#N)cc2F)C1	ZINC000998552897	705990591	/nfs/dbraw/zinc/99/05/91/705990591.db2.gz	UPORMFWGOVXXFY-HTWSVDAQSA-N	1	3	344.434	1.871	20	30		EDEDHO
C=C(Cl)CN[C@H]1CCCN(C(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1	ZINC000999764464	707318805	/nfs/dbraw/zinc/31/88/05/707318805.db2.gz	KMNLTMDLNHEYHO-KRIMKBQASA-N	1	3	339.867	1.183	20	30		EDEDHO
C=C(Cl)CN[C@H]1CCCN(C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1	ZINC000999764464	707318807	/nfs/dbraw/zinc/31/88/07/707318807.db2.gz	KMNLTMDLNHEYHO-KRIMKBQASA-N	1	3	339.867	1.183	20	30		EDEDHO
C#CCN(C(=O)NCC1CC[NH+](C2CC2)CC1)C1CCN(C)CC1	ZINC000922223523	710471652	/nfs/dbraw/zinc/47/16/52/710471652.db2.gz	XBOJUYDBWNFBHZ-UHFFFAOYSA-N	1	3	332.492	1.600	20	30		EDEDHO
C=CCN(CC=C)C(=O)C[NH2+][C@@H]1CCN(CCCOCC)C[C@@H]1C	ZINC000274847473	201271595	/nfs/dbraw/zinc/27/15/95/201271595.db2.gz	OCAJLCYVXDRFTN-ZWKOTPCHSA-N	1	3	337.508	1.914	20	30		EDEDHO
CN(CCC#N)C(=O)CC[NH+]1CCC(C)(CN2CCN(C)CC2)CC1	ZINC000375236925	250280918	/nfs/dbraw/zinc/28/09/18/250280918.db2.gz	KTOGBPXALUAWEY-UHFFFAOYSA-N	1	3	349.523	1.098	20	30		EDEDHO
CN1CC[NH+](C[C@H]2CCCN(CCOc3ccc(C#N)cc3)C2)CC1	ZINC000378300209	158133473	/nfs/dbraw/zinc/13/34/73/158133473.db2.gz	VXPBAWUPQMNHMG-IBGZPJMESA-N	1	3	342.487	1.896	20	30		EDEDHO
C#CCN1CCC(C(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)CC1	ZINC000066921474	441587029	/nfs/dbraw/zinc/58/70/29/441587029.db2.gz	OTXXAKWDVZHBDC-LJQANCHMSA-N	1	3	327.472	1.621	20	30		EDEDHO
CN(C)CC1(CNC(=[NH2+])N2CCN(c3ncccn3)CC2)CCCC1	ZINC000262415923	443193267	/nfs/dbraw/zinc/19/32/67/443193267.db2.gz	YXULXEUHMPUZRN-UHFFFAOYSA-N	1	3	345.495	1.035	20	30		EDEDHO
CCN1CCC[C@H]1CNC(=[NH2+])NC[C@H](O)c1ccc(Cl)c(F)c1	ZINC000270579603	443476278	/nfs/dbraw/zinc/47/62/78/443476278.db2.gz	PSFWVCBVQHXMMQ-WFASDCNBSA-N	1	3	342.846	1.901	20	30		EDEDHO
COC[C@H](C)NC(=[NH2+])NCc1ccc(CN2CCC(O)CC2)cc1	ZINC000267414402	443448848	/nfs/dbraw/zinc/44/88/48/443448848.db2.gz	JAWYDYFNMDZBSG-AWEZNQCLSA-N	1	3	334.464	1.083	20	30		EDEDHO
CCN1CCC[C@@H]1CNC(=[NH2+])NCCN(C)C(=O)OC(C)(C)C	ZINC000303976432	444238384	/nfs/dbraw/zinc/23/83/84/444238384.db2.gz	KFEGKNGGTNYGDI-CYBMUJFWSA-N	1	3	327.473	1.242	20	30		EDEDHO
CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CCC[C@@H]1C[NH3+]	ZINC000418467202	446555541	/nfs/dbraw/zinc/55/55/41/446555541.db2.gz	OFXODQQWQJYQTC-MSOLQXFVSA-N	1	3	343.475	1.759	20	30		EDEDHO
CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCC1(CC#N)CC1	ZINC000431206959	447793749	/nfs/dbraw/zinc/79/37/49/447793749.db2.gz	LWIYZZMYJMSWME-INIZCTEOSA-N	1	3	335.496	1.738	20	30		EDEDHO
CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCC1(CC#N)CC1	ZINC000431206959	447793751	/nfs/dbraw/zinc/79/37/51/447793751.db2.gz	LWIYZZMYJMSWME-INIZCTEOSA-N	1	3	335.496	1.738	20	30		EDEDHO
CN(C)CCN(CC[NH+](C)C)C(=O)NCCc1cccc(C#N)c1	ZINC000575920506	447928281	/nfs/dbraw/zinc/92/82/81/447928281.db2.gz	WQDSSAQQTUIOAT-UHFFFAOYSA-N	1	3	331.464	1.236	20	30		EDEDHO
COc1cc[nH+]c(NNC2=CC(=O)N(C(=O)OC(C)(C)C)C2C)n1	ZINC000496850439	447968013	/nfs/dbraw/zinc/96/80/13/447968013.db2.gz	VMVFIGNKKNOSJF-VIFPVBQESA-N	1	3	335.364	1.809	20	30		EDEDHO
C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCc1ccc(C#N)cc1	ZINC000596125585	449376261	/nfs/dbraw/zinc/37/62/61/449376261.db2.gz	CBBYJLBBVAHDQH-HNNXBMFYSA-N	1	3	331.464	1.629	20	30		EDEDHO
C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCc1ccc(C#N)cc1	ZINC000596125585	449376266	/nfs/dbraw/zinc/37/62/66/449376266.db2.gz	CBBYJLBBVAHDQH-HNNXBMFYSA-N	1	3	331.464	1.629	20	30		EDEDHO
N#CCCCC[C@H](N)C(=O)NCC1([NH+]2CCCCC2)CCOCC1	ZINC000594439580	449518414	/nfs/dbraw/zinc/51/84/14/449518414.db2.gz	XMLGCLZOSURDAJ-INIZCTEOSA-N	1	3	336.480	1.549	20	30		EDEDHO
CN1CCN(Cc2ccc(C[NH2+]C[C@@H](O)CC(C)(C)C#N)cc2)CC1	ZINC000598715983	449559921	/nfs/dbraw/zinc/55/99/21/449559921.db2.gz	XAWZMVGGVRTLEB-IBGZPJMESA-N	1	3	344.503	1.824	20	30		EDEDHO
C=CCN(CC=C)[C@H](CNC(=O)c1cn([C@@H]2CC[NH2+]C2)nn1)C(C)C	ZINC000649297131	451973483	/nfs/dbraw/zinc/97/34/83/451973483.db2.gz	KYYTWRZYYXSEEK-NVXWUHKLSA-N	1	3	346.479	1.241	20	30		EDEDHO
C#CCNC(=O)CN(C)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1	ZINC000729926668	578602090	/nfs/dbraw/zinc/60/20/90/578602090.db2.gz	CAUPXGRZNKQETN-LJQANCHMSA-N	1	3	343.471	1.113	20	30		EDEDHO
CN(C)C[C@H]1CN(C(=O)C#CC2CC[NH2+]CC2)c2ccccc2O1	ZINC000852872072	595591506	/nfs/dbraw/zinc/59/15/06/595591506.db2.gz	HMMATJZNWSBUDC-INIZCTEOSA-N	1	3	327.428	1.345	20	30		EDEDHO
C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)C#CC1CC[NH2+]CC1	ZINC000852884207	595597944	/nfs/dbraw/zinc/59/79/44/595597944.db2.gz	GSSVUPYAKXYBFK-VQIMIIECSA-N	1	3	325.456	1.626	20	30		EDEDHO
CN1CCN(C2CC[NH+](C[C@H](O)c3ccc(C#N)cc3)CC2)CC1	ZINC000879593362	597649208	/nfs/dbraw/zinc/64/92/08/597649208.db2.gz	YGJPBBRYERGCIY-IBGZPJMESA-N	1	3	328.460	1.303	20	30		EDEDHO
CN(CCNC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N)Cc1ccccc1	ZINC000884199729	598025669	/nfs/dbraw/zinc/02/56/69/598025669.db2.gz	IDIQOJUKBMNQHZ-HFCFLWKCSA-N	1	3	326.444	1.374	20	30		EDEDHO
C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CN3CC4CC3(C4)CO2)CC1(C)C	ZINC000996069691	702480583	/nfs/dbraw/zinc/48/05/83/702480583.db2.gz	KUCXKSZQRLDUKM-YJTLQXIOSA-N	1	3	333.476	1.252	20	30		EDEDHO
N#Cc1ccccc1CNC1CCN(C(=O)C23CC[NH+](CC2)C3)CC1	ZINC000997192031	703489325	/nfs/dbraw/zinc/48/93/25/703489325.db2.gz	ILVHUISDPZACOP-UHFFFAOYSA-N	1	3	338.455	1.735	20	30		EDEDHO
C#CCN(C(=O)NC1CC[NH+](C2CCC2)CC1)C1CCN(C)CC1	ZINC000922769149	704320164	/nfs/dbraw/zinc/32/01/64/704320164.db2.gz	QTWHLJKTTAHCES-UHFFFAOYSA-N	1	3	332.492	1.742	20	30		EDEDHO
C=C(C)C[NH+]1CCC([C@H](C)NC(=O)[C@H]2CN3CC4CC3(C4)CO2)CC1	ZINC000997690483	704563050	/nfs/dbraw/zinc/56/30/50/704563050.db2.gz	BHXVFVJEPPVVCO-GBJJWRMUSA-N	1	3	347.503	1.642	20	30		EDEDHO
C#CCN1CCC[C@@H](N(CC)C(=O)c2ccn(CC[NH+](C)C)n2)CC1	ZINC000998007463	705172437	/nfs/dbraw/zinc/17/24/37/705172437.db2.gz	OHKUADIKTCENCO-QGZVFWFLSA-N	1	3	345.491	1.395	20	30		EDEDHO
CN1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2ccc(C#N)c(F)c2)C1	ZINC000998718005	706149545	/nfs/dbraw/zinc/14/95/45/706149545.db2.gz	AFVHLHGPFDHATE-AEFFLSMTSA-N	1	3	344.434	1.872	20	30		EDEDHO
C#CCN1CCC(C(=O)N(CC)[C@H]2CC[N@H+](C[C@@H](C)OC)C2)CC1	ZINC001034046686	709299739	/nfs/dbraw/zinc/29/97/39/709299739.db2.gz	UGTSQDANWXMOLU-AEFFLSMTSA-N	1	3	335.492	1.289	20	30		EDEDHO
C#CCN1CCC(C(=O)N(CC)[C@H]2CC[N@@H+](C[C@@H](C)OC)C2)CC1	ZINC001034046686	709299742	/nfs/dbraw/zinc/29/97/42/709299742.db2.gz	UGTSQDANWXMOLU-AEFFLSMTSA-N	1	3	335.492	1.289	20	30		EDEDHO
CN(C)[C@H](C(=O)N1CCC[C@@H]1C[NH2+]Cc1cccc(C#N)c1)C1CC1	ZINC001034958916	711433252	/nfs/dbraw/zinc/43/32/52/711433252.db2.gz	OWRBEOJQTWRDMO-MOPGFXCFSA-N	1	3	340.471	1.979	20	30		EDEDHO
CN(CCC#N)C(=O)CC[N@H+](C)CC1CCN(c2ccncc2)CC1	ZINC000374779390	250272062	/nfs/dbraw/zinc/27/20/62/250272062.db2.gz	LDHXONGYYMMZPB-UHFFFAOYSA-N	1	3	343.475	1.992	20	30		EDEDHO
CN(CCC#N)C(=O)CC[N@@H+](C)CC1CCN(c2ccncc2)CC1	ZINC000374779390	250272065	/nfs/dbraw/zinc/27/20/65/250272065.db2.gz	LDHXONGYYMMZPB-UHFFFAOYSA-N	1	3	343.475	1.992	20	30		EDEDHO
C[C@H](CCC[NH3+])NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1	ZINC000418685734	251386810	/nfs/dbraw/zinc/38/68/10/251386810.db2.gz	DRQACAVEFGXPAR-OAHLLOKOSA-N	1	3	331.464	1.759	20	30		EDEDHO
CN1CCN(CC[NH2+][C@@H]2CCC[C@@H]3O[C@H](CC#N)C[C@H]32)CC1(C)C	ZINC000374241571	290044473	/nfs/dbraw/zinc/04/44/73/290044473.db2.gz	NZWRVKHKQUXPSH-XDNAFOTISA-N	1	3	334.508	1.842	20	30		EDEDHO
CCN1CCC[C@@H]1CNC(=[NH2+])NCCc1ccc2c(c1)OCCO2	ZINC000170905849	442286748	/nfs/dbraw/zinc/28/67/48/442286748.db2.gz	BSGRZOSEMFESGO-OAHLLOKOSA-N	1	3	332.448	1.389	20	30		EDEDHO
CN(C)C[C@](C)(O)C[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1	ZINC000182066139	442733004	/nfs/dbraw/zinc/73/30/04/442733004.db2.gz	OVBDVIBUSXRHFH-LJQANCHMSA-N	1	3	330.476	1.425	20	30		EDEDHO
COC[C@@H](C)NC(=[NH2+])NC[C@@H]1CN(Cc2ccccc2)CCCO1	ZINC000190535541	443130560	/nfs/dbraw/zinc/13/05/60/443130560.db2.gz	WZZRMAJPIXLEQD-NVXWUHKLSA-N	1	3	334.464	1.217	20	30		EDEDHO
CCN1CCC[C@@H]1CNC(=[NH2+])NCCCNC(=O)c1occc1C	ZINC000267395158	443442831	/nfs/dbraw/zinc/44/28/31/443442831.db2.gz	DVQMKEJGEZJURB-CQSZACIVSA-N	1	3	335.452	1.097	20	30		EDEDHO
C=CCN(CC=C)[C@H](CNC(=O)NC[C@@](C)(O)C[NH+](C)C)C(C)C	ZINC000269935422	443455905	/nfs/dbraw/zinc/45/59/05/443455905.db2.gz	VGFKEDSOHZJZNQ-SJLPKXTDSA-N	1	3	340.512	1.297	20	30		EDEDHO
CCN1CCC[C@H]1CNC(=[NH2+])NCCOc1ccc(F)c(F)c1	ZINC000267447653	443460672	/nfs/dbraw/zinc/46/06/72/443460672.db2.gz	QMHMADKSFFJFFS-LBPRGKRZSA-N	1	3	326.391	1.732	20	30		EDEDHO
CN(CCN1CCCC1)C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1	ZINC000330299178	444928561	/nfs/dbraw/zinc/92/85/61/444928561.db2.gz	HVQKLPLFHUMVIK-SJORKVTESA-N	1	3	338.496	1.306	20	30		EDEDHO
C=CC[C@@H](CO)CNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1	ZINC000341799293	445006431	/nfs/dbraw/zinc/00/64/31/445006431.db2.gz	FOOQWWNVBDCIMA-OAHLLOKOSA-N	1	3	338.496	1.029	20	30		EDEDHO
C(#CCN1CC[N@@H+]2CCCC[C@@H]2C1)CN1CCN2CCCC[C@@H]2C1	ZINC000341902599	445062789	/nfs/dbraw/zinc/06/27/89/445062789.db2.gz	AAJBSZOAAWBIMX-WOJBJXKFSA-N	1	3	330.520	1.330	20	30		EDEDHO
C(#CCN1CC[N@H+]2CCCC[C@@H]2C1)CN1CCN2CCCC[C@@H]2C1	ZINC000341902599	445062792	/nfs/dbraw/zinc/06/27/92/445062792.db2.gz	AAJBSZOAAWBIMX-WOJBJXKFSA-N	1	3	330.520	1.330	20	30		EDEDHO
C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1	ZINC000362549524	445434017	/nfs/dbraw/zinc/43/40/17/445434017.db2.gz	BZIXIYKIXIUHLK-QAPCUYQASA-N	1	3	328.460	1.646	20	30		EDEDHO
C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1	ZINC000362549524	445434023	/nfs/dbraw/zinc/43/40/23/445434023.db2.gz	BZIXIYKIXIUHLK-QAPCUYQASA-N	1	3	328.460	1.646	20	30		EDEDHO
CN(C)CCOCC[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1	ZINC000361457001	445769213	/nfs/dbraw/zinc/76/92/13/445769213.db2.gz	PGNGWEANQKNZLK-UHFFFAOYSA-N	1	3	330.476	1.690	20	30		EDEDHO
C[C@@H]1C[N@H+](CCCNC[C@H](O)COc2ccc(C#N)cc2)CCCO1	ZINC000577502886	448315436	/nfs/dbraw/zinc/31/54/36/448315436.db2.gz	IISBDVZTFSUCBD-AEFFLSMTSA-N	1	3	347.459	1.388	20	30		EDEDHO
C[C@@H]1C[N@@H+](CCCNC[C@H](O)COc2ccc(C#N)cc2)CCCO1	ZINC000577502886	448315439	/nfs/dbraw/zinc/31/54/39/448315439.db2.gz	IISBDVZTFSUCBD-AEFFLSMTSA-N	1	3	347.459	1.388	20	30		EDEDHO
CN(CCC#N)C[C@@H](O)CNC1CC[NH+](CCc2ccccc2)CC1	ZINC000568367552	448861333	/nfs/dbraw/zinc/86/13/33/448861333.db2.gz	NQPCCCCKEJZZGC-FQEVSTJZSA-N	1	3	344.503	1.489	20	30		EDEDHO
CN1CCC[C@@H](NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)C1	ZINC000604290970	449202316	/nfs/dbraw/zinc/20/23/16/449202316.db2.gz	ZNIZPPKFUKINBQ-GOSISDBHSA-N	1	3	343.475	1.726	20	30		EDEDHO
C[C@@H](C[N@H+](C)CCCN(C)C)Nc1cc(N)c([N+](=O)[O-])c(C#N)c1	ZINC000596361962	449482693	/nfs/dbraw/zinc/48/26/93/449482693.db2.gz	WGWNDOGBEPQEKC-LBPRGKRZSA-N	1	3	334.424	1.733	20	30		EDEDHO
C[C@@H](C[N@@H+](C)CCCN(C)C)Nc1cc(N)c([N+](=O)[O-])c(C#N)c1	ZINC000596361962	449482696	/nfs/dbraw/zinc/48/26/96/449482696.db2.gz	WGWNDOGBEPQEKC-LBPRGKRZSA-N	1	3	334.424	1.733	20	30		EDEDHO
C=CC[C@]1(C(=O)Nc2ccc(C(=O)NCCN(C)C)cc2)CCC[NH2+]1	ZINC000638527554	451559557	/nfs/dbraw/zinc/55/95/57/451559557.db2.gz	UXFYHMJOPSRWES-LJQANCHMSA-N	1	3	344.459	1.615	20	30		EDEDHO
CCN1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(F)c(CN(C)C)c1	ZINC000267387344	535548613	/nfs/dbraw/zinc/54/86/13/535548613.db2.gz	CAIIMUXVFSWPHX-MRXNPFEDSA-N	1	3	335.471	1.776	20	30		EDEDHO
C=C(CC[NH+](C)C)C(=O)NCc1ccc(CN2CC[C@H](O)C2)cc1	ZINC000912394581	593092565	/nfs/dbraw/zinc/09/25/65/593092565.db2.gz	UEHFYORDFZUBMA-SFHVURJKSA-N	1	3	331.460	1.377	20	30		EDEDHO
C#CCCN1CCC(NC(=O)C2CC[NH+]([C@H]3CCSC3)CC2)CC1	ZINC000847514632	595438326	/nfs/dbraw/zinc/43/83/26/595438326.db2.gz	HWLJHCDJJHRNSK-SFHVURJKSA-N	1	3	349.544	1.808	20	30		EDEDHO
O=C(C#CC1CC[NH2+]CC1)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1	ZINC000852894419	595602762	/nfs/dbraw/zinc/60/27/62/595602762.db2.gz	VWXAZBIOAPHDFL-VQTJNVASSA-N	1	3	337.467	1.722	20	30		EDEDHO
C[C@H](N)[C@H]1COCC[C@@H]1[NH2+]C1CCN(c2ccccc2C#N)CC1	ZINC000873238517	597236017	/nfs/dbraw/zinc/23/60/17/597236017.db2.gz	ARKMEMGUWVGRCF-QGTPRVQTSA-N	1	3	328.460	1.869	20	30		EDEDHO
C=C(Cl)C[C@H](N)C(=O)NCC1([NH+]2CCCCC2)CCOCC1	ZINC000876763837	597329549	/nfs/dbraw/zinc/32/95/49/597329549.db2.gz	JDCPJXBESAAQHV-AWEZNQCLSA-N	1	3	329.872	1.608	20	30		EDEDHO
C=C(Cl)C[C@H](N)C(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1	ZINC000876879326	597366806	/nfs/dbraw/zinc/36/68/06/597366806.db2.gz	QFTUHRHBXKZIQL-GJZGRUSLSA-N	1	3	328.888	1.085	20	30		EDEDHO
C=C(Cl)C[C@H](N)C(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1	ZINC000876879326	597366809	/nfs/dbraw/zinc/36/68/09/597366809.db2.gz	QFTUHRHBXKZIQL-GJZGRUSLSA-N	1	3	328.888	1.085	20	30		EDEDHO
C=C(Cl)C[C@@H](N)C(=O)N1CC[C@H](c2ccc(F)cc2)[C@@H]([NH3+])C1	ZINC000876926084	597386670	/nfs/dbraw/zinc/38/66/70/597386670.db2.gz	KPAMQCVRROQNMY-KFWWJZLASA-N	1	3	325.815	1.939	20	30		EDEDHO
N#C[C@H]1CNCC12CC(C(=O)N1CCC(C[NH+]3CCCC3)CC1)C2	ZINC000884189296	598020781	/nfs/dbraw/zinc/02/07/81/598020781.db2.gz	BLVJUCVXKBKBPW-HFCFLWKCSA-N	1	3	330.476	1.460	20	30		EDEDHO
N#C[C@@H]1CNCC12CC(C(=O)N1CCC[C@@H]([NH+]3CCCC3)CC1)C2	ZINC000884224379	598035656	/nfs/dbraw/zinc/03/56/56/598035656.db2.gz	OHXSJBUBOSSRDP-VZDIDWBNSA-N	1	3	330.476	1.603	20	30		EDEDHO
CC1([NH+]2CCCC2)CCN(C(=O)C2CC3(C2)CNC[C@@H]3C#N)CC1	ZINC000884454265	598110014	/nfs/dbraw/zinc/11/00/14/598110014.db2.gz	JAQLPXRDSAXZPF-WUJZJPHMSA-N	1	3	330.476	1.603	20	30		EDEDHO
C#CCC[N@@H+]1CC[C@H](NC(=O)C2CCN(CC#C)CC2)C(C)(C)C1	ZINC000941239820	701429815	/nfs/dbraw/zinc/42/98/15/701429815.db2.gz	VEZLHUQINJPTEI-SFHVURJKSA-N	1	3	329.488	1.572	20	30		EDEDHO
C#CCC[N@H+]1CC[C@H](NC(=O)C2CCN(CC#C)CC2)C(C)(C)C1	ZINC000941239820	701429817	/nfs/dbraw/zinc/42/98/17/701429817.db2.gz	VEZLHUQINJPTEI-SFHVURJKSA-N	1	3	329.488	1.572	20	30		EDEDHO
C#CCN1CC[NH+](C2CCC(NC(=O)CN3CCC[C@@H]3C)CC2)CC1	ZINC000996789008	703081606	/nfs/dbraw/zinc/08/16/06/703081606.db2.gz	JCPIGAZCJNCNJL-VIQWUECVSA-N	1	3	346.519	1.149	20	30		EDEDHO
C#CCN1CCC(C(=O)NC2CC[NH+](C[C@H]3CC[C@@H](C)O3)CC2)CC1	ZINC001004201923	703931779	/nfs/dbraw/zinc/93/17/79/703931779.db2.gz	SPTCSNGPYHEPBN-VQIMIIECSA-N	1	3	347.503	1.480	20	30		EDEDHO
C#CCCN1CC[C@@H](N(C)C(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1	ZINC001033093446	704170942	/nfs/dbraw/zinc/17/09/42/704170942.db2.gz	UJBMBKATYWQMCH-QRVBRYPASA-N	1	3	347.503	1.289	20	30		EDEDHO
CN(C(=O)CN1CCCC1)C1CC([NH2+]Cc2cccc(C#N)c2)C1	ZINC000999834212	707467036	/nfs/dbraw/zinc/46/70/36/707467036.db2.gz	UIQQCLGKDRXEIZ-UHFFFAOYSA-N	1	3	326.444	1.733	20	30		EDEDHO
N#CCCC[C@@H]([NH3+])C(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1	ZINC000424176263	252154502	/nfs/dbraw/zinc/15/45/02/252154502.db2.gz	RRNLDPZIJLADKA-ZWKOTPCHSA-N	1	3	344.459	1.415	20	30		EDEDHO
CC[NH+](CC)CCNC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1	ZINC000298628996	266116331	/nfs/dbraw/zinc/11/63/31/266116331.db2.gz	HIXWLQZHDIYGNS-UHFFFAOYSA-N	1	3	345.491	1.973	20	30		EDEDHO
N#CCCC[C@H](N)C(=O)NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1	ZINC000424181753	303151932	/nfs/dbraw/zinc/15/19/32/303151932.db2.gz	YBDAJDJYEBPPQF-UAGQMJEPSA-N	1	3	332.423	1.656	20	30		EDEDHO
[NH2+]=C(NCc1ccccc1CN1CC[C@H](O)C1)Nc1ccccn1	ZINC000180453711	442604693	/nfs/dbraw/zinc/60/46/93/442604693.db2.gz	HUNYJOOEJLIWCH-INIZCTEOSA-N	1	3	325.416	1.575	20	30		EDEDHO
COC[C@H](C)NC(=[NH2+])NC[C@@H]1CN(Cc2ccccc2)CCCO1	ZINC000190535521	443130577	/nfs/dbraw/zinc/13/05/77/443130577.db2.gz	WZZRMAJPIXLEQD-DOTOQJQBSA-N	1	3	334.464	1.217	20	30		EDEDHO
CC[NH+]=C(NCc1cn[nH]c1C)N1CC[C@H](C)[C@@H](n2ccnc2)C1	ZINC000261963945	443176621	/nfs/dbraw/zinc/17/66/21/443176621.db2.gz	LAUUVTQVQUNQDP-BBRMVZONSA-N	1	3	329.452	1.963	20	30		EDEDHO
CC(C)CN1CCC[C@@H]1CNC(=[NH2+])N1CCN(c2ncccn2)CC1	ZINC000262770464	443211692	/nfs/dbraw/zinc/21/16/92/443211692.db2.gz	HKUMDNCJDKJXKL-MRXNPFEDSA-N	1	3	345.495	1.034	20	30		EDEDHO
[NH2+]=C(NCCCCN1CCN(Cc2ccccc2)CC1)NC1CC1	ZINC000264121575	443251048	/nfs/dbraw/zinc/25/10/48/443251048.db2.gz	VBGOVYCSJWKCTG-UHFFFAOYSA-N	1	3	329.492	1.651	20	30		EDEDHO
CCc1cccc(NC(=[NH2+])NCCCN2CCC[C@@H]2C(=O)N(C)C)c1	ZINC000264164739	443253997	/nfs/dbraw/zinc/25/39/97/443253997.db2.gz	BXWDUVCKWPRVOF-QGZVFWFLSA-N	1	3	345.491	1.918	20	30		EDEDHO
Cc1cccc(N2CCN(CCCCNC3=[NH+]C[C@@H](C)N3)CC2)c1	ZINC000285110412	443859259	/nfs/dbraw/zinc/85/92/59/443859259.db2.gz	PEQFHOVLOFBUGP-QGZVFWFLSA-N	1	3	329.492	1.835	20	30		EDEDHO
C[C@@H](C(=O)Nc1ccccc1C#N)N(C)CCCN(C)CC[NH+](C)C	ZINC000289399813	444130355	/nfs/dbraw/zinc/13/03/55/444130355.db2.gz	KWJLCZSJGPWMQL-INIZCTEOSA-N	1	3	345.491	1.701	20	30		EDEDHO
C[NH+]1CCC(N2CCC(NC(=O)NC[C@@](C)(O)C3CC3)CC2)CC1	ZINC000329242678	444510608	/nfs/dbraw/zinc/51/06/08/444510608.db2.gz	ONHAKEKMWNSKOR-GOSISDBHSA-N	1	3	338.496	1.210	20	30		EDEDHO
C[NH+]1CCC(N2CCC(NC(=O)NCC3=CCCOC3)CC2)CC1	ZINC000329419127	444572199	/nfs/dbraw/zinc/57/21/99/444572199.db2.gz	GMIORYMZCFHRLJ-UHFFFAOYSA-N	1	3	336.480	1.395	20	30		EDEDHO
O=C(NCCN1CCCCC1)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1	ZINC000330170837	444871536	/nfs/dbraw/zinc/87/15/36/444871536.db2.gz	DXIWMFXHMUYLHA-SJORKVTESA-N	1	3	338.496	1.354	20	30		EDEDHO
CC(C#N)C(=O)NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1	ZINC000347102118	445231801	/nfs/dbraw/zinc/23/18/01/445231801.db2.gz	HMNMQKQWYMODGF-CJNGLKHVSA-N	1	3	328.416	1.160	20	30		EDEDHO
CC(C#N)C(=O)NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1	ZINC000347102118	445231803	/nfs/dbraw/zinc/23/18/03/445231803.db2.gz	HMNMQKQWYMODGF-CJNGLKHVSA-N	1	3	328.416	1.160	20	30		EDEDHO
C#CCN1CCC(C(=O)N[C@@H]2CC[N@@H+](C[C@@H]3CCCO3)C[C@H]2C)CC1	ZINC000364547090	445930680	/nfs/dbraw/zinc/93/06/80/445930680.db2.gz	OVDIOYZMLKQAQX-NZSAHSFTSA-N	1	3	347.503	1.337	20	30		EDEDHO
C#CCN1CCC(C(=O)N[C@@H]2CC[N@H+](C[C@@H]3CCCO3)C[C@H]2C)CC1	ZINC000364547090	445930685	/nfs/dbraw/zinc/93/06/85/445930685.db2.gz	OVDIOYZMLKQAQX-NZSAHSFTSA-N	1	3	347.503	1.337	20	30		EDEDHO
C=CCN(CC=C)[C@H](CNC(=O)NC[C@H]1C[NH2+]CCCO1)C(C)C	ZINC000417064391	447732752	/nfs/dbraw/zinc/73/27/52/447732752.db2.gz	ONPUFWXDCLTRLD-IAGOWNOFSA-N	1	3	338.496	1.363	20	30		EDEDHO
C=C(C)C[NH+]1CCC(NC(=O)N[C@H]2CCCN(CCCO)C2)CC1	ZINC000458312274	447766107	/nfs/dbraw/zinc/76/61/07/447766107.db2.gz	BFVNHWPCIDGZTG-KRWDZBQOSA-N	1	3	338.496	1.173	20	30		EDEDHO
CC[NH+](CC)CC[C@@H](CO)NC(=O)C(C#N)Cc1ccc(C#N)cc1	ZINC000567365717	448678394	/nfs/dbraw/zinc/67/83/94/448678394.db2.gz	KAFNXXLHBNBATN-MSOLQXFVSA-N	1	3	342.443	1.450	20	30		EDEDHO
C[C@@H]1CN(Cc2ccccc2)C[C@@H]1C[NH2+]C[C@@H](O)CN(C)CCC#N	ZINC000601968567	449251986	/nfs/dbraw/zinc/25/19/86/449251986.db2.gz	ORYRGGLBRPRFND-YZGWKJHDSA-N	1	3	344.503	1.550	20	30		EDEDHO
C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC[C@@H](O)CN(C)CCC#N	ZINC000601968567	449251990	/nfs/dbraw/zinc/25/19/90/449251990.db2.gz	ORYRGGLBRPRFND-YZGWKJHDSA-N	1	3	344.503	1.550	20	30		EDEDHO
C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC[C@@H](O)CN(C)CCC#N	ZINC000601968567	449251996	/nfs/dbraw/zinc/25/19/96/449251996.db2.gz	ORYRGGLBRPRFND-YZGWKJHDSA-N	1	3	344.503	1.550	20	30		EDEDHO
C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCc1ccc(C#N)c(F)c1	ZINC000596625682	449576998	/nfs/dbraw/zinc/57/69/98/449576998.db2.gz	UYPHSUCZSYWKAA-AWEZNQCLSA-N	1	3	349.454	1.769	20	30		EDEDHO
C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCc1ccc(C#N)c(F)c1	ZINC000596625682	449577002	/nfs/dbraw/zinc/57/70/02/449577002.db2.gz	UYPHSUCZSYWKAA-AWEZNQCLSA-N	1	3	349.454	1.769	20	30		EDEDHO
CC(C)(C#N)C[C@@H](O)C[NH2+]CCCN1CCN(c2ccncc2)CC1	ZINC000598720207	449561773	/nfs/dbraw/zinc/56/17/73/449561773.db2.gz	LYSJUFRKWPLATQ-GOSISDBHSA-N	1	3	345.491	1.484	20	30		EDEDHO
C=CCN1CCC(NC(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)CC1	ZINC000664021697	452723156	/nfs/dbraw/zinc/72/31/56/452723156.db2.gz	ZGQAKNYMLPNVDZ-KRWDZBQOSA-N	1	3	338.496	1.389	20	30		EDEDHO
N#Cc1cccc(C2(NC[C@@H]3C[C@]4(CC[NH2+]C4)CO3)CCOCC2)c1	ZINC000903764987	592309273	/nfs/dbraw/zinc/30/92/73/592309273.db2.gz	CXPOMZVUCLURRB-OALUTQOASA-N	1	3	341.455	1.922	20	30		EDEDHO
C#CCN(C)CCCNC(=O)Nc1cccc(OCC[NH+](C)C)c1	ZINC000838624362	593197588	/nfs/dbraw/zinc/19/75/88/593197588.db2.gz	UBODCSZBWWZGPW-UHFFFAOYSA-N	1	3	332.448	1.704	20	30		EDEDHO
N#CCCC[C@@H](N)C(=O)Nc1cccc(C(=O)OC2CC[NH2+]CC2)c1	ZINC000818537497	593703970	/nfs/dbraw/zinc/70/39/70/593703970.db2.gz	OFNZDKOXCPETNC-MRXNPFEDSA-N	1	3	344.415	1.555	20	30		EDEDHO
C[C@@H](CN(C)CCC[NH+](C)C)NCc1cc(C#N)ccc1N(C)C	ZINC000865624704	596630569	/nfs/dbraw/zinc/63/05/69/596630569.db2.gz	XCPWJPTZYVCSKL-INIZCTEOSA-N	1	3	331.508	1.986	20	30		EDEDHO
C=C(Cl)C[C@@H](N)C(=O)Nc1cc(C)nn1C1CC[NH+](C)CC1	ZINC000876769050	597331539	/nfs/dbraw/zinc/33/15/39/597331539.db2.gz	QRPKEEMSHCHRNV-CYBMUJFWSA-N	1	3	325.844	1.867	20	30		EDEDHO
C#CCN1CCC(C(=O)N2CCN(c3cc[nH+]cc3)[C@@H](C)C2)CC1	ZINC000881636170	597667776	/nfs/dbraw/zinc/66/77/76/597667776.db2.gz	PTKPCARRWFWGPZ-INIZCTEOSA-N	1	3	326.444	1.464	20	30		EDEDHO
CC1(C)C[NH2+][C@H]1C1CCN(C(=O)C2CC3(C2)CNC[C@H]3C#N)CC1	ZINC000884345560	598075925	/nfs/dbraw/zinc/07/59/25/598075925.db2.gz	IWMIDYWJVIIZTJ-BHEGOAEISA-N	1	3	330.476	1.362	20	30		EDEDHO
C=C(C)CN1CCC[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@H]1C	ZINC000993359886	696005565	/nfs/dbraw/zinc/00/55/65/696005565.db2.gz	DSEQIIMKZDBIDU-CVEARBPZSA-N	1	3	333.480	1.604	20	30		EDEDHO
C[C@H]1CCN(CC(=O)N2CCC([NH2+]Cc3ccc(C#N)cc3)CC2)C1	ZINC000997007894	703265290	/nfs/dbraw/zinc/26/52/90/703265290.db2.gz	ROQAMVHKSPSFEZ-INIZCTEOSA-N	1	3	340.471	1.981	20	30		EDEDHO
C#CCCN1CC[C@H](N(CC)C(=O)c2cnn(CC[NH+](C)C)c2)C1	ZINC001033983433	709192713	/nfs/dbraw/zinc/19/27/13/709192713.db2.gz	QOZRMVOWQUSZJJ-KRWDZBQOSA-N	1	3	331.464	1.004	20	30		EDEDHO
C#CCN1CCC(C(=O)N[C@@H]2CCCC[N@H+](C[C@@H]3CCOC3)C2)CC1	ZINC001034538824	710211732	/nfs/dbraw/zinc/21/17/32/710211732.db2.gz	RSAUQUXFWRTBBA-PKOBYXMFSA-N	1	3	347.503	1.339	20	30		EDEDHO
C#CCN1CCC(C(=O)N[C@@H]2CCCC[N@@H+](C[C@@H]3CCOC3)C2)CC1	ZINC001034538824	710211733	/nfs/dbraw/zinc/21/17/33/710211733.db2.gz	RSAUQUXFWRTBBA-PKOBYXMFSA-N	1	3	347.503	1.339	20	30		EDEDHO
N#CCCC[C@@H](N)C(=O)NC1CC[NH+](CCc2ccccc2)CC1	ZINC000424139545	252139559	/nfs/dbraw/zinc/13/95/59/252139559.db2.gz	VNXVWTPJGIEPEC-GOSISDBHSA-N	1	3	328.460	1.831	20	30		EDEDHO
C[C@@H](N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)c1ccc(C#N)cc1	ZINC000423448022	269845177	/nfs/dbraw/zinc/84/51/77/269845177.db2.gz	DMJLDRWYLBPCGE-XVSDVWIESA-N	1	3	326.444	1.856	20	30		EDEDHO
C[NH+]=C(N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)NC1CCN(C2CC2)CC1	ZINC000162287691	442080669	/nfs/dbraw/zinc/08/06/69/442080669.db2.gz	NBVLOZNLFVOUQI-BBWFWOEESA-N	1	3	332.492	1.736	20	30		EDEDHO
CCCCCCNC(=[NH2+])NC[C@@H](O)CN1CCc2ccccc2C1	ZINC000264116318	443249977	/nfs/dbraw/zinc/24/99/77/443249977.db2.gz	SQKURMJSXLDQPB-GOSISDBHSA-N	1	3	332.492	1.890	20	30		EDEDHO
CC(C)(C)NC(=[NH2+])NCc1cccc(CN2CCC[C@H](C(N)=O)C2)c1	ZINC000267395075	443442439	/nfs/dbraw/zinc/44/24/39/443442439.db2.gz	DTCXOEURQBKDAM-INIZCTEOSA-N	1	3	345.491	1.587	20	30		EDEDHO
C#CCN1CCC(C(=O)N(CC[NH+](C)C)Cc2ccc(C)o2)CC1	ZINC000299614465	444095591	/nfs/dbraw/zinc/09/55/91/444095591.db2.gz	CLVDGLHNRKFCCT-UHFFFAOYSA-N	1	3	331.460	1.823	20	30		EDEDHO
CC(C)C[N@@H+]1CC[C@H](CNC([O-])=[NH+]C[C@H]2CCc3nccn3C2)C1	ZINC000329901398	444760468	/nfs/dbraw/zinc/76/04/68/444760468.db2.gz	GWSOWYPPVUYFEF-HZPDHXFCSA-N	1	3	333.480	1.927	20	30		EDEDHO
CC(C)C[N@H+]1CC[C@H](CNC([O-])=[NH+]C[C@H]2CCc3nccn3C2)C1	ZINC000329901398	444760470	/nfs/dbraw/zinc/76/04/70/444760470.db2.gz	GWSOWYPPVUYFEF-HZPDHXFCSA-N	1	3	333.480	1.927	20	30		EDEDHO
CCCN1CCN(C2CC[NH+](CCC(=O)N(C)CCC#N)CC2)CC1	ZINC000371444510	446859465	/nfs/dbraw/zinc/85/94/65/446859465.db2.gz	YUWCLAABYOXIKQ-UHFFFAOYSA-N	1	3	349.523	1.241	20	30		EDEDHO
C=CCN1CC[C@@H](N2CCC(C)(C[NH+]3CCN(C)CC3)CC2)C1=O	ZINC000375612185	446924379	/nfs/dbraw/zinc/92/43/79/446924379.db2.gz	JGKUFTSPVZKCNO-QGZVFWFLSA-N	1	3	334.508	1.123	20	30		EDEDHO
C=CCN1CCC(NC(=O)[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1	ZINC000531296209	448056911	/nfs/dbraw/zinc/05/69/11/448056911.db2.gz	YVGFRDXLESVVLV-FQEVSTJZSA-N	1	3	343.471	1.390	20	30		EDEDHO
C=CCN1CCC(NC(=O)[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1	ZINC000531296209	448056918	/nfs/dbraw/zinc/05/69/18/448056918.db2.gz	YVGFRDXLESVVLV-FQEVSTJZSA-N	1	3	343.471	1.390	20	30		EDEDHO
C[C@H]([NH2+]C[C@@H](O)CN(C)CCC#N)[C@@H]1CCN(Cc2ccccc2)C1	ZINC000582482703	448249790	/nfs/dbraw/zinc/24/97/90/448249790.db2.gz	QTONBCXSEZZZOR-DFQSSKMNSA-N	1	3	344.503	1.693	20	30		EDEDHO
C[C@H](NC[C@@H](O)CN(C)CCC#N)[C@@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000582482703	448249796	/nfs/dbraw/zinc/24/97/96/448249796.db2.gz	QTONBCXSEZZZOR-DFQSSKMNSA-N	1	3	344.503	1.693	20	30		EDEDHO
C[C@H](NC[C@@H](O)CN(C)CCC#N)[C@@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000582482703	448249798	/nfs/dbraw/zinc/24/97/98/448249798.db2.gz	QTONBCXSEZZZOR-DFQSSKMNSA-N	1	3	344.503	1.693	20	30		EDEDHO
C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@H](C)Oc1ccc(C#N)cc1	ZINC000597942307	449152807	/nfs/dbraw/zinc/15/28/07/449152807.db2.gz	LJGOOHWHWBMVPQ-HOTGVXAUSA-N	1	3	346.475	1.714	20	30		EDEDHO
C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@H](C)Oc1ccc(C#N)cc1	ZINC000597942307	449152810	/nfs/dbraw/zinc/15/28/10/449152810.db2.gz	LJGOOHWHWBMVPQ-HOTGVXAUSA-N	1	3	346.475	1.714	20	30		EDEDHO
C[C@H](N)[C@H]1COCC[C@@H]1[NH2+]C1CCN(Cc2cccc(C#N)c2)CC1	ZINC000593324021	449227042	/nfs/dbraw/zinc/22/70/42/449227042.db2.gz	VUOAZLWAQGPVHV-BEVDRBHNSA-N	1	3	342.487	1.865	20	30		EDEDHO
C[C@H]([NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)C1CCN(C)CC1	ZINC000617098395	449460396	/nfs/dbraw/zinc/46/03/96/449460396.db2.gz	KFHUXPXKZFZWPU-KXBFYZLASA-N	1	3	340.471	1.979	20	30		EDEDHO
N#CCCCC[C@@H]([NH3+])C(=O)NCC1(N2CCSCC2)CCCC1	ZINC000594440965	449519952	/nfs/dbraw/zinc/51/99/52/449519952.db2.gz	KEYBISRIPIDNNY-OAHLLOKOSA-N	1	3	338.521	1.875	20	30		EDEDHO
CCN1CCC[C@@H]1CNC(=[NH2+])NCc1nn(C)cc1Br	ZINC000263046875	535549959	/nfs/dbraw/zinc/54/99/59/535549959.db2.gz	DBXYBSCCRSFICV-SNVBAGLBSA-N	1	3	343.273	1.071	20	30		EDEDHO
C#CC[NH+]1CCC(C(=O)NC2(C(F)(F)F)CCN(CC)CC2)CC1	ZINC000891206556	591000922	/nfs/dbraw/zinc/00/09/22/591000922.db2.gz	VMPYYVWGETWXNM-UHFFFAOYSA-N	1	3	345.409	1.865	20	30		EDEDHO
C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCc1nc(C#N)cs1	ZINC000895667009	591247275	/nfs/dbraw/zinc/24/72/75/591247275.db2.gz	VTQIGJAIYPIVCL-LBPRGKRZSA-N	1	3	338.481	1.086	20	30		EDEDHO
C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCc1nc(C#N)cs1	ZINC000895667009	591247277	/nfs/dbraw/zinc/24/72/77/591247277.db2.gz	VTQIGJAIYPIVCL-LBPRGKRZSA-N	1	3	338.481	1.086	20	30		EDEDHO
CC(C)(C[NH3+])C1CCN(C[C@@H](O)COc2ccc(C#N)cc2)CC1	ZINC000903790819	592315719	/nfs/dbraw/zinc/31/57/19/592315719.db2.gz	BXPPJPAEZFHJOD-QGZVFWFLSA-N	1	3	331.460	1.995	20	30		EDEDHO
CN(C)C(=O)CC[NH+]1CCC(NC[C@H](O)c2ccc(C#N)cc2)CC1	ZINC000819042457	593735269	/nfs/dbraw/zinc/73/52/69/593735269.db2.gz	INIWDYNIBSZVIH-SFHVURJKSA-N	1	3	344.459	1.124	20	30		EDEDHO
C[NH+]1CCC(CNC(=O)[C@H](N)CCCC#N)(c2ccccc2)CC1	ZINC000877224642	597466353	/nfs/dbraw/zinc/46/63/53/597466353.db2.gz	LNYAFGBXHWGAOR-QGZVFWFLSA-N	1	3	328.460	1.787	20	30		EDEDHO
N#Cc1cc(CN2CCC[C@@H]2CO)cc(C[N@@H+]2CCC[C@@H]2CO)c1	ZINC000877998755	597568829	/nfs/dbraw/zinc/56/88/29/597568829.db2.gz	DJQKKQZCDSRXDK-RTBURBONSA-N	1	3	329.444	1.472	20	30		EDEDHO
N#Cc1cc(CN2CCC[C@@H]2CO)cc(C[N@H+]2CCC[C@@H]2CO)c1	ZINC000877998755	597568830	/nfs/dbraw/zinc/56/88/30/597568830.db2.gz	DJQKKQZCDSRXDK-RTBURBONSA-N	1	3	329.444	1.472	20	30		EDEDHO
C#CC1(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CCCC1	ZINC000883249164	597694268	/nfs/dbraw/zinc/69/42/68/597694268.db2.gz	VRPWITDYCGINHG-UHFFFAOYSA-N	1	3	332.492	1.790	20	30		EDEDHO
C[C@@H]1CN(CCCCNC(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)C[C@H](C)O1	ZINC000884196088	598023679	/nfs/dbraw/zinc/02/36/79/598023679.db2.gz	HMOMKNBOHVERNW-UIEBLEIFSA-N	1	3	348.491	1.131	20	30		EDEDHO
C=CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CN3CC4CC3(C4)CO2)C(C)(C)C1	ZINC000940902162	700976831	/nfs/dbraw/zinc/97/68/31/700976831.db2.gz	YATMUXNUGYISKA-ASPXRTSYSA-N	1	3	347.503	1.642	20	30		EDEDHO
C=CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CN3CC4CC3(C4)CO2)C(C)(C)C1	ZINC000940902162	700976832	/nfs/dbraw/zinc/97/68/32/700976832.db2.gz	YATMUXNUGYISKA-ASPXRTSYSA-N	1	3	347.503	1.642	20	30		EDEDHO
C=C(Br)C[NH2+]C1CCN(C(=O)CN2CCC[C@H]2C)CC1	ZINC000996996155	703251855	/nfs/dbraw/zinc/25/18/55/703251855.db2.gz	VPEUARWPUNOIPN-CYBMUJFWSA-N	1	3	344.297	1.960	20	30		EDEDHO
CC#CC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CN3CC4CC3(C4)CO2)CC1	ZINC000997228421	703504204	/nfs/dbraw/zinc/50/42/04/703504204.db2.gz	IZEGCZUQBDBXCR-XDAPHXNSSA-N	1	3	345.487	1.090	20	30		EDEDHO
C#CCN1CCC(C(=O)N[C@H]2CC[N@@H+](CCC3CC3)C[C@H]2C)CC1	ZINC000945179377	705211279	/nfs/dbraw/zinc/21/12/79/705211279.db2.gz	HSKATWPIVFAUIB-APWZRJJASA-N	1	3	331.504	1.958	20	30		EDEDHO
C#CCN1CCC(C(=O)N[C@H]2CC[N@H+](CCC3CC3)C[C@H]2C)CC1	ZINC000945179377	705211282	/nfs/dbraw/zinc/21/12/82/705211282.db2.gz	HSKATWPIVFAUIB-APWZRJJASA-N	1	3	331.504	1.958	20	30		EDEDHO
CN1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2ccc(F)c(C#N)c2)C1	ZINC000998721656	706152957	/nfs/dbraw/zinc/15/29/57/706152957.db2.gz	NFPLDCVWZRSYTI-WMZOPIPTSA-N	1	3	344.434	1.872	20	30		EDEDHO
CN1CCCN(CCC[NH2+][C@@H]2CCC[C@@H]3O[C@@H](CC#N)C[C@H]32)CC1	ZINC000373224369	250235273	/nfs/dbraw/zinc/23/52/73/250235273.db2.gz	SQJDQJUZDUCFCP-OKYOBFRVSA-N	1	3	334.508	1.843	20	30		EDEDHO
CN1CCC(C[NH2+]C2CCC(C)(C#N)CC2)(N2CCOCC2)CC1	ZINC000333900812	289878520	/nfs/dbraw/zinc/87/85/20/289878520.db2.gz	BOIZWIVGKSHBNJ-UHFFFAOYSA-N	1	3	334.508	1.845	20	30		EDEDHO
C[C@H](CNC1=[NH+]C[C@H]2CN(C(=O)OC(C)(C)C)CCN12)CN(C)C	ZINC000496240688	298246282	/nfs/dbraw/zinc/24/62/82/298246282.db2.gz	YCTPVMOUNMONSA-KGLIPLIRSA-N	1	3	339.484	1.065	20	30		EDEDHO
CN(CCCN1CCN(C)CC1)CC(=O)Nc1cccc(C#N)c1	ZINC000174722950	441960127	/nfs/dbraw/zinc/96/01/27/441960127.db2.gz	IIGSMBYCLLIMFQ-UHFFFAOYSA-N	1	3	329.448	1.066	20	30		EDEDHO
CCN1CCC[C@H]1CNC(=[NH2+])NCc1cccnc1-n1cccn1	ZINC000170912247	442286971	/nfs/dbraw/zinc/28/69/71/442286971.db2.gz	ASUNKYOPEVGKJC-HNNXBMFYSA-N	1	3	327.436	1.156	20	30		EDEDHO
CN(C)CCNC(=O)c1cccc(CNC(=[NH2+])Nc2ccccn2)c1	ZINC000170912139	442287084	/nfs/dbraw/zinc/28/70/84/442287084.db2.gz	AHCQHNBVANBGBL-UHFFFAOYSA-N	1	3	340.431	1.300	20	30		EDEDHO
CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@H](CO)Cc1ccc(F)cc1	ZINC000264128165	443250537	/nfs/dbraw/zinc/25/05/37/443250537.db2.gz	WXVSMLCAQYPNMT-NVXWUHKLSA-N	1	3	336.455	1.365	20	30		EDEDHO
CCN1CCC[C@@H]1CNC(=[NH2+])NCCOc1ccc(F)c(F)c1	ZINC000267447649	443460168	/nfs/dbraw/zinc/46/01/68/443460168.db2.gz	QMHMADKSFFJFFS-GFCCVEGCSA-N	1	3	326.391	1.732	20	30		EDEDHO
C#CCN1CCC(C(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)CC1	ZINC000305100227	444257508	/nfs/dbraw/zinc/25/75/08/444257508.db2.gz	BEJXLKBFVROPAI-OALUTQOASA-N	1	3	347.503	1.216	20	30		EDEDHO
Oc1cccc2c1C[C@H](NCC#CC[NH2+][C@@H]1Cc3cccc(O)c3C1)C2	ZINC000551735408	447906874	/nfs/dbraw/zinc/90/68/74/447906874.db2.gz	INDOSAYNCVJWFJ-QZTJIDSGSA-N	1	3	348.446	1.915	20	30		EDEDHO
C#CC[NH+]1CCC(C(=O)N[C@@H](CN(C)C)c2ccc(F)cc2)CC1	ZINC000491654001	448072192	/nfs/dbraw/zinc/07/21/92/448072192.db2.gz	DKPXNXWCAOPGHJ-SFHVURJKSA-N	1	3	331.435	1.890	20	30		EDEDHO
C=CCN1CCC(NC(=O)N2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)CC1	ZINC000626969815	451041599	/nfs/dbraw/zinc/04/15/99/451041599.db2.gz	APSHSABEBOUVCB-OCCSQVGLSA-N	1	3	348.413	1.806	20	30		EDEDHO
CCN1CCC[C@H]1CNC(=[NH2+])NCc1csc([C@H](C)OC)n1	ZINC000267626134	535596960	/nfs/dbraw/zinc/59/69/60/535596960.db2.gz	GSDGHAXXXGECNE-AAEUAGOBSA-N	1	3	325.482	1.739	20	30		EDEDHO
Cc1c(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)cnn1CCC#N	ZINC000898585466	591423230	/nfs/dbraw/zinc/42/32/30/591423230.db2.gz	YORRISPBALKVOR-AWEZNQCLSA-N	1	3	334.468	1.107	20	30		EDEDHO
Cc1c(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)cnn1CCC#N	ZINC000898585466	591423234	/nfs/dbraw/zinc/42/32/34/591423234.db2.gz	YORRISPBALKVOR-AWEZNQCLSA-N	1	3	334.468	1.107	20	30		EDEDHO
C=C(CC[NH+](C)C)C(=O)N(C)C[C@]1(O)CCN(Cc2ccccc2)C1	ZINC000907555294	592705475	/nfs/dbraw/zinc/70/54/75/592705475.db2.gz	UPBNEXCVLBZZKU-HXUWFJFHSA-N	1	3	345.487	1.590	20	30		EDEDHO
C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)C#CC2CC[NH2+]CC2)C1	ZINC000852862650	595583213	/nfs/dbraw/zinc/58/32/13/595583213.db2.gz	ICTHLHHCZCALFB-VQIMIIECSA-N	1	3	325.456	1.941	20	30		EDEDHO
C=C(C)CCN1CC(N2CCN(C(=O)C[N@H+]3CCC[C@H]3C)CC2)C1	ZINC000941566302	701585145	/nfs/dbraw/zinc/58/51/45/701585145.db2.gz	AUIUEQDOERNGDU-QGZVFWFLSA-N	1	3	334.508	1.265	20	30		EDEDHO
C=C(C)CCN1CC(N2CCN(C(=O)C[N@@H+]3CCC[C@H]3C)CC2)C1	ZINC000941566302	701585146	/nfs/dbraw/zinc/58/51/46/701585146.db2.gz	AUIUEQDOERNGDU-QGZVFWFLSA-N	1	3	334.508	1.265	20	30		EDEDHO
CC#CCN1CC[C@@H](NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C(C)(C)C1	ZINC000940901838	700976628	/nfs/dbraw/zinc/97/66/28/700976628.db2.gz	QXZIHSNPFLCLRM-ZEVUXNIQSA-N	1	3	345.487	1.090	20	30		EDEDHO
CC#CCN1CC[C@@H](NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C(C)(C)C1	ZINC000940901838	700976629	/nfs/dbraw/zinc/97/66/29/700976629.db2.gz	QXZIHSNPFLCLRM-ZEVUXNIQSA-N	1	3	345.487	1.090	20	30		EDEDHO
C#CCN1CCC(C(=O)N[C@@H]2CC[N@@H+]([C@@H](C)COC)CC2(C)C)CC1	ZINC000941236848	701427564	/nfs/dbraw/zinc/42/75/64/701427564.db2.gz	BOHMDDJJEBCQIA-FUHWJXTLSA-N	1	3	349.519	1.583	20	30		EDEDHO
C#CCN1CCC(C(=O)N[C@@H]2CC[N@H+]([C@@H](C)COC)CC2(C)C)CC1	ZINC000941236848	701427565	/nfs/dbraw/zinc/42/75/65/701427565.db2.gz	BOHMDDJJEBCQIA-FUHWJXTLSA-N	1	3	349.519	1.583	20	30		EDEDHO
C#CCN1CC[NH+](C2CCC(NC(=O)CN3CC[C@H](C)C3)CC2)CC1	ZINC000996788781	703081335	/nfs/dbraw/zinc/08/13/35/703081335.db2.gz	LCGIKNQPAQBKQP-VIQWUECVSA-N	1	3	346.519	1.006	20	30		EDEDHO
C#CCN1CCC(C(=O)NC2CC[NH+](CC[C@@H]3CCCO3)CC2)CC1	ZINC001004200539	703927128	/nfs/dbraw/zinc/92/71/28/703927128.db2.gz	CMMKLNICSZOHMN-IBGZPJMESA-N	1	3	347.503	1.481	20	30		EDEDHO
C[NH+]1CCC(N2CCC(NC(=O)NC[C@@]3(C)CCOC3)CC2)CC1	ZINC000329383616	539432545	/nfs/dbraw/zinc/43/25/45/539432545.db2.gz	OYDLLQJVRBPVGL-GOSISDBHSA-N	1	3	338.496	1.475	20	30		EDEDHO
C[NH+]1CCC(N2CCC(NC(=O)c3cccc(C#N)c3)CC2)CC1	ZINC000050801598	201125608	/nfs/dbraw/zinc/12/56/08/201125608.db2.gz	JUOZWRKALJCDRT-UHFFFAOYSA-N	1	3	326.444	1.847	20	30		EDEDHO
CC[C@H](CNC(=O)[C@H]([NH3+])CCCC#N)N1CCc2ccccc2C1	ZINC000424132922	252136077	/nfs/dbraw/zinc/13/60/77/252136077.db2.gz	LHERRYCZBKMTEZ-QZTJIDSGSA-N	1	3	328.460	1.961	20	30		EDEDHO
C[C@H]([NH2+]CCCCN1CCN(CCO)CC1)c1ccc(C#N)c(F)c1	ZINC000346128889	143170522	/nfs/dbraw/zinc/17/05/22/143170522.db2.gz	FFVQUHMSEBECCT-INIZCTEOSA-N	1	3	348.466	1.738	20	30		EDEDHO
C[C@@H]([NH2+]CCCN1CCC[C@@H](C(N)=O)C1)c1ccc(C#N)c(F)c1	ZINC000346216393	143179829	/nfs/dbraw/zinc/17/98/29/143179829.db2.gz	SURJWNIUHTYDAT-CZUORRHYSA-N	1	3	332.423	1.935	20	30		EDEDHO
N#Cc1ccc2c(c1)[C@@H](NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)CC2	ZINC000423380950	270012221	/nfs/dbraw/zinc/01/22/21/270012221.db2.gz	FCARJHOSTMQURA-HOTGVXAUSA-N	1	3	338.377	1.971	20	30		EDEDHO
CCN1CCN(CCC[NH2+][C@@H]2CCC[C@@H]3O[C@@H](CC#N)C[C@H]32)CC1	ZINC000376161823	279357409	/nfs/dbraw/zinc/35/74/09/279357409.db2.gz	JWVGJCFJIPGINN-OKYOBFRVSA-N	1	3	334.508	1.843	20	30		EDEDHO
CN(C)CCOc1cc(C(=O)N(CCC#N)CCC[NH+](C)C)ccn1	ZINC000272701236	443414190	/nfs/dbraw/zinc/41/41/90/443414190.db2.gz	SBPUSGGQEVXUAO-UHFFFAOYSA-N	1	3	347.463	1.330	20	30		EDEDHO
C#CCN1CCC(C(=O)NCc2cccc(OCC[NH+](C)C)c2)CC1	ZINC000299160027	443971401	/nfs/dbraw/zinc/97/14/01/443971401.db2.gz	OPWWXGZGIVGCCT-UHFFFAOYSA-N	1	3	343.471	1.588	20	30		EDEDHO
CC(C#N)C(=O)N1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1	ZINC000342111266	445177581	/nfs/dbraw/zinc/17/75/81/445177581.db2.gz	KJSAGVBYPMBEQZ-AEFFLSMTSA-N	1	3	326.444	1.565	20	30		EDEDHO
CC(C#N)C(=O)N1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1	ZINC000342111266	445177585	/nfs/dbraw/zinc/17/75/85/445177585.db2.gz	KJSAGVBYPMBEQZ-AEFFLSMTSA-N	1	3	326.444	1.565	20	30		EDEDHO
CN1CCN(CC[NH2+][C@@H]2CCC[C@@H]3O[C@H](CC#N)C[C@@H]32)CC1(C)C	ZINC000374241570	446359864	/nfs/dbraw/zinc/35/98/64/446359864.db2.gz	NZWRVKHKQUXPSH-TVFCKZIOSA-N	1	3	334.508	1.842	20	30		EDEDHO
C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1	ZINC000418541487	446586603	/nfs/dbraw/zinc/58/66/03/446586603.db2.gz	AZIRXEIZHNDVLG-YJBOKZPZSA-N	1	3	343.475	1.772	20	30		EDEDHO
CN(CCC#N)C[C@@H](O)CNCc1ccc(C[NH+]2CCCCC2)cc1	ZINC000556865577	448167947	/nfs/dbraw/zinc/16/79/47/448167947.db2.gz	DBNHISBDAUHJQR-FQEVSTJZSA-N	1	3	344.503	1.968	20	30		EDEDHO
C=CCN(CCN1CC[NH2+]CC1)[C@@H](C)c1cccc(-n2cnnn2)c1	ZINC000567896526	448780875	/nfs/dbraw/zinc/78/08/75/448780875.db2.gz	YJNJPPFBOUOJHY-INIZCTEOSA-N	1	3	341.463	1.117	20	30		EDEDHO
C[C@H]1CCN(CC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)C1	ZINC000594239558	449405802	/nfs/dbraw/zinc/40/58/02/449405802.db2.gz	RNLULFYENLEQJR-INIZCTEOSA-N	1	3	328.460	1.790	20	30		EDEDHO
C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCc1ccc(C#N)cc1F	ZINC000596271272	449448351	/nfs/dbraw/zinc/44/83/51/449448351.db2.gz	YRTOITZYYMUDFW-AWEZNQCLSA-N	1	3	349.454	1.769	20	30		EDEDHO
C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCc1ccc(C#N)cc1F	ZINC000596271272	449448356	/nfs/dbraw/zinc/44/83/56/449448356.db2.gz	YRTOITZYYMUDFW-AWEZNQCLSA-N	1	3	349.454	1.769	20	30		EDEDHO
CCN1CCC[C@H]1CNC(=[NH2+])NCc1ccc2c(c1)OCCCO2	ZINC000104181651	529100862	/nfs/dbraw/zinc/10/08/62/529100862.db2.gz	BYROJYKUKXUSPB-HNNXBMFYSA-N	1	3	332.448	1.737	20	30		EDEDHO
C#CCOc1ccc([C@@H](C)[NH2+]CCCN2CCC[C@@H](C(N)=O)C2)cc1	ZINC000765796025	580151493	/nfs/dbraw/zinc/15/14/93/580151493.db2.gz	IKJYFECXKBTFQZ-SJLPKXTDSA-N	1	3	343.471	1.937	20	30		EDEDHO
C[C@H]([NH2+]CCCN1CCC[C@@H](C(N)=O)C1)c1ccc(OCC#N)cc1	ZINC000776157871	580409928	/nfs/dbraw/zinc/40/99/28/580409928.db2.gz	UEGWHZRPONVGAT-DOTOQJQBSA-N	1	3	344.459	1.827	20	30		EDEDHO
N#Cc1ccc(N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CCNCC2)cc1[N+](=O)[O-]	ZINC000905700363	592613817	/nfs/dbraw/zinc/61/38/17/592613817.db2.gz	GDCWGFPBPHHABH-CALCHBBNSA-N	1	3	341.415	1.871	20	30		EDEDHO
N#Cc1ccc(N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CCNCC2)cc1[N+](=O)[O-]	ZINC000905700363	592613818	/nfs/dbraw/zinc/61/38/18/592613818.db2.gz	GDCWGFPBPHHABH-CALCHBBNSA-N	1	3	341.415	1.871	20	30		EDEDHO
N#Cc1cccc(N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CCNCC2)c1[N+](=O)[O-]	ZINC000905702078	592615308	/nfs/dbraw/zinc/61/53/08/592615308.db2.gz	TZLBNTLNDSXHMO-IYBDPMFKSA-N	1	3	341.415	1.871	20	30		EDEDHO
N#Cc1cccc(N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CCNCC2)c1[N+](=O)[O-]	ZINC000905702078	592615309	/nfs/dbraw/zinc/61/53/09/592615309.db2.gz	TZLBNTLNDSXHMO-IYBDPMFKSA-N	1	3	341.415	1.871	20	30		EDEDHO
CCc1ccc([C@@H](CNC(=O)C#CC2CC[NH2+]CC2)N(C)C)cc1	ZINC000852855462	595578141	/nfs/dbraw/zinc/57/81/41/595578141.db2.gz	ZKKRFULQFDCNKX-LJQANCHMSA-N	1	3	327.472	1.971	20	30		EDEDHO
C=C(C)CCN1CC(N2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)CC2)C1	ZINC000941410370	701516889	/nfs/dbraw/zinc/51/68/89/701516889.db2.gz	FCXHVIHFTPNMQT-LJQANCHMSA-N	1	3	346.519	1.123	20	30		EDEDHO
C#CCN1CC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)[C@@H](C)C1	ZINC000942718218	703231963	/nfs/dbraw/zinc/23/19/63/703231963.db2.gz	DBQSUIICOPHZBN-LPHOPBHVSA-N	1	3	327.472	1.864	20	30		EDEDHO
CC#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CN4CCC[C@@H]4CO3)CC[C@@H]2C1	ZINC000946597962	704309066	/nfs/dbraw/zinc/30/90/66/704309066.db2.gz	SCUQFUNPLFROKZ-FCGDIQPGSA-N	1	3	345.487	1.043	20	30		EDEDHO
CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CN4CCC[C@@H]4CO3)CC[C@@H]2C1	ZINC000946597962	704309070	/nfs/dbraw/zinc/30/90/70/704309070.db2.gz	SCUQFUNPLFROKZ-FCGDIQPGSA-N	1	3	345.487	1.043	20	30		EDEDHO
C#CCN1CCC(C(=O)N(C)C2CC([NH2+]Cc3cnoc3C)C2)CC1	ZINC000999869762	707511810	/nfs/dbraw/zinc/51/18/10/707511810.db2.gz	GRDPFBLLFASRGG-UHFFFAOYSA-N	1	3	344.459	1.407	20	30		EDEDHO
CN1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1cccc(C#N)c1	ZINC001034882367	711283234	/nfs/dbraw/zinc/28/32/34/711283234.db2.gz	VZRHVLLPUXMTMP-QZTJIDSGSA-N	1	3	326.444	1.733	20	30		EDEDHO
CC(C#N)C(=O)N1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1	ZINC000346125529	250040821	/nfs/dbraw/zinc/04/08/21/250040821.db2.gz	GTRFLYYWTXGOLJ-HNNXBMFYSA-N	1	3	334.464	1.377	20	30		EDEDHO
C[NH+]=C(NCc1cccc(N(C)C)n1)N[C@H]1CN(C(C)C)C[C@H]1C	ZINC000158483917	441739220	/nfs/dbraw/zinc/73/92/20/441739220.db2.gz	XSJNVANNQZHGAW-ZBFHGGJFSA-N	1	3	332.496	1.541	20	30		EDEDHO
CC[NH+]=C(NCc1cn[nH]c1C)N1CC[C@H](C)[C@H](n2ccnc2)C1	ZINC000261963955	443176083	/nfs/dbraw/zinc/17/60/83/443176083.db2.gz	LAUUVTQVQUNQDP-XJKSGUPXSA-N	1	3	329.452	1.963	20	30		EDEDHO
C[NH+]=C(NC[C@]1(O)CCc2ccccc21)N[C@H]1CN(C(C)C)C[C@H]1C	ZINC000262005235	443179005	/nfs/dbraw/zinc/17/90/05/443179005.db2.gz	VLKKWEFKLPZRCH-MOXGXCLJSA-N	1	3	344.503	1.714	20	30		EDEDHO
COc1ccc(CNC(=[NH2+])NCCN2CCCCCC2)cc1OC	ZINC000264135444	443252522	/nfs/dbraw/zinc/25/25/22/443252522.db2.gz	ZOJPUWDVCNNIRY-UHFFFAOYSA-N	1	3	334.464	1.984	20	30		EDEDHO
C=CCN(CC=C)C(=O)C[NH2+][C@H]1CCN(CCCOCC)C[C@@H]1C	ZINC000274847468	443612831	/nfs/dbraw/zinc/61/28/31/443612831.db2.gz	OCAJLCYVXDRFTN-ROUUACIJSA-N	1	3	337.508	1.914	20	30		EDEDHO
CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CC(=O)Nc2ccccc21	ZINC000304807940	444253633	/nfs/dbraw/zinc/25/36/33/444253633.db2.gz	UEWRBOJYYAVKGR-ZIAGYGMSSA-N	1	3	329.448	1.501	20	30		EDEDHO
CCOC(=O)N1CCC(NC(=[NH2+])NCC(C)(C)CN(C)C)CC1	ZINC000303719899	444237845	/nfs/dbraw/zinc/23/78/45/444237845.db2.gz	WEDWXKTWUUBJNT-UHFFFAOYSA-N	1	3	327.473	1.099	20	30		EDEDHO
CCN1CCC[C@@H]1CNC(=[NH2+])NCC(=O)N1CCc2sccc2C1	ZINC000303971450	444238161	/nfs/dbraw/zinc/23/81/61/444238161.db2.gz	DTDBEHZBZTYRBG-CQSZACIVSA-N	1	3	349.504	1.021	20	30		EDEDHO
C(#CC[N@@H+]1CCC[C@@H]2COCC[C@@H]21)CN1CCC[C@@H]2COCC[C@@H]21	ZINC000341893412	445057492	/nfs/dbraw/zinc/05/74/92/445057492.db2.gz	HURKQNCWBBVRIT-ZRNYENFQSA-N	1	3	332.488	1.992	20	30		EDEDHO
C(#CC[N@H+]1CCC[C@@H]2COCC[C@@H]21)CN1CCC[C@@H]2COCC[C@@H]21	ZINC000341893412	445057496	/nfs/dbraw/zinc/05/74/96/445057496.db2.gz	HURKQNCWBBVRIT-ZRNYENFQSA-N	1	3	332.488	1.992	20	30		EDEDHO
C[C@H](C(=O)N(C)CCC#N)N1CCC2(C[C@@H]2C[N@H+](C)C2CC2)CC1	ZINC000367309820	446535385	/nfs/dbraw/zinc/53/53/85/446535385.db2.gz	KYGHXLPUWHLENS-HZPDHXFCSA-N	1	3	332.492	1.943	20	30		EDEDHO
C[C@H](C(=O)N(C)CCC#N)N1CCC2(C[C@@H]2C[N@@H+](C)C2CC2)CC1	ZINC000367309820	446535393	/nfs/dbraw/zinc/53/53/93/446535393.db2.gz	KYGHXLPUWHLENS-HZPDHXFCSA-N	1	3	332.492	1.943	20	30		EDEDHO
CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CC[C@@H](C[NH3+])C1	ZINC000418785109	446701224	/nfs/dbraw/zinc/70/12/24/446701224.db2.gz	HNHLCDBZISYRML-MSOLQXFVSA-N	1	3	343.475	1.759	20	30		EDEDHO
C=C(C)C[NH+]1CCC(NC(=O)Nc2cnc3c(c2)CNCC3)CC1	ZINC000667795879	486968708	/nfs/dbraw/zinc/96/87/08/486968708.db2.gz	SXZXQQWNYSBCPB-UHFFFAOYSA-N	1	3	329.448	1.889	20	30		EDEDHO
CCN1CCC[C@@H]1CNC(=[NH2+])NCc1ccnc(-n2cccn2)c1	ZINC000104164106	529073168	/nfs/dbraw/zinc/07/31/68/529073168.db2.gz	GZXCPBBLLMLGBD-OAHLLOKOSA-N	1	3	327.436	1.156	20	30		EDEDHO
CCN1CCC[C@@H]1CNC(=[NH2+])NCc1ccc2c(c1)CCCN2C	ZINC000104181977	529073660	/nfs/dbraw/zinc/07/36/60/529073660.db2.gz	GTDQPIRNQDURTC-QGZVFWFLSA-N	1	3	329.492	1.958	20	30		EDEDHO
C#CCN1CCC(C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)CC1	ZINC000733160650	578746181	/nfs/dbraw/zinc/74/61/81/578746181.db2.gz	RGKXSVHLUSADSN-GOSISDBHSA-N	1	3	333.476	1.091	20	30		EDEDHO
C#CCN1CCC[C@H]1C(=O)N1CCC([NH+]2CCN(C(C)C)CC2)CC1	ZINC000761036896	580045236	/nfs/dbraw/zinc/04/52/36/580045236.db2.gz	HJOUJIYCXMOYJH-IBGZPJMESA-N	1	3	346.519	1.101	20	30		EDEDHO
C#CCN1CCC[C@H]1C(=O)N1CCC(N2CC[NH+](C(C)C)CC2)CC1	ZINC000761036896	580045237	/nfs/dbraw/zinc/04/52/37/580045237.db2.gz	HJOUJIYCXMOYJH-IBGZPJMESA-N	1	3	346.519	1.101	20	30		EDEDHO
C#Cc1ccc(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cc1	ZINC000896005024	591321598	/nfs/dbraw/zinc/32/15/98/591321598.db2.gz	WLOYUECQUJEXPQ-UHFFFAOYSA-N	1	3	325.456	1.956	20	30		EDEDHO
C=C(CC[NH+](C)C)C(=O)NCc1cccc(C(=O)NCCN(C)C)c1	ZINC000900529499	592048166	/nfs/dbraw/zinc/04/81/66/592048166.db2.gz	SMHOBAIOIZTJKD-UHFFFAOYSA-N	1	3	346.475	1.102	20	30		EDEDHO
C=CCN(CC=C)[C@H](CNC(=O)C[C@]1(O)CCC[N@H+](C)C1)C(C)C	ZINC000900691456	592096444	/nfs/dbraw/zinc/09/64/44/592096444.db2.gz	YAYLROXDYCJKSF-IEBWSBKVSA-N	1	3	337.508	1.648	20	30		EDEDHO
C=CCN(CC=C)[C@H](CNC(=O)C[C@]1(O)CCC[N@@H+](C)C1)C(C)C	ZINC000900691456	592096445	/nfs/dbraw/zinc/09/64/45/592096445.db2.gz	YAYLROXDYCJKSF-IEBWSBKVSA-N	1	3	337.508	1.648	20	30		EDEDHO
C#C[C@H](NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c1ccccc1	ZINC000820086708	593789873	/nfs/dbraw/zinc/78/98/73/593789873.db2.gz	JVKHYPGRSVIHBC-WMZOPIPTSA-N	1	3	330.476	1.932	20	30		EDEDHO
C#C[C@H](NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c1ccccc1	ZINC000820086708	593789874	/nfs/dbraw/zinc/78/98/74/593789874.db2.gz	JVKHYPGRSVIHBC-WMZOPIPTSA-N	1	3	330.476	1.932	20	30		EDEDHO
C#CCC[C@@H](O)CNC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1	ZINC000848035354	595308502	/nfs/dbraw/zinc/30/85/02/595308502.db2.gz	SNHIUMMKBFELOE-GOSISDBHSA-N	1	3	335.492	1.073	20	30		EDEDHO
C=C(Br)CNC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C	ZINC000853502777	595771877	/nfs/dbraw/zinc/77/18/77/595771877.db2.gz	JLOPAGSLNFHOJP-LBPRGKRZSA-N	1	3	335.290	1.466	20	30		EDEDHO
C=C(Br)CNC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C	ZINC000853502777	595771880	/nfs/dbraw/zinc/77/18/80/595771880.db2.gz	JLOPAGSLNFHOJP-LBPRGKRZSA-N	1	3	335.290	1.466	20	30		EDEDHO
CCN(C)Cc1cc(O[C@@H]2CC[N@H+](CCO[C@H](C)C#N)C2)ccn1	ZINC000856584491	596020388	/nfs/dbraw/zinc/02/03/88/596020388.db2.gz	KYWMKXZLUCWXCC-CRAIPNDOSA-N	1	3	332.448	1.915	20	30		EDEDHO
CCN(C)Cc1cc(O[C@@H]2CC[N@@H+](CCO[C@H](C)C#N)C2)ccn1	ZINC000856584491	596020390	/nfs/dbraw/zinc/02/03/90/596020390.db2.gz	KYWMKXZLUCWXCC-CRAIPNDOSA-N	1	3	332.448	1.915	20	30		EDEDHO
C[C@@H]1CN(CCCCNC(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)C[C@H](C)O1	ZINC000884196089	598023802	/nfs/dbraw/zinc/02/38/02/598023802.db2.gz	HMOMKNBOHVERNW-XAZSACEBSA-N	1	3	348.491	1.131	20	30		EDEDHO
C#CCN1CCC(C(=O)N[C@H]2CC[N@@H+]([C@@H](C)COC)CC2(C)C)CC1	ZINC000941236850	701427603	/nfs/dbraw/zinc/42/76/03/701427603.db2.gz	BOHMDDJJEBCQIA-WMZOPIPTSA-N	1	3	349.519	1.583	20	30		EDEDHO
C#CCN1CCC(C(=O)N[C@H]2CC[N@H+]([C@@H](C)COC)CC2(C)C)CC1	ZINC000941236850	701427604	/nfs/dbraw/zinc/42/76/04/701427604.db2.gz	BOHMDDJJEBCQIA-WMZOPIPTSA-N	1	3	349.519	1.583	20	30		EDEDHO
C=C(C)C[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CN3CC4CC3(C4)CO2)CC1	ZINC000997227928	703503949	/nfs/dbraw/zinc/50/39/49/703503949.db2.gz	BHXVFVJEPPVVCO-XDAPHXNSSA-N	1	3	347.503	1.642	20	30		EDEDHO
C=C(C)CN1CC[C@H](N(CC)C(=O)c2cnn(CC[NH+](C)C)c2)C1	ZINC001033983515	709192720	/nfs/dbraw/zinc/19/27/20/709192720.db2.gz	SKHQWJFCBXFVNU-KRWDZBQOSA-N	1	3	333.480	1.557	20	30		EDEDHO
C#CCN1CCC(C(=O)N[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)CC1	ZINC000374314070	250259322	/nfs/dbraw/zinc/25/93/22/250259322.db2.gz	VXPNWARKLFPEET-RBUKOAKNSA-N	1	3	325.456	1.546	20	30		EDEDHO
C#CCN1CCC(C(=O)N[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)CC1	ZINC000374314070	250259325	/nfs/dbraw/zinc/25/93/25/250259325.db2.gz	VXPNWARKLFPEET-RBUKOAKNSA-N	1	3	325.456	1.546	20	30		EDEDHO
N#CCCC[C@H](N)C(=O)N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1	ZINC000424149199	252145329	/nfs/dbraw/zinc/14/53/29/252145329.db2.gz	BMZRJDXJMJEQNB-RCBQFDQVSA-N	1	3	336.386	1.548	20	30		EDEDHO
C=CCN1CCC(NC(=O)c2cn(C)nc2[C@@H]2CCC[NH2+]C2)CC1	ZINC000424157141	252147678	/nfs/dbraw/zinc/14/76/78/252147678.db2.gz	PIXORYQLHUSYIH-CQSZACIVSA-N	1	3	331.464	1.267	20	30		EDEDHO
C[C@H](Oc1ccccc1C#N)C(=O)N(CCN(C)C)CC[NH+](C)C	ZINC000103212458	441178391	/nfs/dbraw/zinc/17/83/91/441178391.db2.gz	OKTPAAHWSANMQL-HNNXBMFYSA-N	1	3	332.448	1.277	20	30		EDEDHO
CCN1CCC[C@@H]1CNC(=[NH2+])NCc1cccnc1-n1ccnc1	ZINC000170912446	442287400	/nfs/dbraw/zinc/28/74/00/442287400.db2.gz	RBPNWIYRMGOZEJ-OAHLLOKOSA-N	1	3	327.436	1.156	20	30		EDEDHO
[NH2+]=C(NCc1ccccc1CN1CCC(O)CC1)Nc1ccccn1	ZINC000178590115	442446615	/nfs/dbraw/zinc/44/66/15/442446615.db2.gz	DAKNZOLZTSKFJS-UHFFFAOYSA-N	1	3	339.443	1.965	20	30		EDEDHO
CCOCCCNC(=[NH2+])NC[C@H]1CN(Cc2ccccc2)CCCO1	ZINC000190537148	443130749	/nfs/dbraw/zinc/13/07/49/443130749.db2.gz	IUWRKWSVSKXHOB-SFHVURJKSA-N	1	3	348.491	1.608	20	30		EDEDHO
CCN1CCC[C@H]1CNC(=[NH2+])NCc1ccccc1-n1cccn1	ZINC000264132698	443251752	/nfs/dbraw/zinc/25/17/52/443251752.db2.gz	YHNYFPSJJLVGCV-INIZCTEOSA-N	1	3	326.448	1.761	20	30		EDEDHO
COC[C@@H](C)NC(=[NH2+])NCc1ccc(CN2CCC(O)CC2)cc1	ZINC000267414404	443448783	/nfs/dbraw/zinc/44/87/83/443448783.db2.gz	JAWYDYFNMDZBSG-CQSZACIVSA-N	1	3	334.464	1.083	20	30		EDEDHO
CCN1CCC[C@H]1CNC(=[NH2+])NC[C@@](C)(O)c1ccc(F)cc1F	ZINC000267473282	443469383	/nfs/dbraw/zinc/46/93/83/443469383.db2.gz	YOXNMHSTSWAPCV-SUMWQHHRSA-N	1	3	340.418	1.561	20	30		EDEDHO
COc1ccc(NC(=[NH2+])NCCN2CCN(C)C(C)(C)C2)cc1OC	ZINC000281768484	444000955	/nfs/dbraw/zinc/00/09/55/444000955.db2.gz	LYZMNIZTUHXAHC-UHFFFAOYSA-N	1	3	349.479	1.456	20	30		EDEDHO
CN1CCC[C@H](CNC(=[NH2+])N2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000304761866	444252963	/nfs/dbraw/zinc/25/29/63/444252963.db2.gz	VANIKMKJNZTNCU-CQSZACIVSA-N	1	3	339.484	1.196	20	30		EDEDHO
C=CCN1CCC(NC(=O)N2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@@H]3C2)CC1	ZINC000369657189	446139467	/nfs/dbraw/zinc/13/94/67/446139467.db2.gz	NAGUKZGNTJCGKR-JQHSSLGASA-N	1	3	332.492	1.763	20	30		EDEDHO
C=CCN1CCC(NC(=O)N2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@@H]3C2)CC1	ZINC000369657189	446139475	/nfs/dbraw/zinc/13/94/75/446139475.db2.gz	NAGUKZGNTJCGKR-JQHSSLGASA-N	1	3	332.492	1.763	20	30		EDEDHO
C[C@@H]1C[C@@H](NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)CC[NH2+]1	ZINC000418596249	446608000	/nfs/dbraw/zinc/60/80/00/446608000.db2.gz	HCWXVNZRHUTMKH-QAPCUYQASA-N	1	3	343.475	1.772	20	30		EDEDHO
C=CCN1CCC(NC(=O)NCC2(O)CC[NH+](C(C)C)CC2)CC1	ZINC000532136274	448206519	/nfs/dbraw/zinc/20/65/19/448206519.db2.gz	DNTFLYFKNYGWJP-UHFFFAOYSA-N	1	3	338.496	1.171	20	30		EDEDHO
CN1CCN(Cc2ccc(NC(=O)[C@@H]([NH3+])CCCC#N)cc2)CC1	ZINC000566168883	448401405	/nfs/dbraw/zinc/40/14/05/448401405.db2.gz	VYZNXMCYFRHSPN-KRWDZBQOSA-N	1	3	329.448	1.394	20	30		EDEDHO
C[C@@H]1[C@H](C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)CC[N@@H+]1C	ZINC000592753600	448970620	/nfs/dbraw/zinc/97/06/20/448970620.db2.gz	YOEKBDUWIAPSLK-CRAIPNDOSA-N	1	3	328.460	1.789	20	30		EDEDHO
C[C@@H]1[C@H](C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)CC[N@H+]1C	ZINC000592753600	448970623	/nfs/dbraw/zinc/97/06/23/448970623.db2.gz	YOEKBDUWIAPSLK-CRAIPNDOSA-N	1	3	328.460	1.789	20	30		EDEDHO
C[NH+](C)CCC(=O)Nc1ccc(NC(=O)[C@H](N)CCCCC#N)cc1	ZINC000594437976	449516217	/nfs/dbraw/zinc/51/62/17/449516217.db2.gz	LUWDWDSWBOOTDE-MRXNPFEDSA-N	1	3	345.447	1.927	20	30		EDEDHO
C=CCCn1cc(CNCC2(N3CCCCC3)CC[NH+](C)CC2)nn1	ZINC000657377568	453778106	/nfs/dbraw/zinc/77/81/06/453778106.db2.gz	QCMAZAIDFYUDCG-UHFFFAOYSA-N	1	3	346.523	1.894	20	30		EDEDHO
C=CCCn1cc(CNCC2([NH+]3CCCCC3)CCN(C)CC2)nn1	ZINC000657377568	453778108	/nfs/dbraw/zinc/77/81/08/453778108.db2.gz	QCMAZAIDFYUDCG-UHFFFAOYSA-N	1	3	346.523	1.894	20	30		EDEDHO
C=CCCOCCNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1	ZINC000123698518	527354141	/nfs/dbraw/zinc/35/41/41/527354141.db2.gz	HWAKESQTOOIUID-UHFFFAOYSA-N	1	3	338.496	1.437	20	30		EDEDHO
C=CCN(CC=C)[C@H](CNC(=O)C1C[NH+](C2CCOCC2)C1)C(C)C	ZINC000895671966	591247910	/nfs/dbraw/zinc/24/79/10/591247910.db2.gz	RVGPMJYVVLFQQI-LJQANCHMSA-N	1	3	349.519	1.912	20	30		EDEDHO
CN(CCC#N)C[C@@H](O)CNC[C@@]1(C)CC[N@H+](Cc2ccccc2)C1	ZINC000819282865	593748324	/nfs/dbraw/zinc/74/83/24/593748324.db2.gz	CJJZTFWHXUQICV-VQTJNVASSA-N	1	3	344.503	1.695	20	30		EDEDHO
CN(CCC#N)C[C@@H](O)CNC[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1	ZINC000819282865	593748325	/nfs/dbraw/zinc/74/83/25/593748325.db2.gz	CJJZTFWHXUQICV-VQTJNVASSA-N	1	3	344.503	1.695	20	30		EDEDHO
O=C(C#CC1CC[NH2+]CC1)NCCCN1CCc2ccccc2C1	ZINC000852858619	595579990	/nfs/dbraw/zinc/57/99/90/595579990.db2.gz	FIEDMYOYUDROEI-UHFFFAOYSA-N	1	3	325.456	1.554	20	30		EDEDHO
C=C(Cl)C[C@H](N)C(=O)N1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1	ZINC000876746686	597319221	/nfs/dbraw/zinc/31/92/21/597319221.db2.gz	OESWZEDWGAANEN-JYJNAYRXSA-N	1	3	342.915	1.473	20	30		EDEDHO
C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CN4CCC[C@@H]4CO3)CC[C@@H]2C1	ZINC000946597703	704292999	/nfs/dbraw/zinc/29/29/99/704292999.db2.gz	HDZICFQSQMLJPP-FCGDIQPGSA-N	1	3	345.487	1.043	20	30		EDEDHO
C#CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CN4CCC[C@@H]4CO3)CC[C@@H]2C1	ZINC000946597703	704293002	/nfs/dbraw/zinc/29/30/02/704293002.db2.gz	HDZICFQSQMLJPP-FCGDIQPGSA-N	1	3	345.487	1.043	20	30		EDEDHO
C#CCN1CCC(C(=O)N[C@H]2CC[N@@H+](CCC3CC3)C[C@@H]2C)CC1	ZINC000945179378	705211325	/nfs/dbraw/zinc/21/13/25/705211325.db2.gz	HSKATWPIVFAUIB-LPHOPBHVSA-N	1	3	331.504	1.958	20	30		EDEDHO
C#CCN1CCC(C(=O)N[C@H]2CC[N@H+](CCC3CC3)C[C@@H]2C)CC1	ZINC000945179378	705211331	/nfs/dbraw/zinc/21/13/31/705211331.db2.gz	HSKATWPIVFAUIB-LPHOPBHVSA-N	1	3	331.504	1.958	20	30		EDEDHO
C=CCN[C@H]1CN(C(=O)C2CC[NH+](C)CC2)CC[C@@H]1C(F)(F)F	ZINC000998284451	705678939	/nfs/dbraw/zinc/67/89/39/705678939.db2.gz	HAQWCMIWNHKZNS-KBPBESRZSA-N	1	3	333.398	1.883	20	30		EDEDHO
C#CCN1CCC(C(=O)NCC2CC[NH+](C[C@H](CC)OC)CC2)CC1	ZINC001002146268	708660415	/nfs/dbraw/zinc/66/04/15/708660415.db2.gz	YVJAQGQGFPVEJG-IBGZPJMESA-N	1	3	349.519	1.585	20	30		EDEDHO
N#CCCC[C@@H](N)C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1	ZINC000424153135	252145055	/nfs/dbraw/zinc/14/50/55/252145055.db2.gz	JJZUQTNTVYZNTR-ZWKOTPCHSA-N	1	3	328.460	1.688	20	30		EDEDHO
N#CCCC[C@@H](N)C(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1	ZINC000424153135	252145059	/nfs/dbraw/zinc/14/50/59/252145059.db2.gz	JJZUQTNTVYZNTR-ZWKOTPCHSA-N	1	3	328.460	1.688	20	30		EDEDHO
CN(C)CCN(CC[NH+](C)C)C(=O)NCc1ccc(C#N)cc1F	ZINC000077822761	441870665	/nfs/dbraw/zinc/87/06/65/441870665.db2.gz	KNRORNSNBABWGO-UHFFFAOYSA-N	1	3	335.427	1.332	20	30		EDEDHO
CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](CO)Cc1ccc(F)cc1	ZINC000264128162	443250994	/nfs/dbraw/zinc/25/09/94/443250994.db2.gz	WXVSMLCAQYPNMT-DOTOQJQBSA-N	1	3	336.455	1.365	20	30		EDEDHO
CCN1CCC[C@H]1CNC(=[NH2+])NCc1cc([N+](=O)[O-])ccc1OC	ZINC000264130778	443251965	/nfs/dbraw/zinc/25/19/65/443251965.db2.gz	YAGLAINIVCQMOK-AWEZNQCLSA-N	1	3	335.408	1.492	20	30		EDEDHO
CN(C)CCOc1ccc(CCNC(=[NH2+])Nc2ccccn2)cc1	ZINC000264324919	443260262	/nfs/dbraw/zinc/26/02/62/443260262.db2.gz	YRVBHDSVHSRYJA-UHFFFAOYSA-N	1	3	327.432	1.991	20	30		EDEDHO
CCN1CCC[C@H]1CNC(=[NH2+])NCc1cn(C)nc1-c1ccccc1	ZINC000272767957	443438175	/nfs/dbraw/zinc/43/81/75/443438175.db2.gz	SGDDZUPCWVXXNJ-KRWDZBQOSA-N	1	3	340.475	1.976	20	30		EDEDHO
C=C(C)CNC(=[NH2+])NCc1cccc(CN2CCC[C@@H](C(N)=O)C2)c1	ZINC000267406132	443446119	/nfs/dbraw/zinc/44/61/19/443446119.db2.gz	HAOGIYMFILASOZ-QGZVFWFLSA-N	1	3	343.475	1.364	20	30		EDEDHO
CCN1CCC[C@H]1CNC(=[NH2+])NCC(C)(C)NC(=O)OC(C)(C)C	ZINC000304675332	444251387	/nfs/dbraw/zinc/25/13/87/444251387.db2.gz	CXBPAYGAUWYWAM-ZDUSSCGKSA-N	1	3	341.500	1.678	20	30		EDEDHO
CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@@]1(CO)C[C@H]1c1ccccc1	ZINC000290614903	444301639	/nfs/dbraw/zinc/30/16/39/444301639.db2.gz	JUMPARKHAZFMPV-ZIFCJYIRSA-N	1	3	330.476	1.541	20	30		EDEDHO
C[NH+]1CCC(N2CCC(NC(=O)N3CCn4ccnc4C3)CC2)CC1	ZINC000329852570	444740365	/nfs/dbraw/zinc/74/03/65/444740365.db2.gz	RNFGSVPBHYUPHC-UHFFFAOYSA-N	1	3	346.479	1.171	20	30		EDEDHO
C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)[C@@H](N)CCCCC#N)CC1	ZINC000594437463	449517158	/nfs/dbraw/zinc/51/71/58/449517158.db2.gz	JUYKRZGCQCEQCY-KSZLIROESA-N	1	3	349.523	1.415	20	30		EDEDHO
C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)[C@@H](N)CCCCC#N)CC1	ZINC000594437463	449517162	/nfs/dbraw/zinc/51/71/62/449517162.db2.gz	JUYKRZGCQCEQCY-KSZLIROESA-N	1	3	349.523	1.415	20	30		EDEDHO
CN1CCC(C[NH2+]C[C@@H](O)CC(C)(C)C#N)(N2CCCCC2)CC1	ZINC000598721275	449563003	/nfs/dbraw/zinc/56/30/03/449563003.db2.gz	UKQLIGDAYXRZEP-KRWDZBQOSA-N	1	3	336.524	1.827	20	30		EDEDHO
C[C@@H]1CCCN(CC#CC[N@@H+]2CCC[C@H](C)[C@H]2CCO)[C@@H]1CCO	ZINC000661498481	452299236	/nfs/dbraw/zinc/29/92/36/452299236.db2.gz	LTPLETAPXVGUBF-IYWMVGAKSA-N	1	3	336.520	1.956	20	30		EDEDHO
C[C@@H]1CCCN(CC#CC[N@H+]2CCC[C@H](C)[C@H]2CCO)[C@@H]1CCO	ZINC000661498481	452299250	/nfs/dbraw/zinc/29/92/50/452299250.db2.gz	LTPLETAPXVGUBF-IYWMVGAKSA-N	1	3	336.520	1.956	20	30		EDEDHO
C[C@@H]1CCC[N@@H+](CC#CCN2CCC[C@H](C)[C@H]2CCO)[C@@H]1CCO	ZINC000661498481	452299261	/nfs/dbraw/zinc/29/92/61/452299261.db2.gz	LTPLETAPXVGUBF-IYWMVGAKSA-N	1	3	336.520	1.956	20	30		EDEDHO
C[C@@H]1CCC[N@H+](CC#CCN2CCC[C@H](C)[C@H]2CCO)[C@@H]1CCO	ZINC000661498481	452299268	/nfs/dbraw/zinc/29/92/68/452299268.db2.gz	LTPLETAPXVGUBF-IYWMVGAKSA-N	1	3	336.520	1.956	20	30		EDEDHO
C#C[C@H](NC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1)[C@H]1CCCO1	ZINC000847757528	595479917	/nfs/dbraw/zinc/47/99/17/595479917.db2.gz	AJPQHGOXOBRCLH-RBUKOAKNSA-N	1	3	347.503	1.480	20	30		EDEDHO
CC1([NH+]2CCCC2)CCN(C(=O)C2CC3(C2)CNC[C@H]3C#N)CC1	ZINC000884454264	598110235	/nfs/dbraw/zinc/11/02/35/598110235.db2.gz	JAQLPXRDSAXZPF-KOHRHEQBSA-N	1	3	330.476	1.603	20	30		EDEDHO
C=C(C)CCN1CC(N2CCN(C(=O)C[N@@H+]3CCC(C)(C)C3)CC2)C1	ZINC000941567466	701579831	/nfs/dbraw/zinc/57/98/31/701579831.db2.gz	ULTJSOLPLAFHOU-UHFFFAOYSA-N	1	3	348.535	1.513	20	30		EDEDHO
C=C(C)CCN1CC(N2CCN(C(=O)C[N@H+]3CCC(C)(C)C3)CC2)C1	ZINC000941567466	701579832	/nfs/dbraw/zinc/57/98/32/701579832.db2.gz	ULTJSOLPLAFHOU-UHFFFAOYSA-N	1	3	348.535	1.513	20	30		EDEDHO
C=C(Cl)CNC1CC(N(C)C(=O)c2cnn(CC[NH+](C)C)c2)C1	ZINC000999539107	707039988	/nfs/dbraw/zinc/03/99/88/707039988.db2.gz	XXUVYUJTBPPUAU-UHFFFAOYSA-N	1	3	339.871	1.390	20	30		EDEDHO
C=CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CN4CC5CC4(C5)CO3)CC[C@@H]2C1	ZINC000946690432	707123040	/nfs/dbraw/zinc/12/30/40/707123040.db2.gz	QUUVIAKFORIFBV-PBIMCDDKSA-N	1	3	345.487	1.206	20	30		EDEDHO
C=CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CN4CC5CC4(C5)CO3)CC[C@@H]2C1	ZINC000946690432	707123041	/nfs/dbraw/zinc/12/30/41/707123041.db2.gz	QUUVIAKFORIFBV-PBIMCDDKSA-N	1	3	345.487	1.206	20	30		EDEDHO
C=C(Cl)CN[C@@H]1CCCN(C(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1	ZINC000999764463	707318988	/nfs/dbraw/zinc/31/89/88/707318988.db2.gz	KMNLTMDLNHEYHO-GYMHETDLSA-N	1	3	339.867	1.183	20	30		EDEDHO
C=C(Cl)CN[C@@H]1CCCN(C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1	ZINC000999764463	707318991	/nfs/dbraw/zinc/31/89/91/707318991.db2.gz	KMNLTMDLNHEYHO-GYMHETDLSA-N	1	3	339.867	1.183	20	30		EDEDHO
C[NH+]=C(NCC1(N2CCCC2)CCOCC1)N(C)Cc1ccco1	ZINC000086309073	441461758	/nfs/dbraw/zinc/46/17/58/441461758.db2.gz	KGOGJCUFVMXTCP-UHFFFAOYSA-N	1	3	334.464	1.932	20	30		EDEDHO
C=C(C)C[NH+]1CCC(NCc2cnc(N3CCN(C)CC3)nc2)CC1	ZINC000134295763	442466055	/nfs/dbraw/zinc/46/60/55/442466055.db2.gz	UHIRJPFKKFREKD-UHFFFAOYSA-N	1	3	344.507	1.359	20	30		EDEDHO
C=C(C)CN1CCC([NH2+]Cc2cnc(N3CCN(C)CC3)nc2)CC1	ZINC000134295763	442466056	/nfs/dbraw/zinc/46/60/56/442466056.db2.gz	UHIRJPFKKFREKD-UHFFFAOYSA-N	1	3	344.507	1.359	20	30		EDEDHO
C=C[C@@](C)(CCOC)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1	ZINC000187622145	442682790	/nfs/dbraw/zinc/68/27/90/442682790.db2.gz	SUSUFWQTDZIKCI-IBGZPJMESA-N	1	3	337.508	1.890	20	30		EDEDHO
COc1ccc(CCNC(=[NH2+])NCC(C)(C)CN(C)C)cc1OC	ZINC000264056198	443247571	/nfs/dbraw/zinc/24/75/71/443247571.db2.gz	AXFXEWQDJBOQBW-UHFFFAOYSA-N	1	3	336.480	1.738	20	30		EDEDHO
CCN1CCN(Cc2ccccc2CNC(=[NH2+])N[C@H](C)COC)CC1	ZINC000264123823	443250392	/nfs/dbraw/zinc/25/03/92/443250392.db2.gz	VTLGAMZNFOXGET-MRXNPFEDSA-N	1	3	347.507	1.263	20	30		EDEDHO
CCN1CCC[C@@H]1CNC(=[NH2+])NCCc1ccn(-c2ccccc2)n1	ZINC000264318436	443260594	/nfs/dbraw/zinc/26/05/94/443260594.db2.gz	WZNVSFNJZBGQQY-GOSISDBHSA-N	1	3	340.475	1.803	20	30		EDEDHO
CC1CCN(C(=[NH2+])NCc2ccccc2CN2CC[C@@H](O)C2)CC1	ZINC000272944565	443497574	/nfs/dbraw/zinc/49/75/74/443497574.db2.gz	OCMDAOUFILBYDV-GOSISDBHSA-N	1	3	330.476	1.800	20	30		EDEDHO
C[NH+]1CCC(N2CCC(NC(=O)N[C@@]3(C)CCCOC3)CC2)CC1	ZINC000329154081	444485936	/nfs/dbraw/zinc/48/59/36/444485936.db2.gz	UNEXHODPEHCKIT-SFHVURJKSA-N	1	3	338.496	1.618	20	30		EDEDHO
CCc1nnc(C2CCN(CC(=O)NC3CC[NH+](CC)CC3)CC2)[nH]1	ZINC000330100790	444843900	/nfs/dbraw/zinc/84/39/00/444843900.db2.gz	FCKWNAZJJZKMEZ-UHFFFAOYSA-N	1	3	348.495	1.987	20	30		EDEDHO
CCN1CCCN(C(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)CC1	ZINC000330222945	444894694	/nfs/dbraw/zinc/89/46/94/444894694.db2.gz	AAEJYNIEHDEDBJ-SJORKVTESA-N	1	3	338.496	1.306	20	30		EDEDHO
CCCN1CC[C@H](C[NH2+]C[C@@H](O)COc2ccc(CC#N)cc2)C1	ZINC000566108132	448390742	/nfs/dbraw/zinc/39/07/42/448390742.db2.gz	CVHYSSUAPPUUIS-QZTJIDSGSA-N	1	3	331.460	1.814	20	30		EDEDHO
C=CCN1CCC(NC(=O)N2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)CC1	ZINC000626969806	451040784	/nfs/dbraw/zinc/04/07/84/451040784.db2.gz	APSHSABEBOUVCB-GXTWGEPZSA-N	1	3	348.413	1.806	20	30		EDEDHO
C=C(C)CN1CCC(NC(=O)Nc2ccn(CC[NH+](C)C)n2)CC1	ZINC000173949344	526596337	/nfs/dbraw/zinc/59/63/37/526596337.db2.gz	AQSGNVPGUSFHOQ-UHFFFAOYSA-N	1	3	334.468	1.607	20	30		EDEDHO
CCN1CCC[C@H]1CNC(=[NH2+])NCCc1ccc(NC(C)=O)cc1	ZINC000264092961	535597124	/nfs/dbraw/zinc/59/71/24/535597124.db2.gz	LTDBJXVAXSULNV-KRWDZBQOSA-N	1	3	331.464	1.576	20	30		EDEDHO
C=C(CC[NH+](C)C)C(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1	ZINC000907739378	592766641	/nfs/dbraw/zinc/76/66/41/592766641.db2.gz	UPDRQZOXKSFUJT-LJQANCHMSA-N	1	3	345.487	1.902	20	30		EDEDHO
C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)/C=C/c1ccccc1C#N	ZINC000855346196	595681071	/nfs/dbraw/zinc/68/10/71/595681071.db2.gz	RKCGRNRAZTVXBL-OFAQMXQXSA-N	1	3	328.460	1.960	20	30		EDEDHO
C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)/C=C/c1ccccc1C#N	ZINC000855346196	595681073	/nfs/dbraw/zinc/68/10/73/595681073.db2.gz	RKCGRNRAZTVXBL-OFAQMXQXSA-N	1	3	328.460	1.960	20	30		EDEDHO
C#CCN(C(=O)NC[C@@H](C)[N@@H+]1CCCC[C@@H]1C)C1CCN(C)CC1	ZINC000914074053	695068771	/nfs/dbraw/zinc/06/87/71/695068771.db2.gz	XKQFYZZVPNIKPZ-DLBZAZTESA-N	1	3	334.508	1.988	20	30		EDEDHO
C#CCN(C(=O)NC[C@@H](C)[N@H+]1CCCC[C@@H]1C)C1CCN(C)CC1	ZINC000914074053	695068776	/nfs/dbraw/zinc/06/87/76/695068776.db2.gz	XKQFYZZVPNIKPZ-DLBZAZTESA-N	1	3	334.508	1.988	20	30		EDEDHO
CC[C@H](C(=O)N1CCC([NH2+]Cc2ccc(C#N)cc2)CC1)N(C)C	ZINC000996713828	703005210	/nfs/dbraw/zinc/00/52/10/703005210.db2.gz	XSNMMUCUCUSARM-GOSISDBHSA-N	1	3	328.460	1.979	20	30		EDEDHO
C#CCN1CCC(C(=O)N[C@H](C)C2CC[NH+](CC3CC3)CC2)CC1	ZINC000997434901	703664896	/nfs/dbraw/zinc/66/48/96/703664896.db2.gz	PWTNAUKTSJAHSV-MRXNPFEDSA-N	1	3	331.504	1.958	20	30		EDEDHO
C=CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CN4CCC[C@@H]4CO3)CC[C@@H]2C1	ZINC000946598088	704311149	/nfs/dbraw/zinc/31/11/49/704311149.db2.gz	XOQGEMCKPNQXEV-FCGDIQPGSA-N	1	3	347.503	1.596	20	30		EDEDHO
C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CN4CCC[C@@H]4CO3)CC[C@@H]2C1	ZINC000946598088	704311152	/nfs/dbraw/zinc/31/11/52/704311152.db2.gz	XOQGEMCKPNQXEV-FCGDIQPGSA-N	1	3	347.503	1.596	20	30		EDEDHO
CN(C(=O)[C@@H]1CCCN1C)C1CC([NH2+]Cc2ccc(C#N)c(F)c2)C1	ZINC000998548305	705983844	/nfs/dbraw/zinc/98/38/44/705983844.db2.gz	GDSVJIKGWGFGIY-HTWSVDAQSA-N	1	3	344.434	1.871	20	30		EDEDHO
CN1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2ccc(C#N)s2)C1	ZINC000998725168	706160088	/nfs/dbraw/zinc/16/00/88/706160088.db2.gz	VMQAWZGSGXBKTF-CZUORRHYSA-N	1	3	332.473	1.795	20	30		EDEDHO
C#CCN1CCC(C(=O)N(C)C2CC([NH2+]Cc3ccccn3)C2)CC1	ZINC000999871591	707515127	/nfs/dbraw/zinc/51/51/27/707515127.db2.gz	VJKGYWAMEWVSOJ-UHFFFAOYSA-N	1	3	340.471	1.506	20	30		EDEDHO
C#CCN(C(=O)NC[C@@H]1CCCCN1C1CC1)C1CC[NH+](C)CC1	ZINC000922207759	710423253	/nfs/dbraw/zinc/42/32/53/710423253.db2.gz	VKFJTIRTVXUBOM-SFHVURJKSA-N	1	3	332.492	1.742	20	30		EDEDHO
CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1cc(C#N)[nH]c1C	ZINC000448853363	285248467	/nfs/dbraw/zinc/24/84/67/285248467.db2.gz	OMMJMBRXEVCZNY-MRXNPFEDSA-N	1	3	331.464	1.683	20	30		EDEDHO
CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1cc(C#N)[nH]c1C	ZINC000448853363	285248470	/nfs/dbraw/zinc/24/84/70/285248470.db2.gz	OMMJMBRXEVCZNY-MRXNPFEDSA-N	1	3	331.464	1.683	20	30		EDEDHO
CCN1CCC[C@@H]1CNC(=[NH2+])NCc1ccccc1OCCOC	ZINC000264106856	285253723	/nfs/dbraw/zinc/25/37/23/285253723.db2.gz	PUQYTGBLLLWNRW-MRXNPFEDSA-N	1	3	334.464	1.600	20	30		EDEDHO
CC(C)[NH+]1CCC(O)(CNC(=O)N[C@H]2CN(C3CC3)C[C@H]2C)CC1	ZINC000329923844	444770821	/nfs/dbraw/zinc/77/08/21/444770821.db2.gz	IRVHYZYSHROYJM-ZBFHGGJFSA-N	1	3	338.496	1.208	20	30		EDEDHO
C[C@@H]1[C@H](N(C)CCO)CCN1C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C	ZINC000330181707	444876213	/nfs/dbraw/zinc/87/62/13/444876213.db2.gz	GUZUKYLLTQMXJB-AKBNIOSXSA-N	1	3	338.496	1.303	20	30		EDEDHO
C[C@@H]1[C@H](N(C)CCO)CCN1C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C	ZINC000330181707	444876217	/nfs/dbraw/zinc/87/62/17/444876217.db2.gz	GUZUKYLLTQMXJB-AKBNIOSXSA-N	1	3	338.496	1.303	20	30		EDEDHO
C=CCN1CCC(NC(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)CC1	ZINC000433334395	446555887	/nfs/dbraw/zinc/55/58/87/446555887.db2.gz	HKWQSFPMFZETNN-INIZCTEOSA-N	1	3	338.496	1.437	20	30		EDEDHO
C=CCN1CCC(NC(=O)NCCC[N@H+]2CCCO[C@@H](C)C2)CC1	ZINC000433334395	446555890	/nfs/dbraw/zinc/55/58/90/446555890.db2.gz	HKWQSFPMFZETNN-INIZCTEOSA-N	1	3	338.496	1.437	20	30		EDEDHO
C=CCN(CC=C)[C@H](CNC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1)C(C)C	ZINC000417056895	447732176	/nfs/dbraw/zinc/73/21/76/447732176.db2.gz	AHMTYUTUNTYLAC-KZNAEPCWSA-N	1	3	334.508	1.936	20	30		EDEDHO
CN(C)CCN(CC[NH+](C)C)C(=O)NCc1ccc(C#N)c(F)c1	ZINC000590947203	449353131	/nfs/dbraw/zinc/35/31/31/449353131.db2.gz	IBVRRZXSLIYZLX-UHFFFAOYSA-N	1	3	335.427	1.332	20	30		EDEDHO
CCN1CCC([N@@H+]2CCCN(C[C@H](O)CC(C)(C)C#N)CC2)CC1	ZINC000598621014	449498263	/nfs/dbraw/zinc/49/82/63/449498263.db2.gz	DHUAWYGEGJIAKH-GOSISDBHSA-N	1	3	336.524	1.779	20	30		EDEDHO
CCN1CCC([N@H+]2CCCN(C[C@H](O)CC(C)(C)C#N)CC2)CC1	ZINC000598621014	449498265	/nfs/dbraw/zinc/49/82/65/449498265.db2.gz	DHUAWYGEGJIAKH-GOSISDBHSA-N	1	3	336.524	1.779	20	30		EDEDHO
CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)[C@H](N)CCCC#N)cc1	ZINC000595256316	449980450	/nfs/dbraw/zinc/98/04/50/449980450.db2.gz	MFILEBAJBBPDML-KSZLIROESA-N	1	3	344.459	1.668	20	30		EDEDHO
C=CCOCCCNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1	ZINC000660575428	453414479	/nfs/dbraw/zinc/41/44/79/453414479.db2.gz	TXCHPCOEXYHFAL-UHFFFAOYSA-N	1	3	338.496	1.437	20	30		EDEDHO
CCN1CCC[C@H]1CNC(=[NH2+])NCC1(N(C)C)Cc2ccccc2C1	ZINC000267387325	535596437	/nfs/dbraw/zinc/59/64/37/535596437.db2.gz	BYPZDESYXHUXNH-SFHVURJKSA-N	1	3	343.519	1.474	20	30		EDEDHO
CCN1CCC[C@H]1CNC(=[NH2+])NCc1ccc(F)c(CN(C)C)c1	ZINC000267387341	535596835	/nfs/dbraw/zinc/59/68/35/535596835.db2.gz	CAIIMUXVFSWPHX-INIZCTEOSA-N	1	3	335.471	1.776	20	30		EDEDHO
C=C(C[NH+](C)C)C(=O)NCCCN1CCN(Cc2ccccc2)CC1	ZINC000764232515	580116258	/nfs/dbraw/zinc/11/62/58/580116258.db2.gz	LSLKFAKKZXQWDG-UHFFFAOYSA-N	1	3	344.503	1.428	20	30		EDEDHO
N#Cc1cc([N+](=O)[O-])ccc1N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCNCC1	ZINC000905699857	592614140	/nfs/dbraw/zinc/61/41/40/592614140.db2.gz	CBECURVHWYMSIW-CALCHBBNSA-N	1	3	341.415	1.871	20	30		EDEDHO
N#Cc1cc([N+](=O)[O-])ccc1N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCNCC1	ZINC000905699857	592614143	/nfs/dbraw/zinc/61/41/43/592614143.db2.gz	CBECURVHWYMSIW-CALCHBBNSA-N	1	3	341.415	1.871	20	30		EDEDHO
C[N@@H+]1CCCN(c2ccc(NC(=O)[C@H](N)CCCC#N)cc2)CC1	ZINC000827249211	594656259	/nfs/dbraw/zinc/65/62/59/594656259.db2.gz	GNXMZAWFBSWAGO-QGZVFWFLSA-N	1	3	329.448	1.788	20	30		EDEDHO
C[N@H+]1CCCN(c2ccc(NC(=O)[C@H](N)CCCC#N)cc2)CC1	ZINC000827249211	594656260	/nfs/dbraw/zinc/65/62/60/594656260.db2.gz	GNXMZAWFBSWAGO-QGZVFWFLSA-N	1	3	329.448	1.788	20	30		EDEDHO
N#C[C@H]1CNCC12CC(C(=O)NC[C@@H]1CCC[N@H+](CC3CC3)C1)C2	ZINC000884421696	598100771	/nfs/dbraw/zinc/10/07/71/598100771.db2.gz	BNOSJPZUDZOIFN-WPZCVXBKSA-N	1	3	330.476	1.364	20	30		EDEDHO
N#C[C@H]1CNCC12CC(C(=O)NC[C@@H]1CCC[N@@H+](CC3CC3)C1)C2	ZINC000884421696	598100773	/nfs/dbraw/zinc/10/07/73/598100773.db2.gz	BNOSJPZUDZOIFN-WPZCVXBKSA-N	1	3	330.476	1.364	20	30		EDEDHO
N#Cc1ccc(C[NH2+]C2CCN(C(=O)CN3CCCC3)CC2)cc1F	ZINC000997307031	703565402	/nfs/dbraw/zinc/56/54/02/703565402.db2.gz	LWZLNZOCIDXZNP-UHFFFAOYSA-N	1	3	344.434	1.874	20	30		EDEDHO
C=CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CN4CCC[C@H]4CO3)CC[C@@H]2C1	ZINC000946598091	704311379	/nfs/dbraw/zinc/31/13/79/704311379.db2.gz	XOQGEMCKPNQXEV-ZSYWTGECSA-N	1	3	347.503	1.596	20	30		EDEDHO
C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CN4CCC[C@H]4CO3)CC[C@@H]2C1	ZINC000946598091	704311381	/nfs/dbraw/zinc/31/13/81/704311381.db2.gz	XOQGEMCKPNQXEV-ZSYWTGECSA-N	1	3	347.503	1.596	20	30		EDEDHO
CC[C@H](C(=O)N1CCC[C@@H]([NH2+]Cc2cccc(C#N)c2)C1)N(C)C	ZINC000999496564	706994543	/nfs/dbraw/zinc/99/45/43/706994543.db2.gz	NWWKALBMYQKOHL-QZTJIDSGSA-N	1	3	328.460	1.979	20	30		EDEDHO
C#CCCN1CC[C@H](N(C)C(=O)c2ccc(CC[NH+](C)C)cc2)C1	ZINC001033423894	707840485	/nfs/dbraw/zinc/84/04/85/707840485.db2.gz	UTUBIALFUJDOTG-IBGZPJMESA-N	1	3	327.472	1.960	20	30		EDEDHO
C[C@@]12CN(C(=O)[C@H](N)CCCC#N)C[C@@H]1C[N@H+](Cc1ccccc1)C2	ZINC000702111215	709322059	/nfs/dbraw/zinc/32/20/59/709322059.db2.gz	KMDQONNKBXPXGN-NLWGTHIKSA-N	1	3	340.471	1.988	20	30		EDEDHO
C[C@@]12CN(C(=O)[C@H](N)CCCC#N)C[C@@H]1C[N@@H+](Cc1ccccc1)C2	ZINC000702111215	709322061	/nfs/dbraw/zinc/32/20/61/709322061.db2.gz	KMDQONNKBXPXGN-NLWGTHIKSA-N	1	3	340.471	1.988	20	30		EDEDHO
C#CCCN1CCCC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)C1	ZINC001034241251	709626886	/nfs/dbraw/zinc/62/68/86/709626886.db2.gz	PPQYWWRERCOQAK-PKOBYXMFSA-N	1	3	347.503	1.624	20	30		EDEDHO
C#CCCN1CCCC[C@H](NC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C1	ZINC001034241251	709626887	/nfs/dbraw/zinc/62/68/87/709626887.db2.gz	PPQYWWRERCOQAK-PKOBYXMFSA-N	1	3	347.503	1.624	20	30		EDEDHO
C#CCC[N@H+]1CCCC[C@H](NC(=O)[C@H]2CCCN2C2CCOCC2)C1	ZINC001034241251	709626888	/nfs/dbraw/zinc/62/68/88/709626888.db2.gz	PPQYWWRERCOQAK-PKOBYXMFSA-N	1	3	347.503	1.624	20	30		EDEDHO
C#CCC[N@@H+]1CCCC[C@H](NC(=O)[C@H]2CCCN2C2CCOCC2)C1	ZINC001034241251	709626889	/nfs/dbraw/zinc/62/68/89/709626889.db2.gz	PPQYWWRERCOQAK-PKOBYXMFSA-N	1	3	347.503	1.624	20	30		EDEDHO
C[N@H+](CCO)C1CCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CC1	ZINC000350725278	250059945	/nfs/dbraw/zinc/05/99/45/250059945.db2.gz	VHXHEUAWIHMTKA-QGZVFWFLSA-N	1	3	340.427	1.156	20	30		EDEDHO
C[N@@H+](CCO)C1CCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CC1	ZINC000350725278	250059950	/nfs/dbraw/zinc/05/99/50/250059950.db2.gz	VHXHEUAWIHMTKA-QGZVFWFLSA-N	1	3	340.427	1.156	20	30		EDEDHO
C[C@@H]1[NH2+]CCC[C@H]1NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1	ZINC000418541485	267791718	/nfs/dbraw/zinc/79/17/18/267791718.db2.gz	AZIRXEIZHNDVLG-MAUKXSAKSA-N	1	3	343.475	1.772	20	30		EDEDHO
CN(C)CCN(CC[NH+](C)C)C(=O)c1cc(C#N)cc(N(C)C)c1	ZINC000555888857	306206753	/nfs/dbraw/zinc/20/67/53/306206753.db2.gz	DEWKLUNULPIUSR-UHFFFAOYSA-N	1	3	331.464	1.190	20	30		EDEDHO
CCNC(NCc1ccc(CN2CCN(CC)CC2)cc1)=[NH+]CC	ZINC000066243414	441516046	/nfs/dbraw/zinc/51/60/46/441516046.db2.gz	LXKOVZXILYEWGL-UHFFFAOYSA-N	1	3	331.508	1.899	20	30		EDEDHO
C[NH+]=C(NC[C@@](C)(O)c1ccco1)NC1C[C@H]2CCC[C@@H](C1)N2C	ZINC000262766204	443211731	/nfs/dbraw/zinc/21/17/31/443211731.db2.gz	HGNXQBSSZFXIBG-KRWWSPQJSA-N	1	3	334.464	1.667	20	30		EDEDHO
CCN1CCC[C@@H]1CNC(=[NH2+])NCc1ccccc1Cn1ccnc1	ZINC000264055250	443247675	/nfs/dbraw/zinc/24/76/75/443247675.db2.gz	APBDEAFTGPANNI-GOSISDBHSA-N	1	3	340.475	1.820	20	30		EDEDHO
COc1ccc(CN2CCC(CNC(=[NH2+])N3CCOCC3)CC2)cc1	ZINC000264108496	443249044	/nfs/dbraw/zinc/24/90/44/443249044.db2.gz	QBMHBUJKEXPRJS-UHFFFAOYSA-N	1	3	346.475	1.554	20	30		EDEDHO
CCN1CCC[C@@H]1CNC(=[NH2+])NCc1cc2c(cc1OC)C[C@H](C)O2	ZINC000269406271	443305673	/nfs/dbraw/zinc/30/56/73/443305673.db2.gz	FBRGBOHQSISSOI-XJKSGUPXSA-N	1	3	346.475	1.907	20	30		EDEDHO
C=CCN(CC=C)C(=O)C[NH2+][C@@H]1CCN(CCCOCC)C[C@H]1C	ZINC000274847463	443612853	/nfs/dbraw/zinc/61/28/53/443612853.db2.gz	OCAJLCYVXDRFTN-QZTJIDSGSA-N	1	3	337.508	1.914	20	30		EDEDHO
C[C@@H](C(=O)N(C)CCC#N)N1CCC2(C[C@@H]2C[N@H+](C)C2CC2)CC1	ZINC000367309824	446535714	/nfs/dbraw/zinc/53/57/14/446535714.db2.gz	KYGHXLPUWHLENS-JKSUJKDBSA-N	1	3	332.492	1.943	20	30		EDEDHO
C[C@@H](C(=O)N(C)CCC#N)N1CCC2(C[C@@H]2C[N@@H+](C)C2CC2)CC1	ZINC000367309824	446535723	/nfs/dbraw/zinc/53/57/23/446535723.db2.gz	KYGHXLPUWHLENS-JKSUJKDBSA-N	1	3	332.492	1.943	20	30		EDEDHO
CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1	ZINC000418566605	446597016	/nfs/dbraw/zinc/59/70/16/446597016.db2.gz	AMVGLBBCSVDIJI-QZTJIDSGSA-N	1	3	343.475	1.901	20	30		EDEDHO
CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NCC[NH2+]C1CC1	ZINC000591359266	448341808	/nfs/dbraw/zinc/34/18/08/448341808.db2.gz	IIIWCEYLIKBJJZ-UHFFFAOYSA-N	1	3	329.448	1.383	20	30		EDEDHO
CN(CCC#N)C[C@H](O)CNCc1ccccc1C[NH+]1CCCCC1	ZINC000574072050	448786072	/nfs/dbraw/zinc/78/60/72/448786072.db2.gz	PXMSNIBSQVBTMZ-HXUWFJFHSA-N	1	3	344.503	1.968	20	30		EDEDHO
OC1([C@H]2CCCCN2CC#CC[N@@H+]2CCCC[C@@H]2C2(O)CC2)CC1	ZINC000568601530	448893750	/nfs/dbraw/zinc/89/37/50/448893750.db2.gz	YWJMYJJKUNQQQY-QZTJIDSGSA-N	1	3	332.488	1.749	20	30		EDEDHO
OC1([C@H]2CCCCN2CC#CC[N@H+]2CCCC[C@@H]2C2(O)CC2)CC1	ZINC000568601530	448893755	/nfs/dbraw/zinc/89/37/55/448893755.db2.gz	YWJMYJJKUNQQQY-QZTJIDSGSA-N	1	3	332.488	1.749	20	30		EDEDHO
CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C[C@@H]1CC[N@H+](C)C1	ZINC000602069833	449320660	/nfs/dbraw/zinc/32/06/60/449320660.db2.gz	FGLOWLFKOSJWFQ-SFHVURJKSA-N	1	3	328.460	1.790	20	30		EDEDHO
CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C[C@@H]1CC[N@@H+](C)C1	ZINC000602069833	449320668	/nfs/dbraw/zinc/32/06/68/449320668.db2.gz	FGLOWLFKOSJWFQ-SFHVURJKSA-N	1	3	328.460	1.790	20	30		EDEDHO
C[C@@H](CC1(C#N)CCOCC1)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1	ZINC000602543923	449663548	/nfs/dbraw/zinc/66/35/48/449663548.db2.gz	MTWXONSZYVEYNL-JKSUJKDBSA-N	1	3	336.480	1.262	20	30		EDEDHO
C[C@@H](CC1(C#N)CCOCC1)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1	ZINC000602543923	449663552	/nfs/dbraw/zinc/66/35/52/449663552.db2.gz	MTWXONSZYVEYNL-JKSUJKDBSA-N	1	3	336.480	1.262	20	30		EDEDHO
CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Cc1ccc(C#N)nc1	ZINC000599248813	449830315	/nfs/dbraw/zinc/83/03/15/449830315.db2.gz	APGAFHTTYSHFME-SFHVURJKSA-N	1	3	343.475	1.370	20	30		EDEDHO
CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Cc1ccc(C#N)nc1	ZINC000599248813	449830317	/nfs/dbraw/zinc/83/03/17/449830317.db2.gz	APGAFHTTYSHFME-SFHVURJKSA-N	1	3	343.475	1.370	20	30		EDEDHO
CC(C)CCNC(=[NH2+])NCc1ccc(CN2CCN(C)CC2)cc1	ZINC000264070971	535384985	/nfs/dbraw/zinc/38/49/85/535384985.db2.gz	GDKKZDASIJSKFH-UHFFFAOYSA-N	1	3	331.508	1.884	20	30		EDEDHO
C=C(CN(C)C)C(=O)Nc1cc(F)cc(NC(=O)C(=C)C[NH+](C)C)c1	ZINC000795090115	580913092	/nfs/dbraw/zinc/91/30/92/580913092.db2.gz	LAYKPGJHBMWAQN-UHFFFAOYSA-N	1	3	348.422	1.938	20	30		EDEDHO
C=C(CC[NH+](C)C)C(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1	ZINC000907739375	592766586	/nfs/dbraw/zinc/76/65/86/592766586.db2.gz	UPDRQZOXKSFUJT-IBGZPJMESA-N	1	3	345.487	1.902	20	30		EDEDHO
C#CCC[NH+]1CCC(NC(=O)C2C[C@@H](c3ccccc3)OC2=O)CC1	ZINC000809688379	593354831	/nfs/dbraw/zinc/35/48/31/593354831.db2.gz	JJANCLSNAJLNJB-ROUUACIJSA-N	1	3	340.423	1.895	20	30		EDEDHO
C=CC[NH+]1CCC(NC[C@@H](O)c2ccc(S(C)(=O)=O)cc2)CC1	ZINC000819024281	593734454	/nfs/dbraw/zinc/73/44/54/593734454.db2.gz	NIVVYGVTNYQLMB-QGZVFWFLSA-N	1	3	338.473	1.364	20	30		EDEDHO
N#C[C@H]1CNCC12CC(C(=O)N1CCC[C@H]([NH+]3CCCC3)CC1)C2	ZINC000884224378	598036011	/nfs/dbraw/zinc/03/60/11/598036011.db2.gz	OHXSJBUBOSSRDP-VIHIWDAPSA-N	1	3	330.476	1.603	20	30		EDEDHO
N#C[C@@H]1CNCC12CC(C(=O)N[C@@H](CCC[NH3+])c1ccccc1)C2	ZINC000884337090	598073367	/nfs/dbraw/zinc/07/33/67/598073367.db2.gz	CXNNHPHJCWWJOM-ISXWCOSWSA-N	1	3	326.444	1.722	20	30		EDEDHO
C#CCN1CC[NH+](C2CCC(NC(=O)CN3CC[C@@H](C)C3)CC2)CC1	ZINC000996788779	703081300	/nfs/dbraw/zinc/08/13/00/703081300.db2.gz	LCGIKNQPAQBKQP-LMDPOFIKSA-N	1	3	346.519	1.006	20	30		EDEDHO
C[NH+]1CCC(C(=O)N2CCC(NCc3ccccc3C#N)CC2)CC1	ZINC000996946040	703214667	/nfs/dbraw/zinc/21/46/67/703214667.db2.gz	NJXFOWBTNPUPLC-UHFFFAOYSA-N	1	3	340.471	1.981	20	30		EDEDHO
CC#CCN1CCC([C@@H](C)NC(=O)c2cnn(CC[NH+](C)C)c2)CC1	ZINC000997348778	703576673	/nfs/dbraw/zinc/57/66/73/703576673.db2.gz	RHEQVOUWJDADJJ-MRXNPFEDSA-N	1	3	345.491	1.298	20	30		EDEDHO
C#CCN1CCC(C(=O)N[C@H]2CCCC[N@@H+](C[C@H](C)OC)C2)CC1	ZINC001034538362	710211104	/nfs/dbraw/zinc/21/11/04/710211104.db2.gz	MTOAJIDLHGGYCU-WMZOPIPTSA-N	1	3	335.492	1.337	20	30		EDEDHO
C#CCN1CCC(C(=O)N[C@H]2CCCC[N@H+](C[C@H](C)OC)C2)CC1	ZINC001034538362	710211107	/nfs/dbraw/zinc/21/11/07/710211107.db2.gz	MTOAJIDLHGGYCU-WMZOPIPTSA-N	1	3	335.492	1.337	20	30		EDEDHO
N#Cc1ccc(CN2CCC([NH2+]C[C@H](O)CN3CCCC3)CC2)cc1	ZINC000271890437	140367868	/nfs/dbraw/zinc/36/78/68/140367868.db2.gz	RXBWOOOVWXXXPV-FQEVSTJZSA-N	1	3	342.487	1.569	20	30		EDEDHO
C[C@H]1C[N@H+](CCOc2ccc(C#N)cc2)CC[C@H]1N1CCN(C)CC1	ZINC000372329089	156337772	/nfs/dbraw/zinc/33/77/72/156337772.db2.gz	AQMRKNCKJVUECD-FXAWDEMLSA-N	1	3	342.487	1.895	20	30		EDEDHO
C[C@H]1C[N@@H+](CCOc2ccc(C#N)cc2)CC[C@H]1N1CCN(C)CC1	ZINC000372329089	156337778	/nfs/dbraw/zinc/33/77/78/156337778.db2.gz	AQMRKNCKJVUECD-FXAWDEMLSA-N	1	3	342.487	1.895	20	30		EDEDHO
C#CCN1CCC(C(=O)NCc2ccc(CC[NH+](C)C)cc2)CC1	ZINC000276225858	443671164	/nfs/dbraw/zinc/67/11/64/443671164.db2.gz	JORUMOLCCFJJSS-UHFFFAOYSA-N	1	3	327.472	1.752	20	30		EDEDHO
CCN1CCC[C@H]1CNC(=[NH2+])NCCn1cc(Br)cn1	ZINC000284978906	443805879	/nfs/dbraw/zinc/80/58/79/443805879.db2.gz	GPXRGHAYCQGMSS-LBPRGKRZSA-N	1	3	343.273	1.034	20	30		EDEDHO
C#CC[NH+]1CCC(C(=O)NC[C@@H](c2cccc(OC)c2)N(C)C)CC1	ZINC000299150772	443968106	/nfs/dbraw/zinc/96/81/06/443968106.db2.gz	MAQXDQRUXBHLIZ-IBGZPJMESA-N	1	3	343.471	1.759	20	30		EDEDHO
CN1CCN(CCNC(=[NH2+])Nc2ccc3c(c2)CCC3)CC1(C)C	ZINC000281656867	443971771	/nfs/dbraw/zinc/97/17/71/443971771.db2.gz	CAXGXRKTRFMVLM-UHFFFAOYSA-N	1	3	329.492	1.928	20	30		EDEDHO
CN1CCC(Nc2nc(NC3CC[NH+](C)CC3)ccc2C#N)CC1	ZINC000278340045	444143107	/nfs/dbraw/zinc/14/31/07/444143107.db2.gz	IYESKTULBFPVKA-UHFFFAOYSA-N	1	3	328.464	1.965	20	30		EDEDHO
N#Cc1cccc(CN2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)c1	ZINC000325808323	444369422	/nfs/dbraw/zinc/36/94/22/444369422.db2.gz	OWSBAAKBNPENLZ-ROUUACIJSA-N	1	3	326.444	1.638	20	30		EDEDHO
CC(C#N)C(=O)N1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1	ZINC000342111275	445177723	/nfs/dbraw/zinc/17/77/23/445177723.db2.gz	KJSAGVBYPMBEQZ-FUHWJXTLSA-N	1	3	326.444	1.565	20	30		EDEDHO
CC(C#N)C(=O)N1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1	ZINC000342111275	445177725	/nfs/dbraw/zinc/17/77/25/445177725.db2.gz	KJSAGVBYPMBEQZ-FUHWJXTLSA-N	1	3	326.444	1.565	20	30		EDEDHO
C[C@H]1C[N@H+](CCOc2ccccc2C#N)CC[C@@H]1N1CCN(C)CC1	ZINC000362701029	445507640	/nfs/dbraw/zinc/50/76/40/445507640.db2.gz	DYXHRVCULTXBLF-HKUYNNGSSA-N	1	3	342.487	1.895	20	30		EDEDHO
C[C@H]1C[N@@H+](CCOc2ccccc2C#N)CC[C@@H]1N1CCN(C)CC1	ZINC000362701029	445507642	/nfs/dbraw/zinc/50/76/42/445507642.db2.gz	DYXHRVCULTXBLF-HKUYNNGSSA-N	1	3	342.487	1.895	20	30		EDEDHO
Cn1cc(CNCCOCC[NH+](C)C)c(-c2ccc(C#N)cc2)n1	ZINC000354208169	446003253	/nfs/dbraw/zinc/00/32/53/446003253.db2.gz	VIEWQGSCDNJXAK-UHFFFAOYSA-N	1	3	327.432	1.627	20	30		EDEDHO
C=CCN1CCC(NC(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)CC1	ZINC000433334397	446556609	/nfs/dbraw/zinc/55/66/09/446556609.db2.gz	HKWQSFPMFZETNN-MRXNPFEDSA-N	1	3	338.496	1.437	20	30		EDEDHO
C=CCN1CCC(NC(=O)NCCC[N@H+]2CCCO[C@H](C)C2)CC1	ZINC000433334397	446556615	/nfs/dbraw/zinc/55/66/15/446556615.db2.gz	HKWQSFPMFZETNN-MRXNPFEDSA-N	1	3	338.496	1.437	20	30		EDEDHO
CC[NH+]1CCC(N2CCCN(Cc3cc(C#N)n(C)c3)CC2)CC1	ZINC000421366066	447143603	/nfs/dbraw/zinc/14/36/03/447143603.db2.gz	CGCMZVIEMTXUDZ-UHFFFAOYSA-N	1	3	329.492	1.889	20	30		EDEDHO
CC(C)[C@]1(CO)CCN(CC#CC[N@@H+]2CC[C@@](CO)(C(C)C)C2)C1	ZINC000377648281	447269856	/nfs/dbraw/zinc/26/98/56/447269856.db2.gz	GHQDNDXUQBDDIM-WOJBJXKFSA-N	1	3	336.520	1.671	20	30		EDEDHO
CC(C)[C@]1(CO)CCN(CC#CC[N@H+]2CC[C@@](CO)(C(C)C)C2)C1	ZINC000377648281	447269860	/nfs/dbraw/zinc/26/98/60/447269860.db2.gz	GHQDNDXUQBDDIM-WOJBJXKFSA-N	1	3	336.520	1.671	20	30		EDEDHO
CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCC(C)(C)CC#N	ZINC000459262187	447625741	/nfs/dbraw/zinc/62/57/41/447625741.db2.gz	UIDUHAHDIHKDKF-INIZCTEOSA-N	1	3	337.512	1.984	20	30		EDEDHO
CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCC(C)(C)CC#N	ZINC000459262187	447625747	/nfs/dbraw/zinc/62/57/47/447625747.db2.gz	UIDUHAHDIHKDKF-INIZCTEOSA-N	1	3	337.512	1.984	20	30		EDEDHO
C[NH+]1CCC(N2CCC(NC(=O)Nc3cccc(C#N)n3)CC2)CC1	ZINC000566197885	448412299	/nfs/dbraw/zinc/41/22/99/448412299.db2.gz	CVZWNKQOSDDWEM-UHFFFAOYSA-N	1	3	342.447	1.633	20	30		EDEDHO
C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N(C)Cc1cccc(C#N)c1	ZINC000596701026	449613851	/nfs/dbraw/zinc/61/38/51/449613851.db2.gz	SYDGAFUBOAACNS-INIZCTEOSA-N	1	3	345.491	1.972	20	30		EDEDHO
C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N(C)Cc1cccc(C#N)c1	ZINC000596701026	449613855	/nfs/dbraw/zinc/61/38/55/449613855.db2.gz	SYDGAFUBOAACNS-INIZCTEOSA-N	1	3	345.491	1.972	20	30		EDEDHO
COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)[C@H](N)CCCC#N)cc1F	ZINC000595256659	449980064	/nfs/dbraw/zinc/98/00/64/449980064.db2.gz	QAZJOHRARSTNNR-IMJJTQAJSA-N	1	3	348.422	1.417	20	30		EDEDHO
CCN(CC)C(=[NH2+])NCCCN1CCN(Cc2ccccc2)CC1	ZINC000104169447	527980939	/nfs/dbraw/zinc/98/09/39/527980939.db2.gz	GHEHBAAQMSYFQI-UHFFFAOYSA-N	1	3	331.508	1.851	20	30		EDEDHO
C#Cc1ccc(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cn1	ZINC000728863531	578553317	/nfs/dbraw/zinc/55/33/17/578553317.db2.gz	VSTUFJWYGXMHIY-UHFFFAOYSA-N	1	3	326.444	1.351	20	30		EDEDHO
CC(C)(C)[NH+]=C(NC[C@@H]1CCCO1)NC[C@@H]1CN2CCC[C@H]2CO1	ZINC000912508506	593101359	/nfs/dbraw/zinc/10/13/59/593101359.db2.gz	PMUQBPCXRRSROE-HRCADAONSA-N	1	3	338.496	1.362	20	30		EDEDHO
CN1CCC(N2CC[C@@H]([NH2+]C[C@H](O)c3ccc(C#N)cc3)C2)CC1	ZINC000819052812	593735868	/nfs/dbraw/zinc/73/58/68/593735868.db2.gz	FAWCMNYSRIQGLL-MJGOQNOKSA-N	1	3	328.460	1.350	20	30		EDEDHO
N#Cc1ccc([C@@H](O)C[NH2+]C2CCN(C[C@@H]3CCOC3)CC2)cc1	ZINC000819083967	593737857	/nfs/dbraw/zinc/73/78/57/593737857.db2.gz	IYEKUWZXXFNQDS-LPHOPBHVSA-N	1	3	329.444	1.682	20	30		EDEDHO
CCN(CC)[C@H](CNC(NCCN1CCOCC1)=[NH+]C)CC(C)C	ZINC000849054851	595476054	/nfs/dbraw/zinc/47/60/54/595476054.db2.gz	VOKAPNPCLZCPRQ-KRWDZBQOSA-N	1	3	341.544	1.240	20	30		EDEDHO
C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCc1ccc(C#N)cn1	ZINC000854010592	595951784	/nfs/dbraw/zinc/95/17/84/595951784.db2.gz	RDWISMMZEHUJRK-AWEZNQCLSA-N	1	3	332.452	1.024	20	30		EDEDHO
C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCc1ccc(C#N)cn1	ZINC000854010592	595951786	/nfs/dbraw/zinc/95/17/86/595951786.db2.gz	RDWISMMZEHUJRK-AWEZNQCLSA-N	1	3	332.452	1.024	20	30		EDEDHO
C=C(Cl)C[C@H](N)C(=O)NCCc1ccc(OCC[NH+](C)C)cc1	ZINC000876754759	597322700	/nfs/dbraw/zinc/32/27/00/597322700.db2.gz	PLWYXKNYSLGIOO-INIZCTEOSA-N	1	3	339.867	1.756	20	30		EDEDHO
C=CCN1CCC(NC(=O)c2c(C)cnn2[C@@H]2CCC[NH2+]C2)CC1	ZINC000876756172	597324617	/nfs/dbraw/zinc/32/46/17/597324617.db2.gz	PPTLPASQZLSFOA-MRXNPFEDSA-N	1	3	331.464	1.496	20	30		EDEDHO
C#CCOc1ccc([C@@H](C)[NH2+]CCCN2CCC[C@H](C(N)=O)C2)cc1	ZINC000128029497	597730155	/nfs/dbraw/zinc/73/01/55/597730155.db2.gz	IKJYFECXKBTFQZ-AEFFLSMTSA-N	1	3	343.471	1.937	20	30		EDEDHO
C#CCCN1CCC[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@@H]1C	ZINC000993371140	696022024	/nfs/dbraw/zinc/02/20/24/696022024.db2.gz	YPJUBPCKZNBFTN-HOTGVXAUSA-N	1	3	331.464	1.051	20	30		EDEDHO
C#CCN1CCC(C(=O)NCC2C[NH+](CCC3CCCC3)C2)CC1	ZINC001032207141	702175724	/nfs/dbraw/zinc/17/57/24/702175724.db2.gz	FNKPHBVQVKESKH-UHFFFAOYSA-N	1	3	331.504	1.960	20	30		EDEDHO
N#Cc1ccc(C[NH2+]C2CCN(C(=O)CN3CCCC3)CC2)c(F)c1	ZINC000997307427	703565640	/nfs/dbraw/zinc/56/56/40/703565640.db2.gz	QUELTXXLEVWOMC-UHFFFAOYSA-N	1	3	344.434	1.874	20	30		EDEDHO
C=CCN[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)CC[C@@H]1C(F)(F)F	ZINC000998305747	705709642	/nfs/dbraw/zinc/70/96/42/705709642.db2.gz	SHNVGDHDOYEOEW-QWHCGFSZSA-N	1	3	331.382	1.637	20	30		EDEDHO
C[C@H]1CCN(CC(=O)N(C)C2CC([NH2+]Cc3ccc(C#N)cc3)C2)C1	ZINC000999409832	706919795	/nfs/dbraw/zinc/91/97/95/706919795.db2.gz	TZKCPIPFQRTMLO-MNNVXMFVSA-N	1	3	340.471	1.979	20	30		EDEDHO
C#CCN1CCC(C2(NC(=O)[C@H]3CC[C@H]4CCCC[N@@H+]43)CC2)CC1	ZINC001000187156	707824044	/nfs/dbraw/zinc/82/40/44/707824044.db2.gz	ZRKGOFQTKGKIQF-QZTJIDSGSA-N	1	3	329.488	1.997	20	30		EDEDHO
C#CCN1CCC(C2(NC(=O)[C@H]3CC[C@H]4CCCC[N@H+]43)CC2)CC1	ZINC001000187156	707824057	/nfs/dbraw/zinc/82/40/57/707824057.db2.gz	ZRKGOFQTKGKIQF-QZTJIDSGSA-N	1	3	329.488	1.997	20	30		EDEDHO
CCN1CCN(Cc2ccccc2CNC(=[NH2+])NCC(C)C)CC1	ZINC000264099033	249336113	/nfs/dbraw/zinc/33/61/13/249336113.db2.gz	NPPKNIQVUDYADC-UHFFFAOYSA-N	1	3	331.508	1.884	20	30		EDEDHO
N#Cc1ncn(CC[NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@H]23)n1	ZINC000367520756	154158713	/nfs/dbraw/zinc/15/87/13/154158713.db2.gz	YPDGBIDJCFHKBV-FGTMMUONSA-N	1	3	336.443	1.650	20	30		EDEDHO
N#Cc1ncn(CCN[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)n1	ZINC000367520756	154158715	/nfs/dbraw/zinc/15/87/15/154158715.db2.gz	YPDGBIDJCFHKBV-FGTMMUONSA-N	1	3	336.443	1.650	20	30		EDEDHO
N#Cc1ncn(CCN[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)n1	ZINC000367520756	154158719	/nfs/dbraw/zinc/15/87/19/154158719.db2.gz	YPDGBIDJCFHKBV-FGTMMUONSA-N	1	3	336.443	1.650	20	30		EDEDHO
C#CCN1CCC(C(=O)NCc2ccc(OCC[NH+](C)C)cc2)CC1	ZINC000057174356	441096463	/nfs/dbraw/zinc/09/64/63/441096463.db2.gz	IJOUXIHPVKIXIR-UHFFFAOYSA-N	1	3	343.471	1.588	20	30		EDEDHO
C[NH+]=C(NCc1nccn1C(F)F)N[C@H]1CN(C(C)C)C[C@@H]1C	ZINC000158407187	441734781	/nfs/dbraw/zinc/73/47/81/441734781.db2.gz	JPKKJGOGFSGKRH-RYUDHWBXSA-N	1	3	328.411	1.672	20	30		EDEDHO
C[C@@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)c1ccc(C#N)cc1	ZINC000077777746	441858895	/nfs/dbraw/zinc/85/88/95/441858895.db2.gz	IIVQKGGFLWRFGU-OAHLLOKOSA-N	1	3	331.464	1.754	20	30		EDEDHO
CCN1CCC[C@H]1CNC(=[NH2+])NCCOCc1ccc(OC)cc1	ZINC000092854074	441834914	/nfs/dbraw/zinc/83/49/14/441834914.db2.gz	NSMFRBXTVUCCIK-INIZCTEOSA-N	1	3	334.464	1.600	20	30		EDEDHO
CCN1CCN(C[C@@H](C)CNC(=[NH2+])NCc2ccccc2OC)CC1	ZINC000170906972	442286781	/nfs/dbraw/zinc/28/67/81/442286781.db2.gz	LYUNUZVKKIVXNK-INIZCTEOSA-N	1	3	347.507	1.373	20	30		EDEDHO
CCOCCCNC(=[NH2+])NC[C@@H]1CN(Cc2ccccc2)CCCO1	ZINC000190537130	443130718	/nfs/dbraw/zinc/13/07/18/443130718.db2.gz	IUWRKWSVSKXHOB-GOSISDBHSA-N	1	3	348.491	1.608	20	30		EDEDHO
C[NH+]=C(NC[C@]1(O)CCc2ccccc21)N[C@@H]1CN(C(C)C)C[C@H]1C	ZINC000262005246	443179348	/nfs/dbraw/zinc/17/93/48/443179348.db2.gz	VLKKWEFKLPZRCH-XFQXTVEOSA-N	1	3	344.503	1.714	20	30		EDEDHO
Cc1cc(C)cc(NC(=[NH2+])NCCCN2CCC[C@H]2C(=O)N(C)C)c1	ZINC000264311794	443260061	/nfs/dbraw/zinc/26/00/61/443260061.db2.gz	VDBIGEPMYQIXID-KRWDZBQOSA-N	1	3	345.491	1.973	20	30		EDEDHO
C=CCN(CC=C)[C@H](CNC(=O)c1cc([C@H]2CC[NH2+]C2)n[nH]1)C(C)C	ZINC000279065763	443508206	/nfs/dbraw/zinc/50/82/06/443508206.db2.gz	SVJYMARQBJCGBU-MAUKXSAKSA-N	1	3	345.491	1.915	20	30		EDEDHO
CCN1CCC[C@H]1CNC(=[NH2+])NCCCCNC(=O)OC(C)(C)C	ZINC000305805216	444281285	/nfs/dbraw/zinc/28/12/85/444281285.db2.gz	GCLGOHDPELTBML-AWEZNQCLSA-N	1	3	341.500	1.680	20	30		EDEDHO
CN1CCC(C[NH2+]C[C@H](O)CC2(C#N)CC2)(N2CCCCC2)CC1	ZINC000600724196	449517752	/nfs/dbraw/zinc/51/77/52/449517752.db2.gz	MZOGRDYMUXNXBK-QGZVFWFLSA-N	1	3	334.508	1.581	20	30		EDEDHO
C#CCN1CCC[C@H](NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1	ZINC000905460852	592541442	/nfs/dbraw/zinc/54/14/42/592541442.db2.gz	OBCVYYGXBWSOMH-VQTJNVASSA-N	1	3	327.472	1.311	20	30		EDEDHO
C#CCN1CCC[C@H](NC[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1	ZINC000905460852	592541443	/nfs/dbraw/zinc/54/14/43/592541443.db2.gz	OBCVYYGXBWSOMH-VQTJNVASSA-N	1	3	327.472	1.311	20	30		EDEDHO
CC[NH+]1CCN(c2cccc(NC(=O)N[C@@H]3CNC[C@@H]3C#N)c2)CC1	ZINC000841194567	594866626	/nfs/dbraw/zinc/86/66/26/594866626.db2.gz	MTUUASCRQWSIDG-WMLDXEAASA-N	1	3	342.447	1.062	20	30		EDEDHO
C=C(C)CCN1CC(N2CCN(C(=O)C[N@H+]3CC[C@H](C)C3)CC2)C1	ZINC000941566707	701585382	/nfs/dbraw/zinc/58/53/82/701585382.db2.gz	KMGVYOOQVZEAQU-KRWDZBQOSA-N	1	3	334.508	1.123	20	30		EDEDHO
C=C(C)CCN1CC(N2CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)CC2)C1	ZINC000941566707	701585383	/nfs/dbraw/zinc/58/53/83/701585383.db2.gz	KMGVYOOQVZEAQU-KRWDZBQOSA-N	1	3	334.508	1.123	20	30		EDEDHO
C#CCN1CCC(C(=O)NCC2C[NH+](CCc3cccs3)C2)CC1	ZINC001032207293	702125238	/nfs/dbraw/zinc/12/52/38/702125238.db2.gz	LIHVLHMRPPOZIX-UHFFFAOYSA-N	1	3	345.512	1.684	20	30		EDEDHO
C#CCN1CCC(C(=O)N[C@H](C)C2CC[NH+]([C@H](C)COC)CC2)CC1	ZINC000997435708	703665207	/nfs/dbraw/zinc/66/52/07/703665207.db2.gz	ZLARLOOCQRZJAQ-IAGOWNOFSA-N	1	3	349.519	1.583	20	30		EDEDHO
C=C(C)CN1CC[C@@H](n2cc(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)nn2)C1	ZINC000999988416	707662428	/nfs/dbraw/zinc/66/24/28/707662428.db2.gz	UWAGEYFLSOONFS-DJIMGWMZSA-N	1	3	346.479	1.057	20	30		EDEDHO
C=C(C)CN1CC[C@@H](n2cc(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)nn2)C1	ZINC000999988416	707662432	/nfs/dbraw/zinc/66/24/32/707662432.db2.gz	UWAGEYFLSOONFS-DJIMGWMZSA-N	1	3	346.479	1.057	20	30		EDEDHO
C=CCC[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1	ZINC001034318646	709767842	/nfs/dbraw/zinc/76/78/42/709767842.db2.gz	CTMPRNNOIBQWKE-VIHIWDAPSA-N	1	3	333.476	1.396	20	30		EDEDHO
C=CCC[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1	ZINC001034318646	709767845	/nfs/dbraw/zinc/76/78/45/709767845.db2.gz	CTMPRNNOIBQWKE-VIHIWDAPSA-N	1	3	333.476	1.396	20	30		EDEDHO
CC[NH+]=C(NCC1(N2CCCC2)CCOCC1)N1CCC(O)CC1	ZINC000086324715	711620853	/nfs/dbraw/zinc/62/08/53/711620853.db2.gz	CIKXGMOUSQNRJV-UHFFFAOYSA-N	1	3	338.496	1.054	20	30		EDEDHO
C#CCN1CCC(C(=O)Nc2ccc(OCC[NH+](C)C)cc2)CC1	ZINC000067204790	215124166	/nfs/dbraw/zinc/12/41/66/215124166.db2.gz	DPSVXPIAMURLLA-UHFFFAOYSA-N	1	3	329.444	1.911	20	30		EDEDHO
C[C@@H](Oc1ccccc1C#N)C(=O)N(CCN(C)C)CC[NH+](C)C	ZINC000103212463	441178167	/nfs/dbraw/zinc/17/81/67/441178167.db2.gz	OKTPAAHWSANMQL-OAHLLOKOSA-N	1	3	332.448	1.277	20	30		EDEDHO
C#CCN1CCC(C(=O)N[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)CC1	ZINC000184076849	442989315	/nfs/dbraw/zinc/98/93/15/442989315.db2.gz	SQCYJCUSKLPILC-XLIONFOSSA-N	1	3	339.483	1.968	20	30		EDEDHO
C#CCN1CCC(C(=O)N[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)CC1	ZINC000184076849	442989316	/nfs/dbraw/zinc/98/93/16/442989316.db2.gz	SQCYJCUSKLPILC-XLIONFOSSA-N	1	3	339.483	1.968	20	30		EDEDHO
CC(C)CNC(=[NH2+])NCc1cccc(CN2CCC[C@@H](C(N)=O)C2)c1	ZINC000267445340	443460052	/nfs/dbraw/zinc/46/00/52/443460052.db2.gz	PXJGCSUIMUNIRT-QGZVFWFLSA-N	1	3	345.491	1.444	20	30		EDEDHO
C#CC[N@@H+](C)CCCN[C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1	ZINC000328228878	444386281	/nfs/dbraw/zinc/38/62/81/444386281.db2.gz	CFFBARNYQIBWSD-HNNXBMFYSA-N	1	3	337.489	1.543	20	30		EDEDHO
C#CC[N@H+](C)CCCN[C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1	ZINC000328228878	444386285	/nfs/dbraw/zinc/38/62/85/444386285.db2.gz	CFFBARNYQIBWSD-HNNXBMFYSA-N	1	3	337.489	1.543	20	30		EDEDHO
C[C@H](NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)[C@@H]1CCOC1	ZINC000329371937	444553596	/nfs/dbraw/zinc/55/35/96/444553596.db2.gz	JDRZSHWXKNOEIA-LSDHHAIUSA-N	1	3	338.496	1.474	20	30		EDEDHO
CC(C#N)C(=O)N1CCN(c2ccccc2OCC[NH+](C)C)CC1	ZINC000523418798	447885026	/nfs/dbraw/zinc/88/50/26/447885026.db2.gz	FMNVVKRCKURXIL-OAHLLOKOSA-N	1	3	330.432	1.435	20	30		EDEDHO
CC[NH+]1CCC(N2CCC(C(=O)N[C@@]3(C#N)CC3(C)C)CC2)CC1	ZINC000576238864	448008330	/nfs/dbraw/zinc/00/83/30/448008330.db2.gz	LFKFHAYGPTXFFY-LJQANCHMSA-N	1	3	332.492	1.991	20	30		EDEDHO
COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)[C@H](N)CCCCC#N)cc1	ZINC000595256730	449979787	/nfs/dbraw/zinc/97/97/87/449979787.db2.gz	RHOPLKPDQOPTPH-KSZLIROESA-N	1	3	344.459	1.668	20	30		EDEDHO
COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)[C@@H](N)CCCC#N)cc1F	ZINC000595256657	449980442	/nfs/dbraw/zinc/98/04/42/449980442.db2.gz	QAZJOHRARSTNNR-BPUTZDHNSA-N	1	3	348.422	1.417	20	30		EDEDHO
CCN1CCC[C@H]1CNC(=[NH2+])NCCc1cccc(C(=O)OC)c1	ZINC000132407172	529100748	/nfs/dbraw/zinc/10/07/48/529100748.db2.gz	JNNVQTGQQCBTGB-INIZCTEOSA-N	1	3	332.448	1.404	20	30		EDEDHO
C=C(CC[NH+](C)C)C(=O)Nc1ccc(C(=O)NCCN(C)C)cc1	ZINC000900178016	591940319	/nfs/dbraw/zinc/94/03/19/591940319.db2.gz	ZKRMBYJOPXEQDE-UHFFFAOYSA-N	1	3	332.448	1.424	20	30		EDEDHO
N#Cc1c(CONC(=N)[C@H]2CN3CCC[C@H]3CO2)cn2ccccc12	ZINC000902810627	592068134	/nfs/dbraw/zinc/06/81/34/592068134.db2.gz	YBVIULQEZLHQJT-WMLDXEAASA-N	1	3	339.399	1.673	20	30		EDEDHO
N#Cc1c(CONC(=N)[C@H]2C[N@@H+]3CCC[C@H]3CO2)cn2ccccc12	ZINC000902810627	592068137	/nfs/dbraw/zinc/06/81/37/592068137.db2.gz	YBVIULQEZLHQJT-WMLDXEAASA-N	1	3	339.399	1.673	20	30		EDEDHO
N#Cc1c(CONC(=N)[C@H]2C[N@H+]3CCC[C@H]3CO2)cn2ccccc12	ZINC000902810627	592068140	/nfs/dbraw/zinc/06/81/40/592068140.db2.gz	YBVIULQEZLHQJT-WMLDXEAASA-N	1	3	339.399	1.673	20	30		EDEDHO
C=C(Cl)C[C@H](N)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1	ZINC000876965535	597400183	/nfs/dbraw/zinc/40/01/83/597400183.db2.gz	FUGOSWDKEJNTEX-QLFBSQMISA-N	1	3	325.815	1.857	20	30		EDEDHO
C#CCN1CCC(C(=O)NCC2C[NH+](CC[C@H]3CCCCO3)C2)CC1	ZINC001032206580	702153165	/nfs/dbraw/zinc/15/31/65/702153165.db2.gz	DIMOVIUPGHCXTO-LJQANCHMSA-N	1	3	347.503	1.339	20	30		EDEDHO
C#CCN1CC[C@@H](CN(Cc2cccnc2)C(=O)[C@H]2CC[N@@H+](C)C2)C1	ZINC000995266435	703182007	/nfs/dbraw/zinc/18/20/07/703182007.db2.gz	HMYIJKZVYXRZEU-MOPGFXCFSA-N	1	3	340.471	1.317	20	30		EDEDHO
C#CCN1CC[C@@H](CN(Cc2cccnc2)C(=O)[C@H]2CC[N@H+](C)C2)C1	ZINC000995266435	703182008	/nfs/dbraw/zinc/18/20/08/703182008.db2.gz	HMYIJKZVYXRZEU-MOPGFXCFSA-N	1	3	340.471	1.317	20	30		EDEDHO
C#CCN1CCC(C(=O)N[C@H](C)C2CC[NH+](C[C@@H](C)OC)CC2)CC1	ZINC000997433653	703664567	/nfs/dbraw/zinc/66/45/67/703664567.db2.gz	IQTFPDWKJZKJGD-IAGOWNOFSA-N	1	3	349.519	1.583	20	30		EDEDHO
CN(C(=O)[C@@H]1CC[N@H+](C)C1)C1CC(NCc2cc(C#N)ccc2F)C1	ZINC000999833610	707463785	/nfs/dbraw/zinc/46/37/85/707463785.db2.gz	AJIYJJLORKMAGY-ODIFPOPNSA-N	1	3	344.434	1.728	20	30		EDEDHO
CN(C(=O)[C@@H]1CC[N@@H+](C)C1)C1CC(NCc2cc(C#N)ccc2F)C1	ZINC000999833610	707463789	/nfs/dbraw/zinc/46/37/89/707463789.db2.gz	AJIYJJLORKMAGY-ODIFPOPNSA-N	1	3	344.434	1.728	20	30		EDEDHO
C=C(C)CC[N@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1	ZINC001033907166	709038510	/nfs/dbraw/zinc/03/85/10/709038510.db2.gz	QSYUMQWBFUXFJL-NNVNDSJASA-N	1	3	347.503	1.739	20	30		EDEDHO
C=C(C)CC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1	ZINC001033907166	709038512	/nfs/dbraw/zinc/03/85/12/709038512.db2.gz	QSYUMQWBFUXFJL-NNVNDSJASA-N	1	3	347.503	1.739	20	30		EDEDHO
CN(C)[C@@H](C(=O)N1CCC[C@@H]1C[NH2+]Cc1cccc(C#N)c1)C1CC1	ZINC001034958917	711433411	/nfs/dbraw/zinc/43/34/11/711433411.db2.gz	OWRBEOJQTWRDMO-RTBURBONSA-N	1	3	340.471	1.979	20	30		EDEDHO
N#Cc1ccc(CN2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)cc1	ZINC000261786704	139225886	/nfs/dbraw/zinc/22/58/86/139225886.db2.gz	YLAVCEIKFLCRJD-QZTJIDSGSA-N	1	3	326.444	1.638	20	30		EDEDHO
Cn1cc(CN2CCC(C)(C[NH+]3CCN(C)CC3)CC2)cc1C#N	ZINC000366801281	153925250	/nfs/dbraw/zinc/92/52/50/153925250.db2.gz	XANZPLLQLALFFK-UHFFFAOYSA-N	1	3	329.492	1.746	20	30		EDEDHO
CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@](C)(O)c1ccccc1Cl	ZINC000154568036	442346019	/nfs/dbraw/zinc/34/60/19/442346019.db2.gz	NVTTVVRRTXMXJC-DYVFJYSZSA-N	1	3	338.883	1.936	20	30		EDEDHO
C=CC[NH+]=C(NCc1nnc(C)n1C)N1CC[C@H](N2CCCCC2)C1	ZINC000261958568	443176168	/nfs/dbraw/zinc/17/61/68/443176168.db2.gz	JMRJPCRVRSEXII-INIZCTEOSA-N	1	3	345.495	1.315	20	30		EDEDHO
CN(CCCN(C)Cc1cnc2ccc(C#N)cn12)CC[NH+](C)C	ZINC000570762337	321356219	/nfs/dbraw/zinc/35/62/19/321356219.db2.gz	RRUKSFWDQLBTCU-UHFFFAOYSA-N	1	3	328.464	1.521	20	30		EDEDHO
C[C@H](CNC(=O)N1CCC([N@H+](C)CCO)CC1)N1CCC[C@@H](C)C1	ZINC000331143477	444414974	/nfs/dbraw/zinc/41/49/74/444414974.db2.gz	YJDYBNDFXRAQDA-HZPDHXFCSA-N	1	3	340.512	1.409	20	30		EDEDHO
C[C@H](CNC(=O)N1CCC([N@@H+](C)CCO)CC1)N1CCC[C@@H](C)C1	ZINC000331143477	444414979	/nfs/dbraw/zinc/41/49/79/444414979.db2.gz	YJDYBNDFXRAQDA-HZPDHXFCSA-N	1	3	340.512	1.409	20	30		EDEDHO
C[C@@H]1CC[C@@](CO)(N(C)CC#CC[N@H+](C)[C@@]2(CO)CC[C@@H](C)C2)C1	ZINC000342168973	444545803	/nfs/dbraw/zinc/54/58/03/444545803.db2.gz	OVNOUZSETNDTFY-WTGUMLROSA-N	1	3	336.520	1.956	20	30		EDEDHO
C[C@@H]1CC[C@@](CO)(N(C)CC#CC[N@@H+](C)[C@@]2(CO)CC[C@@H](C)C2)C1	ZINC000342168973	444545808	/nfs/dbraw/zinc/54/58/08/444545808.db2.gz	OVNOUZSETNDTFY-WTGUMLROSA-N	1	3	336.520	1.956	20	30		EDEDHO
C[C@@H]1CC[C@@](CO)([N@@H+](C)CC#CCN(C)[C@@]2(CO)CC[C@@H](C)C2)C1	ZINC000342168973	444545811	/nfs/dbraw/zinc/54/58/11/444545811.db2.gz	OVNOUZSETNDTFY-WTGUMLROSA-N	1	3	336.520	1.956	20	30		EDEDHO
C[C@@H]1CC[C@@](CO)([N@H+](C)CC#CCN(C)[C@@]2(CO)CC[C@@H](C)C2)C1	ZINC000342168973	444545814	/nfs/dbraw/zinc/54/58/14/444545814.db2.gz	OVNOUZSETNDTFY-WTGUMLROSA-N	1	3	336.520	1.956	20	30		EDEDHO
C[C@H]([NH2+]CCCCN1CCN(CCO)CC1)c1cccc(C#N)c1	ZINC000344116036	444789235	/nfs/dbraw/zinc/78/92/35/444789235.db2.gz	FULVORSKHSZRDK-KRWDZBQOSA-N	1	3	330.476	1.599	20	30		EDEDHO
CC[C@]1(O)CCN(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C1	ZINC000330286112	444923445	/nfs/dbraw/zinc/92/34/45/444923445.db2.gz	ZOCPNJLVFYBTQA-SFHVURJKSA-N	1	3	338.496	1.306	20	30		EDEDHO
CC(C#N)C(=O)NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1	ZINC000347102122	445231711	/nfs/dbraw/zinc/23/17/11/445231711.db2.gz	HMNMQKQWYMODGF-XJKSGUPXSA-N	1	3	328.416	1.160	20	30		EDEDHO
CC(C#N)C(=O)NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1	ZINC000347102122	445231712	/nfs/dbraw/zinc/23/17/12/445231712.db2.gz	HMNMQKQWYMODGF-XJKSGUPXSA-N	1	3	328.416	1.160	20	30		EDEDHO
CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CCC[C@H]([NH3+])C1	ZINC000418566607	446597666	/nfs/dbraw/zinc/59/76/66/446597666.db2.gz	AMVGLBBCSVDIJI-ROUUACIJSA-N	1	3	343.475	1.901	20	30		EDEDHO
C#CCN1CCC(C(=O)N2C[C@@H](SC)[C@@H]([NH+]3CCCC3)C2)CC1	ZINC000491020213	447917124	/nfs/dbraw/zinc/91/71/24/447917124.db2.gz	FPFKBVIFOQTMEY-DLBZAZTESA-N	1	3	335.517	1.370	20	30		EDEDHO
C[C@@H]1C[C@H](NC[C@@H](O)CN(C)CCC#N)CC[N@@H+]1Cc1ccccc1	ZINC000576389722	448042251	/nfs/dbraw/zinc/04/22/51/448042251.db2.gz	AAPAMYCUXIGWRA-MISYRCLQSA-N	1	3	344.503	1.835	20	30		EDEDHO
C[C@@H]1C[C@H](NC[C@@H](O)CN(C)CCC#N)CC[N@H+]1Cc1ccccc1	ZINC000576389722	448042252	/nfs/dbraw/zinc/04/22/52/448042252.db2.gz	AAPAMYCUXIGWRA-MISYRCLQSA-N	1	3	344.503	1.835	20	30		EDEDHO
CCN1CCN(Cc2ccc(NC(=O)[C@H]([NH3+])CCCC#N)cc2)CC1	ZINC000570714888	448053547	/nfs/dbraw/zinc/05/35/47/448053547.db2.gz	WBECKMJGRBEJLR-GOSISDBHSA-N	1	3	343.475	1.784	20	30		EDEDHO
C#CCN(C)CCCNC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1	ZINC000491805355	448133665	/nfs/dbraw/zinc/13/36/65/448133665.db2.gz	OECKXSSFTJOUJH-SJLPKXTDSA-N	1	3	332.492	1.600	20	30		EDEDHO
C#CCN(C)CCCNC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1	ZINC000491805355	448133670	/nfs/dbraw/zinc/13/36/70/448133670.db2.gz	OECKXSSFTJOUJH-SJLPKXTDSA-N	1	3	332.492	1.600	20	30		EDEDHO
C[NH+](C)C1CCN(c2ccc(NC(=O)[C@H](N)CCCC#N)nc2)CC1	ZINC000565949178	448385605	/nfs/dbraw/zinc/38/56/05/448385605.db2.gz	RDOFUMLHRUOIKK-MRXNPFEDSA-N	1	3	344.463	1.572	20	30		EDEDHO
CN(CCC[NH+](C)C)CCNC(=O)C(C#N)Cc1ccc(C#N)cc1	ZINC000597989343	449172975	/nfs/dbraw/zinc/17/29/75/449172975.db2.gz	DXXZTEMYXROBDG-SFHVURJKSA-N	1	3	341.459	1.240	20	30		EDEDHO
COc1ccc2ncc(C#N)c(NCC[N@H+](C)CCCN(C)C)c2c1	ZINC000596425889	449497164	/nfs/dbraw/zinc/49/71/64/449497164.db2.gz	YDMNKZHISJWBDY-UHFFFAOYSA-N	1	3	341.459	1.832	20	30		EDEDHO
COc1ccc2ncc(C#N)c(NCC[N@@H+](C)CCCN(C)C)c2c1	ZINC000596425889	449497169	/nfs/dbraw/zinc/49/71/69/449497169.db2.gz	YDMNKZHISJWBDY-UHFFFAOYSA-N	1	3	341.459	1.832	20	30		EDEDHO
CC(C)N1CCN([C@@H]2CCN(C(=O)[C@@H]([NH3+])CCCCC#N)C2)CC1	ZINC000594439938	449519241	/nfs/dbraw/zinc/51/92/41/449519241.db2.gz	WNHYJCYTOYFNHW-SJORKVTESA-N	1	3	335.496	1.025	20	30		EDEDHO
C=CC[C@]1(C(=O)NCC2(N(C)C)Cc3ccccc3C2)CCC[NH2+]1	ZINC000662742132	453469666	/nfs/dbraw/zinc/46/96/66/453469666.db2.gz	STXBSNLJJPGIGS-HXUWFJFHSA-N	1	3	327.472	1.900	20	30		EDEDHO
COc1ccc(NC(=[NH2+])NCCN2CCCN(C)CC2)cc1OC	ZINC000104175086	533990078	/nfs/dbraw/zinc/99/00/78/533990078.db2.gz	KQKKWMQICJQLMG-UHFFFAOYSA-N	1	3	335.452	1.068	20	30		EDEDHO
CN(C)c1ccc(C#N)cc1C[NH2+]CCCCN1CCN(C)CC1	ZINC000865413108	596567057	/nfs/dbraw/zinc/56/70/57/596567057.db2.gz	YCRQCASRNMDCOH-UHFFFAOYSA-N	1	3	329.492	1.741	20	30		EDEDHO
C=C(Cl)C[C@@H](N)C(=O)N[C@H]1C[NH2+]CC[C@H]1c1ccc(OC)cc1	ZINC000876964431	597399690	/nfs/dbraw/zinc/39/96/90/597399690.db2.gz	FFWQUPRSARHLCP-XHSDSOJGSA-N	1	3	337.851	1.727	20	30		EDEDHO
N#C[C@@H]1CNCC12CC(C(=O)Nc1ncc(C3CC[NH2+]CC3)s1)C2	ZINC000884338104	598073898	/nfs/dbraw/zinc/07/38/98/598073898.db2.gz	YOFLGIPBCNAALI-UIORMTCPSA-N	1	3	345.472	1.688	20	30		EDEDHO
C=CCN1CCC(NC(=O)NC[C@@H]2CC[N@@H+]2C2CCOCC2)CC1	ZINC000917141356	696953262	/nfs/dbraw/zinc/95/32/62/696953262.db2.gz	BXPPOBHCQWNKNT-KRWDZBQOSA-N	1	3	336.480	1.189	20	30		EDEDHO
C=CCN1CCC(NC(=O)NC[C@@H]2CC[N@H+]2C2CCOCC2)CC1	ZINC000917141356	696953264	/nfs/dbraw/zinc/95/32/64/696953264.db2.gz	BXPPOBHCQWNKNT-KRWDZBQOSA-N	1	3	336.480	1.189	20	30		EDEDHO
C#CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CN3CC4CC3(C4)CO2)C(C)(C)C1	ZINC000940901661	700976600	/nfs/dbraw/zinc/97/66/00/700976600.db2.gz	PVPDEXXFZAVDDS-RXCRORICSA-N	1	3	345.487	1.090	20	30		EDEDHO
C#CCC[N@H+]1CC[C@H](NC(=O)[C@H]2CN3CC4CC3(C4)CO2)C(C)(C)C1	ZINC000940901661	700976601	/nfs/dbraw/zinc/97/66/01/700976601.db2.gz	PVPDEXXFZAVDDS-RXCRORICSA-N	1	3	345.487	1.090	20	30		EDEDHO
C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCC(NCc2ccccc2C#N)CC1	ZINC000997004185	703261152	/nfs/dbraw/zinc/26/11/52/703261152.db2.gz	BXIFALVDUUPYMP-BEFAXECRSA-N	1	3	340.471	1.837	20	30		EDEDHO
C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCC(NCc2ccccc2C#N)CC1	ZINC000997004185	703261153	/nfs/dbraw/zinc/26/11/53/703261153.db2.gz	BXIFALVDUUPYMP-BEFAXECRSA-N	1	3	340.471	1.837	20	30		EDEDHO
C#CCN1CCC([C@@H](C)NC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)CC1	ZINC000997123631	703381636	/nfs/dbraw/zinc/38/16/36/703381636.db2.gz	ANCZIYDQHBEPMG-VQIMIIECSA-N	1	3	347.503	1.480	20	30		EDEDHO
C#CCN1CCC([C@@H](C)NC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)CC1	ZINC000997123631	703381637	/nfs/dbraw/zinc/38/16/37/703381637.db2.gz	ANCZIYDQHBEPMG-VQIMIIECSA-N	1	3	347.503	1.480	20	30		EDEDHO
C=CCC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CN3CC4CC3(C4)CO2)CC1	ZINC000997228924	703504521	/nfs/dbraw/zinc/50/45/21/703504521.db2.gz	PJIDYXIAQIYBAI-XDAPHXNSSA-N	1	3	347.503	1.642	20	30		EDEDHO
CN1CCC[C@@H]1C(=O)N1CCC(C[NH2+]Cc2ccc(C#N)cc2)CC1	ZINC000997607031	703905996	/nfs/dbraw/zinc/90/59/96/703905996.db2.gz	OBSFGFKXYZNCQH-LJQANCHMSA-N	1	3	340.471	1.981	20	30		EDEDHO
C[N@@H+]1CC[C@@H](C(=O)NCC2CCN(Cc3ccc(C#N)cc3)CC2)C1	ZINC001002121979	708635782	/nfs/dbraw/zinc/63/57/82/708635782.db2.gz	WZSIFRHHOMIFIV-LJQANCHMSA-N	1	3	340.471	1.838	20	30		EDEDHO
C[N@H+]1CC[C@@H](C(=O)NCC2CCN(Cc3ccc(C#N)cc3)CC2)C1	ZINC001002121979	708635785	/nfs/dbraw/zinc/63/57/85/708635785.db2.gz	WZSIFRHHOMIFIV-LJQANCHMSA-N	1	3	340.471	1.838	20	30		EDEDHO
COc1ccc([C@H](CNC(=O)[C@H]([NH3+])CCCC#N)N2CCCC2)cc1	ZINC000424127588	252134083	/nfs/dbraw/zinc/13/40/83/252134083.db2.gz	BDNXMMLWLQVIPW-MSOLQXFVSA-N	1	3	344.459	1.969	20	30		EDEDHO
CCN1CCN(c2ccccc2C[NH2+]CCn2cnc(C#N)n2)CC1	ZINC000353013701	276203699	/nfs/dbraw/zinc/20/36/99/276203699.db2.gz	AYWWOMHNWQBNPO-UHFFFAOYSA-N	1	3	339.447	1.081	20	30		EDEDHO
C[NH+]=C(NCc1ccc(C(N)=O)o1)N1CC[C@@H](N2CCCCC2)C1	ZINC000262340882	443191215	/nfs/dbraw/zinc/19/12/15/443191215.db2.gz	COYZAFWDHPXKSU-CYBMUJFWSA-N	1	3	333.436	1.014	20	30		EDEDHO
CCN1CCN(Cc2ccc(CNC(NC3CC3)=[NH+]C)cc2)CC1	ZINC000264061945	443247859	/nfs/dbraw/zinc/24/78/59/443247859.db2.gz	PRCDLEBWKVKNMG-UHFFFAOYSA-N	1	3	329.492	1.652	20	30		EDEDHO
CCOC(=O)c1ccc(CNC(=[NH2+])NC[C@@H]2CCCN2CC)cc1	ZINC000264116366	443249573	/nfs/dbraw/zinc/24/95/73/443249573.db2.gz	SRSBEFKXEPRARL-INIZCTEOSA-N	1	3	332.448	1.752	20	30		EDEDHO
CCN1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(N2CCCC2)nc1	ZINC000264142106	443252269	/nfs/dbraw/zinc/25/22/69/443252269.db2.gz	WTUOHLXMGIRZCW-MRXNPFEDSA-N	1	3	330.480	1.570	20	30		EDEDHO
CCN1CCC[C@H]1CNC(=[NH2+])NCCc1cnn(-c2ccccc2)c1	ZINC000264137477	443253047	/nfs/dbraw/zinc/25/30/47/443253047.db2.gz	VOGUEGMRKPFAGG-SFHVURJKSA-N	1	3	340.475	1.803	20	30		EDEDHO
CCOc1cc(CNC(=[NH2+])NC[C@H]2CCCN2CC)ccc1OC	ZINC000267433035	443455925	/nfs/dbraw/zinc/45/59/25/443455925.db2.gz	NBAZCRSVFOEZOG-OAHLLOKOSA-N	1	3	334.464	1.983	20	30		EDEDHO
C[C@@H](O)[C@H]1C[C@H](C)CCN1CC#CC[N@@H+]1CC[C@H](C)C[C@@H]1[C@H](C)O	ZINC000342153841	444538199	/nfs/dbraw/zinc/53/81/99/444538199.db2.gz	CJUHZASVLZBAOR-WMDIELAYSA-N	1	3	336.520	1.952	20	30		EDEDHO
C[C@@H](O)[C@H]1C[C@H](C)CCN1CC#CC[N@H+]1CC[C@H](C)C[C@@H]1[C@H](C)O	ZINC000342153841	444538203	/nfs/dbraw/zinc/53/82/03/444538203.db2.gz	CJUHZASVLZBAOR-WMDIELAYSA-N	1	3	336.520	1.952	20	30		EDEDHO
C[C@@H](O)[C@H]1C[C@H](C)CC[N@H+]1CC#CCN1CC[C@H](C)C[C@@H]1[C@H](C)O	ZINC000342153841	444538206	/nfs/dbraw/zinc/53/82/06/444538206.db2.gz	CJUHZASVLZBAOR-WMDIELAYSA-N	1	3	336.520	1.952	20	30		EDEDHO
C[C@@H](O)[C@H]1C[C@H](C)CC[N@@H+]1CC#CCN1CC[C@H](C)C[C@@H]1[C@H](C)O	ZINC000342153841	444538211	/nfs/dbraw/zinc/53/82/11/444538211.db2.gz	CJUHZASVLZBAOR-WMDIELAYSA-N	1	3	336.520	1.952	20	30		EDEDHO
C[C@@H]1C[C@H](NC(=O)NCC2([NH+]3CCCC3)CCOCC2)CCN1C	ZINC000329748588	444700324	/nfs/dbraw/zinc/70/03/24/444700324.db2.gz	FMZCVSMFIZHUII-HZPDHXFCSA-N	1	3	338.496	1.618	20	30		EDEDHO
C=CCN1CC[C@@H](N2CCC[N@@H+](C3CCN(CC)CC3)CC2)C1=O	ZINC000420982095	446956323	/nfs/dbraw/zinc/95/63/23/446956323.db2.gz	OPXQMEVAJUXSPS-GOSISDBHSA-N	1	3	334.508	1.265	20	30		EDEDHO
C=CCN1CC[C@@H](N2CCC[N@H+](C3CCN(CC)CC3)CC2)C1=O	ZINC000420982095	446956331	/nfs/dbraw/zinc/95/63/31/446956331.db2.gz	OPXQMEVAJUXSPS-GOSISDBHSA-N	1	3	334.508	1.265	20	30		EDEDHO
CC(C)N1CCN([C@H]2CCN(C(=O)[C@H]([NH3+])CCCCC#N)C2)CC1	ZINC000594439933	449518433	/nfs/dbraw/zinc/51/84/33/449518433.db2.gz	WNHYJCYTOYFNHW-DLBZAZTESA-N	1	3	335.496	1.025	20	30		EDEDHO
C=C(C)[C@@H](CO)N1CCC(C(=O)NCCC[NH+](CC)CC)CC1	ZINC000649248310	451929507	/nfs/dbraw/zinc/92/95/07/451929507.db2.gz	GHEGGJGGTABWNY-QGZVFWFLSA-N	1	3	325.497	1.484	20	30		EDEDHO
CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CCN(c2ccccc2)C1	ZINC000264064820	535548952	/nfs/dbraw/zinc/54/89/52/535548952.db2.gz	ASFYJCOSOWCAMC-SJLPKXTDSA-N	1	3	329.492	1.902	20	30		EDEDHO
C=C(CC[NH+](C)C)C(=O)N(CCN(C)C)Cc1cccc(C#N)c1	ZINC000900416405	592013381	/nfs/dbraw/zinc/01/33/81/592013381.db2.gz	DLUQNYJVIMGBRH-UHFFFAOYSA-N	1	3	328.460	1.956	20	30		EDEDHO
CN(C)C(NCc1ccccc1)=[NH+]CCN1CCN(C)C(C)(C)C1	ZINC000849108137	595482976	/nfs/dbraw/zinc/48/29/76/595482976.db2.gz	DWCXNUCAYZEYDB-UHFFFAOYSA-N	1	3	331.508	1.720	20	30		EDEDHO
Cc1ccc(NC(=O)C#CC2CC[NH2+]CC2)c(OCCN(C)C)c1	ZINC000852871594	595590555	/nfs/dbraw/zinc/59/05/55/595590555.db2.gz	UDXWYIVQCHXUED-UHFFFAOYSA-N	1	3	329.444	1.877	20	30		EDEDHO
C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Nc1cc(CC#N)ccn1	ZINC000871735982	596681544	/nfs/dbraw/zinc/68/15/44/596681544.db2.gz	XALVOJFUNFEBIB-AWEZNQCLSA-N	1	3	332.452	1.541	20	30		EDEDHO
C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Nc1cc(CC#N)ccn1	ZINC000871735982	596681545	/nfs/dbraw/zinc/68/15/45/596681545.db2.gz	XALVOJFUNFEBIB-AWEZNQCLSA-N	1	3	332.452	1.541	20	30		EDEDHO
C=C(Cl)C[C@H](N)C(=O)NCC1([NH+]2CCC(OC)CC2)CCCC1	ZINC000876759781	597325725	/nfs/dbraw/zinc/32/57/25/597325725.db2.gz	QLXOWCSFBNIWIQ-HNNXBMFYSA-N	1	3	343.899	1.996	20	30		EDEDHO
N#C[C@@H]1CNCC12CC(C(=O)N1CC[C@H](C[NH+]3CCCCC3)C1)C2	ZINC000884227640	598036576	/nfs/dbraw/zinc/03/65/76/598036576.db2.gz	UXHDZUQRALPBPX-FXQQTDPRSA-N	1	3	330.476	1.460	20	30		EDEDHO
C=C(C)CCN1CC(N2CCN(C(=O)CC[NH+]3CCCCC3)CC2)C1	ZINC000941677669	701616173	/nfs/dbraw/zinc/61/61/73/701616173.db2.gz	SPXYWOITICRDRW-UHFFFAOYSA-N	1	3	348.535	1.657	20	30		EDEDHO
C#CCN(C(=O)NC1CCC(C[NH+](C)C)CC1)C1CCN(C)CC1	ZINC000921588978	703630106	/nfs/dbraw/zinc/63/01/06/703630106.db2.gz	WOEYKAGPNSWQPM-UHFFFAOYSA-N	1	3	334.508	1.846	20	30		EDEDHO
C=CCN[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)CC[C@H]1C(F)(F)F	ZINC000998305745	705709690	/nfs/dbraw/zinc/70/96/90/705709690.db2.gz	SHNVGDHDOYEOEW-CHWSQXEVSA-N	1	3	331.382	1.637	20	30		EDEDHO
C[C@@H]1CCN(CC(=O)N(C)C2CC([NH2+]Cc3cccc(C#N)c3)C2)C1	ZINC000999401943	706910373	/nfs/dbraw/zinc/91/03/73/706910373.db2.gz	BSGROZFZZUXUAH-VNCLNFNDSA-N	1	3	340.471	1.979	20	30		EDEDHO
C#CCN1CCC(C(=O)N(C)[C@@H]2CC[N@H+](CCOC3CCC3)C2)CC1	ZINC001033684037	708495995	/nfs/dbraw/zinc/49/59/95/708495995.db2.gz	CFODDAWIMPGFBP-GOSISDBHSA-N	1	3	347.503	1.433	20	30		EDEDHO
C#CCN1CCC(C(=O)N(C)[C@@H]2CC[N@@H+](CCOC3CCC3)C2)CC1	ZINC001033684037	708495998	/nfs/dbraw/zinc/49/59/98/708495998.db2.gz	CFODDAWIMPGFBP-GOSISDBHSA-N	1	3	347.503	1.433	20	30		EDEDHO
C=C(C)CC[NH+]1CCC(N(C)C(=O)[C@@H]2CN3CCC[C@H]3CO2)CC1	ZINC001005427681	708982847	/nfs/dbraw/zinc/98/28/47/708982847.db2.gz	YIBHBCDQFQCKEH-ROUUACIJSA-N	1	3	335.492	1.739	20	30		EDEDHO
C=CCC[N@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1	ZINC001033905909	709033941	/nfs/dbraw/zinc/03/39/41/709033941.db2.gz	MTYKWCGZGURTCF-VIHIWDAPSA-N	1	3	333.476	1.349	20	30		EDEDHO
C=CCC[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1	ZINC001033905909	709033945	/nfs/dbraw/zinc/03/39/45/709033945.db2.gz	MTYKWCGZGURTCF-VIHIWDAPSA-N	1	3	333.476	1.349	20	30		EDEDHO
C=CCN1CCC(N(C)C(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)CC1	ZINC001005497617	709245200	/nfs/dbraw/zinc/24/52/00/709245200.db2.gz	OEDHYIPIRDDFQA-GOSISDBHSA-N	1	3	335.492	1.739	20	30		EDEDHO
C=CCN1CCC(N(C)C(=O)[C@H]2CCC[N@H+]2C2CCOCC2)CC1	ZINC001005497617	709245203	/nfs/dbraw/zinc/24/52/03/709245203.db2.gz	OEDHYIPIRDDFQA-GOSISDBHSA-N	1	3	335.492	1.739	20	30		EDEDHO
C#CCCN1CCCC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)C1	ZINC001034241242	709626875	/nfs/dbraw/zinc/62/68/75/709626875.db2.gz	PPQYWWRERCOQAK-HKUYNNGSSA-N	1	3	347.503	1.624	20	30		EDEDHO
C#CCCN1CCCC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C1	ZINC001034241242	709626876	/nfs/dbraw/zinc/62/68/76/709626876.db2.gz	PPQYWWRERCOQAK-HKUYNNGSSA-N	1	3	347.503	1.624	20	30		EDEDHO
C#CCC[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CCCN2C2CCOCC2)C1	ZINC001034241242	709626877	/nfs/dbraw/zinc/62/68/77/709626877.db2.gz	PPQYWWRERCOQAK-HKUYNNGSSA-N	1	3	347.503	1.624	20	30		EDEDHO
C#CCC[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CCCN2C2CCOCC2)C1	ZINC001034241242	709626879	/nfs/dbraw/zinc/62/68/79/709626879.db2.gz	PPQYWWRERCOQAK-HKUYNNGSSA-N	1	3	347.503	1.624	20	30		EDEDHO
C=C(C)CC[NH+]1CCC(N(C)C(=O)[C@@H]2CN3CC4CC3(C4)CO2)CC1	ZINC001005741513	711315797	/nfs/dbraw/zinc/31/57/97/711315797.db2.gz	MAUYDBNXGCLEHU-IPCDKGFNSA-N	1	3	347.503	1.739	20	30		EDEDHO
CCN(C[C@H](C)C#N)C(=O)CN(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1	ZINC000378295393	447415956	/nfs/dbraw/zinc/41/59/56/447415956.db2.gz	PTSYQINAQBUJAK-AEFFLSMTSA-N	1	3	349.523	1.095	20	30		EDEDHO
C#CCN1CCC(C(=O)NCc2ccccc2OCC[NH+](C)C)CC1	ZINC000122968911	441870629	/nfs/dbraw/zinc/87/06/29/441870629.db2.gz	XQOULARVVVYPRA-UHFFFAOYSA-N	1	3	343.471	1.588	20	30		EDEDHO
C=CCc1cc(CN2CC[C@@H](N3CC[NH2+]CC3)C2)cc(OC)c1O	ZINC000262126393	443184059	/nfs/dbraw/zinc/18/40/59/443184059.db2.gz	NBRNQZIUPHWJKP-QGZVFWFLSA-N	1	3	331.460	1.609	20	30		EDEDHO
COC[C@H](C)NC(=[NH2+])NCCCN1CCN(C)C[C@H]1c1ccccc1	ZINC000264091701	443248440	/nfs/dbraw/zinc/24/84/40/443248440.db2.gz	LDCUJPMGVWMSPT-WMZOPIPTSA-N	1	3	347.507	1.304	20	30		EDEDHO
CCN1CCC(C[NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)CC1	ZINC000322031103	444338515	/nfs/dbraw/zinc/33/85/15/444338515.db2.gz	HOSOFNBNRHPLQQ-UHFFFAOYSA-N	1	3	335.473	1.653	20	30		EDEDHO
Cc1nn(C)c(C)c1NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1	ZINC000329537120	444620101	/nfs/dbraw/zinc/62/01/01/444620101.db2.gz	MDAPSUPWNPVKNJ-UHFFFAOYSA-N	1	3	348.495	1.921	20	30		EDEDHO
C#CCN(C)CCCNC(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1	ZINC000491376388	448008279	/nfs/dbraw/zinc/00/82/79/448008279.db2.gz	ZWIRTIRPBMKKON-HDICACEKSA-N	1	3	336.524	1.999	20	30		EDEDHO
C#CCN(C)CCCNC(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1	ZINC000491376388	448008281	/nfs/dbraw/zinc/00/82/81/448008281.db2.gz	ZWIRTIRPBMKKON-HDICACEKSA-N	1	3	336.524	1.999	20	30		EDEDHO
C=CCN1CCC(NC(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)CC1	ZINC000566437115	448470841	/nfs/dbraw/zinc/47/08/41/448470841.db2.gz	WYEFIUOLWZFUFW-QGZVFWFLSA-N	1	3	337.533	1.971	20	30		EDEDHO
COCCC[NH+]1CCC(NC[C@H](O)COc2ccccc2C#N)CC1	ZINC000530231617	449089178	/nfs/dbraw/zinc/08/91/78/449089178.db2.gz	ROXFQMPPJBWYHR-SFHVURJKSA-N	1	3	347.459	1.388	20	30		EDEDHO
C[C@@H]([NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)C1CCN(C)CC1	ZINC000617098393	449459270	/nfs/dbraw/zinc/45/92/70/449459270.db2.gz	KFHUXPXKZFZWPU-DNVCBOLYSA-N	1	3	340.471	1.979	20	30		EDEDHO
CC[NH+]1CCC(n2nccc2NC(=O)[C@H](N)CCCCC#N)CC1	ZINC000594441909	449520901	/nfs/dbraw/zinc/52/09/01/449520901.db2.gz	YFKMNVAZEDNVIM-OAHLLOKOSA-N	1	3	332.452	1.890	20	30		EDEDHO
C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1Cc2cccc(C#N)c2C1	ZINC000596689281	449607526	/nfs/dbraw/zinc/60/75/26/449607526.db2.gz	IVFYXHJCUSEGEY-HNNXBMFYSA-N	1	3	343.475	1.855	20	30		EDEDHO
C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1Cc2cccc(C#N)c2C1	ZINC000596689281	449607527	/nfs/dbraw/zinc/60/75/27/449607527.db2.gz	IVFYXHJCUSEGEY-HNNXBMFYSA-N	1	3	343.475	1.855	20	30		EDEDHO
C=C(C)[C@H](CO)N1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1	ZINC000649318641	451997638	/nfs/dbraw/zinc/99/76/38/451997638.db2.gz	HLOHIHHXEPOXRI-INIZCTEOSA-N	1	3	325.497	1.339	20	30		EDEDHO
C#CCNC(=O)[C@@H](C)N(C)CCC1CCN(c2cc[nH+]cc2)CC1	ZINC000092821103	527016363	/nfs/dbraw/zinc/01/63/63/527016363.db2.gz	UVVBDXPKSPPRCJ-MRXNPFEDSA-N	1	3	328.460	1.758	20	30		EDEDHO
CCN1CCC[C@@H]1CNC(=[NH2+])NCC[C@H]1c2ccccc2NC1=O	ZINC000245900900	535548545	/nfs/dbraw/zinc/54/85/45/535548545.db2.gz	KRWNALLYQCDZOK-HIFRSBDPSA-N	1	3	329.448	1.501	20	30		EDEDHO
C=C(CC[NH+](C)C)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C	ZINC000891245973	591015812	/nfs/dbraw/zinc/01/58/12/591015812.db2.gz	LBEQBCDUGZKEBO-GOSISDBHSA-N	1	3	332.492	1.979	20	30		EDEDHO
C[C@@H]1[C@H](Nc2ccc(C#N)c(N[C@H]3CCN(C)[C@@H]3C)n2)CC[N@@H+]1C	ZINC000895737757	591265110	/nfs/dbraw/zinc/26/51/10/591265110.db2.gz	YBJLIXBPUVOUBQ-XOUADPBQSA-N	1	3	328.464	1.962	20	30		EDEDHO
C[C@@H]1[C@H](Nc2ccc(C#N)c(N[C@H]3CCN(C)[C@@H]3C)n2)CC[N@H+]1C	ZINC000895737757	591265112	/nfs/dbraw/zinc/26/51/12/591265112.db2.gz	YBJLIXBPUVOUBQ-XOUADPBQSA-N	1	3	328.464	1.962	20	30		EDEDHO
C[C@@H](NCC1(N2CCOCC2)CC[NH+](C)CC1)c1cc(C#N)ccn1	ZINC000903018144	592097257	/nfs/dbraw/zinc/09/72/57/592097257.db2.gz	XZXUAQTVGSOPNX-MRXNPFEDSA-N	1	3	343.475	1.400	20	30		EDEDHO
C=C(CC[NH+](C)C)C(=O)NC[C@@H](O)CN1CCc2ccccc2C1	ZINC000901067707	592211704	/nfs/dbraw/zinc/21/17/04/592211704.db2.gz	NKZOXZUVVRREAU-GOSISDBHSA-N	1	3	331.460	1.030	20	30		EDEDHO
CCN1C[C@]2(C[C@@H](O)[C@H]([NH2+]C[C@@H](O)CC3(C#N)CC3)C2)[C@@H]1C(C)C	ZINC000905501895	592546078	/nfs/dbraw/zinc/54/60/78/592546078.db2.gz	IENXDIIFJUSBRY-ATIFRJIPSA-N	1	3	335.492	1.501	20	30		EDEDHO
N#CCCC[C@H](N)C(=O)Nc1ccccc1C(=O)OC1CC[NH2+]CC1	ZINC000818539174	593703947	/nfs/dbraw/zinc/70/39/47/593703947.db2.gz	TVMGOMHMDMOAKM-HNNXBMFYSA-N	1	3	344.415	1.555	20	30		EDEDHO
C=C(C[NH+](C)C)C(=O)N1CCO[C@@H]2CCN(Cc3ccccc3)C[C@H]21	ZINC000846444746	595234447	/nfs/dbraw/zinc/23/44/47/595234447.db2.gz	WLSGQSUNJHMTQH-RTBURBONSA-N	1	3	343.471	1.606	20	30		EDEDHO
CN1CCN(c2ccc(C=[NH+]NCCCn3ccnc3)cc2)CC1	ZINC000848419015	595376122	/nfs/dbraw/zinc/37/61/22/595376122.db2.gz	UIAOSAUQFAJNJQ-UHFFFAOYSA-N	1	3	326.448	1.649	20	30		EDEDHO
C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)C#CC1CC[NH2+]CC1	ZINC000852884203	595597466	/nfs/dbraw/zinc/59/74/66/595597466.db2.gz	GSSVUPYAKXYBFK-LPHOPBHVSA-N	1	3	325.456	1.626	20	30		EDEDHO
C#CC[C@@H](COC)NC(=O)N(CCN(C)C)C[C@H]1CCC[N@H+]1CC	ZINC000875922038	597036071	/nfs/dbraw/zinc/03/60/71/597036071.db2.gz	AJJRNSAOFDPZIE-DLBZAZTESA-N	1	3	338.496	1.082	20	30		EDEDHO
C#CC[C@@H](COC)NC(=O)N(CCN(C)C)C[C@H]1CCC[N@@H+]1CC	ZINC000875922038	597036075	/nfs/dbraw/zinc/03/60/75/597036075.db2.gz	AJJRNSAOFDPZIE-DLBZAZTESA-N	1	3	338.496	1.082	20	30		EDEDHO
C=C(Cl)C[C@@H]([NH3+])C(=O)NCC1(N2CCSCC2)CCCC1	ZINC000876728926	597310204	/nfs/dbraw/zinc/31/02/04/597310204.db2.gz	ZKMGFMSFSISCPF-CYBMUJFWSA-N	1	3	331.913	1.934	20	30		EDEDHO
C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)C2CC3(C2)CNC[C@@H]3C#N)C1	ZINC000884190010	598020705	/nfs/dbraw/zinc/02/07/05/598020705.db2.gz	SFYKZWLMNXXLAY-UIEBLEIFSA-N	1	3	332.492	1.610	20	30		EDEDHO
C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)C2CC3(C2)CNC[C@@H]3C#N)C1	ZINC000884190010	598020709	/nfs/dbraw/zinc/02/07/09/598020709.db2.gz	SFYKZWLMNXXLAY-UIEBLEIFSA-N	1	3	332.492	1.610	20	30		EDEDHO
N#C[C@@H]1CNCC12CC(C(=O)N1CCC[C@H]([C@H]3CCC[NH2+]C3)C1)C2	ZINC000884294487	598057944	/nfs/dbraw/zinc/05/79/44/598057944.db2.gz	CFGIXZRVQGBUJE-KJQIQPIZSA-N	1	3	330.476	1.364	20	30		EDEDHO
C=C(C)CCN1CC(N2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)C1	ZINC000941639129	701602945	/nfs/dbraw/zinc/60/29/45/701602945.db2.gz	NAEJMHMBRXPSEP-KRWDZBQOSA-N	1	3	334.508	1.123	20	30		EDEDHO
C=C(C)CCN1CC(N2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)CC2)C1	ZINC000941639129	701602946	/nfs/dbraw/zinc/60/29/46/701602946.db2.gz	NAEJMHMBRXPSEP-KRWDZBQOSA-N	1	3	334.508	1.123	20	30		EDEDHO
C=C(C)CCN1CC(N2CCN(C(=O)C[N@H+]3[C@H](C)CC[C@@H]3C)CC2)C1	ZINC000941677673	701616163	/nfs/dbraw/zinc/61/61/63/701616163.db2.gz	SVRNOJRBOBFNEB-HDICACEKSA-N	1	3	348.535	1.654	20	30		EDEDHO
C=C(C)CCN1CC(N2CCN(C(=O)C[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)C1	ZINC000941677673	701616164	/nfs/dbraw/zinc/61/61/64/701616164.db2.gz	SVRNOJRBOBFNEB-HDICACEKSA-N	1	3	348.535	1.654	20	30		EDEDHO
C#CCN1CCC(C(=O)NCC2C[NH+](C[C@@H](OC)C3CCC3)C2)CC1	ZINC001032207143	702175928	/nfs/dbraw/zinc/17/59/28/702175928.db2.gz	FQHQNPIMPFKYFZ-LJQANCHMSA-N	1	3	347.503	1.195	20	30		EDEDHO
C=C(Br)C[NH2+]C1CCN(C(=O)[C@@H](CC)N(C)C)CC1	ZINC000996721288	703016259	/nfs/dbraw/zinc/01/62/59/703016259.db2.gz	YEPLWLDFCNQPDB-CYBMUJFWSA-N	1	3	332.286	1.816	20	30		EDEDHO
N#Cc1ccc(C[NH2+]C2CCN(C(=O)CN3CCCC3)CC2)s1	ZINC000997306709	703565212	/nfs/dbraw/zinc/56/52/12/703565212.db2.gz	IVNGGHANSFJFPA-UHFFFAOYSA-N	1	3	332.473	1.796	20	30		EDEDHO
C#CCN1CCC(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CC[C@@H]2CCOC2)CC1	ZINC001032800534	708081010	/nfs/dbraw/zinc/08/10/10/708081010.db2.gz	MEKYAWHUPUBMSX-NEWSRXKRSA-N	1	3	345.487	1.043	20	30		EDEDHO
C#CCN1CCC(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CC[C@@H]2CCOC2)CC1	ZINC001032800534	708081011	/nfs/dbraw/zinc/08/10/11/708081011.db2.gz	MEKYAWHUPUBMSX-NEWSRXKRSA-N	1	3	345.487	1.043	20	30		EDEDHO
C=C(C)CC[N@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1	ZINC001033907167	709038649	/nfs/dbraw/zinc/03/86/49/709038649.db2.gz	QSYUMQWBFUXFJL-NRGCRIOASA-N	1	3	347.503	1.739	20	30		EDEDHO
C=C(C)CC[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1	ZINC001033907167	709038650	/nfs/dbraw/zinc/03/86/50/709038650.db2.gz	QSYUMQWBFUXFJL-NRGCRIOASA-N	1	3	347.503	1.739	20	30		EDEDHO
C=CCC[NH+]1CCC(N(C)C(=O)[C@H]2CN3CC4CC3(C4)CO2)CC1	ZINC001005743247	711368333	/nfs/dbraw/zinc/36/83/33/711368333.db2.gz	XZTSGCNKCBIVQP-URSIVYNOSA-N	1	3	333.476	1.349	20	30		EDEDHO
C#CCN1CCC(C(=O)N2CC[N@H+](C3CCOCC3)C[C@@H]2C)CC1	ZINC000376044027	250283836	/nfs/dbraw/zinc/28/38/36/250283836.db2.gz	APPXYTIXGROPDK-INIZCTEOSA-N	1	3	333.476	1.043	20	30		EDEDHO
C#CCN1CCC(C(=O)N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)CC1	ZINC000376044027	250283840	/nfs/dbraw/zinc/28/38/40/250283840.db2.gz	APPXYTIXGROPDK-INIZCTEOSA-N	1	3	333.476	1.043	20	30		EDEDHO
C=CCNC(=O)NC(=O)[C@H](C)N1CCC2(C[C@H]2C[N@H+](C)C2CC2)CC1	ZINC000374318884	250258930	/nfs/dbraw/zinc/25/89/30/250258930.db2.gz	SXWIMLRQVLFMAK-GJZGRUSLSA-N	1	3	348.491	1.583	20	30		EDEDHO
C=CCNC(=O)NC(=O)[C@H](C)N1CCC2(C[C@H]2C[N@@H+](C)C2CC2)CC1	ZINC000374318884	250258933	/nfs/dbraw/zinc/25/89/33/250258933.db2.gz	SXWIMLRQVLFMAK-GJZGRUSLSA-N	1	3	348.491	1.583	20	30		EDEDHO
C=CCN(CC=C)[C@H](CNC(=O)[C@@]1(CCOC)CC[NH2+]C1)C(C)C	ZINC000378200956	250298121	/nfs/dbraw/zinc/29/81/21/250298121.db2.gz	CYLOPJPOKIOLDP-IEBWSBKVSA-N	1	3	337.508	1.817	20	30		EDEDHO
C[C@H]1C[NH+]=C(NCCCOC2CCN(Cc3ccccc3)CC2)N1	ZINC000285028404	443828266	/nfs/dbraw/zinc/82/82/66/443828266.db2.gz	JTCTUAOTDOETMW-INIZCTEOSA-N	1	3	330.476	1.995	20	30		EDEDHO
Cc1nccc(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)n1	ZINC000330285100	444922818	/nfs/dbraw/zinc/92/28/18/444922818.db2.gz	YJFJRKWMTBTSTF-UHFFFAOYSA-N	1	3	332.452	1.670	20	30		EDEDHO
COC[C@@]1(C[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)CCCN1	ZINC000423419836	446526333	/nfs/dbraw/zinc/52/63/33/446526333.db2.gz	WKQCCCMGSNJPLR-IBGZPJMESA-N	1	3	328.460	1.885	20	30		EDEDHO
COC[C@@]1(CNC2CCN(Cc3ccc(C#N)cc3)CC2)CCC[NH2+]1	ZINC000423421222	446528059	/nfs/dbraw/zinc/52/80/59/446528059.db2.gz	XTXNEVRJWJGODE-FQEVSTJZSA-N	1	3	342.487	1.881	20	30		EDEDHO
CC[NH2+][C@H](C)CNC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1	ZINC000418591089	446605257	/nfs/dbraw/zinc/60/52/57/446605257.db2.gz	MNMNWKSGRYSWNP-OAHLLOKOSA-N	1	3	331.464	1.629	20	30		EDEDHO
CN(C)CCN(CC[NH+](C)C)C(=O)NCCOc1ccc(C#N)cc1	ZINC000525306942	447994339	/nfs/dbraw/zinc/99/43/39/447994339.db2.gz	BNTFIORUMATRNC-UHFFFAOYSA-N	1	3	347.463	1.072	20	30		EDEDHO
C[C@H](CC1(C#N)CCOCC1)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1	ZINC000602543920	449663723	/nfs/dbraw/zinc/66/37/23/449663723.db2.gz	MTWXONSZYVEYNL-CVEARBPZSA-N	1	3	336.480	1.262	20	30		EDEDHO
C[C@H](CC1(C#N)CCOCC1)NCCC[N@H+]1CCC[C@H](C(N)=O)C1	ZINC000602543920	449663728	/nfs/dbraw/zinc/66/37/28/449663728.db2.gz	MTWXONSZYVEYNL-CVEARBPZSA-N	1	3	336.480	1.262	20	30		EDEDHO
N#CCCCC[C@@H](N)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1	ZINC000595256341	449979741	/nfs/dbraw/zinc/97/97/41/449979741.db2.gz	NFGBYNVBMBWSHZ-BRWVUGGUSA-N	1	3	332.423	1.799	20	30		EDEDHO
C#CCNC(=O)[C@H](C)N(C)CCC1CCN(c2cc[nH+]cc2)CC1	ZINC000092821102	527024343	/nfs/dbraw/zinc/02/43/43/527024343.db2.gz	UVVBDXPKSPPRCJ-INIZCTEOSA-N	1	3	328.460	1.758	20	30		EDEDHO
CCN1CCC[C@H]1CNC(=[NH2+])NC[C@H]1CCN(C)c2ccccc21	ZINC000245899403	535596976	/nfs/dbraw/zinc/59/69/76/535596976.db2.gz	JUFQIVAHQZYKAM-CVEARBPZSA-N	1	3	329.492	1.999	20	30		EDEDHO
C=C(CC[NH+](C)C)C(=O)N1CC[C@@H](CN(C)Cc2cccnc2)C1	ZINC000907570646	592715418	/nfs/dbraw/zinc/71/54/18/592715418.db2.gz	LAZHLKJLSMXDIZ-SFHVURJKSA-N	1	3	330.476	1.870	20	30		EDEDHO
C=C(C[NH+](C)C)C(=O)NC1CCN(Cc2cccc(OC)c2)CC1	ZINC000912346144	593087772	/nfs/dbraw/zinc/08/77/72/593087772.db2.gz	COGYLJWMVGZAQJ-UHFFFAOYSA-N	1	3	331.460	1.894	20	30		EDEDHO
N#CCCC[C@H](N)C(=O)Nc1cccc(C(=O)OC2CC[NH2+]CC2)c1	ZINC000818537496	593703900	/nfs/dbraw/zinc/70/39/00/593703900.db2.gz	OFNZDKOXCPETNC-INIZCTEOSA-N	1	3	344.415	1.555	20	30		EDEDHO
CN(C)CCN(CC[NH+](C)C)C(=O)c1ccc2c(C#N)c[nH]c2c1	ZINC000865177866	596501969	/nfs/dbraw/zinc/50/19/69/596501969.db2.gz	NMBULHXEKDAYCG-UHFFFAOYSA-N	1	3	327.432	1.605	20	30		EDEDHO
C#CCN1CCC(C(=O)N[C@H]2CC[N@@H+]([C@H](C)COC)CC2(C)C)CC1	ZINC000941236847	701427587	/nfs/dbraw/zinc/42/75/87/701427587.db2.gz	BOHMDDJJEBCQIA-AEFFLSMTSA-N	1	3	349.519	1.583	20	30		EDEDHO
C#CCN1CCC(C(=O)N[C@H]2CC[N@H+]([C@H](C)COC)CC2(C)C)CC1	ZINC000941236847	701427588	/nfs/dbraw/zinc/42/75/88/701427588.db2.gz	BOHMDDJJEBCQIA-AEFFLSMTSA-N	1	3	349.519	1.583	20	30		EDEDHO
C=CCC[NH+]1CCC([C@H](C)NC(=O)[C@H]2CN3CC4CC3(C4)CO2)CC1	ZINC000997691981	704564893	/nfs/dbraw/zinc/56/48/93/704564893.db2.gz	PJIDYXIAQIYBAI-GBJJWRMUSA-N	1	3	347.503	1.642	20	30		EDEDHO
C=C(C)C[N@@H+]1CCCC[C@H](NC(=O)[C@H]2CN3CC4CC3(C4)CO2)C1	ZINC001034319528	709769039	/nfs/dbraw/zinc/76/90/39/709769039.db2.gz	IKHLOMXNQIQJAQ-DHADLLTHSA-N	1	3	333.476	1.396	20	30		EDEDHO
C=C(C)C[N@H+]1CCCC[C@H](NC(=O)[C@H]2CN3CC4CC3(C4)CO2)C1	ZINC001034319528	709769043	/nfs/dbraw/zinc/76/90/43/709769043.db2.gz	IKHLOMXNQIQJAQ-DHADLLTHSA-N	1	3	333.476	1.396	20	30		EDEDHO
C#CCN1CCC(C(=O)N[C@H]2CCCC[N@@H+](C[C@@H](C)OC)C2)CC1	ZINC001034538357	710211228	/nfs/dbraw/zinc/21/12/28/710211228.db2.gz	MTOAJIDLHGGYCU-AEFFLSMTSA-N	1	3	335.492	1.337	20	30		EDEDHO
C#CCN1CCC(C(=O)N[C@H]2CCCC[N@H+](C[C@@H](C)OC)C2)CC1	ZINC001034538357	710211230	/nfs/dbraw/zinc/21/12/30/710211230.db2.gz	MTOAJIDLHGGYCU-AEFFLSMTSA-N	1	3	335.492	1.337	20	30		EDEDHO
C[NH+]1CCC(N2CCC(NC(=O)N[C@H]3CCC[C@H]3C#N)CC2)CC1	ZINC000332875907	539610523	/nfs/dbraw/zinc/61/05/23/539610523.db2.gz	ACYCIIDSCGKTMU-YOEHRIQHSA-N	1	3	333.480	1.536	20	30		EDEDHO
CC[C@@H]([NH2+]CCCCN1CCN(CCO)CC1)c1ccc(C#N)cc1	ZINC000447525769	267194894	/nfs/dbraw/zinc/19/48/94/267194894.db2.gz	BNPSCAUTZLBOAN-HXUWFJFHSA-N	1	3	344.503	1.989	20	30		EDEDHO
CCN1CCC[C@H]1CNC(=[NH2+])NC[C@H](O)c1cc(F)cc(Cl)c1	ZINC000278637607	443385625	/nfs/dbraw/zinc/38/56/25/443385625.db2.gz	YWBSWHYOPWNXBH-GJZGRUSLSA-N	1	3	342.846	1.901	20	30		EDEDHO
CC[NH2+]CCCNC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1	ZINC000579453393	321936326	/nfs/dbraw/zinc/93/63/26/321936326.db2.gz	JENHJQQDSUVUDY-UHFFFAOYSA-N	1	3	331.464	1.631	20	30		EDEDHO
CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NC[C@@H]1CCC[NH2+]1	ZINC000418353818	446512386	/nfs/dbraw/zinc/51/23/86/446512386.db2.gz	AVFHBDVKNWBTKP-KRWDZBQOSA-N	1	3	329.448	1.383	20	30		EDEDHO
CN(CCC#N)C[C@@H](O)CNC[C@@H]1CCC[N@H+](Cc2ccccc2)C1	ZINC000591729031	448475532	/nfs/dbraw/zinc/47/55/32/448475532.db2.gz	UNANOIWYZOFAAW-PMACEKPBSA-N	1	3	344.503	1.695	20	30		EDEDHO
CN(CCC#N)C[C@@H](O)CNC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1	ZINC000591729031	448475534	/nfs/dbraw/zinc/47/55/34/448475534.db2.gz	UNANOIWYZOFAAW-PMACEKPBSA-N	1	3	344.503	1.695	20	30		EDEDHO
CN1CC[C@@]2(CC[N@H+](C[C@H](O)COc3ccc(CC#N)cc3)C2)C1	ZINC000590022909	449098603	/nfs/dbraw/zinc/09/86/03/449098603.db2.gz	CIVHWUBFASVOHX-PKOBYXMFSA-N	1	3	329.444	1.520	20	30		EDEDHO
CN1CC[C@@]2(CC[N@@H+](C[C@H](O)COc3ccc(CC#N)cc3)C2)C1	ZINC000590022909	449098607	/nfs/dbraw/zinc/09/86/07/449098607.db2.gz	CIVHWUBFASVOHX-PKOBYXMFSA-N	1	3	329.444	1.520	20	30		EDEDHO
CN1CC[C@]2(CC[N@H+](C[C@@H](O)COc3ccc(CC#N)cc3)C2)C1	ZINC000590022907	449098668	/nfs/dbraw/zinc/09/86/68/449098668.db2.gz	CIVHWUBFASVOHX-MJGOQNOKSA-N	1	3	329.444	1.520	20	30		EDEDHO
CN1CC[C@]2(CC[N@@H+](C[C@@H](O)COc3ccc(CC#N)cc3)C2)C1	ZINC000590022907	449098670	/nfs/dbraw/zinc/09/86/70/449098670.db2.gz	CIVHWUBFASVOHX-MJGOQNOKSA-N	1	3	329.444	1.520	20	30		EDEDHO
C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCC#Cc1ccccc1	ZINC000663548357	452254340	/nfs/dbraw/zinc/25/43/40/452254340.db2.gz	PBDYJYZNNJLXOX-KRWDZBQOSA-N	1	3	330.476	1.609	20	30		EDEDHO
C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCC#Cc1ccccc1	ZINC000663548357	452254347	/nfs/dbraw/zinc/25/43/47/452254347.db2.gz	PBDYJYZNNJLXOX-KRWDZBQOSA-N	1	3	330.476	1.609	20	30		EDEDHO
CCN1CCC[C@@H]1CNC(=[NH2+])NCCCc1nc2ccccc2[nH]1	ZINC000104171602	529070506	/nfs/dbraw/zinc/07/05/06/529070506.db2.gz	NALFNVKLZVFWAZ-CQSZACIVSA-N	1	3	328.464	1.884	20	30		EDEDHO
CN(C)C1(CNC(=[NH2+])N2CCN(c3ncccn3)CC2)CCCCC1	ZINC000264098830	536111803	/nfs/dbraw/zinc/11/18/03/536111803.db2.gz	MMOLHZGUFCJTAD-UHFFFAOYSA-N	1	3	345.495	1.178	20	30		EDEDHO
C#CCN1CCC(C(=O)N(C)c2ccc(OCC[NH+](C)C)cc2)CC1	ZINC000732003908	578687108	/nfs/dbraw/zinc/68/71/08/578687108.db2.gz	OLHJTDRNBHDNJY-UHFFFAOYSA-N	1	3	343.471	1.935	20	30		EDEDHO
Cc1c(C[C@@H](CN)C[N@H+](C)CCc2cccc(C#N)c2)cnn1C	ZINC000903937069	592387512	/nfs/dbraw/zinc/38/75/12/592387512.db2.gz	AOZIMDGUCWFPIK-SFHVURJKSA-N	1	3	325.460	1.892	20	30		EDEDHO
Cc1c(C[C@@H](CN)C[N@@H+](C)CCc2cccc(C#N)c2)cnn1C	ZINC000903937069	592387518	/nfs/dbraw/zinc/38/75/18/592387518.db2.gz	AOZIMDGUCWFPIK-SFHVURJKSA-N	1	3	325.460	1.892	20	30		EDEDHO
CN(CCC#N)C[C@@H](O)CNC[C@]1(C)CC[N@H+](Cc2ccccc2)C1	ZINC000819282859	593748335	/nfs/dbraw/zinc/74/83/35/593748335.db2.gz	CJJZTFWHXUQICV-PMACEKPBSA-N	1	3	344.503	1.695	20	30		EDEDHO
CN(CCC#N)C[C@@H](O)CNC[C@]1(C)CC[N@@H+](Cc2ccccc2)C1	ZINC000819282859	593748336	/nfs/dbraw/zinc/74/83/36/593748336.db2.gz	CJJZTFWHXUQICV-PMACEKPBSA-N	1	3	344.503	1.695	20	30		EDEDHO
N#CCCC[C@H](N)C(=O)Nc1ccccc1C(=O)OC[C@@H]1CCC[NH2+]1	ZINC000843334055	595078360	/nfs/dbraw/zinc/07/83/60/595078360.db2.gz	DLFHMRGVFYCVHK-ZFWWWQNUSA-N	1	3	344.415	1.555	20	30		EDEDHO
CCC1([NH+]2CCCC2)CCN(C(=O)C2CC3(C2)CNC[C@H]3C#N)CC1	ZINC000884454750	598110232	/nfs/dbraw/zinc/11/02/32/598110232.db2.gz	VNFVUZPXPRPWKW-TVRKMHQQSA-N	1	3	344.503	1.993	20	30		EDEDHO
C=C(C)CN1CCC[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@@H]1C	ZINC000993984788	696482115	/nfs/dbraw/zinc/48/21/15/696482115.db2.gz	IXSCAPAOECEJRA-RDJZCZTQSA-N	1	3	333.480	1.604	20	30		EDEDHO
C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1CCC(NCc2ccccc2C#N)CC1	ZINC000997004189	703261308	/nfs/dbraw/zinc/26/13/08/703261308.db2.gz	BXIFALVDUUPYMP-DNVCBOLYSA-N	1	3	340.471	1.837	20	30		EDEDHO
C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCC(NCc2ccccc2C#N)CC1	ZINC000997004189	703261311	/nfs/dbraw/zinc/26/13/11/703261311.db2.gz	BXIFALVDUUPYMP-DNVCBOLYSA-N	1	3	340.471	1.837	20	30		EDEDHO
N#Cc1ccc(C[NH2+]C2CCN(C(=O)Cc3c[nH]cn3)CC2)s1	ZINC000997043503	703296074	/nfs/dbraw/zinc/29/60/74/703296074.db2.gz	YYQNMQLXHYGGFK-UHFFFAOYSA-N	1	3	329.429	1.666	20	30		EDEDHO
C#CCN1CCC(C(=O)N(C)[C@H]2CC[N@@H+](C[C@H](CC)OC)C2)CC1	ZINC001033686062	708500373	/nfs/dbraw/zinc/50/03/73/708500373.db2.gz	ZGNVQTGMYDFIHT-ROUUACIJSA-N	1	3	335.492	1.289	20	30		EDEDHO
C#CCN1CCC(C(=O)N(C)[C@H]2CC[N@H+](C[C@H](CC)OC)C2)CC1	ZINC001033686062	708500375	/nfs/dbraw/zinc/50/03/75/708500375.db2.gz	ZGNVQTGMYDFIHT-ROUUACIJSA-N	1	3	335.492	1.289	20	30		EDEDHO
C[NH+](C)CCC(=O)Nc1ccc(NC(=O)[C@@H](N)CCCC#N)cc1	ZINC000424152808	252145738	/nfs/dbraw/zinc/14/57/38/252145738.db2.gz	IZWZVKLYXHZXJY-HNNXBMFYSA-N	1	3	331.420	1.536	20	30		EDEDHO
C#CC[NH+]1CCC(C(=O)NCCCCN2C[C@H](C)O[C@@H](C)C2)CC1	ZINC000083025596	441346035	/nfs/dbraw/zinc/34/60/35/441346035.db2.gz	HRKKODRWBBQMJL-IRXDYDNUSA-N	1	3	335.492	1.337	20	30		EDEDHO
C#CCN1CCC(C(=O)NCC2([NH+]3CCCCC3)CCOCC2)CC1	ZINC000109981049	441512137	/nfs/dbraw/zinc/51/21/37/441512137.db2.gz	ROOSEDHBWNWEMK-UHFFFAOYSA-N	1	3	347.503	1.483	20	30		EDEDHO
CCOC(=O)c1ccc(CNC(=[NH2+])NC[C@H]2CCCN2CC)cc1	ZINC000264116371	443249749	/nfs/dbraw/zinc/24/97/49/443249749.db2.gz	SRSBEFKXEPRARL-MRXNPFEDSA-N	1	3	332.448	1.752	20	30		EDEDHO
CCN1CCC[C@@H]1CNC(=[NH2+])NCCOc1ccc2c(c1)OCO2	ZINC000264128433	443250433	/nfs/dbraw/zinc/25/04/33/443250433.db2.gz	XCWYOIAYWVXNAN-CYBMUJFWSA-N	1	3	334.420	1.183	20	30		EDEDHO
Cc1cccc(N2CCN(CCCCNC3=[NH+]C[C@H](C)N3)CC2)c1	ZINC000285110406	443859475	/nfs/dbraw/zinc/85/94/75/443859475.db2.gz	PEQFHOVLOFBUGP-KRWDZBQOSA-N	1	3	329.492	1.835	20	30		EDEDHO
CC(C)C[N@@H+]1CC[C@H](CNC([O-])=[NH+]C[C@@H]2CCc3nccn3C2)C1	ZINC000329901399	444760246	/nfs/dbraw/zinc/76/02/46/444760246.db2.gz	GWSOWYPPVUYFEF-JKSUJKDBSA-N	1	3	333.480	1.927	20	30		EDEDHO
CC(C)C[N@H+]1CC[C@H](CNC([O-])=[NH+]C[C@@H]2CCc3nccn3C2)C1	ZINC000329901399	444760253	/nfs/dbraw/zinc/76/02/53/444760253.db2.gz	GWSOWYPPVUYFEF-JKSUJKDBSA-N	1	3	333.480	1.927	20	30		EDEDHO
C[C@@H]1CN(C[C@H](O)c2ccc(C#N)cc2)CC[N@@H+]1C1CCN(C)CC1	ZINC000373529036	446249434	/nfs/dbraw/zinc/24/94/34/446249434.db2.gz	KRPSMUCVNBKZTQ-UZLBHIALSA-N	1	3	342.487	1.692	20	30		EDEDHO
C[C@@H]1CN(C[C@H](O)c2ccc(C#N)cc2)CC[N@H+]1C1CCN(C)CC1	ZINC000373529036	446249436	/nfs/dbraw/zinc/24/94/36/446249436.db2.gz	KRPSMUCVNBKZTQ-UZLBHIALSA-N	1	3	342.487	1.692	20	30		EDEDHO
CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1C[NH+]2CCC1CC2	ZINC000370612854	446357815	/nfs/dbraw/zinc/35/78/15/446357815.db2.gz	SDIRZMPDVFCXMX-LJQANCHMSA-N	1	3	340.471	1.790	20	30		EDEDHO
C[C@@H](N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)c1cccc(C#N)c1	ZINC000423447351	446540217	/nfs/dbraw/zinc/54/02/17/446540217.db2.gz	DCXKWROKEXPUNI-XVSDVWIESA-N	1	3	326.444	1.856	20	30		EDEDHO
C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)N[C@@H]1CC[C@H](C#N)C1	ZINC000442823491	446980617	/nfs/dbraw/zinc/98/06/17/446980617.db2.gz	DGEYUAXZXZYDFX-KSZLIROESA-N	1	3	328.460	1.557	20	30		EDEDHO
C[N@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)[C@@H](N)CCCC#N)C1	ZINC000595949222	449275455	/nfs/dbraw/zinc/27/54/55/449275455.db2.gz	YMHJDYWVOTWMJH-MSOLQXFVSA-N	1	3	328.460	1.783	20	30		EDEDHO
C[N@@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)[C@@H](N)CCCC#N)C1	ZINC000595949222	449275459	/nfs/dbraw/zinc/27/54/59/449275459.db2.gz	YMHJDYWVOTWMJH-MSOLQXFVSA-N	1	3	328.460	1.783	20	30		EDEDHO
CCN1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(OCC2CC2)nc1	ZINC000264064993	535549047	/nfs/dbraw/zinc/54/90/47/535549047.db2.gz	AVLJWYHIUAYUMN-MRXNPFEDSA-N	1	3	331.464	1.759	20	30		EDEDHO
CCO[C@@H]1CN(Cc2ccccc2)C[C@H]1CNC(NC1CC1)=[NH+]C	ZINC000849109591	595483373	/nfs/dbraw/zinc/48/33/73/595483373.db2.gz	ACAIZMCRYWYDEO-SJLPKXTDSA-N	1	3	330.476	1.851	20	30		EDEDHO
C=C(Cl)C[C@H](N)C(=O)N[C@@H]1CC[N@@H+](CCCOCC)C[C@H]1C	ZINC000876765502	597330166	/nfs/dbraw/zinc/33/01/66/597330166.db2.gz	SGXUMNSGOULAAZ-VHDGCEQUSA-N	1	3	331.888	1.710	20	30		EDEDHO
C=C(Cl)C[C@H](N)C(=O)N[C@@H]1CC[N@H+](CCCOCC)C[C@H]1C	ZINC000876765502	597330169	/nfs/dbraw/zinc/33/01/69/597330169.db2.gz	SGXUMNSGOULAAZ-VHDGCEQUSA-N	1	3	331.888	1.710	20	30		EDEDHO
C#CCN(C(=O)NC[C@H](C)[N@@H+]1CCC[C@H](C)C1)C1CCN(C)CC1	ZINC000914074734	695069542	/nfs/dbraw/zinc/06/95/42/695069542.db2.gz	LJLFODAYDCXOPX-IRXDYDNUSA-N	1	3	334.508	1.846	20	30		EDEDHO
C#CCN(C(=O)NC[C@H](C)[N@H+]1CCC[C@H](C)C1)C1CCN(C)CC1	ZINC000914074734	695069545	/nfs/dbraw/zinc/06/95/45/695069545.db2.gz	LJLFODAYDCXOPX-IRXDYDNUSA-N	1	3	334.508	1.846	20	30		EDEDHO
C#CCCN1CCC[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@H]1C	ZINC000993990094	696484149	/nfs/dbraw/zinc/48/41/49/696484149.db2.gz	QHYPNPFLSWLLGM-NVXWUHKLSA-N	1	3	331.464	1.051	20	30		EDEDHO
C=CCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CN3CC4CC3(C4)CO2)C(C)(C)C1	ZINC000940902163	700976792	/nfs/dbraw/zinc/97/67/92/700976792.db2.gz	YATMUXNUGYISKA-MUZJZNNISA-N	1	3	347.503	1.642	20	30		EDEDHO
C=CCC[N@H+]1CC[C@@H](NC(=O)[C@H]2CN3CC4CC3(C4)CO2)C(C)(C)C1	ZINC000940902163	700976793	/nfs/dbraw/zinc/97/67/93/700976793.db2.gz	YATMUXNUGYISKA-MUZJZNNISA-N	1	3	347.503	1.642	20	30		EDEDHO
C#CCN1CCC(C(=O)NCC2C[NH+](C[C@@H]3CC[C@@H]4C[C@@H]4C3)C2)CC1	ZINC001032207190	702116123	/nfs/dbraw/zinc/11/61/23/702116123.db2.gz	GWFZGAWUBFSANA-AHRSYUTCSA-N	1	3	343.515	1.816	20	30		EDEDHO
C=CCC[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1	ZINC001034318645	709768150	/nfs/dbraw/zinc/76/81/50/709768150.db2.gz	CTMPRNNOIBQWKE-ISXWCOSWSA-N	1	3	333.476	1.396	20	30		EDEDHO
C=CCC[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1	ZINC001034318645	709768154	/nfs/dbraw/zinc/76/81/54/709768154.db2.gz	CTMPRNNOIBQWKE-ISXWCOSWSA-N	1	3	333.476	1.396	20	30		EDEDHO
C=C(C)C[NH+]1CCC(N(C)C(=O)[C@H]2CN3CC4CC3(C4)CO2)CC1	ZINC001005742888	711366220	/nfs/dbraw/zinc/36/62/20/711366220.db2.gz	XBIKRMUYSVELDJ-URSIVYNOSA-N	1	3	333.476	1.349	20	30		EDEDHO
C[C@H]([NH2+]CCCN1CCC[C@H](C(N)=O)C1)c1ccc(C#N)c(F)c1	ZINC000346216388	143179811	/nfs/dbraw/zinc/17/98/11/143179811.db2.gz	SURJWNIUHTYDAT-BBRMVZONSA-N	1	3	332.423	1.935	20	30		EDEDHO
C[C@@H](Cc1ccccc1)[NH+]1CCC(NCCn2cnc(C#N)n2)CC1	ZINC000449322015	447372149	/nfs/dbraw/zinc/37/21/49/447372149.db2.gz	NVPFHALPUXSVNF-INIZCTEOSA-N	1	3	338.459	1.835	20	30		EDEDHO
C[C@@H](CNC(=[NH2+])N[C@H]1CCOc2ccccc21)CN1CCN(C)CC1	ZINC000083032495	441347781	/nfs/dbraw/zinc/34/77/81/441347781.db2.gz	MGQMURQSWQMSEI-RDJZCZTQSA-N	1	3	345.491	1.298	20	30		EDEDHO
C=CCSCCNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1	ZINC000171207553	442328288	/nfs/dbraw/zinc/32/82/88/442328288.db2.gz	FWDFRTPJVJVEGX-UHFFFAOYSA-N	1	3	340.537	1.763	20	30		EDEDHO
C[NH+]=C(NCc1cccc(N(C)C)n1)N1CC[C@H](N2CCCCC2)C1	ZINC000261775078	443169369	/nfs/dbraw/zinc/16/93/69/443169369.db2.gz	PNYOEMMDBKUVAP-KRWDZBQOSA-N	1	3	344.507	1.783	20	30		EDEDHO
C/[NH+]=C(/NCc1cn2ccsc2n1)N[C@@H]1CN(C(C)C)C[C@H]1C	ZINC000262002211	443179044	/nfs/dbraw/zinc/17/90/44/443179044.db2.gz	UTAOQRIVNRHYLJ-TZMCWYRMSA-N	1	3	334.493	1.790	20	30		EDEDHO
C#CCN1CCC(C(=O)NC[C@@H](C)[N@H+](C)Cc2ccccc2)CC1	ZINC000264645862	443359850	/nfs/dbraw/zinc/35/98/50/443359850.db2.gz	HHFLLPANGLRORZ-QGZVFWFLSA-N	1	3	327.472	1.968	20	30		EDEDHO
C#CCN1CCC(C(=O)NC[C@@H](C)[N@@H+](C)Cc2ccccc2)CC1	ZINC000264645862	443359855	/nfs/dbraw/zinc/35/98/55/443359855.db2.gz	HHFLLPANGLRORZ-QGZVFWFLSA-N	1	3	327.472	1.968	20	30		EDEDHO
C[NH+]=C(NCc1cccc(CN2CCC[C@@H](C(N)=O)C2)c1)NC1CC1	ZINC000264798846	443430753	/nfs/dbraw/zinc/43/07/53/443430753.db2.gz	XQHMLWGBGZBLHH-MRXNPFEDSA-N	1	3	343.475	1.211	20	30		EDEDHO
CN(C)CCN(C)c1cc(N(C)CC[NH+](C)C)c(C#N)cc1[N+](=O)[O-]	ZINC000288568962	443920786	/nfs/dbraw/zinc/92/07/86/443920786.db2.gz	WRWZCQCHCISSED-UHFFFAOYSA-N	1	3	348.451	1.462	20	30		EDEDHO
C#Cc1ccccc1CC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1	ZINC000290766850	444320787	/nfs/dbraw/zinc/32/07/87/444320787.db2.gz	ZVANYSVMOWESOW-UHFFFAOYSA-N	1	3	339.483	1.885	20	30		EDEDHO
C[C@H](O)[C@H]1C[C@H](C)CCN1CC#CC[N@@H+]1CC[C@H](C)C[C@@H]1[C@H](C)O	ZINC000342153840	444538349	/nfs/dbraw/zinc/53/83/49/444538349.db2.gz	CJUHZASVLZBAOR-GNVSMLMZSA-N	1	3	336.520	1.952	20	30		EDEDHO
C[C@H](O)[C@H]1C[C@H](C)CCN1CC#CC[N@H+]1CC[C@H](C)C[C@@H]1[C@H](C)O	ZINC000342153840	444538352	/nfs/dbraw/zinc/53/83/52/444538352.db2.gz	CJUHZASVLZBAOR-GNVSMLMZSA-N	1	3	336.520	1.952	20	30		EDEDHO
C[C@H](O)[C@H]1C[C@@H](C)CCN1CC#CC[N@@H+]1CC[C@@H](C)C[C@@H]1[C@H](C)O	ZINC000342153840	444538357	/nfs/dbraw/zinc/53/83/57/444538357.db2.gz	CJUHZASVLZBAOR-GNVSMLMZSA-N	1	3	336.520	1.952	20	30		EDEDHO
C[C@H](O)[C@H]1C[C@@H](C)CCN1CC#CC[N@H+]1CC[C@@H](C)C[C@@H]1[C@H](C)O	ZINC000342153840	444538362	/nfs/dbraw/zinc/53/83/62/444538362.db2.gz	CJUHZASVLZBAOR-GNVSMLMZSA-N	1	3	336.520	1.952	20	30		EDEDHO
CC(C)[NH+]1CCC(O)(CNC(=O)N[C@@H]2C[C@H](C)N(C3CC3)C2)CC1	ZINC000329993310	444802701	/nfs/dbraw/zinc/80/27/01/444802701.db2.gz	YHXQGFZCAYNGOK-LSDHHAIUSA-N	1	3	338.496	1.351	20	30		EDEDHO
C=CCN1CC[C@H](N2CCC(CCC[N@@H+](C)CCOC)CC2)C1=O	ZINC000337183510	444977141	/nfs/dbraw/zinc/97/71/41/444977141.db2.gz	NQSCBYLFMIASCA-SFHVURJKSA-N	1	3	337.508	1.844	20	30		EDEDHO
C=CCN1CC[C@H](N2CCC(CCC[N@H+](C)CCOC)CC2)C1=O	ZINC000337183510	444977142	/nfs/dbraw/zinc/97/71/42/444977142.db2.gz	NQSCBYLFMIASCA-SFHVURJKSA-N	1	3	337.508	1.844	20	30		EDEDHO
O=C(NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)N1CCN2CCC[C@@H]2C1	ZINC000330316234	444934118	/nfs/dbraw/zinc/93/41/18/444934118.db2.gz	PXZRRZLXTPEELY-ZACQAIPSSA-N	1	3	336.480	1.058	20	30		EDEDHO
CN(C)[C@@H]1CCN(C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)C1	ZINC000330892629	445184483	/nfs/dbraw/zinc/18/44/83/445184483.db2.gz	KSKOJYHPMUKALR-UONOGXRCSA-N	1	3	325.457	1.174	20	30		EDEDHO
CN(C)[C@@H]1CCN(C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)C1	ZINC000330892629	445184487	/nfs/dbraw/zinc/18/44/87/445184487.db2.gz	KSKOJYHPMUKALR-UONOGXRCSA-N	1	3	325.457	1.174	20	30		EDEDHO
CC[NH+](CC)CC[C@H](CO)NC(=O)C(C#N)Cc1ccc(C#N)cc1	ZINC000567365720	448678300	/nfs/dbraw/zinc/67/83/00/448678300.db2.gz	KAFNXXLHBNBATN-ZWKOTPCHSA-N	1	3	342.443	1.450	20	30		EDEDHO
N#CC1(C[C@H](O)C[NH2+]CCCN2CCN(c3ccncc3)CC2)CC1	ZINC000600724967	449518970	/nfs/dbraw/zinc/51/89/70/449518970.db2.gz	VIPIJNUYDGUTOP-SFHVURJKSA-N	1	3	343.475	1.238	20	30		EDEDHO
CC(C)(C#N)C[C@H](O)C[NH2+]CCCN1CCN(c2ccncc2)CC1	ZINC000598720208	449562053	/nfs/dbraw/zinc/56/20/53/449562053.db2.gz	LYSJUFRKWPLATQ-SFHVURJKSA-N	1	3	345.491	1.484	20	30		EDEDHO
C[NH+](C)CCCN(CCC#N)C(=O)Nc1ccc2c(c1)OCCNC2	ZINC000599624549	450112572	/nfs/dbraw/zinc/11/25/72/450112572.db2.gz	LHOSWZCTYACXJD-UHFFFAOYSA-N	1	3	345.447	1.868	20	30		EDEDHO
CCN1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(OC)c([N+](=O)[O-])c1	ZINC000264084132	535549794	/nfs/dbraw/zinc/54/97/94/535549794.db2.gz	INDFAOMKKAAZGH-CYBMUJFWSA-N	1	3	335.408	1.492	20	30		EDEDHO
C[C@H](C#N)OCCN1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1	ZINC000801922351	581088124	/nfs/dbraw/zinc/08/81/24/581088124.db2.gz	ITPYGVDZRIZRFN-OAHLLOKOSA-N	1	3	338.496	1.331	20	30		EDEDHO
CCN1CCN(C[C@@H](C)C[NH2+]Cc2cc(C#N)ccc2N(C)C)CC1	ZINC000865448242	596578502	/nfs/dbraw/zinc/57/85/02/596578502.db2.gz	DFZGQUQUFWXLNA-KRWDZBQOSA-N	1	3	343.519	1.987	20	30		EDEDHO
CC[NH+](CC)CC1CCN(C(=O)C2CC3(C2)CNC[C@H]3C#N)CC1	ZINC000884189626	598020619	/nfs/dbraw/zinc/02/06/19/598020619.db2.gz	JYTPPRIJOSWZAB-TVRKMHQQSA-N	1	3	332.492	1.706	20	30		EDEDHO
Cc1ccc([C@H](CNC(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)N(C)C)cc1	ZINC000884196201	598023501	/nfs/dbraw/zinc/02/35/01/598023501.db2.gz	KLGBPANQZFVGNK-NNVNDSJASA-N	1	3	340.471	1.853	20	30		EDEDHO
N#C[C@H]1CNCC12CC(C(=O)N[C@H](CCC[NH3+])c1ccccc1)C2	ZINC000884337089	598073618	/nfs/dbraw/zinc/07/36/18/598073618.db2.gz	CXNNHPHJCWWJOM-DHADLLTHSA-N	1	3	326.444	1.722	20	30		EDEDHO
C#CCN1CCC([C@@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)CC1	ZINC000997123626	703381646	/nfs/dbraw/zinc/38/16/46/703381646.db2.gz	ANCZIYDQHBEPMG-APWZRJJASA-N	1	3	347.503	1.480	20	30		EDEDHO
C#CCN1CCC([C@@H](C)NC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)CC1	ZINC000997123626	703381647	/nfs/dbraw/zinc/38/16/47/703381647.db2.gz	ANCZIYDQHBEPMG-APWZRJJASA-N	1	3	347.503	1.480	20	30		EDEDHO
CC#CCN1CCC([C@H](C)NC(=O)c2cnn(CC[NH+](C)C)c2)CC1	ZINC000997794384	704702734	/nfs/dbraw/zinc/70/27/34/704702734.db2.gz	RHEQVOUWJDADJJ-INIZCTEOSA-N	1	3	345.491	1.298	20	30		EDEDHO
CN(C(=O)[C@@H]1CCCN1C)C1CC([NH2+]Cc2cccc(C#N)c2)C1	ZINC000998556535	705993127	/nfs/dbraw/zinc/99/31/27/705993127.db2.gz	NMEPXIMVPCOKOZ-ABHNRTSZSA-N	1	3	326.444	1.731	20	30		EDEDHO
CN1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2ccc(C#N)c(F)c2)C1	ZINC000998718011	706149551	/nfs/dbraw/zinc/14/95/51/706149551.db2.gz	AFVHLHGPFDHATE-WMZOPIPTSA-N	1	3	344.434	1.872	20	30		EDEDHO
C#CCN(CC#CC)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1	ZINC000490696068	255100351	/nfs/dbraw/zinc/10/03/51/255100351.db2.gz	FVSAPPDJKLTSQZ-UHFFFAOYSA-N	1	3	330.476	1.213	20	30		EDEDHO
CCN1CCN(C[C@H](C)C[NH2+]Cc2ccc(OC)c(C#N)c2)CC1	ZINC000174349696	441915219	/nfs/dbraw/zinc/91/52/19/441915219.db2.gz	CBTXDZKHADXBJD-MRXNPFEDSA-N	1	3	330.476	1.930	20	30		EDEDHO
C=CCN1CCC(NC(=O)N2CCC([N@H+](C)CCCO)CC2)CC1	ZINC000172622768	442506950	/nfs/dbraw/zinc/50/69/50/442506950.db2.gz	FLLDFOMGLILYGQ-UHFFFAOYSA-N	1	3	338.496	1.125	20	30		EDEDHO
C=CCN1CCC(NC(=O)N2CCC([N@@H+](C)CCCO)CC2)CC1	ZINC000172622768	442506954	/nfs/dbraw/zinc/50/69/54/442506954.db2.gz	FLLDFOMGLILYGQ-UHFFFAOYSA-N	1	3	338.496	1.125	20	30		EDEDHO
C=C(C)CN(CC)C(=O)[C@H](C)N(C)CCN(C)C1CC[NH+](C)CC1	ZINC000180958211	442671981	/nfs/dbraw/zinc/67/19/81/442671981.db2.gz	AHWNFZKVGDALOV-KRWDZBQOSA-N	1	3	338.540	1.757	20	30		EDEDHO
CC(C)CNC(=[NH2+])NCCCN1CCN(C)C[C@@H]1c1ccccc1	ZINC000264103797	443248360	/nfs/dbraw/zinc/24/83/60/443248360.db2.gz	OVSQQZDWYLLNBM-GOSISDBHSA-N	1	3	331.508	1.926	20	30		EDEDHO
C#CCC[NH+]1CCC(NC(=O)CC2(N3CCOCC3)CCCC2)CC1	ZINC000370018560	446175012	/nfs/dbraw/zinc/17/50/12/446175012.db2.gz	NTXIJBDIJWGQAO-UHFFFAOYSA-N	1	3	347.503	1.625	20	30		EDEDHO
C=CCN(CC=C)C(=O)[C@@H](C)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1	ZINC000367619826	446568992	/nfs/dbraw/zinc/56/89/92/446568992.db2.gz	WQBOUBHUQOCMHS-IEBWSBKVSA-N	1	3	348.535	1.676	20	30		EDEDHO
C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1	ZINC000418584861	446603997	/nfs/dbraw/zinc/60/39/97/446603997.db2.gz	COQGWOLZKRODOR-QAPCUYQASA-N	1	3	343.475	1.629	20	30		EDEDHO
C=C[C@@H]1OCCC[C@H]1NCC1(C[NH2+][C@@H]2CCCO[C@H]2C=C)COC1	ZINC000451681677	447746811	/nfs/dbraw/zinc/74/68/11/447746811.db2.gz	MTDGAHJXDZVWMM-BDXSIMOUSA-N	1	3	336.476	1.649	20	30		EDEDHO
C#CCN(C)CCCNC(=O)C1CC[NH+](C2CCN(CC)CC2)CC1	ZINC000491761504	448110489	/nfs/dbraw/zinc/11/04/89/448110489.db2.gz	VXMGCDGGDYRMLV-UHFFFAOYSA-N	1	3	348.535	1.254	20	30		EDEDHO
C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1cc(C#N)cc(N(C)C)c1	ZINC000597942289	449152852	/nfs/dbraw/zinc/15/28/52/449152852.db2.gz	KMPOXVGYPJCBAJ-HNNXBMFYSA-N	1	3	345.491	1.626	20	30		EDEDHO
C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1cc(C#N)cc(N(C)C)c1	ZINC000597942289	449152853	/nfs/dbraw/zinc/15/28/53/449152853.db2.gz	KMPOXVGYPJCBAJ-HNNXBMFYSA-N	1	3	345.491	1.626	20	30		EDEDHO
C[C@@H]1CN(Cc2ccccc2)C[C@H]1C[NH2+]C[C@H](O)CN(C)CCC#N	ZINC000601968565	449251516	/nfs/dbraw/zinc/25/15/16/449251516.db2.gz	ORYRGGLBRPRFND-RLLQIKCJSA-N	1	3	344.503	1.550	20	30		EDEDHO
C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC[C@H](O)CN(C)CCC#N	ZINC000601968565	449251521	/nfs/dbraw/zinc/25/15/21/449251521.db2.gz	ORYRGGLBRPRFND-RLLQIKCJSA-N	1	3	344.503	1.550	20	30		EDEDHO
C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC[C@H](O)CN(C)CCC#N	ZINC000601968565	449251526	/nfs/dbraw/zinc/25/15/26/449251526.db2.gz	ORYRGGLBRPRFND-RLLQIKCJSA-N	1	3	344.503	1.550	20	30		EDEDHO
C[C@@H](Cc1ccc(C#N)cc1)C(=O)N(CCN(C)C)CC[NH+](C)C	ZINC000594284281	449430193	/nfs/dbraw/zinc/43/01/93/449430193.db2.gz	UKNKLPAKQSAOMZ-INIZCTEOSA-N	1	3	330.476	1.689	20	30		EDEDHO
N#CC1(C[C@H](O)C[NH2+]Cc2ccccc2CN2CC[C@H](O)C2)CC1	ZINC000600733629	449523753	/nfs/dbraw/zinc/52/37/53/449523753.db2.gz	FGLJICJNPWRLIP-ROUUACIJSA-N	1	3	329.444	1.398	20	30		EDEDHO
C=C(C)[C@@H](CO)N1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1	ZINC000649393151	452061691	/nfs/dbraw/zinc/06/16/91/452061691.db2.gz	KCFNLQKQINJERQ-GOSISDBHSA-N	1	3	337.508	1.628	20	30		EDEDHO
C=CC[C@]1(C(=O)NCc2ccc(CN3CC[C@H](O)C3)cc2)CCC[NH2+]1	ZINC000662859759	453574772	/nfs/dbraw/zinc/57/47/72/453574772.db2.gz	OIEOBRHGRCJGQT-AZUAARDMSA-N	1	3	343.471	1.568	20	30		EDEDHO
C[C@H]([NH2+]CCCN1CCC[C@H](C(N)=O)C1)c1ccc(OCC#N)cc1	ZINC000776157882	580409891	/nfs/dbraw/zinc/40/98/91/580409891.db2.gz	UEGWHZRPONVGAT-RDJZCZTQSA-N	1	3	344.459	1.827	20	30		EDEDHO
CN(C)CCN(Cc1cccc(C#N)c1)C(=O)C12CC[NH+](CC1)C2	ZINC000900418524	592013971	/nfs/dbraw/zinc/01/39/71/592013971.db2.gz	OWYAQRQGWJZLDB-UHFFFAOYSA-N	1	3	326.444	1.544	20	30		EDEDHO
C#CCC[NH+]1CCC(NC(=O)C2C[C@H](c3ccccc3)OC2=O)CC1	ZINC000809688378	593354804	/nfs/dbraw/zinc/35/48/04/593354804.db2.gz	JJANCLSNAJLNJB-QZTJIDSGSA-N	1	3	340.423	1.895	20	30		EDEDHO
C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+]C1CCN(c2ccccc2C#N)CC1	ZINC000873238518	597236070	/nfs/dbraw/zinc/23/60/70/597236070.db2.gz	ARKMEMGUWVGRCF-WBAXXEDZSA-N	1	3	328.460	1.869	20	30		EDEDHO
Cc1ccc([C@H](CNC(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)N(C)C)cc1	ZINC000884196202	598023610	/nfs/dbraw/zinc/02/36/10/598023610.db2.gz	KLGBPANQZFVGNK-NRGCRIOASA-N	1	3	340.471	1.853	20	30		EDEDHO
C=C(Br)C[NH2+]C1CCN(C(=O)C2(N(C)C)CCC2)CC1	ZINC000996674127	702969349	/nfs/dbraw/zinc/96/93/49/702969349.db2.gz	ZWUFNOXHMKVSNF-UHFFFAOYSA-N	1	3	344.297	1.960	20	30		EDEDHO
C[C@@H]1CCN(CC(=O)N(C)C2CC([NH2+]Cc3ccc(C#N)cc3)C2)C1	ZINC000999409835	706919695	/nfs/dbraw/zinc/91/96/95/706919695.db2.gz	TZKCPIPFQRTMLO-VNCLNFNDSA-N	1	3	340.471	1.979	20	30		EDEDHO
C#CCN(C(=O)NCCOCC[NH+](CC)CC)C1CCN(C)CC1	ZINC000921937894	709082563	/nfs/dbraw/zinc/08/25/63/709082563.db2.gz	RLGVRBCVAXBKHZ-UHFFFAOYSA-N	1	3	338.496	1.084	20	30		EDEDHO
C[NH+]=C(NCCCN1CCN(Cc2ccccc2)CC1)NC1CC1	ZINC000103337757	530039146	/nfs/dbraw/zinc/03/91/46/530039146.db2.gz	NIVMSKRNTHOPCM-UHFFFAOYSA-N	1	3	329.492	1.522	20	30		EDEDHO
C=CCN1CCC(NC(=O)c2cn(C)nc2[C@H]2CCC[NH2+]C2)CC1	ZINC000424157139	252148204	/nfs/dbraw/zinc/14/82/04/252148204.db2.gz	PIXORYQLHUSYIH-AWEZNQCLSA-N	1	3	331.464	1.267	20	30		EDEDHO
C[C@@H]1C[N@H+](CCOc2ccc(C#N)cc2)CC[C@H]1N1CCN(C)CC1	ZINC000372329092	156336029	/nfs/dbraw/zinc/33/60/29/156336029.db2.gz	AQMRKNCKJVUECD-YLJYHZDGSA-N	1	3	342.487	1.895	20	30		EDEDHO
C[C@@H]1C[N@@H+](CCOc2ccc(C#N)cc2)CC[C@H]1N1CCN(C)CC1	ZINC000372329092	156336031	/nfs/dbraw/zinc/33/60/31/156336031.db2.gz	AQMRKNCKJVUECD-YLJYHZDGSA-N	1	3	342.487	1.895	20	30		EDEDHO
C[C@H](N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)c1ccc(C#N)c(F)c1	ZINC000423468107	270012481	/nfs/dbraw/zinc/01/24/81/270012481.db2.gz	XVPZSXWBKCVGDM-WILYLXEWSA-N	1	3	344.434	1.995	20	30		EDEDHO
C=CCN(CC=C)[C@H](CNC(=O)[C@]1(CCOC)CC[NH2+]C1)C(C)C	ZINC000378201444	447407615	/nfs/dbraw/zinc/40/76/15/447407615.db2.gz	CYLOPJPOKIOLDP-MJGOQNOKSA-N	1	3	337.508	1.817	20	30		EDEDHO
CCN1CCN(C[C@@H](C)C[NH2+]Cc2ccc(OC)c(C#N)c2)CC1	ZINC000174349684	441915055	/nfs/dbraw/zinc/91/50/55/441915055.db2.gz	CBTXDZKHADXBJD-INIZCTEOSA-N	1	3	330.476	1.930	20	30		EDEDHO
CCN1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(Cn2cncn2)cc1	ZINC000170909280	442286646	/nfs/dbraw/zinc/28/66/46/442286646.db2.gz	MDHCNBZOWZXKFQ-QGZVFWFLSA-N	1	3	341.463	1.215	20	30		EDEDHO
CN1CCN(Cc2ccc(CNC(=[NH2+])Nc3ccccn3)cc2)CC1	ZINC000170911273	442287323	/nfs/dbraw/zinc/28/73/23/442287323.db2.gz	AKOKXWGQGGFEQC-UHFFFAOYSA-N	1	3	338.459	1.756	20	30		EDEDHO
C[NH+]1CCC(N2CCC(NC(=O)c3ccnc(C#N)c3)CC2)CC1	ZINC000193016476	442705702	/nfs/dbraw/zinc/70/57/02/442705702.db2.gz	MWYKIUQCKOLHKE-UHFFFAOYSA-N	1	3	327.432	1.242	20	30		EDEDHO
CCN1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(N2CCCC2=O)cc1	ZINC000264054184	443246488	/nfs/dbraw/zinc/24/64/88/443246488.db2.gz	ABYZWHNVNNMKCR-QGZVFWFLSA-N	1	3	343.475	1.702	20	30		EDEDHO
CCN1CCC[C@@H]1CNC(=[NH2+])NCCNc1ccccc1[N+](=O)[O-]	ZINC000264110503	443248915	/nfs/dbraw/zinc/24/89/15/443248915.db2.gz	OUNBWSRRWWCDTD-CYBMUJFWSA-N	1	3	334.424	1.395	20	30		EDEDHO
COc1ccc(CCNC(=[NH2+])NCCN2CCN(C)C(C)(C)C2)cc1	ZINC000281892573	444033847	/nfs/dbraw/zinc/03/38/47/444033847.db2.gz	YIKQKKIBAVJXQX-UHFFFAOYSA-N	1	3	347.507	1.168	20	30		EDEDHO
CN(C)CCN(C)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1	ZINC000331136474	444411521	/nfs/dbraw/zinc/41/15/21/444411521.db2.gz	IQXDMJZMRSJMQT-HZPDHXFCSA-N	1	3	326.485	1.162	20	30		EDEDHO
C(#CCN1CC[N@@H+]2CCCC[C@H]2C1)CN1CCN2CCCC[C@H]2C1	ZINC000341902598	445062861	/nfs/dbraw/zinc/06/28/61/445062861.db2.gz	AAJBSZOAAWBIMX-PMACEKPBSA-N	1	3	330.520	1.330	20	30		EDEDHO
C(#CCN1CC[N@H+]2CCCC[C@H]2C1)CN1CCN2CCCC[C@H]2C1	ZINC000341902598	445062866	/nfs/dbraw/zinc/06/28/66/445062866.db2.gz	AAJBSZOAAWBIMX-PMACEKPBSA-N	1	3	330.520	1.330	20	30		EDEDHO
CCOCCCN1CC[C@H]([NH2+][C@@H](C)C(=O)N(C)CCC#N)[C@H](C)C1	ZINC000360957108	445741004	/nfs/dbraw/zinc/74/10/04/445741004.db2.gz	OEHLTCMXFBHFKN-IKGGRYGDSA-N	1	3	338.496	1.474	20	30		EDEDHO
N#CC1(C[C@H](O)C[NH2+]Cc2ccccc2CN2CC[C@@H](O)C2)CC1	ZINC000600733623	449523439	/nfs/dbraw/zinc/52/34/39/449523439.db2.gz	FGLJICJNPWRLIP-MSOLQXFVSA-N	1	3	329.444	1.398	20	30		EDEDHO
N#CCCC[C@@H](N)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1	ZINC000595266887	449987953	/nfs/dbraw/zinc/98/79/53/449987953.db2.gz	BMZRJDXJMJEQNB-DAXOMENPSA-N	1	3	336.386	1.548	20	30		EDEDHO
CN1CC[C@@]2(C1)CCC[N@H+](C[C@H](O)COc1ccc(CC#N)cc1)C2	ZINC000595508161	450195374	/nfs/dbraw/zinc/19/53/74/450195374.db2.gz	UQGDVEWRFFUQGM-AZUAARDMSA-N	1	3	343.471	1.910	20	30		EDEDHO
CN1CC[C@@]2(C1)CCC[N@@H+](C[C@H](O)COc1ccc(CC#N)cc1)C2	ZINC000595508161	450195381	/nfs/dbraw/zinc/19/53/81/450195381.db2.gz	UQGDVEWRFFUQGM-AZUAARDMSA-N	1	3	343.471	1.910	20	30		EDEDHO
C=CCN1CCC(NC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)CC1	ZINC000344791683	485953375	/nfs/dbraw/zinc/95/33/75/485953375.db2.gz	WDOZQWLYSFKGJY-MSOLQXFVSA-N	1	3	335.492	1.500	20	30		EDEDHO
CCN1CCC[C@H]1CNC(=[NH2+])NCCCNC(=O)c1cccs1	ZINC000104189298	529100756	/nfs/dbraw/zinc/10/07/56/529100756.db2.gz	YOGWOVJBMHTNNB-ZDUSSCGKSA-N	1	3	337.493	1.257	20	30		EDEDHO
CC[NH+]1CCN(c2cccc(NC(=O)N[C@@H]3CNC[C@H]3C#N)c2)CC1	ZINC000841194566	594866842	/nfs/dbraw/zinc/86/68/42/594866842.db2.gz	MTUUASCRQWSIDG-RHSMWYFYSA-N	1	3	342.447	1.062	20	30		EDEDHO
C=C(C)CCN1CC(N2CCN(C(=O)C[NH+]3[C@@H](C)CC[C@@H]3C)CC2)C1	ZINC000941677675	701616146	/nfs/dbraw/zinc/61/61/46/701616146.db2.gz	SVRNOJRBOBFNEB-ROUUACIJSA-N	1	3	348.535	1.654	20	30		EDEDHO
C#CCN1CCC(C(=O)N[C@H]2CC[N@@H+](C[C@@H](C)OC)CC2(C)C)CC1	ZINC000941238682	701429110	/nfs/dbraw/zinc/42/91/10/701429110.db2.gz	ZWWAPRVGVKCMHV-AEFFLSMTSA-N	1	3	349.519	1.583	20	30		EDEDHO
C#CCN1CCC(C(=O)N[C@H]2CC[N@H+](C[C@@H](C)OC)CC2(C)C)CC1	ZINC000941238682	701429111	/nfs/dbraw/zinc/42/91/11/701429111.db2.gz	ZWWAPRVGVKCMHV-AEFFLSMTSA-N	1	3	349.519	1.583	20	30		EDEDHO
CN1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2ccc(F)c(C#N)c2)C1	ZINC000998721654	706153014	/nfs/dbraw/zinc/15/30/14/706153014.db2.gz	NFPLDCVWZRSYTI-SJLPKXTDSA-N	1	3	344.434	1.872	20	30		EDEDHO
C#CCN1CCC(C(=O)N2CC[C@@]3(C2)CCC[N@@H+](CC=C)C3)CC1	ZINC001040542743	708843780	/nfs/dbraw/zinc/84/37/80/708843780.db2.gz	KMYBOBXVVUTTTQ-FQEVSTJZSA-N	1	3	329.488	1.832	20	30		EDEDHO
C#CCN1CCC(C(=O)N2CC[C@@]3(C2)CCC[N@H+](CC=C)C3)CC1	ZINC001040542743	708843782	/nfs/dbraw/zinc/84/37/82/708843782.db2.gz	KMYBOBXVVUTTTQ-FQEVSTJZSA-N	1	3	329.488	1.832	20	30		EDEDHO
C=CCNC(=O)NC(=O)[C@@H](C)N1CCC2(C[C@@H]2C[N@H+](C)C2CC2)CC1	ZINC000374318885	250259787	/nfs/dbraw/zinc/25/97/87/250259787.db2.gz	SXWIMLRQVLFMAK-HUUCEWRRSA-N	1	3	348.491	1.583	20	30		EDEDHO
C=CCNC(=O)NC(=O)[C@@H](C)N1CCC2(C[C@@H]2C[N@@H+](C)C2CC2)CC1	ZINC000374318885	250259792	/nfs/dbraw/zinc/25/97/92/250259792.db2.gz	SXWIMLRQVLFMAK-HUUCEWRRSA-N	1	3	348.491	1.583	20	30		EDEDHO
C#CCN(C)CCCNC(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3	ZINC000491676522	255139261	/nfs/dbraw/zinc/13/92/61/255139261.db2.gz	OFFZPWKOMAKFMY-UHFFFAOYSA-N	1	3	332.492	1.394	20	30		EDEDHO
C#CCN(C)CCCNC(=O)NCC(C)(C)[NH+]1CCC(OC)CC1	ZINC000491699267	255142862	/nfs/dbraw/zinc/14/28/62/255142862.db2.gz	UMBDBTIRBURUME-UHFFFAOYSA-N	1	3	338.496	1.130	20	30		EDEDHO
C=C[C@@H]1OCCC[C@H]1NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C	ZINC000665036084	453548739	/nfs/dbraw/zinc/54/87/39/453548739.db2.gz	AQGSWSXOAFXNGG-XHSDSOJGSA-N	1	3	326.485	1.291	20	30		EDEDHO
C=C[C@@H]1OCCC[C@H]1NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C	ZINC000665036084	453548744	/nfs/dbraw/zinc/54/87/44/453548744.db2.gz	AQGSWSXOAFXNGG-XHSDSOJGSA-N	1	3	326.485	1.291	20	30		EDEDHO
C[NH+]=C(NCC(=O)Nc1ccccc1)N[C@H]1CN(C(C)C)C[C@@H]1C	ZINC000262023089	443179993	/nfs/dbraw/zinc/17/99/93/443179993.db2.gz	ZEHTYPJOHBTOPP-HOCLYGCPSA-N	1	3	331.464	1.519	20	30		EDEDHO
CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@@]1(C)OCCc2sccc21	ZINC000262349556	443191143	/nfs/dbraw/zinc/19/11/43/443191143.db2.gz	YPGZDHHWOQSSLM-CXAGYDPISA-N	1	3	336.505	1.925	20	30		EDEDHO
C[NH+]=C(NCc1cn2ccccc2n1)N1CC[C@H](N2CCCCC2)C1	ZINC000262484520	443198093	/nfs/dbraw/zinc/19/80/93/443198093.db2.gz	SICWKZYGTNTZLZ-KRWDZBQOSA-N	1	3	340.475	1.970	20	30		EDEDHO
CCN1CCC[C@H]1CNC(=[NH2+])NCc1ccc(N2CC=CC2)cc1	ZINC000267414285	443449188	/nfs/dbraw/zinc/44/91/88/443449188.db2.gz	IWOIJFPEVMHUMM-SFHVURJKSA-N	1	3	327.476	1.951	20	30		EDEDHO
C[NH+]=C(NCCCN(C)Cc1ccccc1)NCCN1CCOCC1	ZINC000264977778	443497803	/nfs/dbraw/zinc/49/78/03/443497803.db2.gz	JDBAYNJOCRYEDA-UHFFFAOYSA-N	1	3	347.507	1.006	20	30		EDEDHO
CCN1CCN(Cc2ccc(CNC(=[NH2+])N(C)C3CC3)cc2)CC1	ZINC000273321183	443567082	/nfs/dbraw/zinc/56/70/82/443567082.db2.gz	GEZOUZCCAVTOPL-UHFFFAOYSA-N	1	3	329.492	1.733	20	30		EDEDHO
C#CC[N@H+](C)CCCNC(=O)CCN1CCN(c2ccccc2)CC1	ZINC000294015842	444099290	/nfs/dbraw/zinc/09/92/90/444099290.db2.gz	QCFYHCLMXYRTDC-UHFFFAOYSA-N	1	3	342.487	1.270	20	30		EDEDHO
C#CC[N@@H+](C)CCCNC(=O)CCN1CCN(c2ccccc2)CC1	ZINC000294015842	444099296	/nfs/dbraw/zinc/09/92/96/444099296.db2.gz	QCFYHCLMXYRTDC-UHFFFAOYSA-N	1	3	342.487	1.270	20	30		EDEDHO
CCN1CCC(NC(=O)NCC2(O)CC[NH+](C(C)C)CC2)CC1	ZINC000329912716	444765742	/nfs/dbraw/zinc/76/57/42/444765742.db2.gz	BKOFIAVFBSCDTK-UHFFFAOYSA-N	1	3	326.485	1.210	20	30		EDEDHO
C=CCN(CC=C)[C@H](CNC(=O)N1CCCO[C@H](C[NH3+])C1)C(C)C	ZINC000417072860	447733740	/nfs/dbraw/zinc/73/37/40/447733740.db2.gz	XNTMORFCBOTQLR-IAGOWNOFSA-N	1	3	338.496	1.444	20	30		EDEDHO
C#CCN(C)CCCNC(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000491778962	448118302	/nfs/dbraw/zinc/11/83/02/448118302.db2.gz	JPRVIASKLOCPJJ-IBGZPJMESA-N	1	3	342.487	1.763	20	30		EDEDHO
C#CCN(C)CCCNC(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000491778962	448118305	/nfs/dbraw/zinc/11/83/05/448118305.db2.gz	JPRVIASKLOCPJJ-IBGZPJMESA-N	1	3	342.487	1.763	20	30		EDEDHO
CC[NH+]1CCC(N2CCCN(Cc3ccnc(C#N)c3)CC2)CC1	ZINC000591478030	448376566	/nfs/dbraw/zinc/37/65/66/448376566.db2.gz	HIYJCYRLVIAQHI-UHFFFAOYSA-N	1	3	327.476	1.945	20	30		EDEDHO
C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+]C1CCN(Cc2cccc(C#N)c2)CC1	ZINC000593324027	449226749	/nfs/dbraw/zinc/22/67/49/449226749.db2.gz	VUOAZLWAQGPVHV-YSSFQJQWSA-N	1	3	342.487	1.865	20	30		EDEDHO
N#CC1(C[C@H](O)C[NH2+]Cc2ccccc2CN2CCC(O)CC2)CC1	ZINC000600731446	449522444	/nfs/dbraw/zinc/52/24/44/449522444.db2.gz	XJQXBISYPCDLHB-IBGZPJMESA-N	1	3	343.471	1.788	20	30		EDEDHO
C[NH+](C)C[C@]1(O)CCCN(C(=O)C(C#N)CCc2ccccc2)C1	ZINC000597574297	450118216	/nfs/dbraw/zinc/11/82/16/450118216.db2.gz	OXXZSSFDMJXNGM-IEBWSBKVSA-N	1	3	329.444	1.674	20	30		EDEDHO
C=CCN1CCC(NC(=O)Nc2cnn(C3CC[NH+](C)CC3)c2)CC1	ZINC000636738896	451459541	/nfs/dbraw/zinc/45/95/41/451459541.db2.gz	FUHUWNUIYKYUFD-UHFFFAOYSA-N	1	3	346.479	1.922	20	30		EDEDHO
CCN1CCC[C@H]1CNC(=[NH2+])NC[C@H](c1ccc(F)cc1)N(C)C	ZINC000264077951	535596581	/nfs/dbraw/zinc/59/65/81/535596581.db2.gz	GHUQJZRSZCAMIP-DLBZAZTESA-N	1	3	335.471	1.817	20	30		EDEDHO
C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)C#Cc1ccc2c(c1)OCO2	ZINC000855346242	595680743	/nfs/dbraw/zinc/68/07/43/595680743.db2.gz	SVWKNMGJXGMKAU-HNNXBMFYSA-N	1	3	345.443	1.155	20	30		EDEDHO
C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)C#Cc1ccc2c(c1)OCO2	ZINC000855346242	595680745	/nfs/dbraw/zinc/68/07/45/595680745.db2.gz	SVWKNMGJXGMKAU-HNNXBMFYSA-N	1	3	345.443	1.155	20	30		EDEDHO
C=C(Cl)C[C@@H](N)C(=O)NCC1([NH+]2CCCCC2)CCOCC1	ZINC000876763838	597329444	/nfs/dbraw/zinc/32/94/44/597329444.db2.gz	JDCPJXBESAAQHV-CQSZACIVSA-N	1	3	329.872	1.608	20	30		EDEDHO
CC[NH+](CC)[C@H](CNC(=O)C1CC2(C1)CNC[C@H]2C#N)CC(C)C	ZINC000884184248	598017632	/nfs/dbraw/zinc/01/76/32/598017632.db2.gz	KSVBPNUVIRJHMO-ISXWCOSWSA-N	1	3	334.508	1.998	20	30		EDEDHO
N#C[C@H]1CNCC12CC(C(=O)Nc1ncc(C3CC[NH2+]CC3)s1)C2	ZINC000884338103	598074195	/nfs/dbraw/zinc/07/41/95/598074195.db2.gz	YOFLGIPBCNAALI-JZLYGMAVSA-N	1	3	345.472	1.688	20	30		EDEDHO
N#C[C@@H]1CNCC12CC(C(=O)NCC1([NH3+])C3CC4CC(C3)CC1C4)C2	ZINC000884345933	598076528	/nfs/dbraw/zinc/07/65/28/598076528.db2.gz	TZZLYCWYFPZFSZ-QPZLXGESSA-N	1	3	342.487	1.396	20	30		EDEDHO
C=C(Br)C[NH2+]C1CCN(C(=O)[C@H](CC)N(C)C)CC1	ZINC000997011308	703271698	/nfs/dbraw/zinc/27/16/98/703271698.db2.gz	YEPLWLDFCNQPDB-ZDUSSCGKSA-N	1	3	332.286	1.816	20	30		EDEDHO
N#Cc1ccc(C[NH2+]C2CCN(C(=O)CN3CCCC3)CC2)cc1	ZINC000997306336	703565147	/nfs/dbraw/zinc/56/51/47/703565147.db2.gz	DRCBNGRUYOXOQG-UHFFFAOYSA-N	1	3	326.444	1.735	20	30		EDEDHO
C#CCN1CCC(C(=O)NC2CC[NH+](C[C@H]3CCCCO3)CC2)CC1	ZINC001004201363	703928759	/nfs/dbraw/zinc/92/87/59/703928759.db2.gz	NPZNOIZQCPDUFL-LJQANCHMSA-N	1	3	347.503	1.481	20	30		EDEDHO
C#CCN1CCC(C(=O)N[C@H]2CCCC[N@@H+](C[C@@H](CC)OC)C2)CC1	ZINC001034538555	710211710	/nfs/dbraw/zinc/21/17/10/710211710.db2.gz	PIVUHGHCEJRDKW-RBUKOAKNSA-N	1	3	349.519	1.727	20	30		EDEDHO
C#CCN1CCC(C(=O)N[C@H]2CCCC[N@H+](C[C@@H](CC)OC)C2)CC1	ZINC001034538555	710211711	/nfs/dbraw/zinc/21/17/11/710211711.db2.gz	PIVUHGHCEJRDKW-RBUKOAKNSA-N	1	3	349.519	1.727	20	30		EDEDHO
CCN1CCC[C@H]1CNC(=[NH2+])NCc1cccc(N2CCCC2=O)c1	ZINC000170904658	442286504	/nfs/dbraw/zinc/28/65/04/442286504.db2.gz	VJETVURAIPPEGV-KRWDZBQOSA-N	1	3	343.475	1.702	20	30		EDEDHO
CCN1CCC[C@H]1CNC(=[NH2+])NCCOc1ncccc1Cl	ZINC000268436497	442988444	/nfs/dbraw/zinc/98/84/44/442988444.db2.gz	KIEGCTPRJISIJD-LBPRGKRZSA-N	1	3	325.844	1.502	20	30		EDEDHO
C#CCN1CCC(C(=O)N[C@@H]2CC[N@@H+](C[C@@H]3CCCO3)C[C@@H]2C)CC1	ZINC000364547092	445931828	/nfs/dbraw/zinc/93/18/28/445931828.db2.gz	OVDIOYZMLKQAQX-YTQUADARSA-N	1	3	347.503	1.337	20	30		EDEDHO
C#CCN1CCC(C(=O)N[C@@H]2CC[N@H+](C[C@@H]3CCCO3)C[C@@H]2C)CC1	ZINC000364547092	445931833	/nfs/dbraw/zinc/93/18/33/445931833.db2.gz	OVDIOYZMLKQAQX-YTQUADARSA-N	1	3	347.503	1.337	20	30		EDEDHO
C=C(C)CN(CC)C(=O)CN(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1	ZINC000367117629	446510766	/nfs/dbraw/zinc/51/07/66/446510766.db2.gz	RIPHVYLIHARXBE-GOSISDBHSA-N	1	3	336.524	1.511	20	30		EDEDHO
CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1	ZINC000418785110	446701413	/nfs/dbraw/zinc/70/14/13/446701413.db2.gz	HNHLCDBZISYRML-QZTJIDSGSA-N	1	3	343.475	1.759	20	30		EDEDHO
C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)[C@H](N)CCCC#N)CC1	ZINC000424150946	446860333	/nfs/dbraw/zinc/86/03/33/446860333.db2.gz	GUHVDTNQBWDKPX-IXDOHACOSA-N	1	3	335.496	1.025	20	30		EDEDHO
C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)[C@H](N)CCCC#N)CC1	ZINC000424150946	446860341	/nfs/dbraw/zinc/86/03/41/446860341.db2.gz	GUHVDTNQBWDKPX-IXDOHACOSA-N	1	3	335.496	1.025	20	30		EDEDHO
C#CCN(C)CCCNC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1	ZINC000491805357	448133378	/nfs/dbraw/zinc/13/33/78/448133378.db2.gz	OECKXSSFTJOUJH-WMZOPIPTSA-N	1	3	332.492	1.600	20	30		EDEDHO
C#CCN(C)CCCNC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1	ZINC000491805357	448133380	/nfs/dbraw/zinc/13/33/80/448133380.db2.gz	OECKXSSFTJOUJH-WMZOPIPTSA-N	1	3	332.492	1.600	20	30		EDEDHO
C[NH+]1CCC(N2CCC(NC(=O)N3CCC(CC#N)CC3)CC2)CC1	ZINC000541918310	448702817	/nfs/dbraw/zinc/70/28/17/448702817.db2.gz	XONLTOJOVWOUQH-UHFFFAOYSA-N	1	3	347.507	1.880	20	30		EDEDHO
CC[NH+]1CCC(N2CCC(C(=O)NCC3(CC#N)CC3)CC2)CC1	ZINC000581319737	448972260	/nfs/dbraw/zinc/97/22/60/448972260.db2.gz	JXLOIFSHIRUQBX-UHFFFAOYSA-N	1	3	332.492	1.993	20	30		EDEDHO
C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1c(F)cc(C#N)cc1F	ZINC000597943045	449152470	/nfs/dbraw/zinc/15/24/70/449152470.db2.gz	SSHVPLUZXKNEGB-LBPRGKRZSA-N	1	3	338.402	1.838	20	30		EDEDHO
C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1c(F)cc(C#N)cc1F	ZINC000597943045	449152474	/nfs/dbraw/zinc/15/24/74/449152474.db2.gz	SSHVPLUZXKNEGB-LBPRGKRZSA-N	1	3	338.402	1.838	20	30		EDEDHO
N#CCCCC[C@H](N)C(=O)NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1	ZINC000595961829	449283481	/nfs/dbraw/zinc/28/34/81/449283481.db2.gz	URJZCUVKXTWKNZ-ROUUACIJSA-N	1	3	344.459	1.281	20	30		EDEDHO
N#CCCCC[C@H](N)C(=O)NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1	ZINC000595961829	449283485	/nfs/dbraw/zinc/28/34/85/449283485.db2.gz	URJZCUVKXTWKNZ-ROUUACIJSA-N	1	3	344.459	1.281	20	30		EDEDHO
C=C(C)[C@H](CO)N1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1	ZINC000649393152	452061267	/nfs/dbraw/zinc/06/12/67/452061267.db2.gz	KCFNLQKQINJERQ-SFHVURJKSA-N	1	3	337.508	1.628	20	30		EDEDHO
C=CC[C@]1(C(=O)NCc2ccc(OCCN(C)C)cc2)CCC[NH2+]1	ZINC000662675316	453392849	/nfs/dbraw/zinc/39/28/49/453392849.db2.gz	KZHDAYPXZZBOHH-LJQANCHMSA-N	1	3	331.460	1.942	20	30		EDEDHO
C#CCN1CCC(C(=O)N(CC[NH+](C)C)Cc2cccs2)CC1	ZINC000175665188	526917164	/nfs/dbraw/zinc/91/71/64/526917164.db2.gz	RDYYOOPCNAKMKN-UHFFFAOYSA-N	1	3	333.501	1.984	20	30		EDEDHO
COc1ccc(CNC(=O)N(CCN(C)C)CC[NH+](C)C)cc1C#N	ZINC000747434886	579643453	/nfs/dbraw/zinc/64/34/53/579643453.db2.gz	AANVFQUGBBQRPX-UHFFFAOYSA-N	1	3	347.463	1.202	20	30		EDEDHO
C=CCN1CCC(NC(=O)C(=O)Nc2ccc(C(C)(C)[NH3+])cc2)CC1	ZINC000906649780	592233988	/nfs/dbraw/zinc/23/39/88/592233988.db2.gz	HECRTAFOMDOTTJ-UHFFFAOYSA-N	1	3	344.459	1.586	20	30		EDEDHO
N#Cc1ccc(OC[C@H](O)C[N@@H+]2CCNCCC23CCOCC3)cc1	ZINC000903819950	592332991	/nfs/dbraw/zinc/33/29/91/592332991.db2.gz	RDEBUBDNKYMOFT-QGZVFWFLSA-N	1	3	345.443	1.142	20	30		EDEDHO
N#Cc1ccc(OC[C@H](O)C[N@H+]2CCNCCC23CCOCC3)cc1	ZINC000903819950	592332996	/nfs/dbraw/zinc/33/29/96/592332996.db2.gz	RDEBUBDNKYMOFT-QGZVFWFLSA-N	1	3	345.443	1.142	20	30		EDEDHO
N#Cc1cccc(NC(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CCNCC2)c1	ZINC000905295771	592487090	/nfs/dbraw/zinc/48/70/90/592487090.db2.gz	ZTEHAHZYLLLPAI-HDICACEKSA-N	1	3	339.443	1.991	20	30		EDEDHO
N#Cc1cccc(NC(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CCNCC2)c1	ZINC000905295771	592487092	/nfs/dbraw/zinc/48/70/92/592487092.db2.gz	ZTEHAHZYLLLPAI-HDICACEKSA-N	1	3	339.443	1.991	20	30		EDEDHO
CN1CCC[NH+]=C1NCCCCN1CCN(c2ccccc2)CC1	ZINC000849110561	595483625	/nfs/dbraw/zinc/48/36/25/595483625.db2.gz	JBVLTNAOHOMTEY-UHFFFAOYSA-N	1	3	329.492	1.870	20	30		EDEDHO
CCN1CCN(c2ccc(NC(=O)C#CC3CC[NH2+]CC3)cc2)CC1	ZINC000852873130	595591202	/nfs/dbraw/zinc/59/12/02/595591202.db2.gz	WFYRGUFZLCBUQR-UHFFFAOYSA-N	1	3	340.471	1.770	20	30		EDEDHO
C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)C#CC1CC[NH2+]CC1	ZINC000852884200	595597858	/nfs/dbraw/zinc/59/78/58/595597858.db2.gz	GSSVUPYAKXYBFK-APWZRJJASA-N	1	3	325.456	1.626	20	30		EDEDHO
C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1NCc1ccc(C#N)s1	ZINC000939545292	699687449	/nfs/dbraw/zinc/68/74/49/699687449.db2.gz	NNDDVYJHBLGVKF-CZUORRHYSA-N	1	3	344.484	1.652	20	30		EDEDHO
C#CCN1CCC(C(=O)N(C)[C@@H]2CC[N@@H+](C[C@@H](CC)OC)C2)CC1	ZINC001033686061	708500334	/nfs/dbraw/zinc/50/03/34/708500334.db2.gz	ZGNVQTGMYDFIHT-QZTJIDSGSA-N	1	3	335.492	1.289	20	30		EDEDHO
C#CCN1CCC(C(=O)N(C)[C@@H]2CC[N@H+](C[C@@H](CC)OC)C2)CC1	ZINC001033686061	708500335	/nfs/dbraw/zinc/50/03/35/708500335.db2.gz	ZGNVQTGMYDFIHT-QZTJIDSGSA-N	1	3	335.492	1.289	20	30		EDEDHO
C=CCC[N@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CN3CC4CC3(C4)CO2)C1	ZINC001033905911	709033902	/nfs/dbraw/zinc/03/39/02/709033902.db2.gz	MTYKWCGZGURTCF-VZDIDWBNSA-N	1	3	333.476	1.349	20	30		EDEDHO
C=CCC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CN3CC4CC3(C4)CO2)C1	ZINC001033905911	709033904	/nfs/dbraw/zinc/03/39/04/709033904.db2.gz	MTYKWCGZGURTCF-VZDIDWBNSA-N	1	3	333.476	1.349	20	30		EDEDHO
CN1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(C#N)cc1	ZINC001034883983	711287062	/nfs/dbraw/zinc/28/70/62/711287062.db2.gz	YNLIDVRERSCUPF-QZTJIDSGSA-N	1	3	326.444	1.733	20	30		EDEDHO
C[C@H](N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)c1cccc(C#N)c1	ZINC000423447350	270012219	/nfs/dbraw/zinc/01/22/19/270012219.db2.gz	DCXKWROKEXPUNI-IRWQIABSSA-N	1	3	326.444	1.856	20	30		EDEDHO
CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CCN(C)c2ccccc21	ZINC000170907814	442286659	/nfs/dbraw/zinc/28/66/59/442286659.db2.gz	JUFQIVAHQZYKAM-JKSUJKDBSA-N	1	3	329.492	1.999	20	30		EDEDHO
CCN1CCN(Cc2ccccc2C[NH+]=C(N(C)C)N(C)C)CC1	ZINC000262009368	443179544	/nfs/dbraw/zinc/17/95/44/443179544.db2.gz	SQTXWFXZSNLUIU-UHFFFAOYSA-N	1	3	331.508	1.803	20	30		EDEDHO
CCN1CCC[C@@H]1CNC(=[NH2+])NCc1cnn(-c2ccccc2)c1	ZINC000264123010	443251034	/nfs/dbraw/zinc/25/10/34/443251034.db2.gz	RLYCNSGYDAOLMB-QGZVFWFLSA-N	1	3	326.448	1.761	20	30		EDEDHO
CCN1CCC[C@H]1CNC(=[NH2+])NCc1cccc2c1OCCCO2	ZINC000269306632	443275558	/nfs/dbraw/zinc/27/55/58/443275558.db2.gz	UALODSVWNCSDJJ-HNNXBMFYSA-N	1	3	332.448	1.737	20	30		EDEDHO
C[C@H](NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1cn[nH]c1	ZINC000328777755	444349417	/nfs/dbraw/zinc/34/94/17/444349417.db2.gz	DGQKEOLAWDSQQR-ZDUSSCGKSA-N	1	3	334.468	1.533	20	30		EDEDHO
CC(C#N)C(=O)NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1	ZINC000347102113	445231829	/nfs/dbraw/zinc/23/18/29/445231829.db2.gz	HMNMQKQWYMODGF-BBRMVZONSA-N	1	3	328.416	1.160	20	30		EDEDHO
CC(C#N)C(=O)NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1	ZINC000347102113	445231831	/nfs/dbraw/zinc/23/18/31/445231831.db2.gz	HMNMQKQWYMODGF-BBRMVZONSA-N	1	3	328.416	1.160	20	30		EDEDHO
C=C(C)C[NH+]1CCC(NC(=O)N(C)C[C@@H]2C[C@@H](OC)CN2C)CC1	ZINC000347087306	445231259	/nfs/dbraw/zinc/23/12/59/445231259.db2.gz	GMFPDDKOXWTMDB-DLBZAZTESA-N	1	3	338.496	1.387	20	30		EDEDHO
CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NCCC[NH2+]C1CC1	ZINC000418301368	446491016	/nfs/dbraw/zinc/49/10/16/446491016.db2.gz	OSEFGRMZXKZJMQ-UHFFFAOYSA-N	1	3	343.475	1.774	20	30		EDEDHO
C[C@@H]1C[C@@H](NC[C@H](O)CN(C)CCC#N)CC[N@@H+]1Cc1ccccc1	ZINC000576389721	448042385	/nfs/dbraw/zinc/04/23/85/448042385.db2.gz	AAPAMYCUXIGWRA-HOJAQTOUSA-N	1	3	344.503	1.835	20	30		EDEDHO
C[C@@H]1C[C@@H](NC[C@H](O)CN(C)CCC#N)CC[N@H+]1Cc1ccccc1	ZINC000576389721	448042387	/nfs/dbraw/zinc/04/23/87/448042387.db2.gz	AAPAMYCUXIGWRA-HOJAQTOUSA-N	1	3	344.503	1.835	20	30		EDEDHO
COc1ccc(C#N)cc1NC(=O)N(CCN(C)C)CC[NH+](C)C	ZINC000527376262	448220579	/nfs/dbraw/zinc/22/05/79/448220579.db2.gz	DYLMUZOHDRGGAT-UHFFFAOYSA-N	1	3	333.436	1.524	20	30		EDEDHO
CN(C)Cc1cccc(C[NH2+]C[C@@H](O)CC2(C#N)CCOCC2)c1	ZINC000600717724	449515951	/nfs/dbraw/zinc/51/59/51/449515951.db2.gz	MJHYAEDMYRCMIQ-SFHVURJKSA-N	1	3	331.460	1.909	20	30		EDEDHO
CN1CCN(c2ccncc2NC(=O)[C@@H]([NH3+])CCCCC#N)CC1	ZINC000594438533	449517669	/nfs/dbraw/zinc/51/76/69/449517669.db2.gz	JXJSELHWEQLDPU-AWEZNQCLSA-N	1	3	330.436	1.183	20	30		EDEDHO
C=CC[C@@]1(C(=O)N2CCC(CN3CCN(C)CC3)CC2)CCC[NH2+]1	ZINC000662788247	453522025	/nfs/dbraw/zinc/52/20/25/453522025.db2.gz	LNZJUCIZNAVXMN-IBGZPJMESA-N	1	3	334.508	1.171	20	30		EDEDHO
CC(C)(C)NCCNC1=[NH+]C[C@H]2CN(C(=O)OC(C)(C)C)CCN12	ZINC000089120874	526327469	/nfs/dbraw/zinc/32/74/69/526327469.db2.gz	MYVFBOCDMNGHBS-ZDUSSCGKSA-N	1	3	339.484	1.255	20	30		EDEDHO
CCN1CCC[C@@H]1CNC(=[NH2+])NCc1ccccc1-n1ccnc1	ZINC000264074702	535550025	/nfs/dbraw/zinc/55/00/25/535550025.db2.gz	FIHYWPPJMRNTDK-MRXNPFEDSA-N	1	3	326.448	1.761	20	30		EDEDHO
C#CCN1CCC(C(=O)N2CCC[N@H+](C[C@@H]3CCCO3)CC2)CC1	ZINC000751384513	579803951	/nfs/dbraw/zinc/80/39/51/579803951.db2.gz	RFSRCOULBXSDQH-SFHVURJKSA-N	1	3	333.476	1.045	20	30		EDEDHO
C#CCN1CCC(C(=O)N2CCC[N@@H+](C[C@@H]3CCCO3)CC2)CC1	ZINC000751384513	579803952	/nfs/dbraw/zinc/80/39/52/579803952.db2.gz	RFSRCOULBXSDQH-SFHVURJKSA-N	1	3	333.476	1.045	20	30		EDEDHO
O=C(C#CC1CC[NH2+]CC1)NCC1(N2CCSCC2)CCCC1	ZINC000852860212	595582209	/nfs/dbraw/zinc/58/22/09/595582209.db2.gz	NNTLLRUTPCIISL-UHFFFAOYSA-N	1	3	335.517	1.467	20	30		EDEDHO
CN(C)C1(CNC(=O)C#CC2CC[NH2+]CC2)Cc2ccccc2C1	ZINC000852869612	595589504	/nfs/dbraw/zinc/58/95/04/595589504.db2.gz	CQLRXJJQGZSJSO-UHFFFAOYSA-N	1	3	325.456	1.205	20	30		EDEDHO
C[C@H](N)[C@H]1COCC[C@H]1[NH2+]C1CCN(c2ccccc2C#N)CC1	ZINC000873238515	597235663	/nfs/dbraw/zinc/23/56/63/597235663.db2.gz	ARKMEMGUWVGRCF-BMGDILEWSA-N	1	3	328.460	1.869	20	30		EDEDHO
C[NH+]1CCC(CNC(=O)[C@@H](N)CCCC#N)(c2ccccc2)CC1	ZINC000877224641	597466397	/nfs/dbraw/zinc/46/63/97/597466397.db2.gz	LNYAFGBXHWGAOR-KRWDZBQOSA-N	1	3	328.460	1.787	20	30		EDEDHO
C=C(C)CN1CCC[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@@H]1C	ZINC000993359896	696005858	/nfs/dbraw/zinc/00/58/58/696005858.db2.gz	DSEQIIMKZDBIDU-JKSUJKDBSA-N	1	3	333.480	1.604	20	30		EDEDHO
N#Cc1cc(C[NH2+]C2CCN(C(=O)CN3CCCC3)CC2)ccc1F	ZINC000997307519	703565821	/nfs/dbraw/zinc/56/58/21/703565821.db2.gz	SYPFGHFQMRDSSB-UHFFFAOYSA-N	1	3	344.434	1.874	20	30		EDEDHO
C#CCN1CCC(C(=O)N(C)[C@H]2CC[N@H+](CCOC3CCC3)C2)CC1	ZINC001033684040	708495641	/nfs/dbraw/zinc/49/56/41/708495641.db2.gz	CFODDAWIMPGFBP-SFHVURJKSA-N	1	3	347.503	1.433	20	30		EDEDHO
C#CCN1CCC(C(=O)N(C)[C@H]2CC[N@@H+](CCOC3CCC3)C2)CC1	ZINC001033684040	708495643	/nfs/dbraw/zinc/49/56/43/708495643.db2.gz	CFODDAWIMPGFBP-SFHVURJKSA-N	1	3	347.503	1.433	20	30		EDEDHO
C#CCCN1CC[C@H](N(C)C(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)C1	ZINC001033139642	711935832	/nfs/dbraw/zinc/93/58/32/711935832.db2.gz	HLJFKGDRDPWPEH-ZWKOTPCHSA-N	1	3	333.476	1.186	20	30		EDEDHO
C#CCCN1CC[C@H](N(C)C(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C1	ZINC001033139642	711935835	/nfs/dbraw/zinc/93/58/35/711935835.db2.gz	HLJFKGDRDPWPEH-ZWKOTPCHSA-N	1	3	333.476	1.186	20	30		EDEDHO
CCN1CCN(CCCCNC(=[NH2+])NCc2ccccc2OC)CC1	ZINC000170903808	442285794	/nfs/dbraw/zinc/28/57/94/442285794.db2.gz	LDZYQIWKFQQKAN-UHFFFAOYSA-N	1	3	347.507	1.517	20	30		EDEDHO
CN(C(=[NH2+])NCc1cccc(CN2CCC[C@@H](C(N)=O)C2)c1)C1CC1	ZINC000273313223	443566046	/nfs/dbraw/zinc/56/60/46/443566046.db2.gz	CQRUHERGRWIVKJ-MRXNPFEDSA-N	1	3	343.475	1.293	20	30		EDEDHO
C[C@@H]([NH2+]CCCCN1CCN(CCO)CC1)c1cccc(C#N)c1	ZINC000344116041	444789368	/nfs/dbraw/zinc/78/93/68/444789368.db2.gz	FULVORSKHSZRDK-QGZVFWFLSA-N	1	3	330.476	1.599	20	30		EDEDHO
C=CCN1CCC(NC(=O)NC[C@@]2([NH+](C)C)CCSC2)CC1	ZINC000360664491	445720462	/nfs/dbraw/zinc/72/04/62/445720462.db2.gz	PYFJFNLREWLHDC-INIZCTEOSA-N	1	3	326.510	1.373	20	30		EDEDHO
C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)N[C@H]1CCC[C@H](C#N)C1	ZINC000361431111	445767148	/nfs/dbraw/zinc/76/71/48/445767148.db2.gz	BXCDZSQLEVQVCF-FHWLQOOXSA-N	1	3	342.487	1.947	20	30		EDEDHO
Cc1cc(NC(=O)[C@@H](N)CCCCC#N)n(C2CC[NH+](C)CC2)n1	ZINC000594437343	449516436	/nfs/dbraw/zinc/51/64/36/449516436.db2.gz	BBXLRYNOUHOOIM-HNNXBMFYSA-N	1	3	332.452	1.808	20	30		EDEDHO
CC[NH+]1CCC(N2CCC(C(=O)N(CC#N)CCOC)CC2)CC1	ZINC000582855684	485835856	/nfs/dbraw/zinc/83/58/56/485835856.db2.gz	YTFNTXBPJWXISI-UHFFFAOYSA-N	1	3	336.480	1.181	20	30		EDEDHO
C=CCN(CC=C)[C@@H](CNC(=O)C[C@@]1(O)CCC[N@H+](C)C1)C(C)C	ZINC000900691455	592096534	/nfs/dbraw/zinc/09/65/34/592096534.db2.gz	YAYLROXDYCJKSF-HKUYNNGSSA-N	1	3	337.508	1.648	20	30		EDEDHO
C=CCN(CC=C)[C@@H](CNC(=O)C[C@@]1(O)CCC[N@@H+](C)C1)C(C)C	ZINC000900691455	592096537	/nfs/dbraw/zinc/09/65/37/592096537.db2.gz	YAYLROXDYCJKSF-HKUYNNGSSA-N	1	3	337.508	1.648	20	30		EDEDHO
N#CCCC[C@H](N)C(=O)Nc1ccc(C(=O)OC2CC[NH2+]CC2)cc1	ZINC000818538566	593703863	/nfs/dbraw/zinc/70/38/63/593703863.db2.gz	OATWBWVWMFVCRO-INIZCTEOSA-N	1	3	344.415	1.555	20	30		EDEDHO
N#Cc1ccc([C@H](O)C[NH2+]C2CCN([C@@H]3CCCC[C@@H]3O)CC2)cc1	ZINC000819174431	593742821	/nfs/dbraw/zinc/74/28/21/593742821.db2.gz	QBPNBIHOGCSNLM-HSALFYBXSA-N	1	3	343.471	1.949	20	30		EDEDHO
CCc1ccc([C@H](CNC(=O)C#CC2CC[NH2+]CC2)N(C)C)cc1	ZINC000852855461	595577346	/nfs/dbraw/zinc/57/73/46/595577346.db2.gz	ZKKRFULQFDCNKX-IBGZPJMESA-N	1	3	327.472	1.971	20	30		EDEDHO
CN(C)CCOc1ccc(CCNC(=O)C#CC2CC[NH2+]CC2)cc1	ZINC000852865357	595585862	/nfs/dbraw/zinc/58/58/62/595585862.db2.gz	AEZVYPVPUOXOIV-UHFFFAOYSA-N	1	3	343.471	1.289	20	30		EDEDHO
CN(C)CCN(Cc1ccccc1F)C(=O)C#CC1CC[NH2+]CC1	ZINC000852879929	595594941	/nfs/dbraw/zinc/59/49/41/595594941.db2.gz	IEKYDXANTZWKEB-UHFFFAOYSA-N	1	3	331.435	1.719	20	30		EDEDHO
C#CC[C@H](CCOC)NC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1	ZINC000863781636	596684365	/nfs/dbraw/zinc/68/43/65/596684365.db2.gz	PASOAWDGBYIPJV-GOSISDBHSA-N	1	3	349.519	1.727	20	30		EDEDHO
C=C(Cl)C[C@H](N)C(=O)NCc1cccc(OCC[NH+](C)C)c1	ZINC000876719236	597303533	/nfs/dbraw/zinc/30/35/33/597303533.db2.gz	GLWQIEIRJLDSKF-HNNXBMFYSA-N	1	3	325.840	1.713	20	30		EDEDHO
C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCC(CC)(N2CCOCC2)CC1	ZINC000877081698	597427765	/nfs/dbraw/zinc/42/77/65/597427765.db2.gz	QLNMGCWAEDHHLD-CQSZACIVSA-N	1	3	329.872	1.560	20	30		EDEDHO
CC[NH+](CC)[C@@H](CNC(=O)C1CC2(C1)CNC[C@H]2C#N)CC(C)C	ZINC000884184250	598017918	/nfs/dbraw/zinc/01/79/18/598017918.db2.gz	KSVBPNUVIRJHMO-VZDIDWBNSA-N	1	3	334.508	1.998	20	30		EDEDHO
N#C[C@@H]1CNCC12CC(C(=O)N1CC[C@@H](C[NH+]3CCCCC3)C1)C2	ZINC000884227641	598036343	/nfs/dbraw/zinc/03/63/43/598036343.db2.gz	UXHDZUQRALPBPX-SDDULXJBSA-N	1	3	330.476	1.460	20	30		EDEDHO
N#C[C@@H]1CNCC12CC(C(=O)N1CCC[C@@H]([C@H]3CCC[NH2+]C3)C1)C2	ZINC000884294486	598057812	/nfs/dbraw/zinc/05/78/12/598057812.db2.gz	CFGIXZRVQGBUJE-HZQKMGKZSA-N	1	3	330.476	1.364	20	30		EDEDHO
C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2CN3CC4CC3(C4)CO2)CC1(C)C	ZINC000996069687	702480640	/nfs/dbraw/zinc/48/06/40/702480640.db2.gz	KUCXKSZQRLDUKM-BWRBCVJASA-N	1	3	333.476	1.252	20	30		EDEDHO
C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CN4CCC[C@H]4CO3)CC[C@@H]2C1	ZINC000946597723	704293186	/nfs/dbraw/zinc/29/31/86/704293186.db2.gz	HSYNSECKIMGERI-RDGPPVDQSA-N	1	3	347.503	1.596	20	30		EDEDHO
C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CN4CCC[C@H]4CO3)CC[C@@H]2C1	ZINC000946597723	704293187	/nfs/dbraw/zinc/29/31/87/704293187.db2.gz	HSYNSECKIMGERI-RDGPPVDQSA-N	1	3	347.503	1.596	20	30		EDEDHO
CN(C(=O)CN1CCCC1)C1CC([NH2+]Cc2ccc(F)c(C#N)c2)C1	ZINC000999832330	707462930	/nfs/dbraw/zinc/46/29/30/707462930.db2.gz	FQFXLCACEOXYAS-UHFFFAOYSA-N	1	3	344.434	1.872	20	30		EDEDHO
C#CCN1CCC(C(=O)N(C)[C@@H]2CC[N@@H+](C[C@H](CC)OC)C2)CC1	ZINC001033686060	708500424	/nfs/dbraw/zinc/50/04/24/708500424.db2.gz	ZGNVQTGMYDFIHT-MSOLQXFVSA-N	1	3	335.492	1.289	20	30		EDEDHO
C#CCN1CCC(C(=O)N(C)[C@@H]2CC[N@H+](C[C@H](CC)OC)C2)CC1	ZINC001033686060	708500426	/nfs/dbraw/zinc/50/04/26/708500426.db2.gz	ZGNVQTGMYDFIHT-MSOLQXFVSA-N	1	3	335.492	1.289	20	30		EDEDHO
C#CCN1CCC(C(=O)NCC2CC[NH+](C[C@@H](F)CC)CC2)CC1	ZINC001002145983	708660020	/nfs/dbraw/zinc/66/00/20/708660020.db2.gz	VJANUKDDHYJALJ-SFHVURJKSA-N	1	3	337.483	1.908	20	30		EDEDHO
C#CCN1CCC(C(=O)N(CC)[C@H]2CC[N@@H+](C[C@@H](CC)OC)C2)CC1	ZINC001034044903	709296721	/nfs/dbraw/zinc/29/67/21/709296721.db2.gz	FVYHBTFVJKEYCO-RBUKOAKNSA-N	1	3	349.519	1.679	20	30		EDEDHO
C#CCN1CCC(C(=O)N(CC)[C@H]2CC[N@H+](C[C@@H](CC)OC)C2)CC1	ZINC001034044903	709296725	/nfs/dbraw/zinc/29/67/25/709296725.db2.gz	FVYHBTFVJKEYCO-RBUKOAKNSA-N	1	3	349.519	1.679	20	30		EDEDHO
C=C(C)C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CN3CC4CC3(C4)CO2)CC1	ZINC001034693819	710786322	/nfs/dbraw/zinc/78/63/22/710786322.db2.gz	HUKIXRPIMCTVIO-RVKOJVRFSA-N	1	3	333.476	1.443	20	30		EDEDHO
C[C@@H]([NH2+]CCCN1CCC[C@H](C(N)=O)C1)c1ccc(C#N)c(F)c1	ZINC000346216390	143179897	/nfs/dbraw/zinc/17/98/97/143179897.db2.gz	SURJWNIUHTYDAT-CJNGLKHVSA-N	1	3	332.423	1.935	20	30		EDEDHO
COC[C@H](CCC[NH3+])N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O	ZINC000423045911	269751072	/nfs/dbraw/zinc/75/10/72/269751072.db2.gz	SWEYTKIMLIUJGC-DOTOQJQBSA-N	1	3	330.432	1.397	20	30		EDEDHO
[NH2+]=C(NCCCN1CCC(O)CC1)N[C@H]1CCOc2ccccc21	ZINC000083031567	441348334	/nfs/dbraw/zinc/34/83/34/441348334.db2.gz	HLUCOBAESMIYSL-INIZCTEOSA-N	1	3	332.448	1.261	20	30		EDEDHO
COc1ccc(NC(=[NH2+])NCc2ccnc(OCCN(C)C)c2)cc1	ZINC000134550756	442494098	/nfs/dbraw/zinc/49/40/98/442494098.db2.gz	VLRSKEKMACBYRK-UHFFFAOYSA-N	1	3	343.431	1.957	20	30		EDEDHO
CCN1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(N2CCOC2=O)cc1	ZINC000272855690	443468781	/nfs/dbraw/zinc/46/87/81/443468781.db2.gz	RCPFOFYRLDJSLH-MRXNPFEDSA-N	1	3	345.447	1.532	20	30		EDEDHO
C#CCN(C)CCCNC(=O)N1CCC(OCCC[NH+](C)C)CC1	ZINC000491743901	448098154	/nfs/dbraw/zinc/09/81/54/448098154.db2.gz	LIOOFMOGBHEKDR-UHFFFAOYSA-N	1	3	338.496	1.084	20	30		EDEDHO
C=CC[C@@H](CO)CNC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1	ZINC000565726254	448377706	/nfs/dbraw/zinc/37/77/06/448377706.db2.gz	XNMDMJPLZWUHGR-MRXNPFEDSA-N	1	3	337.508	1.484	20	30		EDEDHO
Cc1ccc(CN2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)cc1C#N	ZINC000600710287	449509191	/nfs/dbraw/zinc/50/91/91/449509191.db2.gz	RBZLWZPNBIFWOK-IEBWSBKVSA-N	1	3	340.471	1.947	20	30		EDEDHO
C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)[C@@H](N)CCCCC#N)CC1	ZINC000594437026	449516715	/nfs/dbraw/zinc/51/67/15/449516715.db2.gz	SHXVGJYNNMGKBP-SJORKVTESA-N	1	3	335.496	1.026	20	30		EDEDHO
C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)[C@@H](N)CCCCC#N)CC1	ZINC000594437026	449516722	/nfs/dbraw/zinc/51/67/22/449516722.db2.gz	SHXVGJYNNMGKBP-SJORKVTESA-N	1	3	335.496	1.026	20	30		EDEDHO
C[C@H]1C[N@H+](CCCNC[C@@H](O)COc2ccccc2C#N)CCCO1	ZINC000600735420	449524602	/nfs/dbraw/zinc/52/46/02/449524602.db2.gz	SYQHSMNNONNGQV-FUHWJXTLSA-N	1	3	347.459	1.388	20	30		EDEDHO
C[C@H]1C[N@@H+](CCCNC[C@@H](O)COc2ccccc2C#N)CCCO1	ZINC000600735420	449524606	/nfs/dbraw/zinc/52/46/06/449524606.db2.gz	SYQHSMNNONNGQV-FUHWJXTLSA-N	1	3	347.459	1.388	20	30		EDEDHO
C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)[C@@H](N)CCCC#N	ZINC000602579738	449685870	/nfs/dbraw/zinc/68/58/70/449685870.db2.gz	BJUQIQFPVGSHJC-NJAFHUGGSA-N	1	3	328.460	1.892	20	30		EDEDHO
C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)[C@@H](N)CCCC#N	ZINC000602579738	449685878	/nfs/dbraw/zinc/68/58/78/449685878.db2.gz	BJUQIQFPVGSHJC-NJAFHUGGSA-N	1	3	328.460	1.892	20	30		EDEDHO
C#CCCN1CCC(NC(=O)c2ccccc2OCC[NH+](C)C)CC1	ZINC000740739102	579383617	/nfs/dbraw/zinc/38/36/17/579383617.db2.gz	VMARXMYBJXVQAH-UHFFFAOYSA-N	1	3	343.471	1.845	20	30		EDEDHO
C=CC[C@@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)c1ccncc1	ZINC000741088720	579397079	/nfs/dbraw/zinc/39/70/79/579397079.db2.gz	AXQBYZPFMONOPY-QGZVFWFLSA-N	1	3	333.480	1.834	20	30		EDEDHO
C#C[C@H]1CCCCN1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1	ZINC000892522200	591057630	/nfs/dbraw/zinc/05/76/30/591057630.db2.gz	SXVXIJKMHRTDFI-KRWDZBQOSA-N	1	3	332.492	1.742	20	30		EDEDHO
CN1CC[NH+]=C1NCCCCN1CCN(Cc2ccccc2)CC1	ZINC000849049095	595475380	/nfs/dbraw/zinc/47/53/80/595475380.db2.gz	DJRGMNVRGGEJFW-UHFFFAOYSA-N	1	3	329.492	1.475	20	30		EDEDHO
CN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)C#CC1CC[NH2+]CC1	ZINC000852868897	595588510	/nfs/dbraw/zinc/58/85/10/595588510.db2.gz	XLJGUWQDWIJKNO-HXUWFJFHSA-N	1	3	339.483	1.970	20	30		EDEDHO
CC#CCN1CC[C@H](NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C(C)(C)C1	ZINC000940901835	700976506	/nfs/dbraw/zinc/97/65/06/700976506.db2.gz	QXZIHSNPFLCLRM-ASPXRTSYSA-N	1	3	345.487	1.090	20	30		EDEDHO
CC#CCN1CC[C@H](NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C(C)(C)C1	ZINC000940901835	700976508	/nfs/dbraw/zinc/97/65/08/700976508.db2.gz	QXZIHSNPFLCLRM-ASPXRTSYSA-N	1	3	345.487	1.090	20	30		EDEDHO
C#CCN1CCC(C(=O)NCC2C[NH+](CCC[C@H]3CCOC3)C2)CC1	ZINC001032205544	702019485	/nfs/dbraw/zinc/01/94/85/702019485.db2.gz	AMBLRPXLEOBPJA-KRWDZBQOSA-N	1	3	347.503	1.196	20	30		EDEDHO
C=CC[N@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2CN3CC4CC3(C4)CO2)CC1	ZINC000998067924	705281262	/nfs/dbraw/zinc/28/12/62/705281262.db2.gz	WWFAZWWUZRVEGF-NNVNDSJASA-N	1	3	347.503	1.739	20	30		EDEDHO
C=CC[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2CN3CC4CC3(C4)CO2)CC1	ZINC000998067924	705281263	/nfs/dbraw/zinc/28/12/63/705281263.db2.gz	WWFAZWWUZRVEGF-NNVNDSJASA-N	1	3	347.503	1.739	20	30		EDEDHO
C=C(Cl)CN[C@H]1CCCN(C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1	ZINC000999764462	707318673	/nfs/dbraw/zinc/31/86/73/707318673.db2.gz	KMNLTMDLNHEYHO-GWUWNPHMSA-N	1	3	339.867	1.183	20	30		EDEDHO
C=C(Cl)CN[C@H]1CCCN(C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1	ZINC000999764462	707318679	/nfs/dbraw/zinc/31/86/79/707318679.db2.gz	KMNLTMDLNHEYHO-GWUWNPHMSA-N	1	3	339.867	1.183	20	30		EDEDHO
C=CCC[N@H+]1CC[C@H](N(CC)C(=O)[C@H]2CN3CC4CC3(C4)CO2)C1	ZINC001033905905	709033817	/nfs/dbraw/zinc/03/38/17/709033817.db2.gz	MTYKWCGZGURTCF-DHADLLTHSA-N	1	3	333.476	1.349	20	30		EDEDHO
C=CCC[N@@H+]1CC[C@H](N(CC)C(=O)[C@H]2CN3CC4CC3(C4)CO2)C1	ZINC001033905905	709033821	/nfs/dbraw/zinc/03/38/21/709033821.db2.gz	MTYKWCGZGURTCF-DHADLLTHSA-N	1	3	333.476	1.349	20	30		EDEDHO
C#CCN1CCC(C(=O)N[C@@H]2CCCC[N@@H+](C[C@@H](CC)OC)C2)CC1	ZINC001034538556	710211559	/nfs/dbraw/zinc/21/15/59/710211559.db2.gz	PIVUHGHCEJRDKW-RTBURBONSA-N	1	3	349.519	1.727	20	30		EDEDHO
C#CCN1CCC(C(=O)N[C@@H]2CCCC[N@H+](C[C@@H](CC)OC)C2)CC1	ZINC001034538556	710211562	/nfs/dbraw/zinc/21/15/62/710211562.db2.gz	PIVUHGHCEJRDKW-RTBURBONSA-N	1	3	349.519	1.727	20	30		EDEDHO
CC(C#N)C(=O)N1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1	ZINC000346125531	250041050	/nfs/dbraw/zinc/04/10/50/250041050.db2.gz	GTRFLYYWTXGOLJ-OAHLLOKOSA-N	1	3	334.464	1.377	20	30		EDEDHO
CC[C@@H](CNC(=O)[C@@H]([NH3+])CCCC#N)N1CCc2ccccc2C1	ZINC000424132923	252135428	/nfs/dbraw/zinc/13/54/28/252135428.db2.gz	LHERRYCZBKMTEZ-ROUUACIJSA-N	1	3	328.460	1.961	20	30		EDEDHO
C[C@@H]1C[N@H+](C[C@@H](O)c2ccc(C#N)cc2)CC[C@H]1N1CCN(C)CC1	ZINC000360694593	152156717	/nfs/dbraw/zinc/15/67/17/152156717.db2.gz	YNEXCEXVFFYNNO-NSISKUIASA-N	1	3	342.487	1.549	20	30		EDEDHO
C[C@@H]1C[N@@H+](C[C@@H](O)c2ccc(C#N)cc2)CC[C@H]1N1CCN(C)CC1	ZINC000360694593	152156718	/nfs/dbraw/zinc/15/67/18/152156718.db2.gz	YNEXCEXVFFYNNO-NSISKUIASA-N	1	3	342.487	1.549	20	30		EDEDHO
C[C@H]1C[N@H+](CCOc2ccc(C#N)cc2)CC[C@@H]1N1CCN(C)CC1	ZINC000372329090	156336614	/nfs/dbraw/zinc/33/66/14/156336614.db2.gz	AQMRKNCKJVUECD-PXNSSMCTSA-N	1	3	342.487	1.895	20	30		EDEDHO
C[C@H]1C[N@@H+](CCOc2ccc(C#N)cc2)CC[C@@H]1N1CCN(C)CC1	ZINC000372329090	156336618	/nfs/dbraw/zinc/33/66/18/156336618.db2.gz	AQMRKNCKJVUECD-PXNSSMCTSA-N	1	3	342.487	1.895	20	30		EDEDHO
N#Cc1ccc2c(c1)[C@H](NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)CC2	ZINC000423380951	270012289	/nfs/dbraw/zinc/01/22/89/270012289.db2.gz	FCARJHOSTMQURA-HZPDHXFCSA-N	1	3	338.377	1.971	20	30		EDEDHO
C#CCN1CCC(C(=O)Nc2ccnn2C2CC[NH+](CC)CC2)CC1	ZINC000066662678	441558828	/nfs/dbraw/zinc/55/88/28/441558828.db2.gz	LGBVKJGHWKBMAZ-UHFFFAOYSA-N	1	3	343.475	1.824	20	30		EDEDHO
COc1ccc(NC(=[NH2+])NCCCN2CCC(O)CC2)cc1OC	ZINC000264136829	443252704	/nfs/dbraw/zinc/25/27/04/443252704.db2.gz	ZZHVSTWCYKAEFC-UHFFFAOYSA-N	1	3	336.436	1.277	20	30		EDEDHO
C=CCN(CC=C)C(=O)[C@H](C)N(C)CC1CC[NH+](C[C@@H](C)O)CC1	ZINC000264272343	443257309	/nfs/dbraw/zinc/25/73/09/443257309.db2.gz	ACALAKFQWZNRDC-SJORKVTESA-N	1	3	337.508	1.600	20	30		EDEDHO
C=CCN(CC=C)[C@@H](CNC(=O)c1cc([C@@H]2CC[NH2+]C2)n[nH]1)C(C)C	ZINC000279065768	443508038	/nfs/dbraw/zinc/50/80/38/443508038.db2.gz	SVJYMARQBJCGBU-QAPCUYQASA-N	1	3	345.491	1.915	20	30		EDEDHO
C[C@@H](N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)c1ccc(C#N)cc1F	ZINC000423455716	446544295	/nfs/dbraw/zinc/54/42/95/446544295.db2.gz	NBDZFGKOITZBLB-LLSQANQASA-N	1	3	344.434	1.995	20	30		EDEDHO
CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CC[C@H](C[NH3+])C1	ZINC000418785114	446701216	/nfs/dbraw/zinc/70/12/16/446701216.db2.gz	HNHLCDBZISYRML-ZWKOTPCHSA-N	1	3	343.475	1.759	20	30		EDEDHO
C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)N[C@@H]1CC[C@@H](C#N)C1	ZINC000442823495	446981742	/nfs/dbraw/zinc/98/17/42/446981742.db2.gz	DGEYUAXZXZYDFX-KURKYZTESA-N	1	3	328.460	1.557	20	30		EDEDHO
C#CCNC(=O)CCN1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1	ZINC000491209910	447958665	/nfs/dbraw/zinc/95/86/65/447958665.db2.gz	NNOLXAMRMYJXGM-FQEVSTJZSA-N	1	3	325.456	1.724	20	30		EDEDHO
C#CCNC(=O)CCN1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1	ZINC000491209910	447958668	/nfs/dbraw/zinc/95/86/68/447958668.db2.gz	NNOLXAMRMYJXGM-FQEVSTJZSA-N	1	3	325.456	1.724	20	30		EDEDHO
C=CC[NH+]1CCC(NC(=O)Nc2ccc3c(c2)CNCCO3)CC1	ZINC000516855672	448481994	/nfs/dbraw/zinc/48/19/94/448481994.db2.gz	KADSAALACIUERA-UHFFFAOYSA-N	1	3	330.432	1.941	20	30		EDEDHO
CC(C)[C@@H]1N(C)C[C@]12C[C@@H](O)[C@H]([NH2+]C[C@@H](O)c1ccc(C#N)cc1)C2	ZINC000905500306	592545664	/nfs/dbraw/zinc/54/56/64/592545664.db2.gz	ABHYFRVTOIQUAE-UEDWAMCQSA-N	1	3	343.471	1.661	20	30		EDEDHO
CCN1C[C@]2(C[C@@H](O)[C@H]([NH2+]C[C@H](O)CC(C)(C)C#N)C2)[C@H]1C(C)C	ZINC000905502482	592546349	/nfs/dbraw/zinc/54/63/49/592546349.db2.gz	KBQBBEWLDRRZPI-VDCDIQELSA-N	1	3	337.508	1.747	20	30		EDEDHO
C=C(CC[NH+](C)C)C(=O)NCC1(O)CCN(Cc2ccccc2)CC1	ZINC000910462772	592867259	/nfs/dbraw/zinc/86/72/59/592867259.db2.gz	BLYCOXCDXINKQG-UHFFFAOYSA-N	1	3	345.487	1.638	20	30		EDEDHO
N#CCCC[C@@H](N)C(=O)Nc1cccc(C(=O)OC[C@@H]2CCC[NH2+]2)c1	ZINC000818539851	593704076	/nfs/dbraw/zinc/70/40/76/593704076.db2.gz	VXARCWCIHYENIU-JKSUJKDBSA-N	1	3	344.415	1.555	20	30		EDEDHO
CN(CCC#N)C[C@H](O)CNC[C@]1(C)CC[N@H+](Cc2ccccc2)C1	ZINC000819282863	593748357	/nfs/dbraw/zinc/74/83/57/593748357.db2.gz	CJJZTFWHXUQICV-UXHICEINSA-N	1	3	344.503	1.695	20	30		EDEDHO
CN(CCC#N)C[C@H](O)CNC[C@]1(C)CC[N@@H+](Cc2ccccc2)C1	ZINC000819282863	593748358	/nfs/dbraw/zinc/74/83/58/593748358.db2.gz	CJJZTFWHXUQICV-UXHICEINSA-N	1	3	344.503	1.695	20	30		EDEDHO
O=C(C#CC1CC[NH2+]CC1)NC[C@H](c1ccccc1)N1CCCC1	ZINC000852854403	595577273	/nfs/dbraw/zinc/57/72/73/595577273.db2.gz	HJNOXAHVEUXFND-LJQANCHMSA-N	1	3	325.456	1.943	20	30		EDEDHO
N#C[C@H]1CNCC12CC(C(=O)N1CCC([NH+]3CCCCC3)CC1)C2	ZINC000884185049	598017925	/nfs/dbraw/zinc/01/79/25/598017925.db2.gz	IWMVQJFZCMCMLI-WUJZJPHMSA-N	1	3	330.476	1.603	20	30		EDEDHO
COc1ccc(CN(C)C)cc1NC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N	ZINC000884193848	598022632	/nfs/dbraw/zinc/02/26/32/598022632.db2.gz	QZBCVMKNUVTXBO-HVEKOLDVSA-N	1	3	342.443	1.835	20	30		EDEDHO
N#C[C@@H]1CNCC12CC(C(=O)NCCCCC[NH+]1CCCCC1)C2	ZINC000884218902	598032685	/nfs/dbraw/zinc/03/26/85/598032685.db2.gz	BTWUGCYXFRQROO-TVRKMHQQSA-N	1	3	332.492	1.898	20	30		EDEDHO
CC1([NH2+]Cc2cccc(C#N)c2)CCN(C(=O)Cc2c[nH]cn2)CC1	ZINC000940353797	700537606	/nfs/dbraw/zinc/53/76/06/700537606.db2.gz	REZATDCWFKKHSN-UHFFFAOYSA-N	1	3	337.427	1.995	20	30		EDEDHO
C=C(C)CCN1CC(N2CCN(C(=O)[C@H]3CCC[N@H+]3C(C)C)CC2)C1	ZINC000941404389	701518985	/nfs/dbraw/zinc/51/89/85/701518985.db2.gz	DBTMHUVEWSRXCT-LJQANCHMSA-N	1	3	348.535	1.654	20	30		EDEDHO
C=C(C)CCN1CC(N2CCN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)CC2)C1	ZINC000941404389	701518987	/nfs/dbraw/zinc/51/89/87/701518987.db2.gz	DBTMHUVEWSRXCT-LJQANCHMSA-N	1	3	348.535	1.654	20	30		EDEDHO
C[C@@H]1[C@H](C(=O)N2CCC(NCc3ccccc3C#N)CC2)CC[N@@H+]1C	ZINC000996609860	702920771	/nfs/dbraw/zinc/92/07/71/702920771.db2.gz	XAJAFLUVXZMWEM-DNVCBOLYSA-N	1	3	340.471	1.979	20	30		EDEDHO
C[C@@H]1[C@H](C(=O)N2CCC(NCc3ccccc3C#N)CC2)CC[N@H+]1C	ZINC000996609860	702920773	/nfs/dbraw/zinc/92/07/73/702920773.db2.gz	XAJAFLUVXZMWEM-DNVCBOLYSA-N	1	3	340.471	1.979	20	30		EDEDHO
C#CCN1CCC(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)CC1	ZINC001001872279	708381129	/nfs/dbraw/zinc/38/11/29/708381129.db2.gz	WHDOSYGVIMFMNK-UXHICEINSA-N	1	3	339.483	1.793	20	30		EDEDHO
C#CCN1CCC(CNC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)CC1	ZINC001001872279	708381132	/nfs/dbraw/zinc/38/11/32/708381132.db2.gz	WHDOSYGVIMFMNK-UXHICEINSA-N	1	3	339.483	1.793	20	30		EDEDHO
C=CCN1CCCC[C@@H](NC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1	ZINC001034210508	709560964	/nfs/dbraw/zinc/56/09/64/709560964.db2.gz	PIEJKSBZCKBMCD-QRVBRYPASA-N	1	3	349.519	1.890	20	30		EDEDHO
C#CCCN1CC[C@@H](N(C)C(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)C1	ZINC001033139635	711936062	/nfs/dbraw/zinc/93/60/62/711936062.db2.gz	HLJFKGDRDPWPEH-MSOLQXFVSA-N	1	3	333.476	1.186	20	30		EDEDHO
C#CCCN1CC[C@@H](N(C)C(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C1	ZINC001033139635	711936063	/nfs/dbraw/zinc/93/60/63/711936063.db2.gz	HLJFKGDRDPWPEH-MSOLQXFVSA-N	1	3	333.476	1.186	20	30		EDEDHO
COc1ccc(CCNC(=[NH2+])NCCN2CCC[C@@H](C)C2)cc1OC	ZINC000264070302	249330342	/nfs/dbraw/zinc/33/03/42/249330342.db2.gz	DBNCNDMBARXYJR-OAHLLOKOSA-N	1	3	348.491	1.883	20	30		EDEDHO
C[C@H](N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)c1ccc(C#N)cc1	ZINC000423448017	270012474	/nfs/dbraw/zinc/01/24/74/270012474.db2.gz	DMJLDRWYLBPCGE-IRWQIABSSA-N	1	3	326.444	1.856	20	30		EDEDHO
CN1CCC([C@H]2CC[N@H+](C[C@@H]3CNc4c(C#N)cnn4C3)C2)CC1	ZINC000518188172	267333767	/nfs/dbraw/zinc/33/37/67/267333767.db2.gz	ZPZFEBIXWGXPHM-HOCLYGCPSA-N	1	3	328.464	1.460	20	30		EDEDHO
CN1CCC([C@H]2CC[N@@H+](C[C@@H]3CNc4c(C#N)cnn4C3)C2)CC1	ZINC000518188172	267333769	/nfs/dbraw/zinc/33/37/69/267333769.db2.gz	ZPZFEBIXWGXPHM-HOCLYGCPSA-N	1	3	328.464	1.460	20	30		EDEDHO
C#CCN1CCC(C(=O)N(CC[NH+](C)C)Cc2ccccc2)CC1	ZINC000068310721	441772121	/nfs/dbraw/zinc/77/21/21/441772121.db2.gz	SKSVUXUGGDJRSJ-UHFFFAOYSA-N	1	3	327.472	1.922	20	30		EDEDHO
C#CC[N@@H+](C)CCCNC(=O)N[C@@H](CN(C)C)c1ccc(OC)cc1	ZINC000297596857	444306514	/nfs/dbraw/zinc/30/65/14/444306514.db2.gz	VNTCWTCRKQNZDT-SFHVURJKSA-N	1	3	346.475	1.552	20	30		EDEDHO
C#CC[N@H+](C)CCCNC(=O)N[C@@H](CN(C)C)c1ccc(OC)cc1	ZINC000297596857	444306517	/nfs/dbraw/zinc/30/65/17/444306517.db2.gz	VNTCWTCRKQNZDT-SFHVURJKSA-N	1	3	346.475	1.552	20	30		EDEDHO
CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@]1(CO)C[C@@H]1c1ccccc1	ZINC000290614899	444301598	/nfs/dbraw/zinc/30/15/98/444301598.db2.gz	JUMPARKHAZFMPV-LMMKCTJWSA-N	1	3	330.476	1.541	20	30		EDEDHO
N#Cc1cccc(CN2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)c1	ZINC000325808325	444369639	/nfs/dbraw/zinc/36/96/39/444369639.db2.gz	OWSBAAKBNPENLZ-ZWKOTPCHSA-N	1	3	326.444	1.638	20	30		EDEDHO
C=CCN1CCC(NC(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)CC1	ZINC000369669436	446144671	/nfs/dbraw/zinc/14/46/71/446144671.db2.gz	ACQVOVWMMQFUHD-UHFFFAOYSA-N	1	3	346.479	1.922	20	30		EDEDHO
C=C(C)C[NH+]1CCC(Nc2nc(NCC)nc(NC(C)(C)C)n2)CC1	ZINC000553407928	447990137	/nfs/dbraw/zinc/99/01/37/447990137.db2.gz	FOMASVGJCNWXMO-UHFFFAOYSA-N	1	3	347.511	1.810	20	30		EDEDHO
C=C(C)CN1CCC(NC(=O)N2CCC([NH2+]CCOC)CC2)CC1	ZINC000519757295	448835372	/nfs/dbraw/zinc/83/53/72/448835372.db2.gz	DCAXWSMOVINBMN-UHFFFAOYSA-N	1	3	338.496	1.437	20	30		EDEDHO
C[C@H](Cc1ccc(C#N)cc1)C(=O)N(CCN(C)C)CC[NH+](C)C	ZINC000594284282	449430461	/nfs/dbraw/zinc/43/04/61/449430461.db2.gz	UKNKLPAKQSAOMZ-MRXNPFEDSA-N	1	3	330.476	1.689	20	30		EDEDHO
CC[NH+]1CCC(N2CCC(C(=O)N3CC[C@](F)(C#N)C3)CC2)CC1	ZINC000594342192	449458925	/nfs/dbraw/zinc/45/89/25/449458925.db2.gz	BTUKTPLWEFLONP-SFHVURJKSA-N	1	3	336.455	1.647	20	30		EDEDHO
CN1CCN(Cc2ccc(NC(=O)[C@H]([NH3+])CCCCC#N)cc2)CC1	ZINC000594439076	449518524	/nfs/dbraw/zinc/51/85/24/449518524.db2.gz	NNWVIDOUURJZIP-GOSISDBHSA-N	1	3	343.475	1.784	20	30		EDEDHO
C[NH+](C)C[C@@]1(O)CCCN(C(=O)C(C#N)CCc2ccccc2)C1	ZINC000597574296	450118528	/nfs/dbraw/zinc/11/85/28/450118528.db2.gz	OXXZSSFDMJXNGM-HKUYNNGSSA-N	1	3	329.444	1.674	20	30		EDEDHO
CCN1CCC[C@H]1CNC(=[NH2+])NC[C@@H](C)N1CCc2sccc2C1	ZINC000104173576	529101616	/nfs/dbraw/zinc/10/16/16/529101616.db2.gz	UBSLUSVYDSFKEK-ZBFHGGJFSA-N	1	3	349.548	1.883	20	30		EDEDHO
C=CCN(CC=C)[C@H](CNC(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1)C(C)C	ZINC000891940641	590698742	/nfs/dbraw/zinc/69/87/42/590698742.db2.gz	QXPOLUGJUYQMAQ-FGTMMUONSA-N	1	3	334.508	1.888	20	30		EDEDHO
C=CCN(CC=C)[C@H](CNC(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1)C(C)C	ZINC000891940641	590698745	/nfs/dbraw/zinc/69/87/45/590698745.db2.gz	QXPOLUGJUYQMAQ-FGTMMUONSA-N	1	3	334.508	1.888	20	30		EDEDHO
CC(C)(C[NH3+])C1CCN(C[C@H](O)COc2ccc(C#N)cc2)CC1	ZINC000903790818	592316268	/nfs/dbraw/zinc/31/62/68/592316268.db2.gz	BXPPJPAEZFHJOD-KRWDZBQOSA-N	1	3	331.460	1.995	20	30		EDEDHO
N#Cc1ccc([C@@H](O)CNC2CC[NH+](C[C@@H]3CCCO3)CC2)cc1	ZINC000819063188	593736797	/nfs/dbraw/zinc/73/67/97/593736797.db2.gz	WWKJUBZQKQZELT-OALUTQOASA-N	1	3	329.444	1.825	20	30		EDEDHO
C#CC[N@@H+](C)CCCNC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1	ZINC000836240704	594941907	/nfs/dbraw/zinc/94/19/07/594941907.db2.gz	CEIDKHKQJPBOIE-LJQANCHMSA-N	1	3	342.487	1.905	20	30		EDEDHO
C=CCNC(=O)CNC(=[NH2+])NC1CCN(Cc2ccccc2)CC1	ZINC000849076974	595478697	/nfs/dbraw/zinc/47/86/97/595478697.db2.gz	CCNSETVOUMDJAF-UHFFFAOYSA-N	1	3	329.448	1.067	20	30		EDEDHO
C[C@@H]1C[C@H](NC(=O)C#CC2CC[NH2+]CC2)CN1Cc1ccccc1	ZINC000852869566	595589384	/nfs/dbraw/zinc/58/93/84/595589384.db2.gz	HLTBRYAGTQFHRW-APWZRJJASA-N	1	3	325.456	1.769	20	30		EDEDHO
C=C(Cl)C[C@H](N)C(=O)NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1	ZINC000876961719	597398236	/nfs/dbraw/zinc/39/82/36/597398236.db2.gz	WJLLAPQWHMFTLZ-CVEARBPZSA-N	1	3	337.851	1.339	20	30		EDEDHO
C=C(Cl)C[C@H](N)C(=O)NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1	ZINC000876961719	597398237	/nfs/dbraw/zinc/39/82/37/597398237.db2.gz	WJLLAPQWHMFTLZ-CVEARBPZSA-N	1	3	337.851	1.339	20	30		EDEDHO
C=C(C)CCN1CC(N2CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC2)C1	ZINC000941554020	701578716	/nfs/dbraw/zinc/57/87/16/701578716.db2.gz	VXWDGDLVGYUEDI-GOSISDBHSA-N	1	3	336.524	1.367	20	30		EDEDHO
CC1([NH2+]Cc2ccc(C#N)cc2)CCN(C(=O)Cc2c[nH]cn2)CC1	ZINC000940355801	700517406	/nfs/dbraw/zinc/51/74/06/700517406.db2.gz	ASYMZUFMBBBLHN-UHFFFAOYSA-N	1	3	337.427	1.995	20	30		EDEDHO
C#CCCN1CCCC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)C1	ZINC001034241245	709626839	/nfs/dbraw/zinc/62/68/39/709626839.db2.gz	PPQYWWRERCOQAK-IEBWSBKVSA-N	1	3	347.503	1.624	20	30		EDEDHO
C#CCCN1CCCC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C1	ZINC001034241245	709626840	/nfs/dbraw/zinc/62/68/40/709626840.db2.gz	PPQYWWRERCOQAK-IEBWSBKVSA-N	1	3	347.503	1.624	20	30		EDEDHO
C#CCC[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CCCN2C2CCOCC2)C1	ZINC001034241245	709626841	/nfs/dbraw/zinc/62/68/41/709626841.db2.gz	PPQYWWRERCOQAK-IEBWSBKVSA-N	1	3	347.503	1.624	20	30		EDEDHO
C#CCC[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CCCN2C2CCOCC2)C1	ZINC001034241245	709626842	/nfs/dbraw/zinc/62/68/42/709626842.db2.gz	PPQYWWRERCOQAK-IEBWSBKVSA-N	1	3	347.503	1.624	20	30		EDEDHO
C#CCN1CCC(C(=O)NCC2([NH+](C)C)Cc3ccccc3C2)CC1	ZINC000265934982	201217777	/nfs/dbraw/zinc/21/77/77/201217777.db2.gz	QWRLKCWOICWVON-UHFFFAOYSA-N	1	3	339.483	1.547	20	30		EDEDHO
CN(C)CCN1CCC([NH2+][C@@H]2CCC[C@@H]3O[C@@H](CC#N)C[C@@H]32)CC1	ZINC000373227337	250235184	/nfs/dbraw/zinc/23/51/84/250235184.db2.gz	JGTBYLHSUMSRGT-MANSERQUSA-N	1	3	334.508	1.842	20	30		EDEDHO
COC1CC[NH+](C2(CNC(=O)[C@@H](N)CCCC#N)CCCC2)CC1	ZINC000424143419	252141361	/nfs/dbraw/zinc/14/13/61/252141361.db2.gz	JNLDUJSGHKJGTP-INIZCTEOSA-N	1	3	336.480	1.547	20	30		EDEDHO
CN1CCN(CCCC[NH2+]Cc2cnc3ccc(C#N)cn23)CC1	ZINC000123286099	287386740	/nfs/dbraw/zinc/38/67/40/287386740.db2.gz	XWHNAWJCCKLKQZ-UHFFFAOYSA-N	1	3	326.448	1.323	20	30		EDEDHO
C=CC[N@@H+](Cc1ccc(OC)cc1)C[C@@H]1CCCN(C(=O)CN)C1	ZINC000414686174	447318282	/nfs/dbraw/zinc/31/82/82/447318282.db2.gz	FNPBUXMJYPQNIL-KRWDZBQOSA-N	1	3	331.460	1.881	20	30		EDEDHO
C=CC[N@H+](Cc1ccc(OC)cc1)C[C@@H]1CCCN(C(=O)CN)C1	ZINC000414686174	447318288	/nfs/dbraw/zinc/31/82/88/447318288.db2.gz	FNPBUXMJYPQNIL-KRWDZBQOSA-N	1	3	331.460	1.881	20	30		EDEDHO
CCN1CCC[C@H]1CNC(=[NH2+])NC[C@](C)(O)c1ccccc1Cl	ZINC000154568128	442345849	/nfs/dbraw/zinc/34/58/49/442345849.db2.gz	NVTTVVRRTXMXJC-GUYCJALGSA-N	1	3	338.883	1.936	20	30		EDEDHO
C[NH+]=C(NCc1ccc(C(N)=O)o1)N1CC[C@H](N2CCCCC2)C1	ZINC000262340883	443191356	/nfs/dbraw/zinc/19/13/56/443191356.db2.gz	COYZAFWDHPXKSU-ZDUSSCGKSA-N	1	3	333.436	1.014	20	30		EDEDHO
CCN1CCC[C@H]1CNC(=[NH2+])NCc1ccccc1Cn1ccnc1	ZINC000264055253	443247445	/nfs/dbraw/zinc/24/74/45/443247445.db2.gz	APBDEAFTGPANNI-SFHVURJKSA-N	1	3	340.475	1.820	20	30		EDEDHO
C[NH+]1CCC(N2CCC(NC(=O)c3ccc(F)c(C#N)c3)CC2)CC1	ZINC000285924108	444153612	/nfs/dbraw/zinc/15/36/12/444153612.db2.gz	IEHXRKDXBMPKII-UHFFFAOYSA-N	1	3	344.434	1.986	20	30		EDEDHO
C[C@@H]1C[C@@H](NC(=O)NCC2([NH+]3CCCC3)CCOCC2)CCN1C	ZINC000329748587	444699858	/nfs/dbraw/zinc/69/98/58/444699858.db2.gz	FMZCVSMFIZHUII-CVEARBPZSA-N	1	3	338.496	1.618	20	30		EDEDHO
CN(C)CCN(CC[NH+](C)C)C(=O)CSCc1ccc(C#N)cc1	ZINC000530641461	447931895	/nfs/dbraw/zinc/93/18/95/447931895.db2.gz	DZFZNHHOOVVDNE-UHFFFAOYSA-N	1	3	348.516	1.743	20	30		EDEDHO
N#CC1(C[C@@H](O)C[NH2+]Cc2ccccc2CN2CC[C@H](O)C2)CC1	ZINC000600733631	449523226	/nfs/dbraw/zinc/52/32/26/449523226.db2.gz	FGLJICJNPWRLIP-ZWKOTPCHSA-N	1	3	329.444	1.398	20	30		EDEDHO
C=CC[NH+](CC=C)[C@@H](CNC(=O)N1C[C@H](O)[C@@H](N(C)C)C1)C(C)C	ZINC000663667938	452406023	/nfs/dbraw/zinc/40/60/23/452406023.db2.gz	JGTHVGVBUPJZDK-ULQDDVLXSA-N	1	3	338.496	1.001	20	30		EDEDHO
C=CC[C@@]1(C(=O)NCCc2ccc(OCCN(C)C)cc2)CCC[NH2+]1	ZINC000662716562	453440354	/nfs/dbraw/zinc/44/03/54/453440354.db2.gz	DNNVIUYVANEVLN-FQEVSTJZSA-N	1	3	345.487	1.984	20	30		EDEDHO
CN(C)CCN(CC[NH+](C)C)C(=O)Cc1ccc(OCC#N)cc1	ZINC000732074722	578689772	/nfs/dbraw/zinc/68/97/72/578689772.db2.gz	RSSCKRCJVNZYSF-UHFFFAOYSA-N	1	3	332.448	1.083	20	30		EDEDHO
C=CCN1CCC(NC(=O)N2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)CC1	ZINC000891521910	591105792	/nfs/dbraw/zinc/10/57/92/591105792.db2.gz	MMLQBBIVRQDXCD-YPMHNXCESA-N	1	3	334.386	1.415	20	30		EDEDHO
C=CCN1CCC(NC(=O)NCC[C@H]([NH3+])Cc2ccccc2)CC1	ZINC000891522687	591105809	/nfs/dbraw/zinc/10/58/09/591105809.db2.gz	URLKYGZCJPKEPI-KRWDZBQOSA-N	1	3	330.476	1.896	20	30		EDEDHO
Cc1cc(NC(=O)C#CC2CC[NH2+]CC2)n(C2CCN(C)CC2)n1	ZINC000852869502	595589480	/nfs/dbraw/zinc/58/94/80/595589480.db2.gz	BOUQWGQWNNVWBS-UHFFFAOYSA-N	1	3	329.448	1.400	20	30		EDEDHO
CN1CCN(C2CC[NH+](CCOc3cccc(C#N)c3)CC2)CC1	ZINC000879592537	597649141	/nfs/dbraw/zinc/64/91/41/597649141.db2.gz	KKXQYXUAOOFKSL-UHFFFAOYSA-N	1	3	328.460	1.649	20	30		EDEDHO
C=C(C)C[C@@H](CO)NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1	ZINC000883249004	597693936	/nfs/dbraw/zinc/69/39/36/597693936.db2.gz	PCKKQUAIEKTGEX-INIZCTEOSA-N	1	3	338.496	1.171	20	30		EDEDHO
N#C[C@H]1CNCC12CC(C(=O)N1CCC([C@H]3CCC[NH2+]C3)CC1)C2	ZINC000884394573	598091997	/nfs/dbraw/zinc/09/19/97/598091997.db2.gz	IYDLFLWUYCLYMV-WPZCVXBKSA-N	1	3	330.476	1.364	20	30		EDEDHO
C#CCN(C(=O)NC1CC[NH+](C(C)(C)C)CC1)C1CCN(C)CC1	ZINC000914275114	695329765	/nfs/dbraw/zinc/32/97/65/695329765.db2.gz	HPSHZBRLWQBZMI-UHFFFAOYSA-N	1	3	334.508	1.988	20	30		EDEDHO
C=CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CN3CC4CC3(C4)CO2)C(C)(C)C1	ZINC000940908388	700980285	/nfs/dbraw/zinc/98/02/85/700980285.db2.gz	JJVFTGGYVKBNEQ-YJTLQXIOSA-N	1	3	333.476	1.252	20	30		EDEDHO
C=CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CN3CC4CC3(C4)CO2)C(C)(C)C1	ZINC000940908388	700980286	/nfs/dbraw/zinc/98/02/86/700980286.db2.gz	JJVFTGGYVKBNEQ-YJTLQXIOSA-N	1	3	333.476	1.252	20	30		EDEDHO
C=CCN1CCCC[C@H](NC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1	ZINC001034210507	709560610	/nfs/dbraw/zinc/56/06/10/709560610.db2.gz	PIEJKSBZCKBMCD-OTWHNJEPSA-N	1	3	349.519	1.890	20	30		EDEDHO
C=C(C)CC[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1	ZINC001034321128	709771107	/nfs/dbraw/zinc/77/11/07/709771107.db2.gz	RRPLUKLMQFJMPS-NNVNDSJASA-N	1	3	347.503	1.787	20	30		EDEDHO
C=C(C)CC[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1	ZINC001034321128	709771109	/nfs/dbraw/zinc/77/11/09/709771109.db2.gz	RRPLUKLMQFJMPS-NNVNDSJASA-N	1	3	347.503	1.787	20	30		EDEDHO
C#CCN1CCC(C(=O)N[C@@H]2CCCC[N@@H+](C[C@H](C)OC)C2)CC1	ZINC001034538358	710211053	/nfs/dbraw/zinc/21/10/53/710211053.db2.gz	MTOAJIDLHGGYCU-FUHWJXTLSA-N	1	3	335.492	1.337	20	30		EDEDHO
C#CCN1CCC(C(=O)N[C@@H]2CCCC[N@H+](C[C@H](C)OC)C2)CC1	ZINC001034538358	710211056	/nfs/dbraw/zinc/21/10/56/710211056.db2.gz	MTOAJIDLHGGYCU-FUHWJXTLSA-N	1	3	335.492	1.337	20	30		EDEDHO
C#CCN1CCC(C(=O)N[C@H]2CCCC[N@@H+]([C@@H](C)COC)C2)CC1	ZINC001034539183	710212679	/nfs/dbraw/zinc/21/26/79/710212679.db2.gz	WSJAVYUGGUNWGV-WMZOPIPTSA-N	1	3	335.492	1.337	20	30		EDEDHO
C#CCN1CCC(C(=O)N[C@H]2CCCC[N@H+]([C@@H](C)COC)C2)CC1	ZINC001034539183	710212682	/nfs/dbraw/zinc/21/26/82/710212682.db2.gz	WSJAVYUGGUNWGV-WMZOPIPTSA-N	1	3	335.492	1.337	20	30		EDEDHO
C#CCN1CCC(C(=O)N[C@@H]2CCCC[N@@H+]([C@@H](C)COC)C2)CC1	ZINC001034539181	710213054	/nfs/dbraw/zinc/21/30/54/710213054.db2.gz	WSJAVYUGGUNWGV-FUHWJXTLSA-N	1	3	335.492	1.337	20	30		EDEDHO
C#CCN1CCC(C(=O)N[C@@H]2CCCC[N@H+]([C@@H](C)COC)C2)CC1	ZINC001034539181	710213056	/nfs/dbraw/zinc/21/30/56/710213056.db2.gz	WSJAVYUGGUNWGV-FUHWJXTLSA-N	1	3	335.492	1.337	20	30		EDEDHO
CN1CCC(C[NH2+]Cc2ccc(C#N)s2)(N2CCOCC2)CC1	ZINC000556894471	306221102	/nfs/dbraw/zinc/22/11/02/306221102.db2.gz	PFAVIIPYRSCMHV-UHFFFAOYSA-N	1	3	334.489	1.506	20	30		EDEDHO
CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@@](C)(O)c1ccc(F)cc1F	ZINC000267473268	443469651	/nfs/dbraw/zinc/46/96/51/443469651.db2.gz	YOXNMHSTSWAPCV-CXAGYDPISA-N	1	3	340.418	1.561	20	30		EDEDHO
C[C@@H]1OCC[C@@]1(C)NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1	ZINC000329559603	444629564	/nfs/dbraw/zinc/62/95/64/444629564.db2.gz	LYZVYKNIDALGJT-KBXCAEBGSA-N	1	3	338.496	1.616	20	30		EDEDHO
C[C@H](CNC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)CN1CCN(C)CC1	ZINC000329778879	444714002	/nfs/dbraw/zinc/71/40/02/444714002.db2.gz	QMBHXONWCUFAII-ZACQAIPSSA-N	1	3	337.512	1.000	20	30		EDEDHO
C[C@H](CNC(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12)CN1CCN(C)CC1	ZINC000329778879	444714005	/nfs/dbraw/zinc/71/40/05/444714005.db2.gz	QMBHXONWCUFAII-ZACQAIPSSA-N	1	3	337.512	1.000	20	30		EDEDHO
C[C@H]1CN(C[C@@H](O)c2ccc(C#N)cc2)CC[N@@H+]1C1CCN(C)CC1	ZINC000373529031	446248951	/nfs/dbraw/zinc/24/89/51/446248951.db2.gz	KRPSMUCVNBKZTQ-OXJNMPFZSA-N	1	3	342.487	1.692	20	30		EDEDHO
C[C@H]1CN(C[C@@H](O)c2ccc(C#N)cc2)CC[N@H+]1C1CCN(C)CC1	ZINC000373529031	446248955	/nfs/dbraw/zinc/24/89/55/446248955.db2.gz	KRPSMUCVNBKZTQ-OXJNMPFZSA-N	1	3	342.487	1.692	20	30		EDEDHO
CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NC[C@@H]1CCC[NH2+]C1	ZINC000418315836	446495894	/nfs/dbraw/zinc/49/58/94/446495894.db2.gz	KYCSQRYHYFWAST-GOSISDBHSA-N	1	3	343.475	1.631	20	30		EDEDHO
CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CC[C@H](C[NH3+])C1	ZINC000418785111	446701179	/nfs/dbraw/zinc/70/11/79/446701179.db2.gz	HNHLCDBZISYRML-ROUUACIJSA-N	1	3	343.475	1.759	20	30		EDEDHO
C=CCN1CC[C@H](N2CCC[N@@H+](C3CCN(CC)CC3)CC2)C1=O	ZINC000420982097	446955772	/nfs/dbraw/zinc/95/57/72/446955772.db2.gz	OPXQMEVAJUXSPS-SFHVURJKSA-N	1	3	334.508	1.265	20	30		EDEDHO
C=CCN1CC[C@H](N2CCC[N@H+](C3CCN(CC)CC3)CC2)C1=O	ZINC000420982097	446955777	/nfs/dbraw/zinc/95/57/77/446955777.db2.gz	OPXQMEVAJUXSPS-SFHVURJKSA-N	1	3	334.508	1.265	20	30		EDEDHO
CC[NH+]1CCC(N2CCC(C(=O)N[C@](C)(C#N)COC)CC2)CC1	ZINC000572615299	448424594	/nfs/dbraw/zinc/42/45/94/448424594.db2.gz	WRNOGBQNXLEIEP-GOSISDBHSA-N	1	3	336.480	1.228	20	30		EDEDHO
N#Cc1ccc(S(=O)(=O)CC[NH2+]CC2CCN(C3CC3)CC2)cc1	ZINC000572752713	448456983	/nfs/dbraw/zinc/45/69/83/448456983.db2.gz	DZLDJOQRWOSWHM-UHFFFAOYSA-N	1	3	347.484	1.796	20	30		EDEDHO
CN1CC[C@@]2(CC[N@H+](C[C@@H](O)COc3ccc(CC#N)cc3)C2)C1	ZINC000590022905	449098734	/nfs/dbraw/zinc/09/87/34/449098734.db2.gz	CIVHWUBFASVOHX-IEBWSBKVSA-N	1	3	329.444	1.520	20	30		EDEDHO
CN1CC[C@@]2(CC[N@@H+](C[C@@H](O)COc3ccc(CC#N)cc3)C2)C1	ZINC000590022905	449098736	/nfs/dbraw/zinc/09/87/36/449098736.db2.gz	CIVHWUBFASVOHX-IEBWSBKVSA-N	1	3	329.444	1.520	20	30		EDEDHO
C[NH+](C)CC1CCN(C[C@H](O)COc2ccc(CC#N)cc2)CC1	ZINC000609046864	449957845	/nfs/dbraw/zinc/95/78/45/449957845.db2.gz	FVAQXYLLJITRJA-SFHVURJKSA-N	1	3	331.460	1.766	20	30		EDEDHO
CN1CCC(CNC(=[NH2+])NC[C@@H]2CCCO2)(N2CCCCC2)CC1	ZINC000262661690	536335768	/nfs/dbraw/zinc/33/57/68/536335768.db2.gz	LVMLUPMZXRRSDD-INIZCTEOSA-N	1	3	337.512	1.020	20	30		EDEDHO
C=C(C)CN1CCC(NC(=O)N2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)CC1	ZINC000891519961	591104832	/nfs/dbraw/zinc/10/48/32/591104832.db2.gz	COQKCWXTRJIVLB-TZMCWYRMSA-N	1	3	348.413	1.806	20	30		EDEDHO
COc1cc(CN2C[C@H]3CC[C@@H](C2)[N@H+]3C2CCNCC2)ccc1C#N	ZINC000903980592	592401402	/nfs/dbraw/zinc/40/14/02/592401402.db2.gz	VGODPFNMVSRFPQ-KDURUIRLSA-N	1	3	340.471	1.967	20	30		EDEDHO
COc1cc(CN2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CCNCC2)ccc1C#N	ZINC000903980592	592401408	/nfs/dbraw/zinc/40/14/08/592401408.db2.gz	VGODPFNMVSRFPQ-KDURUIRLSA-N	1	3	340.471	1.967	20	30		EDEDHO
COc1cc(CN2C[C@H]3CC[C@@H](C2)N3C2CC[NH2+]CC2)ccc1C#N	ZINC000903980592	592401412	/nfs/dbraw/zinc/40/14/12/592401412.db2.gz	VGODPFNMVSRFPQ-KDURUIRLSA-N	1	3	340.471	1.967	20	30		EDEDHO
C#CCNC(=O)CC[NH2+]CCC1(O)CCN(Cc2ccccc2)CC1	ZINC000905437763	592534266	/nfs/dbraw/zinc/53/42/66/592534266.db2.gz	HUWCBEXBIVYKNR-UHFFFAOYSA-N	1	3	343.471	1.133	20	30		EDEDHO
CCN1C[C@]2(C[C@@H](O)[C@H]([NH2+]C[C@H](O)CC3(C#N)CC3)C2)[C@H]1C(C)C	ZINC000905501901	592546345	/nfs/dbraw/zinc/54/63/45/592546345.db2.gz	IENXDIIFJUSBRY-VDCDIQELSA-N	1	3	335.492	1.501	20	30		EDEDHO
CN(C)CCOc1cccc(CNC(=O)C#CC2CC[NH2+]CC2)c1	ZINC000852858007	595580144	/nfs/dbraw/zinc/58/01/44/595580144.db2.gz	MLLAPBZLTGBEET-UHFFFAOYSA-N	1	3	329.444	1.246	20	30		EDEDHO
C=C(Cl)C[C@H](N)C(=O)Nc1ccnn1C1CC[NH+](CC)CC1	ZINC000876712533	597299702	/nfs/dbraw/zinc/29/97/02/597299702.db2.gz	AGGDNXZHDJAYDA-ZDUSSCGKSA-N	1	3	325.844	1.948	20	30		EDEDHO
C=C(Cl)C[C@@H](N)C(=O)NCc1ccc(OCC[NH+](C)C)cc1	ZINC000876720055	597304397	/nfs/dbraw/zinc/30/43/97/597304397.db2.gz	ZRWCVCJORIXYAW-OAHLLOKOSA-N	1	3	325.840	1.713	20	30		EDEDHO
C=C(Cl)C[C@@H](N)C(=O)NCc1ccccc1OCC[NH+](C)C	ZINC000876739338	597315408	/nfs/dbraw/zinc/31/54/08/597315408.db2.gz	OSKAYFWILFCPJS-CQSZACIVSA-N	1	3	325.840	1.713	20	30		EDEDHO
C=C(Cl)C[C@@H]([NH3+])C(=O)Nc1ccc(CN2CCN(C)CC2)cc1	ZINC000876781534	597338977	/nfs/dbraw/zinc/33/89/77/597338977.db2.gz	OIJRFCRRYXMGFG-MRXNPFEDSA-N	1	3	336.867	1.842	20	30		EDEDHO
C=CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CN3CC4CC3(C4)CO2)C(C)(C)C1	ZINC000940902165	700976845	/nfs/dbraw/zinc/97/68/45/700976845.db2.gz	YATMUXNUGYISKA-ZEVUXNIQSA-N	1	3	347.503	1.642	20	30		EDEDHO
C=CCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CN3CC4CC3(C4)CO2)C(C)(C)C1	ZINC000940902165	700976846	/nfs/dbraw/zinc/97/68/46/700976846.db2.gz	YATMUXNUGYISKA-ZEVUXNIQSA-N	1	3	347.503	1.642	20	30		EDEDHO
C=C(C)CCN1CC(N2CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)CC2)C1	ZINC000941437402	701540495	/nfs/dbraw/zinc/54/04/95/701540495.db2.gz	ZYKLNKVYPBWCDO-GOSISDBHSA-N	1	3	334.508	1.121	20	30		EDEDHO
C[N@@H+]1CC[C@@H](C(=O)N2C[C@H](NCc3ccc(C#N)s3)C(C)(C)C2)C1	ZINC000996607557	702910794	/nfs/dbraw/zinc/91/07/94/702910794.db2.gz	CRNCPJHWUBAXJA-CJNGLKHVSA-N	1	3	346.500	1.898	20	30		EDEDHO
C[N@H+]1CC[C@@H](C(=O)N2C[C@H](NCc3ccc(C#N)s3)C(C)(C)C2)C1	ZINC000996607557	702910798	/nfs/dbraw/zinc/91/07/98/702910798.db2.gz	CRNCPJHWUBAXJA-CJNGLKHVSA-N	1	3	346.500	1.898	20	30		EDEDHO
C=C(C)C[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CN3CC4CC3(C4)CO2)CC1	ZINC000997227927	703503794	/nfs/dbraw/zinc/50/37/94/703503794.db2.gz	BHXVFVJEPPVVCO-LOPSVYGOSA-N	1	3	347.503	1.642	20	30		EDEDHO
C#CCN1CCC(C(=O)N2CCC([NH2+]Cc3ocnc3C)CC2)CC1	ZINC000997363364	703596685	/nfs/dbraw/zinc/59/66/85/703596685.db2.gz	DWFZTEPTHOPBDN-UHFFFAOYSA-N	1	3	344.459	1.409	20	30		EDEDHO
C#CCN1CCC([C@@H](C)NC(=O)C2CC[NH+](CC3CC3)CC2)CC1	ZINC000997387290	703656495	/nfs/dbraw/zinc/65/64/95/703656495.db2.gz	YGYHXIYKIPRWCE-MRXNPFEDSA-N	1	3	331.504	1.958	20	30		EDEDHO
C=C(Cl)CNC1CC(N(C)C(=O)c2ccn(CC[NH+](C)C)n2)C1	ZINC000998784264	706224965	/nfs/dbraw/zinc/22/49/65/706224965.db2.gz	DIUZRABRYBDCAN-UHFFFAOYSA-N	1	3	339.871	1.390	20	30		EDEDHO
CN(C(=O)CN1CCCC1)C1CC([NH2+]Cc2ccc(C#N)cc2F)C1	ZINC000999834107	707466776	/nfs/dbraw/zinc/46/67/76/707466776.db2.gz	RHTQPQLZNQJNLQ-UHFFFAOYSA-N	1	3	344.434	1.872	20	30		EDEDHO
C=C(C)CN1CC[C@@H](N(CC)C(=O)c2cnn(CC[NH+](C)C)c2)C1	ZINC001033983516	709192681	/nfs/dbraw/zinc/19/26/81/709192681.db2.gz	SKHQWJFCBXFVNU-QGZVFWFLSA-N	1	3	333.480	1.557	20	30		EDEDHO
CN1CCCN(CCC[NH2+][C@@H]2CCC[C@@H]3O[C@H](CC#N)C[C@H]32)CC1	ZINC000373224366	250234260	/nfs/dbraw/zinc/23/42/60/250234260.db2.gz	SQJDQJUZDUCFCP-HCXYKTFWSA-N	1	3	334.508	1.843	20	30		EDEDHO
COc1ccc([C@@H](CNC(=O)[C@H]([NH3+])CCCC#N)N2CCCC2)cc1	ZINC000424127591	252134199	/nfs/dbraw/zinc/13/41/99/252134199.db2.gz	BDNXMMLWLQVIPW-QZTJIDSGSA-N	1	3	344.459	1.969	20	30		EDEDHO
CN1CC[NH+](C[C@@H]2CCCN(CCOc3ccc(C#N)cc3)C2)CC1	ZINC000378300210	158133111	/nfs/dbraw/zinc/13/31/11/158133111.db2.gz	VXPBAWUPQMNHMG-LJQANCHMSA-N	1	3	342.487	1.896	20	30		EDEDHO
C[C@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)c1cccc(C#N)c1	ZINC000080587918	441181463	/nfs/dbraw/zinc/18/14/63/441181463.db2.gz	FCTXJZINJSEAAT-HNNXBMFYSA-N	1	3	331.464	1.754	20	30		EDEDHO
CN(C)CCn1cc(NC(=O)N(CCC#N)CCC[NH+](C)C)cn1	ZINC000086301798	441461844	/nfs/dbraw/zinc/46/18/44/441461844.db2.gz	XZLSWXPNFUZRNT-UHFFFAOYSA-N	1	3	335.456	1.144	20	30		EDEDHO
C#CCN1CCC(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)CC1	ZINC000248890908	442934775	/nfs/dbraw/zinc/93/47/75/442934775.db2.gz	SQCYJCUSKLPILC-YLJYHZDGSA-N	1	3	339.483	1.968	20	30		EDEDHO
C#CCN1CCC(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)CC1	ZINC000248890908	442934780	/nfs/dbraw/zinc/93/47/80/442934780.db2.gz	SQCYJCUSKLPILC-YLJYHZDGSA-N	1	3	339.483	1.968	20	30		EDEDHO
CCN1CCC[C@H]1CNC(=[NH2+])NCCCn1cnc2ccccc21	ZINC000264136333	443252692	/nfs/dbraw/zinc/25/26/92/443252692.db2.gz	VJDKXDHYLFEESI-HNNXBMFYSA-N	1	3	328.464	1.815	20	30		EDEDHO
CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](C)Oc1ccccc1OC	ZINC000267414320	443449201	/nfs/dbraw/zinc/44/92/01/443449201.db2.gz	IXSXIGUBEKQRNA-HUUCEWRRSA-N	1	3	334.464	1.851	20	30		EDEDHO
CC(C)[NH2+]C1CCN(C(=O)NCCN2CCN(C)C(C)(C)C2)CC1	ZINC000331281547	444461676	/nfs/dbraw/zinc/46/16/76/444461676.db2.gz	UWCDCCLBJKIJOU-UHFFFAOYSA-N	1	3	339.528	1.389	20	30		EDEDHO
CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1cccc(C#N)n1	ZINC000583320595	326049817	/nfs/dbraw/zinc/04/98/17/326049817.db2.gz	DCTSKLVLGTYGBQ-MRXNPFEDSA-N	1	3	344.463	1.833	20	30		EDEDHO
CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1cccc(C#N)n1	ZINC000583320595	326049818	/nfs/dbraw/zinc/04/98/18/326049818.db2.gz	DCTSKLVLGTYGBQ-MRXNPFEDSA-N	1	3	344.463	1.833	20	30		EDEDHO
C=CCN(CC=C)[C@H](CNC(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1)C(C)C	ZINC000417067456	447733112	/nfs/dbraw/zinc/73/31/12/447733112.db2.gz	RQZPDUBRDZKUSD-KZNAEPCWSA-N	1	3	334.508	1.936	20	30		EDEDHO
C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)C1(c2ccc(C#N)cc2)CC1	ZINC000597941433	449151319	/nfs/dbraw/zinc/15/13/19/449151319.db2.gz	AQVJPTMVQKUJTC-INIZCTEOSA-N	1	3	342.487	1.978	20	30		EDEDHO
C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)C1(c2ccc(C#N)cc2)CC1	ZINC000597941433	449151323	/nfs/dbraw/zinc/15/13/23/449151323.db2.gz	AQVJPTMVQKUJTC-INIZCTEOSA-N	1	3	342.487	1.978	20	30		EDEDHO
N#CC(CCc1ccccc1)C(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1	ZINC000598450893	449400427	/nfs/dbraw/zinc/40/04/27/449400427.db2.gz	JIGIOPQYSVPCLU-MJGOQNOKSA-N	1	3	341.455	1.817	20	30		EDEDHO
N#CC(CCc1ccccc1)C(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1	ZINC000598450893	449400429	/nfs/dbraw/zinc/40/04/29/449400429.db2.gz	JIGIOPQYSVPCLU-MJGOQNOKSA-N	1	3	341.455	1.817	20	30		EDEDHO
Cc1cc(NCC2([NH+](C)C)CC2)c(C#N)c(NCC2(N(C)C)CC2)n1	ZINC000596274137	449451037	/nfs/dbraw/zinc/45/10/37/449451037.db2.gz	AIVOWEYTVWUWEI-UHFFFAOYSA-N	1	3	342.491	2.274	20	30		EDEDHO
C[C@@H]([NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)C1CCN(C)CC1	ZINC000617098390	449459579	/nfs/dbraw/zinc/45/95/79/449459579.db2.gz	KFHUXPXKZFZWPU-BEFAXECRSA-N	1	3	340.471	1.979	20	30		EDEDHO
N#CCCCC[C@@H]([NH3+])C(=O)Nc1cccc(CN2CCC(O)CC2)c1	ZINC000594440514	449519090	/nfs/dbraw/zinc/51/90/90/449519090.db2.gz	DSXXZPLDSAHQKD-GOSISDBHSA-N	1	3	344.459	1.993	20	30		EDEDHO
CN(C)CCN(CC[NH+](C)C)C(=O)NCCc1ccc(C#N)cc1	ZINC000596670849	449598609	/nfs/dbraw/zinc/59/86/09/449598609.db2.gz	DLXPKZPEGAAGKS-UHFFFAOYSA-N	1	3	331.464	1.236	20	30		EDEDHO
CN(C)CCNC(=O)C1CC[NH+](CCc2ccc(C#N)cc2)CC1	ZINC000595364939	450077461	/nfs/dbraw/zinc/07/74/61/450077461.db2.gz	KHYZMMKNNPGKPI-UHFFFAOYSA-N	1	3	328.460	1.491	20	30		EDEDHO
C=C(CC[NH+](C)C)C(=O)N1CCN(c2ccc(CN(C)C)cn2)CC1	ZINC000900713245	592102281	/nfs/dbraw/zinc/10/22/81/592102281.db2.gz	DAXCJLOTAOBYRH-UHFFFAOYSA-N	1	3	345.491	1.300	20	30		EDEDHO
N#Cc1cccc(C2(NC[C@@H]3C[C@@]4(CC[NH2+]C4)CO3)CCOCC2)c1	ZINC000903764988	592308970	/nfs/dbraw/zinc/30/89/70/592308970.db2.gz	CXPOMZVUCLURRB-RBUKOAKNSA-N	1	3	341.455	1.922	20	30		EDEDHO
C=C(C[NH+](C)C)C(=O)N1CCO[C@H]2CCN(Cc3ccccc3)C[C@@H]21	ZINC000846444740	595234609	/nfs/dbraw/zinc/23/46/09/595234609.db2.gz	WLSGQSUNJHMTQH-OALUTQOASA-N	1	3	343.471	1.606	20	30		EDEDHO
O=C(C#CC1CC[NH2+]CC1)NC[C@H]1CCCN1Cc1ccccc1	ZINC000852868982	595588615	/nfs/dbraw/zinc/58/86/15/595588615.db2.gz	RNWOKNNVVJNCNX-LJQANCHMSA-N	1	3	325.456	1.770	20	30		EDEDHO
C#CCOc1ccc([C@H](C)[NH2+]CCCN2CCC[C@H](C(N)=O)C2)cc1	ZINC000128029251	597730293	/nfs/dbraw/zinc/73/02/93/597730293.db2.gz	IKJYFECXKBTFQZ-WMZOPIPTSA-N	1	3	343.471	1.937	20	30		EDEDHO
CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)C2CC3(C2)CNC[C@@H]3C#N)CC1	ZINC000884345563	598076536	/nfs/dbraw/zinc/07/65/36/598076536.db2.gz	IWMIDYWJVIIZTJ-YJTLQXIOSA-N	1	3	330.476	1.362	20	30		EDEDHO
C#CCN(C(=O)NC1CC[NH+](CCCC)CC1)C1CCN(C)CC1	ZINC000915711561	695976169	/nfs/dbraw/zinc/97/61/69/695976169.db2.gz	DZNIOAZAJYXHCS-UHFFFAOYSA-N	1	3	334.508	1.990	20	30		EDEDHO
C#CCN1CCC(C(=O)N2C[C@H]([NH2+]Cc3cncs3)[C@@H](C)C2)CC1	ZINC000939812234	699960091	/nfs/dbraw/zinc/96/00/91/699960091.db2.gz	VOIBAVUPEAFCMF-YOEHRIQHSA-N	1	3	346.500	1.425	20	30		EDEDHO
C=CCN1CC[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C(C)(C)C1	ZINC000941091566	701135331	/nfs/dbraw/zinc/13/53/31/701135331.db2.gz	WSISUEYMDSAXRP-MRXNPFEDSA-N	1	3	333.480	1.461	20	30		EDEDHO
C=C(C)CCN1CC(N2CCN(C(=O)[C@H]3CCC[N@H+]3CCC)CC2)C1	ZINC000941431965	701538247	/nfs/dbraw/zinc/53/82/47/701538247.db2.gz	YDPXIAPGUZQXJJ-LJQANCHMSA-N	1	3	348.535	1.655	20	30		EDEDHO
C=C(C)CCN1CC(N2CCN(C(=O)[C@H]3CCC[N@@H+]3CCC)CC2)C1	ZINC000941431965	701538248	/nfs/dbraw/zinc/53/82/48/701538248.db2.gz	YDPXIAPGUZQXJJ-LJQANCHMSA-N	1	3	348.535	1.655	20	30		EDEDHO
C[N@@H+]1CC[C@@H](C(=O)N2CCC(NCc3cc(F)ccc3C#N)CC2)C1	ZINC000997298406	703556362	/nfs/dbraw/zinc/55/63/62/703556362.db2.gz	IZSBGXKNLFLMRR-OAHLLOKOSA-N	1	3	344.434	1.730	20	30		EDEDHO
C[N@H+]1CC[C@@H](C(=O)N2CCC(NCc3cc(F)ccc3C#N)CC2)C1	ZINC000997298406	703556364	/nfs/dbraw/zinc/55/63/64/703556364.db2.gz	IZSBGXKNLFLMRR-OAHLLOKOSA-N	1	3	344.434	1.730	20	30		EDEDHO
C#CCN1CCC(C(=O)N[C@H](C)C2CC[NH+](CCCF)CC2)CC1	ZINC000997435730	703665310	/nfs/dbraw/zinc/66/53/10/703665310.db2.gz	ZXRBNTXQJSLSGW-MRXNPFEDSA-N	1	3	337.483	1.908	20	30		EDEDHO
C#CC[N@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2CN3CC4CC3(C4)CO2)CC1	ZINC000998064739	705274781	/nfs/dbraw/zinc/27/47/81/705274781.db2.gz	AZTYFJUSISXZCX-NNVNDSJASA-N	1	3	345.487	1.186	20	30		EDEDHO
C#CC[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2CN3CC4CC3(C4)CO2)CC1	ZINC000998064739	705274785	/nfs/dbraw/zinc/27/47/85/705274785.db2.gz	AZTYFJUSISXZCX-NNVNDSJASA-N	1	3	345.487	1.186	20	30		EDEDHO
C=C(Br)CNC1CC(N(C)C(=O)C[C@@H]2CC[N@H+](C)C2)C1	ZINC000999682699	707168360	/nfs/dbraw/zinc/16/83/60/707168360.db2.gz	SPMGDMMBQBKQBJ-HSBZDZAISA-N	1	3	344.297	1.816	20	30		EDEDHO
C=C(Br)CNC1CC(N(C)C(=O)C[C@@H]2CC[N@@H+](C)C2)C1	ZINC000999682699	707168361	/nfs/dbraw/zinc/16/83/61/707168361.db2.gz	SPMGDMMBQBKQBJ-HSBZDZAISA-N	1	3	344.297	1.816	20	30		EDEDHO
C#CCN1CCC(C(=O)N[C@@H]2CCCC[N@@H+](C[C@H](CC)OC)C2)CC1	ZINC001034538553	710211281	/nfs/dbraw/zinc/21/12/81/710211281.db2.gz	PIVUHGHCEJRDKW-MOPGFXCFSA-N	1	3	349.519	1.727	20	30		EDEDHO
C#CCN1CCC(C(=O)N[C@@H]2CCCC[N@H+](C[C@H](CC)OC)C2)CC1	ZINC001034538553	710211284	/nfs/dbraw/zinc/21/12/84/710211284.db2.gz	PIVUHGHCEJRDKW-MOPGFXCFSA-N	1	3	349.519	1.727	20	30		EDEDHO
C[C@@H](C(=O)Nc1cccc(C#N)c1)N(C)CCC[NH+]1CCN(C)CC1	ZINC000174718333	441957943	/nfs/dbraw/zinc/95/79/43/441957943.db2.gz	WSHLZTCNUCXVMF-INIZCTEOSA-N	1	3	343.475	1.455	20	30		EDEDHO
CCO[C@@H]1C[C@H](NC(=[NH2+])NC[C@H]2CCCN2CC)C12CCOCC2	ZINC000248629324	442909834	/nfs/dbraw/zinc/90/98/34/442909834.db2.gz	GGYXIJVCZGPNGK-OWCLPIDISA-N	1	3	338.496	1.349	20	30		EDEDHO
CC[NH+]=C(NCc1cn[nH]c1C)N1CC[C@@H](C)[C@H](n2ccnc2)C1	ZINC000261963952	443176047	/nfs/dbraw/zinc/17/60/47/443176047.db2.gz	LAUUVTQVQUNQDP-CZUORRHYSA-N	1	3	329.452	1.963	20	30		EDEDHO
CC(C)[C@@H](CNC(=[NH2+])N1CCN(c2ncccn2)CC1)N1CCCC1	ZINC000264063579	443247369	/nfs/dbraw/zinc/24/73/69/443247369.db2.gz	DLFAEGPTWBPKPN-MRXNPFEDSA-N	1	3	345.495	1.034	20	30		EDEDHO
CCCCNC(=[NH2+])NCc1cccc(CN2CCC[C@@H](C(N)=O)C2)c1	ZINC000267453866	443462920	/nfs/dbraw/zinc/46/29/20/443462920.db2.gz	SHMGYHDDVDVGBH-QGZVFWFLSA-N	1	3	345.491	1.588	20	30		EDEDHO
CN(C)[C@@H]1CCC[C@H]([NH2+]C[C@H](O)COc2ccc(CC#N)cc2)C1	ZINC000576816552	448146708	/nfs/dbraw/zinc/14/67/08/448146708.db2.gz	XJNBIJLYLISMLT-KSZLIROESA-N	1	3	331.460	1.955	20	30		EDEDHO
C[C@@H]1CN(CC2CC[NH+](C[C@@H](O)CC3(C#N)CC3)CC2)C[C@@H](C)O1	ZINC000528369787	448501236	/nfs/dbraw/zinc/50/12/36/448501236.db2.gz	VNDZNDCMGCSNIZ-NUJGCVRESA-N	1	3	335.492	1.862	20	30		EDEDHO
CC(C)N1CCN([C@@H]2CCN(C(=O)[C@H]([NH3+])CCCCC#N)C2)CC1	ZINC000594439936	449517906	/nfs/dbraw/zinc/51/79/06/449517906.db2.gz	WNHYJCYTOYFNHW-IAGOWNOFSA-N	1	3	335.496	1.025	20	30		EDEDHO
CN1CC[C@@]2(C1)CCC[N@H+](C[C@@H](O)COc1ccc(C#N)cc1)C2	ZINC000595506149	450193905	/nfs/dbraw/zinc/19/39/05/450193905.db2.gz	ANGDQWGSSYOFSX-IEBWSBKVSA-N	1	3	329.444	1.716	20	30		EDEDHO
CN1CC[C@@]2(C1)CCC[N@@H+](C[C@@H](O)COc1ccc(C#N)cc1)C2	ZINC000595506149	450193912	/nfs/dbraw/zinc/19/39/12/450193912.db2.gz	ANGDQWGSSYOFSX-IEBWSBKVSA-N	1	3	329.444	1.716	20	30		EDEDHO
CCN1CCC[C@H]1CNC(=[NH2+])NCc1ccc(Cn2cccn2)cc1	ZINC000264069155	535597504	/nfs/dbraw/zinc/59/75/04/535597504.db2.gz	CQVZYZDNJHFCBT-SFHVURJKSA-N	1	3	340.475	1.820	20	30		EDEDHO
N#Cc1ccc(OC[C@@H](O)C[N@@H+]2CCNCCC23CCOCC3)cc1	ZINC000903819949	592333184	/nfs/dbraw/zinc/33/31/84/592333184.db2.gz	RDEBUBDNKYMOFT-KRWDZBQOSA-N	1	3	345.443	1.142	20	30		EDEDHO
N#Cc1ccc(OC[C@@H](O)C[N@H+]2CCNCCC23CCOCC3)cc1	ZINC000903819949	592333189	/nfs/dbraw/zinc/33/31/89/592333189.db2.gz	RDEBUBDNKYMOFT-KRWDZBQOSA-N	1	3	345.443	1.142	20	30		EDEDHO
C=C(CC[NH+](C)C)C(=O)N1CC[C@H](CN(C)Cc2cccnc2)C1	ZINC000907570645	592715406	/nfs/dbraw/zinc/71/54/06/592715406.db2.gz	LAZHLKJLSMXDIZ-GOSISDBHSA-N	1	3	330.476	1.870	20	30		EDEDHO
N#Cc1ccc([C@H](O)CNC2CC[NH+](C[C@@H]3CCCO3)CC2)cc1	ZINC000819063189	593736847	/nfs/dbraw/zinc/73/68/47/593736847.db2.gz	WWKJUBZQKQZELT-RBUKOAKNSA-N	1	3	329.444	1.825	20	30		EDEDHO
CN1CCC[NH+]=C1NCCCCN1CCN(Cc2ccccc2)CC1	ZINC000849110759	595483654	/nfs/dbraw/zinc/48/36/54/595483654.db2.gz	ADGXIWCHDGRSAJ-UHFFFAOYSA-N	1	3	343.519	1.866	20	30		EDEDHO
C=C(Br)CNC1CC(N(C)C(=O)C[N@H+]2CC[C@@H](C)C2)C1	ZINC000999404663	706913599	/nfs/dbraw/zinc/91/35/99/706913599.db2.gz	YEIBPYICFZAYCA-LMWSTFAQSA-N	1	3	344.297	1.816	20	30		EDEDHO
C=C(Br)CNC1CC(N(C)C(=O)C[N@@H+]2CC[C@@H](C)C2)C1	ZINC000999404663	706913601	/nfs/dbraw/zinc/91/36/01/706913601.db2.gz	YEIBPYICFZAYCA-LMWSTFAQSA-N	1	3	344.297	1.816	20	30		EDEDHO
C[NH+]=C(NCCNc1ccncc1)N1CC[C@H](c2cnn(C)c2)C1	ZINC000262442852	533478695	/nfs/dbraw/zinc/47/86/95/533478695.db2.gz	HZYLPSJKRLIZBZ-AWEZNQCLSA-N	1	3	327.436	1.292	20	30		EDEDHO
COc1ccc(CNC(=[NH2+])NCCN2CCC[C@H](C)C2)cc1OC	ZINC000104168283	533551171	/nfs/dbraw/zinc/55/11/71/533551171.db2.gz	SHRZBRDDPHTVHJ-AWEZNQCLSA-N	1	3	334.464	1.840	20	30		EDEDHO
C[C@@H]1C[N@H+](CCOc2ccc(C#N)cc2)CC[C@@H]1N1CCN(C)CC1	ZINC000372329091	156336225	/nfs/dbraw/zinc/33/62/25/156336225.db2.gz	AQMRKNCKJVUECD-XLIONFOSSA-N	1	3	342.487	1.895	20	30		EDEDHO
C[C@@H]1C[N@@H+](CCOc2ccc(C#N)cc2)CC[C@@H]1N1CCN(C)CC1	ZINC000372329091	156336228	/nfs/dbraw/zinc/33/62/28/156336228.db2.gz	AQMRKNCKJVUECD-XLIONFOSSA-N	1	3	342.487	1.895	20	30		EDEDHO
CCO[C@@H](CC[NH+](C)C)CNC(=O)C(C#N)Cc1ccc(C#N)cc1	ZINC000279394032	266290617	/nfs/dbraw/zinc/29/06/17/266290617.db2.gz	AMLILRZTCKBCTG-ROUUACIJSA-N	1	3	342.443	1.714	20	30		EDEDHO
C[C@H](Oc1ccc(C#N)cc1)C(=O)N(CCN(C)C)CC[NH+](C)C	ZINC000103211085	272918798	/nfs/dbraw/zinc/91/87/98/272918798.db2.gz	QISXVTJLGCLJEO-HNNXBMFYSA-N	1	3	332.448	1.277	20	30		EDEDHO
C=CCN(CC=C)[C@@H](CNC(=O)c1cc([C@H]2CC[NH2+]C2)n[nH]1)C(C)C	ZINC000279065772	277849764	/nfs/dbraw/zinc/84/97/64/277849764.db2.gz	SVJYMARQBJCGBU-YJBOKZPZSA-N	1	3	345.491	1.915	20	30		EDEDHO
C[C@@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)c1cccc(C#N)c1	ZINC000080587921	441181449	/nfs/dbraw/zinc/18/14/49/441181449.db2.gz	FCTXJZINJSEAAT-OAHLLOKOSA-N	1	3	331.464	1.754	20	30		EDEDHO
CCN1CCC[C@H]1CNC(=[NH2+])NC[C@H](c1cccc(F)c1)N(C)C	ZINC000264137716	443253024	/nfs/dbraw/zinc/25/30/24/443253024.db2.gz	VTCWJVMKIZQWRM-DLBZAZTESA-N	1	3	335.471	1.817	20	30		EDEDHO
CCN1CCC[C@H]1CNC(=[NH2+])NC[C@@H]1CC(=O)Nc2ccccc21	ZINC000304807937	444253282	/nfs/dbraw/zinc/25/32/82/444253282.db2.gz	UEWRBOJYYAVKGR-KBPBESRZSA-N	1	3	329.448	1.501	20	30		EDEDHO
CCOC(=O)N[C@H](CNC(=[NH2+])NC[C@@H]1CCCN1CC)CC(C)C	ZINC000303888303	444237572	/nfs/dbraw/zinc/23/75/72/444237572.db2.gz	OWAPZCKJUKSDKF-GJZGRUSLSA-N	1	3	341.500	1.536	20	30		EDEDHO
C[NH+]1CCC(N2CCC(NC(=O)NCC[C@H]3CCOC3)CC2)CC1	ZINC000329653816	444666547	/nfs/dbraw/zinc/66/65/47/444666547.db2.gz	LORUWWQTHBNRCZ-HNNXBMFYSA-N	1	3	338.496	1.475	20	30		EDEDHO
C[C@H](NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1cnn(C)c1	ZINC000329792959	444718420	/nfs/dbraw/zinc/71/84/20/444718420.db2.gz	AOVYDAIUOYTDOD-AWEZNQCLSA-N	1	3	348.495	1.543	20	30		EDEDHO
COCCN1CC[C@@H](NC(=O)NC2CC[NH+](C(C)(C)C)CC2)C1	ZINC000330849379	445165249	/nfs/dbraw/zinc/16/52/49/445165249.db2.gz	PYDGTIXKFHVEBI-OAHLLOKOSA-N	1	3	326.485	1.474	20	30		EDEDHO
C(#CC[N@@H+]1CC[C@@]2(C1)CCCOC2)CN1CC[C@]2(C1)CCCOC2	ZINC000375290817	446697742	/nfs/dbraw/zinc/69/77/42/446697742.db2.gz	CRSCQCXXDGSZJI-BGYRXZFFSA-N	1	3	332.488	1.995	20	30		EDEDHO
C(#CC[N@H+]1CC[C@@]2(C1)CCCOC2)CN1CC[C@]2(C1)CCCOC2	ZINC000375290817	446697746	/nfs/dbraw/zinc/69/77/46/446697746.db2.gz	CRSCQCXXDGSZJI-BGYRXZFFSA-N	1	3	332.488	1.995	20	30		EDEDHO
C(#CC[N@@H+]1CC[C@]2(C1)CCCOC2)CN1CC[C@@]2(C1)CCCOC2	ZINC000375290817	446697754	/nfs/dbraw/zinc/69/77/54/446697754.db2.gz	CRSCQCXXDGSZJI-BGYRXZFFSA-N	1	3	332.488	1.995	20	30		EDEDHO
C(#CC[N@H+]1CC[C@]2(C1)CCCOC2)CN1CC[C@@]2(C1)CCCOC2	ZINC000375290817	446697759	/nfs/dbraw/zinc/69/77/59/446697759.db2.gz	CRSCQCXXDGSZJI-BGYRXZFFSA-N	1	3	332.488	1.995	20	30		EDEDHO
CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCC1(C#N)CCC1	ZINC000419624967	447304257	/nfs/dbraw/zinc/30/42/57/447304257.db2.gz	KWRQGPSZVIQVSI-MRXNPFEDSA-N	1	3	335.496	1.738	20	30		EDEDHO
CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCC1(C#N)CCC1	ZINC000419624967	447304259	/nfs/dbraw/zinc/30/42/59/447304259.db2.gz	KWRQGPSZVIQVSI-MRXNPFEDSA-N	1	3	335.496	1.738	20	30		EDEDHO
Cc1ccc(CN2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)cc1C#N	ZINC000600710281	449510092	/nfs/dbraw/zinc/51/00/92/449510092.db2.gz	RBZLWZPNBIFWOK-HKUYNNGSSA-N	1	3	340.471	1.947	20	30		EDEDHO
Cc1cc(NC(=O)[C@H](N)CCCCC#N)n(C2CC[NH+](C)CC2)n1	ZINC000594437344	449516228	/nfs/dbraw/zinc/51/62/28/449516228.db2.gz	BBXLRYNOUHOOIM-OAHLLOKOSA-N	1	3	332.452	1.808	20	30		EDEDHO
C=CC[C@@]1(C(=O)NCC2(N(C)C)Cc3ccccc3C2)CCC[NH2+]1	ZINC000662742131	453469768	/nfs/dbraw/zinc/46/97/68/453469768.db2.gz	STXBSNLJJPGIGS-FQEVSTJZSA-N	1	3	327.472	1.900	20	30		EDEDHO
C=C(CC[NH+](C)C)C(=O)NCC1CCN(Cc2ccncc2)CC1	ZINC000912403540	593093481	/nfs/dbraw/zinc/09/34/81/593093481.db2.gz	XFXMXKYPMDJUEB-UHFFFAOYSA-N	1	3	330.476	1.918	20	30		EDEDHO
N#C[C@H]1CNCC12CC(C(=O)N1CC[C@@H](C[NH+]3CCCCC3)C1)C2	ZINC000884227642	598036285	/nfs/dbraw/zinc/03/62/85/598036285.db2.gz	UXHDZUQRALPBPX-WPZCVXBKSA-N	1	3	330.476	1.460	20	30		EDEDHO
C=C(C)CN1CC[C@@H](N(C)C(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1	ZINC001033094080	704175585	/nfs/dbraw/zinc/17/55/85/704175585.db2.gz	WIUIJTODGQXVNA-QRVBRYPASA-N	1	3	349.519	1.842	20	30		EDEDHO
CC#CC[NH+]1CCC([C@H](C)NC(=O)[C@H]2CN3CC4CC3(C4)CO2)CC1	ZINC000997691248	704563892	/nfs/dbraw/zinc/56/38/92/704563892.db2.gz	IZEGCZUQBDBXCR-GBJJWRMUSA-N	1	3	345.487	1.090	20	30		EDEDHO
C[NH+]1CCC(N2CCC(NC(=O)NCC3(CC#N)CC3)CC2)CC1	ZINC000373782761	250244983	/nfs/dbraw/zinc/24/49/83/250244983.db2.gz	MVCLKZCHWNMVJJ-UHFFFAOYSA-N	1	3	333.480	1.538	20	30		EDEDHO
Cc1onc(CC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c1C#N	ZINC000331882399	141093536	/nfs/dbraw/zinc/09/35/36/141093536.db2.gz	PZONUEZEWBXIPJ-UHFFFAOYSA-N	1	3	345.447	1.072	20	30		EDEDHO
C[C@H](C(=O)Nc1cccc(C#N)c1)N(C)CCCN(C)CC[NH+](C)C	ZINC000289483924	267138182	/nfs/dbraw/zinc/13/81/82/267138182.db2.gz	SAOAXYQFSLGNQS-MRXNPFEDSA-N	1	3	345.491	1.701	20	30		EDEDHO
CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@@H]1CC[C@H](C#N)C1	ZINC000425841222	447331997	/nfs/dbraw/zinc/33/19/97/447331997.db2.gz	HVJBJOSBLHDCFH-BBWFWOEESA-N	1	3	335.496	1.736	20	30		EDEDHO
CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@@H]1CC[C@H](C#N)C1	ZINC000425841222	447332000	/nfs/dbraw/zinc/33/20/00/447332000.db2.gz	HVJBJOSBLHDCFH-BBWFWOEESA-N	1	3	335.496	1.736	20	30		EDEDHO
C[NH+]=C(NCc1nccn1C(F)F)N[C@H]1CN(C(C)C)C[C@H]1C	ZINC000158407034	441734148	/nfs/dbraw/zinc/73/41/48/441734148.db2.gz	JPKKJGOGFSGKRH-NEPJUHHUSA-N	1	3	328.411	1.672	20	30		EDEDHO
COC[C@H](C)NC(=[NH2+])NCc1ccc(OC2CCN(C)CC2)cc1	ZINC000284139355	443768158	/nfs/dbraw/zinc/76/81/58/443768158.db2.gz	UXMPLMOMRISAKV-AWEZNQCLSA-N	1	3	334.464	1.599	20	30		EDEDHO
CN(CC1(O)CCC1)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1	ZINC000329595462	444641404	/nfs/dbraw/zinc/64/14/04/444641404.db2.gz	VJTYOOMBPINTKM-UHFFFAOYSA-N	1	3	338.496	1.306	20	30		EDEDHO
C=C(C)C[NH+]1CCC(NC(=O)N(C)C[C@H]2C[C@@H](OC)CN2C)CC1	ZINC000347087319	445231458	/nfs/dbraw/zinc/23/14/58/445231458.db2.gz	GMFPDDKOXWTMDB-IAGOWNOFSA-N	1	3	338.496	1.387	20	30		EDEDHO
C#CCN(C)CCCNC(=O)NC1CC[NH+](CC2CCCC2)CC1	ZINC000491372582	448006853	/nfs/dbraw/zinc/00/68/53/448006853.db2.gz	JYIQBIKPYIIEOM-UHFFFAOYSA-N	1	3	334.508	1.895	20	30		EDEDHO
C[C@@H]1C[C@@H](NC[C@@H](O)CN(C)CCC#N)CC[N@@H+]1Cc1ccccc1	ZINC000576389724	448042949	/nfs/dbraw/zinc/04/29/49/448042949.db2.gz	AAPAMYCUXIGWRA-YZGWKJHDSA-N	1	3	344.503	1.835	20	30		EDEDHO
C[C@@H]1C[C@@H](NC[C@@H](O)CN(C)CCC#N)CC[N@H+]1Cc1ccccc1	ZINC000576389724	448042953	/nfs/dbraw/zinc/04/29/53/448042953.db2.gz	AAPAMYCUXIGWRA-YZGWKJHDSA-N	1	3	344.503	1.835	20	30		EDEDHO
CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Cc1cccc(C#N)c1	ZINC000531392672	448076250	/nfs/dbraw/zinc/07/62/50/448076250.db2.gz	KTQNKPSGRGLNGK-LJQANCHMSA-N	1	3	342.487	1.975	20	30		EDEDHO
CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Cc1cccc(C#N)c1	ZINC000531392672	448076255	/nfs/dbraw/zinc/07/62/55/448076255.db2.gz	KTQNKPSGRGLNGK-LJQANCHMSA-N	1	3	342.487	1.975	20	30		EDEDHO
OC1([C@H]2CCCCN2CC#CC[N@@H+]2CCCC[C@H]2C2(O)CC2)CC1	ZINC000568601529	448893788	/nfs/dbraw/zinc/89/37/88/448893788.db2.gz	YWJMYJJKUNQQQY-HDICACEKSA-N	1	3	332.488	1.749	20	30		EDEDHO
OC1([C@H]2CCCCN2CC#CC[N@H+]2CCCC[C@H]2C2(O)CC2)CC1	ZINC000568601529	448893793	/nfs/dbraw/zinc/89/37/93/448893793.db2.gz	YWJMYJJKUNQQQY-HDICACEKSA-N	1	3	332.488	1.749	20	30		EDEDHO
OC1([C@H]2CCCC[N@H+]2CC#CCN2CCCC[C@H]2C2(O)CC2)CC1	ZINC000568601529	448893797	/nfs/dbraw/zinc/89/37/97/448893797.db2.gz	YWJMYJJKUNQQQY-HDICACEKSA-N	1	3	332.488	1.749	20	30		EDEDHO
OC1([C@H]2CCCC[N@@H+]2CC#CCN2CCCC[C@H]2C2(O)CC2)CC1	ZINC000568601529	448893801	/nfs/dbraw/zinc/89/38/01/448893801.db2.gz	YWJMYJJKUNQQQY-HDICACEKSA-N	1	3	332.488	1.749	20	30		EDEDHO
C[N@H+](CCc1ccccc1)[C@H]1CCN(C(=O)[C@@H](N)CCCC#N)C1	ZINC000595949224	449275585	/nfs/dbraw/zinc/27/55/85/449275585.db2.gz	YMHJDYWVOTWMJH-ROUUACIJSA-N	1	3	328.460	1.783	20	30		EDEDHO
C[N@@H+](CCc1ccccc1)[C@H]1CCN(C(=O)[C@@H](N)CCCC#N)C1	ZINC000595949224	449275587	/nfs/dbraw/zinc/27/55/87/449275587.db2.gz	YMHJDYWVOTWMJH-ROUUACIJSA-N	1	3	328.460	1.783	20	30		EDEDHO
N#CC1(C[C@H](O)C[NH2+]Cc2ccc(CN3CCC(O)CC3)cc2)CC1	ZINC000600726999	449520849	/nfs/dbraw/zinc/52/08/49/449520849.db2.gz	NSWCSLNKCVLJIP-IBGZPJMESA-N	1	3	343.471	1.788	20	30		EDEDHO
C[C@@H](CC1(C#N)CCOCC1)[NH2+][C@@H]1CCN(C2CCN(C)CC2)C1	ZINC000602549436	449667467	/nfs/dbraw/zinc/66/74/67/449667467.db2.gz	VVQLQVTYOVMUKB-DLBZAZTESA-N	1	3	334.508	1.843	20	30		EDEDHO
C[C@@H](CC1(C#N)CCOCC1)[NH2+][C@H]1CCN(C2CCN(C)CC2)C1	ZINC000602549441	449667729	/nfs/dbraw/zinc/66/77/29/449667729.db2.gz	VVQLQVTYOVMUKB-IRXDYDNUSA-N	1	3	334.508	1.843	20	30		EDEDHO
C=CC[C@@]1(C(=O)Nc2ccc(C(=O)NCCN(C)C)cc2)CCC[NH2+]1	ZINC000638527543	451560071	/nfs/dbraw/zinc/56/00/71/451560071.db2.gz	UXFYHMJOPSRWES-IBGZPJMESA-N	1	3	344.459	1.615	20	30		EDEDHO
C=C(C)CN1CCC(NC(=O)NCCN(C)CCC[NH+](C)C)CC1	ZINC000664016355	452719122	/nfs/dbraw/zinc/71/91/22/452719122.db2.gz	OCCSNLPRIPZPAC-UHFFFAOYSA-N	1	3	339.528	1.210	20	30		EDEDHO
C=C(CC[NH+](C)C)C(=O)NCc1ccccc1CN1CCC[C@H]1CO	ZINC000907287203	592585133	/nfs/dbraw/zinc/58/51/33/592585133.db2.gz	HCIFCONJYNYLQP-IBGZPJMESA-N	1	3	345.487	1.767	20	30		EDEDHO
CCN1CCC(n2nccc2NC(=O)C#CC2CC[NH2+]CC2)CC1	ZINC000852857434	595579013	/nfs/dbraw/zinc/57/90/13/595579013.db2.gz	SOPKEVPRLYHDMM-UHFFFAOYSA-N	1	3	329.448	1.481	20	30		EDEDHO
C[C@H]1C[C@@H](NC(=O)C#CC2CC[NH2+]CC2)CN1Cc1ccccc1	ZINC000852869568	595589364	/nfs/dbraw/zinc/58/93/64/595589364.db2.gz	HLTBRYAGTQFHRW-QFBILLFUSA-N	1	3	325.456	1.769	20	30		EDEDHO
C=C(Cl)C[C@@H](N)C(=O)N1CCC(OCC[NH+]2CCCC2)CC1	ZINC000876774393	597334482	/nfs/dbraw/zinc/33/44/82/597334482.db2.gz	UPCHCVLABYHXFS-OAHLLOKOSA-N	1	3	329.872	1.560	20	30		EDEDHO
C#CCCN1CC(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1	ZINC001031994066	702565590	/nfs/dbraw/zinc/56/55/90/702565590.db2.gz	KRQSRNRBNLHKQK-MOPGFXCFSA-N	1	3	325.456	1.403	20	30		EDEDHO
C#CCCN1CC(CNC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1	ZINC001031994066	702565592	/nfs/dbraw/zinc/56/55/92/702565592.db2.gz	KRQSRNRBNLHKQK-MOPGFXCFSA-N	1	3	325.456	1.403	20	30		EDEDHO
C#CCN1CCC(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CC2CC(C)C2)CC1	ZINC001032800664	708083513	/nfs/dbraw/zinc/08/35/13/708083513.db2.gz	TWIXCHRQKLJIQL-VHZYLWGESA-N	1	3	329.488	1.663	20	30		EDEDHO
C#CCN1CCC(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CC2CC(C)C2)CC1	ZINC001032800664	708083514	/nfs/dbraw/zinc/08/35/14/708083514.db2.gz	TWIXCHRQKLJIQL-VHZYLWGESA-N	1	3	329.488	1.663	20	30		EDEDHO
C=C(C)CC[NH+]1CCC(N(C)C(=O)[C@@H]2CN3CCC[C@@H]3CO2)CC1	ZINC001005427679	708983083	/nfs/dbraw/zinc/98/30/83/708983083.db2.gz	YIBHBCDQFQCKEH-MSOLQXFVSA-N	1	3	335.492	1.739	20	30		EDEDHO
C=C(C)CC[N@@H+]1CCCC[C@H](NC(=O)[C@H]2CN3CC4CC3(C4)CO2)C1	ZINC001034321127	709771263	/nfs/dbraw/zinc/77/12/63/709771263.db2.gz	RRPLUKLMQFJMPS-AGYKMIKPSA-N	1	3	347.503	1.787	20	30		EDEDHO
C=C(C)CC[N@H+]1CCCC[C@H](NC(=O)[C@H]2CN3CC4CC3(C4)CO2)C1	ZINC001034321127	709771266	/nfs/dbraw/zinc/77/12/66/709771266.db2.gz	RRPLUKLMQFJMPS-AGYKMIKPSA-N	1	3	347.503	1.787	20	30		EDEDHO
C=C(C)CN1CCCC[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1	ZINC001034435516	710008371	/nfs/dbraw/zinc/00/83/71/710008371.db2.gz	IEGVSHYBWAMISP-QGZVFWFLSA-N	1	3	333.480	1.605	20	30		EDEDHO
CN1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(C#N)c(F)c1	ZINC001034882661	711284028	/nfs/dbraw/zinc/28/40/28/711284028.db2.gz	DNBSYBNQIGTVGJ-SJLPKXTDSA-N	1	3	344.434	1.872	20	30		EDEDHO
C#CCSCCNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1	ZINC000154128456	442322790	/nfs/dbraw/zinc/32/27/90/442322790.db2.gz	VGMRRFRHSRVTPT-UHFFFAOYSA-N	1	3	338.521	1.211	20	30		EDEDHO
CC(C)(C)NC(=[NH2+])NCc1cccc(CN2CCC[C@@H](C(N)=O)C2)c1	ZINC000267395076	443442664	/nfs/dbraw/zinc/44/26/64/443442664.db2.gz	DTCXOEURQBKDAM-MRXNPFEDSA-N	1	3	345.491	1.587	20	30		EDEDHO
CCN1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(N2CC=CC2)cc1	ZINC000267414283	443448716	/nfs/dbraw/zinc/44/87/16/443448716.db2.gz	IWOIJFPEVMHUMM-GOSISDBHSA-N	1	3	327.476	1.951	20	30		EDEDHO
CCN1CCC[C@@H]1CNC(=[NH2+])NCc1cccc(N2CC=CC2)c1	ZINC000267445303	443460623	/nfs/dbraw/zinc/46/06/23/443460623.db2.gz	PWCRBZACSARMGU-GOSISDBHSA-N	1	3	327.476	1.951	20	30		EDEDHO
CCCCNC(=[NH2+])NCc1cccc(CN2CCC[C@H](C(N)=O)C2)c1	ZINC000267453864	443463166	/nfs/dbraw/zinc/46/31/66/443463166.db2.gz	SHMGYHDDVDVGBH-KRWDZBQOSA-N	1	3	345.491	1.588	20	30		EDEDHO
CN(CCC#N)C(=O)CCN1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1	ZINC000280372862	443705165	/nfs/dbraw/zinc/70/51/65/443705165.db2.gz	JLUPONPQYGIOAA-KDURUIRLSA-N	1	3	340.471	1.812	20	30		EDEDHO
CN(CCC#N)C(=O)CCN1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1	ZINC000280372862	443705168	/nfs/dbraw/zinc/70/51/68/443705168.db2.gz	JLUPONPQYGIOAA-KDURUIRLSA-N	1	3	340.471	1.812	20	30		EDEDHO
COCC[N@H+](C)CCCNC(=O)C(C#N)Cc1ccc(C#N)cc1	ZINC000280600398	443737713	/nfs/dbraw/zinc/73/77/13/443737713.db2.gz	FXZDSFNCHXXMOO-KRWDZBQOSA-N	1	3	328.416	1.325	20	30		EDEDHO
COCC[N@@H+](C)CCCNC(=O)C(C#N)Cc1ccc(C#N)cc1	ZINC000280600398	443737717	/nfs/dbraw/zinc/73/77/17/443737717.db2.gz	FXZDSFNCHXXMOO-KRWDZBQOSA-N	1	3	328.416	1.325	20	30		EDEDHO
CCN1CCC[C@H]1CNC(=[NH2+])NC[C@H]1CC(=O)Nc2ccccc21	ZINC000304807938	444253603	/nfs/dbraw/zinc/25/36/03/444253603.db2.gz	UEWRBOJYYAVKGR-KGLIPLIRSA-N	1	3	329.448	1.501	20	30		EDEDHO
C#CC[N@@H+](C)CCCNC(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000297083511	444272611	/nfs/dbraw/zinc/27/26/11/444272611.db2.gz	ZKXXAFDSKBYSBD-GOSISDBHSA-N	1	3	328.460	1.515	20	30		EDEDHO
C[NH+]1CCC(N2CCC(NC(=O)NC[C@@H]3CCCCO3)CC2)CC1	ZINC000328709962	444437021	/nfs/dbraw/zinc/43/70/21/444437021.db2.gz	AOYJKPULPVHYMZ-KRWDZBQOSA-N	1	3	338.496	1.618	20	30		EDEDHO
CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1cccc(C#N)n1	ZINC000583320594	326049777	/nfs/dbraw/zinc/04/97/77/326049777.db2.gz	DCTSKLVLGTYGBQ-INIZCTEOSA-N	1	3	344.463	1.833	20	30		EDEDHO
CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1cccc(C#N)n1	ZINC000583320594	326049779	/nfs/dbraw/zinc/04/97/79/326049779.db2.gz	DCTSKLVLGTYGBQ-INIZCTEOSA-N	1	3	344.463	1.833	20	30		EDEDHO
CN(C)[C@@H]1CCC[C@@H]([NH2+]C[C@@H](O)COc2ccc(CC#N)cc2)C1	ZINC000576816558	448145941	/nfs/dbraw/zinc/14/59/41/448145941.db2.gz	XJNBIJLYLISMLT-KZNAEPCWSA-N	1	3	331.460	1.955	20	30		EDEDHO
CN(CCC#N)C[C@@H](O)CNCc1ccc(C[NH+]2CCCC2)cc1	ZINC000574257795	448828701	/nfs/dbraw/zinc/82/87/01/448828701.db2.gz	ZFFULVUNXWJVGJ-IBGZPJMESA-N	1	3	330.476	1.578	20	30		EDEDHO
C=CCN1CCC(NC(=O)NC2CCC(N3CC[NH2+]CC3)CC2)CC1	ZINC000574262140	448829292	/nfs/dbraw/zinc/82/92/92/448829292.db2.gz	IJZGSIMRHMWGKF-UHFFFAOYSA-N	1	3	349.523	1.152	20	30		EDEDHO
C[C@@H]1[C@H](C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)CC[N@@H+]1C	ZINC000592755672	448971382	/nfs/dbraw/zinc/97/13/82/448971382.db2.gz	VVWBOTXCCLBELY-CRAIPNDOSA-N	1	3	328.460	1.789	20	30		EDEDHO
C[C@@H]1[C@H](C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)CC[N@H+]1C	ZINC000592755672	448971384	/nfs/dbraw/zinc/97/13/84/448971384.db2.gz	VVWBOTXCCLBELY-CRAIPNDOSA-N	1	3	328.460	1.789	20	30		EDEDHO
C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1cc(F)c(C#N)c(F)c1	ZINC000597941323	449151165	/nfs/dbraw/zinc/15/11/65/449151165.db2.gz	ABVBCKFMGGLTRF-LBPRGKRZSA-N	1	3	338.402	1.838	20	30		EDEDHO
C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1cc(F)c(C#N)c(F)c1	ZINC000597941323	449151167	/nfs/dbraw/zinc/15/11/67/449151167.db2.gz	ABVBCKFMGGLTRF-LBPRGKRZSA-N	1	3	338.402	1.838	20	30		EDEDHO
C[C@H](CC1(C#N)CCOCC1)[NH2+][C@@H]1CCN(C2CCN(C)CC2)C1	ZINC000602549438	449668265	/nfs/dbraw/zinc/66/82/65/449668265.db2.gz	VVQLQVTYOVMUKB-IAGOWNOFSA-N	1	3	334.508	1.843	20	30		EDEDHO
C[NH+]1CCC(N2CCC(Nc3cc(C#N)nc(C4CC4)n3)CC2)CC1	ZINC000601108372	449693321	/nfs/dbraw/zinc/69/33/21/449693321.db2.gz	FNONHFPEWUTSLO-UHFFFAOYSA-N	1	3	340.475	2.196	20	30		EDEDHO
CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NCC12CC(C1)C[NH2+]2	ZINC000595273329	449992640	/nfs/dbraw/zinc/99/26/40/449992640.db2.gz	LXNRCUSTHMBQDN-UHFFFAOYSA-N	1	3	341.459	1.383	20	30		EDEDHO
C[NH+](C)C[C@]1(O)CCCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C1	ZINC000597574015	450117857	/nfs/dbraw/zinc/11/78/57/450117857.db2.gz	LLMFBTZBVYMXAW-PKOBYXMFSA-N	1	3	340.427	1.156	20	30		EDEDHO
C=CC[C@@]1(C(=O)NCc2ccc(OCCN(C)C)cc2)CCC[NH2+]1	ZINC000662675315	453392907	/nfs/dbraw/zinc/39/29/07/453392907.db2.gz	KZHDAYPXZZBOHH-IBGZPJMESA-N	1	3	331.460	1.942	20	30		EDEDHO
CN(CC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)C1CCC1	ZINC000900245818	591957633	/nfs/dbraw/zinc/95/76/33/591957633.db2.gz	MLNVTBDNLQSERF-UHFFFAOYSA-N	1	3	328.460	1.933	20	30		EDEDHO
C#CCN1CCC[C@H]1C(=O)N1CCC[N@@H+](C2CCN(CC)CC2)CC1	ZINC000817658486	593620398	/nfs/dbraw/zinc/62/03/98/593620398.db2.gz	DWVTWGFNWKWYAX-IBGZPJMESA-N	1	3	346.519	1.103	20	30		EDEDHO
C#CCN1CCC[C@H]1C(=O)N1CCC[N@H+](C2CCN(CC)CC2)CC1	ZINC000817658486	593620399	/nfs/dbraw/zinc/62/03/99/593620399.db2.gz	DWVTWGFNWKWYAX-IBGZPJMESA-N	1	3	346.519	1.103	20	30		EDEDHO
N#CCCC[C@@H](N)C(=O)Nc1ccc(C(=O)OC2CC[NH2+]CC2)cc1	ZINC000818538567	593703911	/nfs/dbraw/zinc/70/39/11/593703911.db2.gz	OATWBWVWMFVCRO-MRXNPFEDSA-N	1	3	344.415	1.555	20	30		EDEDHO
CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)C#CC1CC[NH2+]CC1	ZINC000852880406	595595964	/nfs/dbraw/zinc/59/59/64/595595964.db2.gz	MVYZKTANEVDMSA-UHFFFAOYSA-N	1	3	349.425	1.858	20	30		EDEDHO
CN(C)CCN(Cc1ccc(F)cc1)C(=O)C#CC1CC[NH2+]CC1	ZINC000852884228	595597739	/nfs/dbraw/zinc/59/77/39/595597739.db2.gz	VWCKKIDIXAXMPW-UHFFFAOYSA-N	1	3	331.435	1.719	20	30		EDEDHO
C=CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CN3CC4CC3(C4)CO2)C(C)(C)C1	ZINC000940902164	700976971	/nfs/dbraw/zinc/97/69/71/700976971.db2.gz	YATMUXNUGYISKA-RXCRORICSA-N	1	3	347.503	1.642	20	30		EDEDHO
C=CCC[N@H+]1CC[C@H](NC(=O)[C@H]2CN3CC4CC3(C4)CO2)C(C)(C)C1	ZINC000940902164	700976972	/nfs/dbraw/zinc/97/69/72/700976972.db2.gz	YATMUXNUGYISKA-RXCRORICSA-N	1	3	347.503	1.642	20	30		EDEDHO
C#CCN1CCC(C(=O)N2CCC([NH2+]Cc3ccccn3)CC2)CC1	ZINC000997365417	703599287	/nfs/dbraw/zinc/59/92/87/703599287.db2.gz	URVRRHBXXPTPFH-UHFFFAOYSA-N	1	3	340.471	1.507	20	30		EDEDHO
CC#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CN4CCC[C@H]4CO3)CC[C@@H]2C1	ZINC000946597964	704309118	/nfs/dbraw/zinc/30/91/18/704309118.db2.gz	SCUQFUNPLFROKZ-RDGPPVDQSA-N	1	3	345.487	1.043	20	30		EDEDHO
CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CN4CCC[C@H]4CO3)CC[C@@H]2C1	ZINC000946597964	704309122	/nfs/dbraw/zinc/30/91/22/704309122.db2.gz	SCUQFUNPLFROKZ-RDGPPVDQSA-N	1	3	345.487	1.043	20	30		EDEDHO
C#CCN1CCC(C(=O)N[C@@H](C)C2CC[NH+](CCOC)CC2)CC1	ZINC000997874769	704781878	/nfs/dbraw/zinc/78/18/78/704781878.db2.gz	QYHOLBNBFCBKEK-INIZCTEOSA-N	1	3	335.492	1.195	20	30		EDEDHO
C=CCNC(=[NH2+])NCCCCN1CCN(c2cccc(C)c2)CC1	ZINC000264098910	249333567	/nfs/dbraw/zinc/33/35/67/249333567.db2.gz	NKULTBVKWOUNSH-UHFFFAOYSA-N	1	3	329.492	1.988	20	30		EDEDHO
CCN1CCN(Cc2ccc(CNC(=[NH2+])NCC(C)C)cc2)CC1	ZINC000264093862	249333611	/nfs/dbraw/zinc/33/36/11/249333611.db2.gz	LZOZBFUVGIIAGS-UHFFFAOYSA-N	1	3	331.508	1.884	20	30		EDEDHO
N#Cc1ccc(CNC2CC[NH+](CCN3CCOCC3)CC2)cc1F	ZINC000358305000	151331203	/nfs/dbraw/zinc/33/12/03/151331203.db2.gz	HENZEXZQMJWPOS-UHFFFAOYSA-N	1	3	346.450	1.584	20	30		EDEDHO
CN(C)CCn1ccc(NC(=O)N(CCC#N)CCC[NH+](C)C)n1	ZINC000120566955	442096136	/nfs/dbraw/zinc/09/61/36/442096136.db2.gz	JBVMRGUZOQOFSH-UHFFFAOYSA-N	1	3	335.456	1.144	20	30		EDEDHO
CCN1CCC[C@@H]1CNC(=[NH2+])NCC(=O)N(C)Cc1ccccc1	ZINC000170913628	442287848	/nfs/dbraw/zinc/28/78/48/442287848.db2.gz	WRPNUAGTUAFRNT-MRXNPFEDSA-N	1	3	331.464	1.034	20	30		EDEDHO
C#CCN1CCC(C(=O)NC[C@H](C)[N@H+](C)Cc2ccccc2)CC1	ZINC000264645860	443359734	/nfs/dbraw/zinc/35/97/34/443359734.db2.gz	HHFLLPANGLRORZ-KRWDZBQOSA-N	1	3	327.472	1.968	20	30		EDEDHO
C#CCN1CCC(C(=O)NC[C@H](C)[N@@H+](C)Cc2ccccc2)CC1	ZINC000264645860	443359738	/nfs/dbraw/zinc/35/97/38/443359738.db2.gz	HHFLLPANGLRORZ-KRWDZBQOSA-N	1	3	327.472	1.968	20	30		EDEDHO
COc1ccc(CNC(=[NH2+])NCCN(C)C2CCCC2)cc1OC	ZINC000267443706	443459311	/nfs/dbraw/zinc/45/93/11/443459311.db2.gz	PRJAGTRKSSIYJZ-UHFFFAOYSA-N	1	3	334.464	1.983	20	30		EDEDHO
C[C@@H]1C[NH+]=C(NCCCCN2CCN(Cc3ccccc3)CC2)N1	ZINC000284962284	443799267	/nfs/dbraw/zinc/79/92/67/443799267.db2.gz	FLONGLTUNHSQIY-QGZVFWFLSA-N	1	3	329.492	1.522	20	30		EDEDHO
CN1CCC(C[NH2+]Cc2cc(C#N)cs2)(N2CCOCC2)CC1	ZINC000562738284	321074925	/nfs/dbraw/zinc/07/49/25/321074925.db2.gz	ALHOBVPWIQUTFE-UHFFFAOYSA-N	1	3	334.489	1.506	20	30		EDEDHO
C[C@@H](CNC(=O)N1CCC([N@H+](C)CCO)CC1)N1CCC[C@@H](C)C1	ZINC000331143476	444415140	/nfs/dbraw/zinc/41/51/40/444415140.db2.gz	YJDYBNDFXRAQDA-CVEARBPZSA-N	1	3	340.512	1.409	20	30		EDEDHO
C[C@@H](CNC(=O)N1CCC([N@@H+](C)CCO)CC1)N1CCC[C@@H](C)C1	ZINC000331143476	444415143	/nfs/dbraw/zinc/41/51/43/444415143.db2.gz	YJDYBNDFXRAQDA-CVEARBPZSA-N	1	3	340.512	1.409	20	30		EDEDHO
O=C(NCCN1CCCCC1)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1	ZINC000330170836	444872010	/nfs/dbraw/zinc/87/20/10/444872010.db2.gz	DXIWMFXHMUYLHA-IAGOWNOFSA-N	1	3	338.496	1.354	20	30		EDEDHO
CN(C)[C@@H]1CCN(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)C1	ZINC000330233795	444899956	/nfs/dbraw/zinc/89/99/56/444899956.db2.gz	SHQPOHSLLAPDGP-BRWVUGGUSA-N	1	3	338.496	1.304	20	30		EDEDHO
CC(C)[NH+]1CCC(O)(CNCc2cnc3ccc(C#N)cn23)CC1	ZINC000344680671	445124625	/nfs/dbraw/zinc/12/46/25/445124625.db2.gz	ZLYSTYZGWNSKFE-UHFFFAOYSA-N	1	3	327.432	1.531	20	30		EDEDHO
C[C@H]([NH2+]CCCCN1CCN(CCO)CC1)c1ccc(C#N)cc1F	ZINC000358574269	445657790	/nfs/dbraw/zinc/65/77/90/445657790.db2.gz	RSEUAQAZUPOPFE-INIZCTEOSA-N	1	3	348.466	1.738	20	30		EDEDHO
C#CCN1CCC(C(=O)N2C[C@H](C[NH+](C)C)Oc3ccccc32)CC1	ZINC000366166468	446055794	/nfs/dbraw/zinc/05/57/94/446055794.db2.gz	YPRSTIORQMZGGF-KRWDZBQOSA-N	1	3	341.455	1.687	20	30		EDEDHO
C(#CC[N@@H+]1CC[C@@]2(C1)CCCOC2)CN1CC[C@@]2(C1)CCCOC2	ZINC000375290819	446696819	/nfs/dbraw/zinc/69/68/19/446696819.db2.gz	CRSCQCXXDGSZJI-WOJBJXKFSA-N	1	3	332.488	1.995	20	30		EDEDHO
C(#CC[N@H+]1CC[C@@]2(C1)CCCOC2)CN1CC[C@@]2(C1)CCCOC2	ZINC000375290819	446696823	/nfs/dbraw/zinc/69/68/23/446696823.db2.gz	CRSCQCXXDGSZJI-WOJBJXKFSA-N	1	3	332.488	1.995	20	30		EDEDHO
COc1cc(C[NH2+]CCCCN2CCN(CCO)CC2)ccc1C#N	ZINC000440807286	446855951	/nfs/dbraw/zinc/85/59/51/446855951.db2.gz	JGARMIOSNABDQL-UHFFFAOYSA-N	1	3	346.475	1.047	20	30		EDEDHO
C#CCNC(=O)CCNC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1	ZINC000491750350	448104309	/nfs/dbraw/zinc/10/43/09/448104309.db2.gz	WHQNLMZSHMGTQR-YQQQUEKLSA-N	1	3	325.456	1.911	20	30		EDEDHO
C#CCNC(=O)CCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1	ZINC000491750350	448104313	/nfs/dbraw/zinc/10/43/13/448104313.db2.gz	WHQNLMZSHMGTQR-YQQQUEKLSA-N	1	3	325.456	1.911	20	30		EDEDHO
CCCN1CC[C@H](C[NH2+]C[C@H](O)COc2ccc(CC#N)cc2)C1	ZINC000566108131	448390395	/nfs/dbraw/zinc/39/03/95/448390395.db2.gz	CVHYSSUAPPUUIS-MSOLQXFVSA-N	1	3	331.460	1.814	20	30		EDEDHO
C=CCN1CCC(NC(=O)N2CCc3ccccc3[C@@H]2C[NH3+])CC1	ZINC000584408876	448515781	/nfs/dbraw/zinc/51/57/81/448515781.db2.gz	HYGZDUTXWIIWJW-SFHVURJKSA-N	1	3	328.460	1.905	20	30		EDEDHO
C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)[C@H](N)CCCCC#N)CC1	ZINC000594437451	449516090	/nfs/dbraw/zinc/51/60/90/449516090.db2.gz	JUYKRZGCQCEQCY-FGTMMUONSA-N	1	3	349.523	1.415	20	30		EDEDHO
C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)[C@H](N)CCCCC#N)CC1	ZINC000594437451	449516093	/nfs/dbraw/zinc/51/60/93/449516093.db2.gz	JUYKRZGCQCEQCY-FGTMMUONSA-N	1	3	349.523	1.415	20	30		EDEDHO
C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)[C@H](N)CCCCC#N)CC1	ZINC000594437465	449517147	/nfs/dbraw/zinc/51/71/47/449517147.db2.gz	JUYKRZGCQCEQCY-KZNAEPCWSA-N	1	3	349.523	1.415	20	30		EDEDHO
N#CCCCC[C@@H](N)C(=O)N1CCC(OCC[NH+]2CCCC2)CC1	ZINC000594439053	449518395	/nfs/dbraw/zinc/51/83/95/449518395.db2.gz	NGCZAWKVQIMZMD-QGZVFWFLSA-N	1	3	336.480	1.501	20	30		EDEDHO
C=CC[C@@]1(C(=O)NCc2cccc(OCCN(C)C)c2)CCC[NH2+]1	ZINC000662675913	453394519	/nfs/dbraw/zinc/39/45/19/453394519.db2.gz	QMOHBXMOYKEKOG-IBGZPJMESA-N	1	3	331.460	1.942	20	30		EDEDHO
CN1CCN(c2ccc(C=[NH+]NCCCN3CCOCC3)cc2)CC1	ZINC000799488123	581029220	/nfs/dbraw/zinc/02/92/20/581029220.db2.gz	NSZKKSIKWBMTOK-UHFFFAOYSA-N	1	3	345.491	1.084	20	30		EDEDHO
CC[NH+]1CCC(N2CCC(C(=O)Nc3cnn(CC#N)c3)CC2)CC1	ZINC000847408109	595413284	/nfs/dbraw/zinc/41/32/84/595413284.db2.gz	HTOBKRVGXAAIID-UHFFFAOYSA-N	1	3	344.463	1.541	20	30		EDEDHO
C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)C#CC2CC[NH2+]CC2)C1	ZINC000852862649	595583227	/nfs/dbraw/zinc/58/32/27/595583227.db2.gz	ICTHLHHCZCALFB-QFBILLFUSA-N	1	3	325.456	1.941	20	30		EDEDHO
CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](C[C@@H](C)O)c1ccccc1	ZINC000122385580	596380616	/nfs/dbraw/zinc/38/06/16/596380616.db2.gz	PKOLPSVVVSLZNC-KBAYOESNSA-N	1	3	332.492	1.930	20	30		EDEDHO
CN(C)[C@@H](CNC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N)c1ccccc1	ZINC000884177081	598015762	/nfs/dbraw/zinc/01/57/62/598015762.db2.gz	ZVNVESYIIUPJRD-ISXWCOSWSA-N	1	3	326.444	1.545	20	30		EDEDHO
N#C[C@H]1C[NH2+]CC12CC(C(=O)N1CCN(C3CCCCC3)CC1)C2	ZINC000884305736	598060391	/nfs/dbraw/zinc/06/03/91/598060391.db2.gz	GHJIZYHQCPTKCH-WUJZJPHMSA-N	1	3	330.476	1.603	20	30		EDEDHO
C#CCN(C(=O)N[C@H](C)C[N@@H+]1CCC[C@@H](C)C1)C1CCN(C)CC1	ZINC000914342038	695366662	/nfs/dbraw/zinc/36/66/62/695366662.db2.gz	VEYJJKXVTAPDIF-IAGOWNOFSA-N	1	3	334.508	1.846	20	30		EDEDHO
C#CCN(C(=O)N[C@H](C)C[N@H+]1CCC[C@@H](C)C1)C1CCN(C)CC1	ZINC000914342038	695366664	/nfs/dbraw/zinc/36/66/64/695366664.db2.gz	VEYJJKXVTAPDIF-IAGOWNOFSA-N	1	3	334.508	1.846	20	30		EDEDHO
CC#CCN1CC[C@@H](NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C(C)(C)C1	ZINC000940901836	700976569	/nfs/dbraw/zinc/97/65/69/700976569.db2.gz	QXZIHSNPFLCLRM-MUZJZNNISA-N	1	3	345.487	1.090	20	30		EDEDHO
CC#CCN1CC[C@@H](NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C(C)(C)C1	ZINC000940901836	700976571	/nfs/dbraw/zinc/97/65/71/700976571.db2.gz	QXZIHSNPFLCLRM-MUZJZNNISA-N	1	3	345.487	1.090	20	30		EDEDHO
C[N@@H+]1CC[C@H](C(=O)N2C[C@H](NCc3ccc(C#N)s3)C(C)(C)C2)C1	ZINC000996607554	702910598	/nfs/dbraw/zinc/91/05/98/702910598.db2.gz	CRNCPJHWUBAXJA-BBRMVZONSA-N	1	3	346.500	1.898	20	30		EDEDHO
C[N@H+]1CC[C@H](C(=O)N2C[C@H](NCc3ccc(C#N)s3)C(C)(C)C2)C1	ZINC000996607554	702910599	/nfs/dbraw/zinc/91/05/99/702910599.db2.gz	CRNCPJHWUBAXJA-BBRMVZONSA-N	1	3	346.500	1.898	20	30		EDEDHO
C=CC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CN3CC4CC3(C4)CO2)CC1	ZINC000997229197	703504855	/nfs/dbraw/zinc/50/48/55/703504855.db2.gz	UOMUCKYHNBJFQY-PSPFXIJKSA-N	1	3	333.476	1.252	20	30		EDEDHO
C#CCN1CCC(C(=O)N2CCC([NH2+]Cc3cnoc3C)CC2)CC1	ZINC000997365837	703599419	/nfs/dbraw/zinc/59/94/19/703599419.db2.gz	VMKVHWIVQBZCNX-UHFFFAOYSA-N	1	3	344.459	1.409	20	30		EDEDHO
C#CCC[NH+]1CCC([C@H](C)NC(=O)C2CCN(CC#C)CC2)CC1	ZINC000997873966	704778815	/nfs/dbraw/zinc/77/88/15/704778815.db2.gz	IKRKRHLZDSNHNG-KRWDZBQOSA-N	1	3	329.488	1.572	20	30		EDEDHO
C=CCN[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)CC[C@H]1C(F)(F)F	ZINC000998305746	705709670	/nfs/dbraw/zinc/70/96/70/705709670.db2.gz	SHNVGDHDOYEOEW-OLZOCXBDSA-N	1	3	331.382	1.637	20	30		EDEDHO
CN(C)[C@@H](C(=O)N1CCC[C@H]([NH2+]Cc2ccc(C#N)cc2)C1)C1CC1	ZINC000999369064	706883045	/nfs/dbraw/zinc/88/30/45/706883045.db2.gz	IPNGRCXXCGGBQT-RBUKOAKNSA-N	1	3	340.471	1.979	20	30		EDEDHO
C#CCN1CCC(C(=O)N(C)[C@@H]2CC[N@H+](C[C@@H]3CCCCO3)C2)CC1	ZINC001033684361	708497172	/nfs/dbraw/zinc/49/71/72/708497172.db2.gz	NOXRDKGVOZPVDZ-MOPGFXCFSA-N	1	3	347.503	1.433	20	30		EDEDHO
C#CCN1CCC(C(=O)N(C)[C@@H]2CC[N@@H+](C[C@@H]3CCCCO3)C2)CC1	ZINC001033684361	708497176	/nfs/dbraw/zinc/49/71/76/708497176.db2.gz	NOXRDKGVOZPVDZ-MOPGFXCFSA-N	1	3	347.503	1.433	20	30		EDEDHO
C=C(C)CC[NH+]1CCC(NC(=O)[C@@H]2CN3CC4CC3(C4)CO2)CC1	ZINC001003330753	710265312	/nfs/dbraw/zinc/26/53/12/710265312.db2.gz	CLTGNIHXTJPKJU-RMXPPQQLSA-N	1	3	333.476	1.396	20	30		EDEDHO
C[NH+]1CCC(N2CCC(NC(=O)N[C@H]3CCC[C@@H]3C#N)CC2)CC1	ZINC000332875903	539611069	/nfs/dbraw/zinc/61/10/69/539611069.db2.gz	ACYCIIDSCGKTMU-PBHICJAKSA-N	1	3	333.480	1.536	20	30		EDEDHO
N#CCCC[C@H](N)C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1	ZINC000424152934	252144941	/nfs/dbraw/zinc/14/49/41/252144941.db2.gz	JJZUQTNTVYZNTR-ROUUACIJSA-N	1	3	328.460	1.688	20	30		EDEDHO
N#CCCC[C@H](N)C(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1	ZINC000424152934	252144945	/nfs/dbraw/zinc/14/49/45/252144945.db2.gz	JJZUQTNTVYZNTR-ROUUACIJSA-N	1	3	328.460	1.688	20	30		EDEDHO
COc1ccc([C@@H](CN2CCCC2)NC(=O)[C@H]([NH3+])CCCC#N)cc1	ZINC000424168974	252151735	/nfs/dbraw/zinc/15/17/35/252151735.db2.gz	HCMOUCLPRABOGC-QZTJIDSGSA-N	1	3	344.459	1.969	20	30		EDEDHO
C[C@H](C(=O)Nc1ccccc1C#N)N(C)CCCN(C)CC[NH+](C)C	ZINC000289399816	267141156	/nfs/dbraw/zinc/14/11/56/267141156.db2.gz	KWJLCZSJGPWMQL-MRXNPFEDSA-N	1	3	345.491	1.701	20	30		EDEDHO
CCN1CCC[C@H]1CNC(=[NH2+])NCc1cn(C)nc1C(F)(F)F	ZINC000160796982	441921499	/nfs/dbraw/zinc/92/14/99/441921499.db2.gz	HFFOIBBUXPPMHS-NSHDSACASA-N	1	3	332.374	1.328	20	30		EDEDHO
CCN1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(OCCCOC)cc1	ZINC000285030968	443828910	/nfs/dbraw/zinc/82/89/10/443828910.db2.gz	JYSTZXPSYJSPID-QGZVFWFLSA-N	1	3	348.491	1.991	20	30		EDEDHO
CCOC(=O)N1CCC(NC(=[NH2+])NCCN2CCC[C@@H](C)C2)CC1	ZINC000303901209	444238200	/nfs/dbraw/zinc/23/82/00/444238200.db2.gz	SOALMWPDUCSPGX-CQSZACIVSA-N	1	3	339.484	1.244	20	30		EDEDHO
C=CCN1CCC(NC(=O)N2CCC[N@@H+](CC(C)(C)O)CC2)CC1	ZINC000368752472	447085684	/nfs/dbraw/zinc/08/56/84/447085684.db2.gz	ZUNBXKPQPNOKHA-UHFFFAOYSA-N	1	3	338.496	1.125	20	30		EDEDHO
C=CCN1CCC(NC(=O)N2CCC[N@H+](CC(C)(C)O)CC2)CC1	ZINC000368752472	447085690	/nfs/dbraw/zinc/08/56/90/447085690.db2.gz	ZUNBXKPQPNOKHA-UHFFFAOYSA-N	1	3	338.496	1.125	20	30		EDEDHO
CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CCCC[NH2+]C1	ZINC000418367662	517904639	/nfs/dbraw/zinc/90/46/39/517904639.db2.gz	KYQJIGCECQCODJ-SFHVURJKSA-N	1	3	343.475	1.774	20	30		EDEDHO
N#CC1CCC(CN2CC[C@H]3[C@@H](C2)NC(=O)N3C2CC[NH2+]CC2)CC1	ZINC000903459098	592171595	/nfs/dbraw/zinc/17/15/95/592171595.db2.gz	BGFNRUXWGQEABB-UQVLAFNGSA-N	1	3	345.491	1.536	20	30		EDEDHO
C#Cc1ccc(C[NH2+]CC2(N3CCOCC3)CCN(C)CC2)cc1	ZINC000840954518	594832075	/nfs/dbraw/zinc/83/20/75/594832075.db2.gz	GDQPPQSOTZUJHZ-UHFFFAOYSA-N	1	3	327.472	1.554	20	30		EDEDHO
CN(CCNC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N)Cc1ccccc1	ZINC000884199730	598025657	/nfs/dbraw/zinc/02/56/57/598025657.db2.gz	IDIQOJUKBMNQHZ-TVRKMHQQSA-N	1	3	326.444	1.374	20	30		EDEDHO
C=C(C)CN1CCC[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@H]1C	ZINC000993359892	696005844	/nfs/dbraw/zinc/00/58/44/696005844.db2.gz	DSEQIIMKZDBIDU-HZPDHXFCSA-N	1	3	333.480	1.604	20	30		EDEDHO
C=C(C)CCN1CC(N2CCN(C(=O)[C@@H]3CCC[N@H+]3CCC)CC2)C1	ZINC000941431964	701538272	/nfs/dbraw/zinc/53/82/72/701538272.db2.gz	YDPXIAPGUZQXJJ-IBGZPJMESA-N	1	3	348.535	1.655	20	30		EDEDHO
C=C(C)CCN1CC(N2CCN(C(=O)[C@@H]3CCC[N@@H+]3CCC)CC2)C1	ZINC000941431964	701538273	/nfs/dbraw/zinc/53/82/73/701538273.db2.gz	YDPXIAPGUZQXJJ-IBGZPJMESA-N	1	3	348.535	1.655	20	30		EDEDHO
C#CCN1CCC(C(=O)NCC2C[NH+](CCC3CCOCC3)C2)CC1	ZINC001032207442	702190156	/nfs/dbraw/zinc/19/01/56/702190156.db2.gz	RIMZMODOGOKKCA-UHFFFAOYSA-N	1	3	347.503	1.196	20	30		EDEDHO
C=CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CN4CCC[C@@H]4CO3)CC[C@@H]2C1	ZINC000946597684	704292758	/nfs/dbraw/zinc/29/27/58/704292758.db2.gz	GIRMKLKTDZJNNX-XDNAFOTISA-N	1	3	333.476	1.206	20	30		EDEDHO
C=CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CN4CCC[C@@H]4CO3)CC[C@@H]2C1	ZINC000946597684	704292759	/nfs/dbraw/zinc/29/27/59/704292759.db2.gz	GIRMKLKTDZJNNX-XDNAFOTISA-N	1	3	333.476	1.206	20	30		EDEDHO
CN(CCNC(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)C1CC1	ZINC000329300017	282379611	/nfs/dbraw/zinc/37/96/11/282379611.db2.gz	VISXOZNPZVLVRU-IAGOWNOFSA-N	1	3	338.496	1.352	20	30		EDEDHO
[NH2+]=C(NCCCN1CCC(O)CC1)N[C@@H]1CCOc2ccccc21	ZINC000083031564	441347687	/nfs/dbraw/zinc/34/76/87/441347687.db2.gz	HLUCOBAESMIYSL-MRXNPFEDSA-N	1	3	332.448	1.261	20	30		EDEDHO
Cn1cc(C[NH2+]Cc2ccc(CN3CCN(C)CC3)cc2)cc1C#N	ZINC000190803828	443186411	/nfs/dbraw/zinc/18/64/11/443186411.db2.gz	NPDBJESUEJFFAJ-UHFFFAOYSA-N	1	3	337.471	1.934	20	30		EDEDHO
CC(C)[C@H](CNC(=[NH2+])N1CCN(c2ncccn2)CC1)N1CCCC1	ZINC000264063577	443247536	/nfs/dbraw/zinc/24/75/36/443247536.db2.gz	DLFAEGPTWBPKPN-INIZCTEOSA-N	1	3	345.495	1.034	20	30		EDEDHO
CCN1CCC[C@H]1CNC(=[NH2+])NC[C@@H](O)c1ccc(Cl)c(F)c1	ZINC000270579599	443476401	/nfs/dbraw/zinc/47/64/01/443476401.db2.gz	PSFWVCBVQHXMMQ-SWLSCSKDSA-N	1	3	342.846	1.901	20	30		EDEDHO
C=CCN(CC=C)[C@H](CNC(=O)NC[C@](C)(O)C[NH+](C)C)C(C)C	ZINC000269935416	443456176	/nfs/dbraw/zinc/45/61/76/443456176.db2.gz	VGFKEDSOHZJZNQ-AEFFLSMTSA-N	1	3	340.512	1.297	20	30		EDEDHO
CCN1CCC[C@@H]1CNC(=[NH2+])NCc1ccnc(-n2ccnc2)c1	ZINC000303972986	444238275	/nfs/dbraw/zinc/23/82/75/444238275.db2.gz	GGPNPNHEARHLHW-OAHLLOKOSA-N	1	3	327.436	1.156	20	30		EDEDHO
C[C@@H]1C[C@H](NC(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)CCN1C	ZINC000329770580	444710756	/nfs/dbraw/zinc/71/07/56/444710756.db2.gz	IYLMFKLOKJKZAX-BFYDXBDKSA-N	1	3	338.496	1.474	20	30		EDEDHO
C[C@H]1C[N@H+](C)C[C@H]1C(=O)N(CCN(C)C)Cc1cccc(C#N)c1	ZINC000362697809	445505240	/nfs/dbraw/zinc/50/52/40/445505240.db2.gz	FIICPROMOZKZGM-MAUKXSAKSA-N	1	3	328.460	1.646	20	30		EDEDHO
C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N(CCN(C)C)Cc1cccc(C#N)c1	ZINC000362697809	445505244	/nfs/dbraw/zinc/50/52/44/445505244.db2.gz	FIICPROMOZKZGM-MAUKXSAKSA-N	1	3	328.460	1.646	20	30		EDEDHO
CC(C)[C@@H]([NH3+])CNC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1	ZINC000418397145	446528367	/nfs/dbraw/zinc/52/83/67/446528367.db2.gz	DBGXYEXEVGXIBO-KRWDZBQOSA-N	1	3	331.464	1.615	20	30		EDEDHO
C=C[C@@H]1OCCC[C@H]1C(=O)N(CCN(C)C)C[C@H]1CCC[N@H+]1CC	ZINC000424498454	446885469	/nfs/dbraw/zinc/88/54/69/446885469.db2.gz	AXXHZYDAYNGCEX-KURKYZTESA-N	1	3	337.508	1.842	20	30		EDEDHO
C=C[C@@H]1OCCC[C@H]1C(=O)N(CCN(C)C)C[C@H]1CCC[N@@H+]1CC	ZINC000424498454	446885475	/nfs/dbraw/zinc/88/54/75/446885475.db2.gz	AXXHZYDAYNGCEX-KURKYZTESA-N	1	3	337.508	1.842	20	30		EDEDHO
C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)[C@H](N)CCCCC#N)CC1	ZINC000594437021	449516207	/nfs/dbraw/zinc/51/62/07/449516207.db2.gz	SHXVGJYNNMGKBP-IAGOWNOFSA-N	1	3	335.496	1.026	20	30		EDEDHO
C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)[C@H](N)CCCCC#N)CC1	ZINC000594437021	449516211	/nfs/dbraw/zinc/51/62/11/449516211.db2.gz	SHXVGJYNNMGKBP-IAGOWNOFSA-N	1	3	335.496	1.026	20	30		EDEDHO
C=CCN(CC=C)[C@H](CNC(=O)N1CCO[C@H]([C@@H](C)[NH3+])C1)C(C)C	ZINC000669385715	486021660	/nfs/dbraw/zinc/02/16/60/486021660.db2.gz	PSTXFPGJPAKTCU-ZACQAIPSSA-N	1	3	338.496	1.443	20	30		EDEDHO
CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](C)N1CCc2sccc2C1	ZINC000104173572	529073224	/nfs/dbraw/zinc/07/32/24/529073224.db2.gz	UBSLUSVYDSFKEK-GDBMZVCRSA-N	1	3	349.548	1.883	20	30		EDEDHO
CCN1CCN(CCCCNC(=[NH2+])Nc2ccc(OC)cc2)CC1	ZINC000264105504	535686452	/nfs/dbraw/zinc/68/64/52/535686452.db2.gz	PIDNUFGSGGEQBR-UHFFFAOYSA-N	1	3	333.480	1.840	20	30		EDEDHO
C=CCN(CC=C)[C@H](CNC(=O)C[C@@]1(O)CCC[N@H+](C)C1)C(C)C	ZINC000900691457	592096301	/nfs/dbraw/zinc/09/63/01/592096301.db2.gz	YAYLROXDYCJKSF-MJGOQNOKSA-N	1	3	337.508	1.648	20	30		EDEDHO
C=CCN(CC=C)[C@H](CNC(=O)C[C@@]1(O)CCC[N@@H+](C)C1)C(C)C	ZINC000900691457	592096304	/nfs/dbraw/zinc/09/63/04/592096304.db2.gz	YAYLROXDYCJKSF-MJGOQNOKSA-N	1	3	337.508	1.648	20	30		EDEDHO
N#C[C@@H]1C[NH2+]CC12CC(c1nc(CC3=N[C@@H]4CCCC[C@H]4N3)no1)C2	ZINC000904098582	592425062	/nfs/dbraw/zinc/42/50/62/592425062.db2.gz	CBBUXYYJGHNJDA-NPGPETNGSA-N	1	3	340.431	1.532	20	30		EDEDHO
CCN1C[C@]2(C[C@@H](O)[C@H]([NH2+]C[C@@H](O)CC3(C#N)CC3)C2)[C@H]1C(C)C	ZINC000905501897	592546039	/nfs/dbraw/zinc/54/60/39/592546039.db2.gz	IENXDIIFJUSBRY-BMGDNIKJSA-N	1	3	335.492	1.501	20	30		EDEDHO
C[C@@H]1CCN(CC(=O)N2CCC([NH2+]Cc3ccc(C#N)cc3)CC2)C1	ZINC000997007897	703265003	/nfs/dbraw/zinc/26/50/03/703265003.db2.gz	ROQAMVHKSPSFEZ-MRXNPFEDSA-N	1	3	340.471	1.981	20	30		EDEDHO
C[N@@H+]1CC[C@@H](CC(=O)N2CCC(NCc3ccccc3C#N)CC2)C1	ZINC000997187973	703477715	/nfs/dbraw/zinc/47/77/15/703477715.db2.gz	YFSRPIKYOLIWDI-INIZCTEOSA-N	1	3	340.471	1.981	20	30		EDEDHO
C[N@H+]1CC[C@@H](CC(=O)N2CCC(NCc3ccccc3C#N)CC2)C1	ZINC000997187973	703477716	/nfs/dbraw/zinc/47/77/16/703477716.db2.gz	YFSRPIKYOLIWDI-INIZCTEOSA-N	1	3	340.471	1.981	20	30		EDEDHO
C#CCN1CCC(C(=O)NC2CC[NH+](CC[C@H]3CCCO3)CC2)CC1	ZINC001004200542	703926992	/nfs/dbraw/zinc/92/69/92/703926992.db2.gz	CMMKLNICSZOHMN-LJQANCHMSA-N	1	3	347.503	1.481	20	30		EDEDHO
N#Cc1cccc(C[NH2+]CC2CCN(C(=O)Cc3c[nH]cn3)CC2)c1	ZINC000998114440	705364804	/nfs/dbraw/zinc/36/48/04/705364804.db2.gz	HJLFDTIGZPFRBW-UHFFFAOYSA-N	1	3	337.427	1.852	20	30		EDEDHO
COc1ccc([C@@H]2CC[NH2+]C[C@H]2NC(=O)[C@H](N)CCCC#N)cc1	ZINC000424154626	252148108	/nfs/dbraw/zinc/14/81/08/252148108.db2.gz	MSHOMHAMWWZWBY-GVDBMIGSSA-N	1	3	330.432	1.278	20	30		EDEDHO
CN1CCC([C@@H]2CC[N@H+](C[C@@H]3CNc4c(C#N)cnn4C3)C2)CC1	ZINC000518188170	267334505	/nfs/dbraw/zinc/33/45/05/267334505.db2.gz	ZPZFEBIXWGXPHM-GOEBONIOSA-N	1	3	328.464	1.460	20	30		EDEDHO
CN1CCC([C@@H]2CC[N@@H+](C[C@@H]3CNc4c(C#N)cnn4C3)C2)CC1	ZINC000518188170	267334507	/nfs/dbraw/zinc/33/45/07/267334507.db2.gz	ZPZFEBIXWGXPHM-GOEBONIOSA-N	1	3	328.464	1.460	20	30		EDEDHO
CCN1CCC[C@H]1CNC(=[NH2+])NC[C@@H]1CCCN(c2ncccn2)C1	ZINC000093887805	441900154	/nfs/dbraw/zinc/90/01/54/441900154.db2.gz	JTXYVNXHNDAIBL-HOTGVXAUSA-N	1	3	345.495	1.082	20	30		EDEDHO
C=CCN(CC=C)[C@H](CNC(=O)C1(COC)CC[NH2+]CC1)C(C)C	ZINC000279957790	443649860	/nfs/dbraw/zinc/64/98/60/443649860.db2.gz	USEDTPOEEUJSDA-QGZVFWFLSA-N	1	3	337.508	1.817	20	30		EDEDHO
N#Cc1cccc(CN2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)c1	ZINC000325808320	444369562	/nfs/dbraw/zinc/36/95/62/444369562.db2.gz	OWSBAAKBNPENLZ-MSOLQXFVSA-N	1	3	326.444	1.638	20	30		EDEDHO
CN(C)[C@@H]1CCN(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)C1	ZINC000330233796	444899901	/nfs/dbraw/zinc/89/99/01/444899901.db2.gz	SHQPOHSLLAPDGP-ZACQAIPSSA-N	1	3	338.496	1.304	20	30		EDEDHO
C=C(C)CN1CCC(NC(=O)NCC2(COC)CC[NH2+]CC2)CC1	ZINC000417532280	446362677	/nfs/dbraw/zinc/36/26/77/446362677.db2.gz	FBJAUDLHEAKOGN-UHFFFAOYSA-N	1	3	338.496	1.342	20	30		EDEDHO
C[C@H](C(=O)N(C)CCC#N)N1CCC2(C[C@H]2C[N@H+](C)C2CC2)CC1	ZINC000367309814	446536075	/nfs/dbraw/zinc/53/60/75/446536075.db2.gz	KYGHXLPUWHLENS-CVEARBPZSA-N	1	3	332.492	1.943	20	30		EDEDHO
C[C@H](C(=O)N(C)CCC#N)N1CCC2(C[C@H]2C[N@@H+](C)C2CC2)CC1	ZINC000367309814	446536082	/nfs/dbraw/zinc/53/60/82/446536082.db2.gz	KYGHXLPUWHLENS-CVEARBPZSA-N	1	3	332.492	1.943	20	30		EDEDHO
CN(C)C1(CNc2nc(NCC3([NH+](C)C)CC3)ccc2C#N)CC1	ZINC000419009469	446863951	/nfs/dbraw/zinc/86/39/51/446863951.db2.gz	NKBNWYWSQISGJK-UHFFFAOYSA-N	1	3	328.464	1.965	20	30		EDEDHO
C#CCNC(=O)CCN(C)C[C@H]1CC[N@H+](Cc2ccc(C)s2)C1	ZINC000491475133	448036947	/nfs/dbraw/zinc/03/69/47/448036947.db2.gz	TYBDHUYMUYMEPN-MRXNPFEDSA-N	1	3	333.501	1.950	20	30		EDEDHO
C#CCNC(=O)CCN(C)C[C@H]1CC[N@@H+](Cc2ccc(C)s2)C1	ZINC000491475133	448036953	/nfs/dbraw/zinc/03/69/53/448036953.db2.gz	TYBDHUYMUYMEPN-MRXNPFEDSA-N	1	3	333.501	1.950	20	30		EDEDHO
CCN1CCC([N@@H+]2CCCN(C[C@@H](O)CC(C)(C)C#N)CC2)CC1	ZINC000598621016	449499077	/nfs/dbraw/zinc/49/90/77/449499077.db2.gz	DHUAWYGEGJIAKH-SFHVURJKSA-N	1	3	336.524	1.779	20	30		EDEDHO
CCN1CCC([N@H+]2CCCN(C[C@@H](O)CC(C)(C)C#N)CC2)CC1	ZINC000598621016	449499085	/nfs/dbraw/zinc/49/90/85/449499085.db2.gz	DHUAWYGEGJIAKH-SFHVURJKSA-N	1	3	336.524	1.779	20	30		EDEDHO
Cc1cc(N(C)CC2C[NH+](C)C2)c(C#N)c(N(C)CC2CN(C)C2)n1	ZINC000596454920	449510802	/nfs/dbraw/zinc/51/08/02/449510802.db2.gz	YBJOKHQTFOQHGQ-UHFFFAOYSA-N	1	3	342.491	1.257	20	30		EDEDHO
CC(C#N)S(=O)(=O)c1ccc(NC(=O)NCC23CC(C2)C[NH2+]3)cc1	ZINC000595231913	449962688	/nfs/dbraw/zinc/96/26/88/449962688.db2.gz	HUJMHGHALCXTJU-FZWSLVFFSA-N	1	3	348.428	1.246	20	30		EDEDHO
C[NH+](C)C[C@@]1(O)CCCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C1	ZINC000597574012	450117802	/nfs/dbraw/zinc/11/78/02/450117802.db2.gz	LLMFBTZBVYMXAW-HKUYNNGSSA-N	1	3	340.427	1.156	20	30		EDEDHO
C=C(CN(C)C)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1OCC	ZINC000840517466	595258583	/nfs/dbraw/zinc/25/85/83/595258583.db2.gz	LMDQDZFWOAACRD-RTBURBONSA-N	1	3	345.487	1.758	20	30		EDEDHO
C=C(CN(C)C)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1OCC	ZINC000840517466	595258585	/nfs/dbraw/zinc/25/85/85/595258585.db2.gz	LMDQDZFWOAACRD-RTBURBONSA-N	1	3	345.487	1.758	20	30		EDEDHO
C#CCCN1CCC(NC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)CC1	ZINC000845592841	595522902	/nfs/dbraw/zinc/52/29/02/595522902.db2.gz	QLJPRFHUZKUFPR-MOPGFXCFSA-N	1	3	347.503	1.337	20	30		EDEDHO
CC[C@H](C(=O)N1CCC([NH2+]Cc2cccc(C#N)c2)CC1)N(C)C	ZINC000996719791	703013273	/nfs/dbraw/zinc/01/32/73/703013273.db2.gz	RIGPYHAFDAZLNF-GOSISDBHSA-N	1	3	328.460	1.979	20	30		EDEDHO
C=CCN1CC[NH+](C2CCC(NC(=O)CN3CC[C@@H](C)C3)CC2)CC1	ZINC000996788973	703081455	/nfs/dbraw/zinc/08/14/55/703081455.db2.gz	NCYSVVSGORFXJF-LMDPOFIKSA-N	1	3	348.535	1.559	20	30		EDEDHO
C[N@@H+]1CC[C@@H](C(=O)N2CCC(NCc3ccccc3C#N)CC2)C1	ZINC000997296919	703555675	/nfs/dbraw/zinc/55/56/75/703555675.db2.gz	CGAIAWBAOAQEQD-QGZVFWFLSA-N	1	3	326.444	1.591	20	30		EDEDHO
C[N@H+]1CC[C@@H](C(=O)N2CCC(NCc3ccccc3C#N)CC2)C1	ZINC000997296919	703555677	/nfs/dbraw/zinc/55/56/77/703555677.db2.gz	CGAIAWBAOAQEQD-QGZVFWFLSA-N	1	3	326.444	1.591	20	30		EDEDHO
CN(C)[C@H](C(=O)N1CCC[C@@H]([NH2+]Cc2cccc(C#N)c2)C1)C1CC1	ZINC000999366987	706880945	/nfs/dbraw/zinc/88/09/45/706880945.db2.gz	DDTMTYWJKZRWMC-MOPGFXCFSA-N	1	3	340.471	1.979	20	30		EDEDHO
CC1CCN(C(=[NH2+])NCCCN2CCN(c3ccncc3)CC2)CC1	ZINC000264070933	249331025	/nfs/dbraw/zinc/33/10/25/249331025.db2.gz	DCUPQCFPCFTISK-UHFFFAOYSA-N	1	3	344.507	1.640	20	30		EDEDHO
C[C@@H](C(=O)N(C)CCC#N)N(C)CC1CCN(c2cc[nH+]cc2)CC1	ZINC000374853784	250274548	/nfs/dbraw/zinc/27/45/48/250274548.db2.gz	LHLSQNGRHHZUTK-INIZCTEOSA-N	1	3	343.475	1.990	20	30		EDEDHO
COc1cc(CN2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)ccc1C#N	ZINC000333120544	141267272	/nfs/dbraw/zinc/26/72/72/141267272.db2.gz	ICWJIEOZQXHTOK-SJORKVTESA-N	1	3	327.428	1.767	20	30		EDEDHO
CN1CC[NH+](C[C@H]2CCCN(C[C@H](O)c3ccc(C#N)cc3)C2)CC1	ZINC000367623501	154201430	/nfs/dbraw/zinc/20/14/30/154201430.db2.gz	OUNGAQZHYIFCDI-QUCCMNQESA-N	1	3	342.487	1.551	20	30		EDEDHO
C[C@H](CNC1=[NH+]C[C@@H]2CN(C(=O)OC(C)(C)C)CCN12)CN(C)C	ZINC000496240689	298246451	/nfs/dbraw/zinc/24/64/51/298246451.db2.gz	YCTPVMOUNMONSA-ZIAGYGMSSA-N	1	3	339.484	1.065	20	30		EDEDHO
C[NH+]=C(NCC(=O)Nc1cccc(F)c1)N[C@H]1CN(C(C)C)C[C@@H]1C	ZINC000158541436	441744630	/nfs/dbraw/zinc/74/46/30/441744630.db2.gz	PMJMRUQLCUGGEF-BBRMVZONSA-N	1	3	349.454	1.658	20	30		EDEDHO
CCN(CC)C(=[NH2+])NCc1cccc(CN2CCC[C@@H](C(N)=O)C2)c1	ZINC000267451743	443461919	/nfs/dbraw/zinc/46/19/19/443461919.db2.gz	RQORVTCCGJQRLN-QGZVFWFLSA-N	1	3	345.491	1.540	20	30		EDEDHO
C#CCN(C)CCCNC(=O)NCC1([NH+](C)C)Cc2ccccc2C1	ZINC000296402917	444227173	/nfs/dbraw/zinc/22/71/73/444227173.db2.gz	IYXSCLGTOYXOSH-UHFFFAOYSA-N	1	3	342.487	1.340	20	30		EDEDHO
CCOC(=O)N[C@@H](CNC(=[NH2+])NC[C@H]1CCCN1CC)CC(C)C	ZINC000303888305	444237653	/nfs/dbraw/zinc/23/76/53/444237653.db2.gz	OWAPZCKJUKSDKF-HUUCEWRRSA-N	1	3	341.500	1.536	20	30		EDEDHO
C#CC[N@@H+](C)CCCNC(=O)N[C@H](CN(C)C)c1ccc(OC)cc1	ZINC000297596854	444306197	/nfs/dbraw/zinc/30/61/97/444306197.db2.gz	VNTCWTCRKQNZDT-GOSISDBHSA-N	1	3	346.475	1.552	20	30		EDEDHO
C#CC[N@H+](C)CCCNC(=O)N[C@H](CN(C)C)c1ccc(OC)cc1	ZINC000297596854	444306198	/nfs/dbraw/zinc/30/61/98/444306198.db2.gz	VNTCWTCRKQNZDT-GOSISDBHSA-N	1	3	346.475	1.552	20	30		EDEDHO
CCN1CCC[C@H]1CNC(=[NH2+])NCc1cc(C)nc(N2CCCC2)c1	ZINC000290746242	444318286	/nfs/dbraw/zinc/31/82/86/444318286.db2.gz	XRZPWQJNHNVSET-KRWDZBQOSA-N	1	3	344.507	1.879	20	30		EDEDHO
C[C@H]1CC[NH2+]C[C@H]1NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1	ZINC000418573845	446600472	/nfs/dbraw/zinc/60/04/72/446600472.db2.gz	LRFKQHJXIQDCIR-MAUKXSAKSA-N	1	3	343.475	1.629	20	30		EDEDHO
C=C(C)CN1CCC(NC(=O)NC[C@@H]2CCC[N@@H+]2CCCO)CC1	ZINC000458324340	447769223	/nfs/dbraw/zinc/76/92/23/447769223.db2.gz	RCGCKYQXCQSINR-KRWDZBQOSA-N	1	3	338.496	1.173	20	30		EDEDHO
C=C(C)CN1CCC(NC(=O)NC[C@@H]2CCC[N@H+]2CCCO)CC1	ZINC000458324340	447769225	/nfs/dbraw/zinc/76/92/25/447769225.db2.gz	RCGCKYQXCQSINR-KRWDZBQOSA-N	1	3	338.496	1.173	20	30		EDEDHO
C#CCN(C)CCCNC(=O)NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1	ZINC000491376389	448008976	/nfs/dbraw/zinc/00/89/76/448008976.db2.gz	ZWIRTIRPBMKKON-QZTJIDSGSA-N	1	3	336.524	1.999	20	30		EDEDHO
C[NH+](C)CCC1CCN(C[C@H](O)COc2ccccc2C#N)CC1	ZINC000528351940	448495530	/nfs/dbraw/zinc/49/55/30/448495530.db2.gz	JVVSBUZMPJUUJX-SFHVURJKSA-N	1	3	331.460	1.962	20	30		EDEDHO
CN(CCN(C)C1CC[NH+](C)CC1)Cc1cnc2ccc(C#N)cn12	ZINC000589195124	448986178	/nfs/dbraw/zinc/98/61/78/448986178.db2.gz	QAKZKRWUWNJHGC-UHFFFAOYSA-N	1	3	340.475	1.664	20	30		EDEDHO
CCN1CCC[C@H]1CNC(=[NH2+])NCCNC(=O)c1cccc(C)c1	ZINC000264077178	535597483	/nfs/dbraw/zinc/59/74/83/535597483.db2.gz	GDDFDOMBJSHPJV-INIZCTEOSA-N	1	3	331.464	1.113	20	30		EDEDHO
C=C(C)C[C@@H](CO)NC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1	ZINC000882901038	591726814	/nfs/dbraw/zinc/72/68/14/591726814.db2.gz	YMFSEUZBANPZBG-KRWDZBQOSA-N	1	3	337.508	1.626	20	30		EDEDHO
N#Cc1cc(N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CCNCC2)ccc1[N+](=O)[O-]	ZINC000905704439	592617123	/nfs/dbraw/zinc/61/71/23/592617123.db2.gz	UEXNOBQIBPODHT-CALCHBBNSA-N	1	3	341.415	1.871	20	30		EDEDHO
N#Cc1cc(N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CCNCC2)ccc1[N+](=O)[O-]	ZINC000905704439	592617124	/nfs/dbraw/zinc/61/71/24/592617124.db2.gz	UEXNOBQIBPODHT-CALCHBBNSA-N	1	3	341.415	1.871	20	30		EDEDHO
CCOCCC[NH+]=C(NC[C@@H]1CN2CCC[C@@H]2CO1)NC(C)(C)C	ZINC000912499614	593100735	/nfs/dbraw/zinc/10/07/35/593100735.db2.gz	VOTSDRSLYCAZPI-HZPDHXFCSA-N	1	3	340.512	1.610	20	30		EDEDHO
C#CCN1CCC(C(=O)NC[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)CC1	ZINC000844050186	595258605	/nfs/dbraw/zinc/25/86/05/595258605.db2.gz	WJWKOHZKQVAVAZ-UXHICEINSA-N	1	3	339.483	1.793	20	30		EDEDHO
C#CCN1CCC(C(=O)NC[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)CC1	ZINC000844050186	595258608	/nfs/dbraw/zinc/25/86/08/595258608.db2.gz	WJWKOHZKQVAVAZ-UXHICEINSA-N	1	3	339.483	1.793	20	30		EDEDHO
C#CCN(C)CCCNC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1	ZINC000851660858	595873149	/nfs/dbraw/zinc/87/31/49/595873149.db2.gz	ALKZJUZPMBETJM-QZTJIDSGSA-N	1	3	328.460	1.386	20	30		EDEDHO
C=C(Cl)C[C@@H](N)C(=O)NCC1([NH+]2CCC(OC)CC2)CCCC1	ZINC000876759783	597326185	/nfs/dbraw/zinc/32/61/85/597326185.db2.gz	QLXOWCSFBNIWIQ-OAHLLOKOSA-N	1	3	343.899	1.996	20	30		EDEDHO
COCCN(Cc1cnc2ccc(C#N)cn12)CC1CC[NH+](C)CC1	ZINC000877665364	597546057	/nfs/dbraw/zinc/54/60/57/597546057.db2.gz	SKWGVBXEFOUSEM-UHFFFAOYSA-N	1	3	341.459	1.996	20	30		EDEDHO
N#C[C@H]1CNCC12CC(C(=O)N1CC[C@H](C[NH+]3CCCCC3)C1)C2	ZINC000884227643	598036566	/nfs/dbraw/zinc/03/65/66/598036566.db2.gz	UXHDZUQRALPBPX-XNGIKWSVSA-N	1	3	330.476	1.460	20	30		EDEDHO
C#CCN1CCC(C(=O)N2CCC([NH2+]Cc3cc(C)no3)CC2)CC1	ZINC000997364368	703597810	/nfs/dbraw/zinc/59/78/10/703597810.db2.gz	MHDYGXVQEVXEAM-UHFFFAOYSA-N	1	3	344.459	1.409	20	30		EDEDHO
C=C(C)C[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CN3CC4CC3(C4)CO2)CC1	ZINC000997690478	704563035	/nfs/dbraw/zinc/56/30/35/704563035.db2.gz	BHXVFVJEPPVVCO-BPOAAREJSA-N	1	3	347.503	1.642	20	30		EDEDHO
C#CCN1CCC(C(=O)N(C)C2CC([NH2+]Cc3ccns3)C2)CC1	ZINC000999876139	707523532	/nfs/dbraw/zinc/52/35/32/707523532.db2.gz	GVWXFQBSVXRHIS-UHFFFAOYSA-N	1	3	346.500	1.567	20	30		EDEDHO
N#Cc1ccc(CN2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)cc1	ZINC000261786701	139225910	/nfs/dbraw/zinc/22/59/10/139225910.db2.gz	YLAVCEIKFLCRJD-MSOLQXFVSA-N	1	3	326.444	1.638	20	30		EDEDHO
C[NH+](C)CCC(=O)Nc1ccc(NC(=O)[C@H](N)CCCC#N)cc1	ZINC000424152809	252146003	/nfs/dbraw/zinc/14/60/03/252146003.db2.gz	IZWZVKLYXHZXJY-OAHLLOKOSA-N	1	3	331.420	1.536	20	30		EDEDHO
C=CCN(CC=C)C(=O)[C@@H](C)N(C)CC1CC[NH+](C[C@@H](C)O)CC1	ZINC000264272337	443256550	/nfs/dbraw/zinc/25/65/50/443256550.db2.gz	ACALAKFQWZNRDC-IAGOWNOFSA-N	1	3	337.508	1.600	20	30		EDEDHO
CCN1CCC[C@@H]1CNC(=[NH2+])NCc1cc2c(cc1OC)C[C@@H](C)O2	ZINC000269406268	443305791	/nfs/dbraw/zinc/30/57/91/443305791.db2.gz	FBRGBOHQSISSOI-CZUORRHYSA-N	1	3	346.475	1.907	20	30		EDEDHO
CCN1CCC[C@@H]1CNC(=[NH2+])NCCCCNC(=O)OC(C)(C)C	ZINC000305805217	444281363	/nfs/dbraw/zinc/28/13/63/444281363.db2.gz	GCLGOHDPELTBML-CQSZACIVSA-N	1	3	341.500	1.680	20	30		EDEDHO
C[C@@H]1CC[C@H]([N@H+](CC#CCN(CCO)[C@H]2CC[C@H](C)C2)CCO)C1	ZINC000351620168	446215236	/nfs/dbraw/zinc/21/52/36/446215236.db2.gz	MOVFCBNBCDSQNX-YRPNKDGESA-N	1	3	336.520	1.956	20	30		EDEDHO
C[C@@H]1CC[C@H]([N@@H+](CC#CCN(CCO)[C@H]2CC[C@H](C)C2)CCO)C1	ZINC000351620168	446215242	/nfs/dbraw/zinc/21/52/42/446215242.db2.gz	MOVFCBNBCDSQNX-YRPNKDGESA-N	1	3	336.520	1.956	20	30		EDEDHO
C[C@@H]1CC[C@H](N(CC#CC[N@H+](CCO)[C@H]2CC[C@H](C)C2)CCO)C1	ZINC000351620168	446215249	/nfs/dbraw/zinc/21/52/49/446215249.db2.gz	MOVFCBNBCDSQNX-YRPNKDGESA-N	1	3	336.520	1.956	20	30		EDEDHO
C[C@@H]1CC[C@H](N(CC#CC[N@@H+](CCO)[C@H]2CC[C@H](C)C2)CCO)C1	ZINC000351620168	446215254	/nfs/dbraw/zinc/21/52/54/446215254.db2.gz	MOVFCBNBCDSQNX-YRPNKDGESA-N	1	3	336.520	1.956	20	30		EDEDHO
C=C(C)CN(CC)C(=O)CN(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1	ZINC000367117630	446510938	/nfs/dbraw/zinc/51/09/38/446510938.db2.gz	RIPHVYLIHARXBE-SFHVURJKSA-N	1	3	336.524	1.511	20	30		EDEDHO
C=C[C@@H]1OCCC[C@H]1[NH2+]CC(=O)NC[C@@H](c1ccccc1)N(C)C	ZINC000451682241	447746907	/nfs/dbraw/zinc/74/69/07/447746907.db2.gz	OLCISCVLNCZJSA-SQNIBIBYSA-N	1	3	331.460	1.729	20	30		EDEDHO
C#CCN1CCC(C(=O)N(CCCOC)C2CC[NH+](C)CC2)CC1	ZINC000491697353	448083573	/nfs/dbraw/zinc/08/35/73/448083573.db2.gz	ZVZHIOOKOXJGRV-UHFFFAOYSA-N	1	3	335.492	1.291	20	30		EDEDHO
CN(C)[C@@H]1CCC[C@H]([NH2+]C[C@@H](O)COc2ccc(CC#N)cc2)C1	ZINC000576816559	448145917	/nfs/dbraw/zinc/14/59/17/448145917.db2.gz	XJNBIJLYLISMLT-RCCFBDPRSA-N	1	3	331.460	1.955	20	30		EDEDHO
CCCN1CC[C@@H](C[NH2+]C[C@H](O)COc2ccc(CC#N)cc2)C1	ZINC000566108133	448390496	/nfs/dbraw/zinc/39/04/96/448390496.db2.gz	CVHYSSUAPPUUIS-ROUUACIJSA-N	1	3	331.460	1.814	20	30		EDEDHO
N#Cc1cccc(C2([NH2+]C[C@@H]3CCC4(CNC4)O3)CCOCC2)c1	ZINC000595910693	449248240	/nfs/dbraw/zinc/24/82/40/449248240.db2.gz	QTSKKBXQVNELMH-KRWDZBQOSA-N	1	3	327.428	1.675	20	30		EDEDHO
N#CCCCC[C@H](N)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1	ZINC000595256342	449980136	/nfs/dbraw/zinc/98/01/36/449980136.db2.gz	NFGBYNVBMBWSHZ-IXDOHACOSA-N	1	3	332.423	1.799	20	30		EDEDHO
C[NH+]1CCC(N2CCC(NC(=O)Nc3ccnc(C#N)c3)CC2)CC1	ZINC000603137212	450086986	/nfs/dbraw/zinc/08/69/86/450086986.db2.gz	YVYCASOUSSDDQG-UHFFFAOYSA-N	1	3	342.447	1.633	20	30		EDEDHO
C=C(C)[C@@H](CO)N1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1	ZINC000649318642	451998502	/nfs/dbraw/zinc/99/85/02/451998502.db2.gz	HLOHIHHXEPOXRI-MRXNPFEDSA-N	1	3	325.497	1.339	20	30		EDEDHO
CC(C)[C@@H]1N(C)C[C@@]12C[C@@H](O)[C@H]([NH2+]C[C@@H](O)c1ccc(C#N)cc1)C2	ZINC000905500285	592545485	/nfs/dbraw/zinc/54/54/85/592545485.db2.gz	ABHYFRVTOIQUAE-LTFPLMDUSA-N	1	3	343.471	1.661	20	30		EDEDHO
C=C(Cl)C[C@@H](N)C(=O)NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1	ZINC000876961722	597398491	/nfs/dbraw/zinc/39/84/91/597398491.db2.gz	WJLLAPQWHMFTLZ-JKSUJKDBSA-N	1	3	337.851	1.339	20	30		EDEDHO
C=C(Cl)C[C@@H](N)C(=O)NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1	ZINC000876961722	597398494	/nfs/dbraw/zinc/39/84/94/597398494.db2.gz	WJLLAPQWHMFTLZ-JKSUJKDBSA-N	1	3	337.851	1.339	20	30		EDEDHO
C=CC[C@@]1(C(=O)NCc2cccc(-n3cc(CN)nn3)c2)CCC[NH2+]1	ZINC000877206860	597461914	/nfs/dbraw/zinc/46/19/14/597461914.db2.gz	NKBIXHFAPIUJNG-SFHVURJKSA-N	1	3	340.431	1.041	20	30		EDEDHO
C[NH+]1CCC(N2CCC(NC(=O)N3CCC[C@H](C#N)C3)CC2)CC1	ZINC000915501101	695935138	/nfs/dbraw/zinc/93/51/38/695935138.db2.gz	YSGOEOMXFSQYAS-OAHLLOKOSA-N	1	3	333.480	1.490	20	30		EDEDHO
CC#CCN1CC[C@H](NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C(C)(C)C1	ZINC000940901837	700976524	/nfs/dbraw/zinc/97/65/24/700976524.db2.gz	QXZIHSNPFLCLRM-RXCRORICSA-N	1	3	345.487	1.090	20	30		EDEDHO
CC#CCN1CC[C@H](NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C(C)(C)C1	ZINC000940901837	700976526	/nfs/dbraw/zinc/97/65/26/700976526.db2.gz	QXZIHSNPFLCLRM-RXCRORICSA-N	1	3	345.487	1.090	20	30		EDEDHO
C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1	ZINC001032408999	703438356	/nfs/dbraw/zinc/43/83/56/703438356.db2.gz	SFSHFXMETZTENG-OKYOBFRVSA-N	1	3	347.503	1.595	20	30		EDEDHO
C#CC[N@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2CN3CC4CC3(C4)CO2)CC1	ZINC000998064742	705274943	/nfs/dbraw/zinc/27/49/43/705274943.db2.gz	AZTYFJUSISXZCX-NRGCRIOASA-N	1	3	345.487	1.186	20	30		EDEDHO
C#CC[N@@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2CN3CC4CC3(C4)CO2)CC1	ZINC000998064742	705274946	/nfs/dbraw/zinc/27/49/46/705274946.db2.gz	AZTYFJUSISXZCX-NRGCRIOASA-N	1	3	345.487	1.186	20	30		EDEDHO
C=CCN[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)CC[C@@H]1C(F)(F)F	ZINC000998305749	705709701	/nfs/dbraw/zinc/70/97/01/705709701.db2.gz	SHNVGDHDOYEOEW-STQMWFEESA-N	1	3	331.382	1.637	20	30		EDEDHO
C#CCN(C(=O)NCC[C@H](C)[NH+]1CCCCC1)C1CCN(C)CC1	ZINC000921938625	709087674	/nfs/dbraw/zinc/08/76/74/709087674.db2.gz	NJTWSDGRNFHNQD-KRWDZBQOSA-N	1	3	334.508	1.990	20	30		EDEDHO
C#CCN1CCC(C(=O)N(CC)[C@@H]2CC[N@@H+]([C@H](C)COC)C2)CC1	ZINC001034045271	709297672	/nfs/dbraw/zinc/29/76/72/709297672.db2.gz	JETTUDJWMNEFLT-SJLPKXTDSA-N	1	3	335.492	1.289	20	30		EDEDHO
C#CCN1CCC(C(=O)N(CC)[C@@H]2CC[N@H+]([C@H](C)COC)C2)CC1	ZINC001034045271	709297674	/nfs/dbraw/zinc/29/76/74/709297674.db2.gz	JETTUDJWMNEFLT-SJLPKXTDSA-N	1	3	335.492	1.289	20	30		EDEDHO
C#CCCN1CCCC[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1	ZINC001034211350	709562044	/nfs/dbraw/zinc/56/20/44/709562044.db2.gz	ZSVJFYAWPVSZNO-MRXNPFEDSA-N	1	3	331.464	1.052	20	30		EDEDHO
C#CCN1CCC(C(=O)N[C@@H]2CCCC[N@@H+](C[C@@H](C)OC)C2)CC1	ZINC001034538361	710211128	/nfs/dbraw/zinc/21/11/28/710211128.db2.gz	MTOAJIDLHGGYCU-SJLPKXTDSA-N	1	3	335.492	1.337	20	30		EDEDHO
C#CCN1CCC(C(=O)N[C@@H]2CCCC[N@H+](C[C@@H](C)OC)C2)CC1	ZINC001034538361	710211130	/nfs/dbraw/zinc/21/11/30/710211130.db2.gz	MTOAJIDLHGGYCU-SJLPKXTDSA-N	1	3	335.492	1.337	20	30		EDEDHO
CCOc1ccc(C#N)cc1NC(=O)N(CCN(C)C)CC[NH+](C)C	ZINC000527127021	267164951	/nfs/dbraw/zinc/16/49/51/267164951.db2.gz	RZZNNHRTHOBCIS-UHFFFAOYSA-N	1	3	347.463	1.914	20	30		EDEDHO
CCOC(=O)N1CCC(NC(=[NH2+])NC[C@H](CC)N2CCCC2)CC1	ZINC000104166872	441190936	/nfs/dbraw/zinc/19/09/36/441190936.db2.gz	NLNCSSYDWAMMPS-HNNXBMFYSA-N	1	3	339.484	1.386	20	30		EDEDHO
C[NH+]=C(NCc1ccn(C)c1)NCC1(N2CCCC2)CCOCC1	ZINC000262752285	443209929	/nfs/dbraw/zinc/20/99/29/443209929.db2.gz	CGYUZYAMWNYFEF-UHFFFAOYSA-N	1	3	333.480	1.335	20	30		EDEDHO
CCN1CCC[C@H]1CNC(=[NH2+])NC[C@H](C)Oc1ccc(OC)cc1	ZINC000267468484	443468112	/nfs/dbraw/zinc/46/81/12/443468112.db2.gz	XCTSPNVMUAOSET-GJZGRUSLSA-N	1	3	334.464	1.851	20	30		EDEDHO
CCN1CCC[C@H]1CNC(=[NH2+])NC[C@@H](C)Oc1ccc(OC)cc1	ZINC000267468483	443468257	/nfs/dbraw/zinc/46/82/57/443468257.db2.gz	XCTSPNVMUAOSET-CABCVRRESA-N	1	3	334.464	1.851	20	30		EDEDHO
C#CCN(C)CCCNC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1	ZINC000294103055	444103086	/nfs/dbraw/zinc/10/30/86/444103086.db2.gz	YJYLNXHFTLXRSP-IBGZPJMESA-N	1	3	327.472	1.970	20	30		EDEDHO
C#CCN(C)CCCNC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1	ZINC000294103055	444103089	/nfs/dbraw/zinc/10/30/89/444103089.db2.gz	YJYLNXHFTLXRSP-IBGZPJMESA-N	1	3	327.472	1.970	20	30		EDEDHO
N#Cc1ccc(S(=O)(=O)CC[NH2+]CC2CCN(C3CC3)CC2)nc1	ZINC000579583149	321949885	/nfs/dbraw/zinc/94/98/85/321949885.db2.gz	FUJKQBXGBGXHFC-UHFFFAOYSA-N	1	3	348.472	1.191	20	30		EDEDHO
C#CCNC(=O)CCN1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1	ZINC000491209911	447958247	/nfs/dbraw/zinc/95/82/47/447958247.db2.gz	NNOLXAMRMYJXGM-HXUWFJFHSA-N	1	3	325.456	1.724	20	30		EDEDHO
C#CCNC(=O)CCN1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1	ZINC000491209911	447958254	/nfs/dbraw/zinc/95/82/54/447958254.db2.gz	NNOLXAMRMYJXGM-HXUWFJFHSA-N	1	3	325.456	1.724	20	30		EDEDHO
C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)COc1ccccc1C#N	ZINC000597941951	449152350	/nfs/dbraw/zinc/15/23/50/449152350.db2.gz	HKUMJQWCVKUQLG-HNNXBMFYSA-N	1	3	332.448	1.325	20	30		EDEDHO
C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)COc1ccccc1C#N	ZINC000597941951	449152354	/nfs/dbraw/zinc/15/23/54/449152354.db2.gz	HKUMJQWCVKUQLG-HNNXBMFYSA-N	1	3	332.448	1.325	20	30		EDEDHO
CC(C#N)S(=O)(=O)c1ccc(NC(=O)N[C@@]2(C)CC[NH2+]C2)cc1	ZINC000596124712	449375409	/nfs/dbraw/zinc/37/54/09/449375409.db2.gz	YWVUQILSJZIVEE-NHYWBVRUSA-N	1	3	336.417	1.246	20	30		EDEDHO
C[C@@H]1C[N@H+](CCCNC[C@@H](O)COc2ccccc2C#N)CCCO1	ZINC000600735422	449524390	/nfs/dbraw/zinc/52/43/90/449524390.db2.gz	SYQHSMNNONNGQV-SJLPKXTDSA-N	1	3	347.459	1.388	20	30		EDEDHO
C[C@@H]1C[N@@H+](CCCNC[C@@H](O)COc2ccccc2C#N)CCCO1	ZINC000600735422	449524395	/nfs/dbraw/zinc/52/43/95/449524395.db2.gz	SYQHSMNNONNGQV-SJLPKXTDSA-N	1	3	347.459	1.388	20	30		EDEDHO
C=CCC1(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)CCOCC1	ZINC000617502281	449645010	/nfs/dbraw/zinc/64/50/10/449645010.db2.gz	JWFDOIPAKZUKRI-INIZCTEOSA-N	1	3	325.497	1.748	20	30		EDEDHO
C=CCC1(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)CCOCC1	ZINC000617502281	449645015	/nfs/dbraw/zinc/64/50/15/449645015.db2.gz	JWFDOIPAKZUKRI-INIZCTEOSA-N	1	3	325.497	1.748	20	30		EDEDHO
CCN1CCC[C@@H]1CNC(=[NH2+])NCCc1cccc(C(=O)OC)c1	ZINC000132406978	529074763	/nfs/dbraw/zinc/07/47/63/529074763.db2.gz	JNNVQTGQQCBTGB-MRXNPFEDSA-N	1	3	332.448	1.404	20	30		EDEDHO
CN(C)CCN(CC[NH+](C)C)C(=O)Nc1cccc(OCC#N)c1	ZINC000784424215	580620731	/nfs/dbraw/zinc/62/07/31/580620731.db2.gz	FCKLDQCDGJQJQZ-UHFFFAOYSA-N	1	3	333.436	1.546	20	30		EDEDHO
C#CC[C@@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)c1ccccc1	ZINC000757771969	593386347	/nfs/dbraw/zinc/38/63/47/593386347.db2.gz	NKJFVDRHJYWGTC-GOSISDBHSA-N	1	3	330.476	1.886	20	30		EDEDHO
C#CC[C@@H](COC)NC(=O)N(CCN(C)C)C[C@@H]1CCC[N@H+]1CC	ZINC000875922042	597035995	/nfs/dbraw/zinc/03/59/95/597035995.db2.gz	AJJRNSAOFDPZIE-IRXDYDNUSA-N	1	3	338.496	1.082	20	30		EDEDHO
C#CC[C@@H](COC)NC(=O)N(CCN(C)C)C[C@@H]1CCC[N@@H+]1CC	ZINC000875922042	597036000	/nfs/dbraw/zinc/03/60/00/597036000.db2.gz	AJJRNSAOFDPZIE-IRXDYDNUSA-N	1	3	338.496	1.082	20	30		EDEDHO
N#C[C@H]1CNCC12CC(C(=O)N1CCC[C@@H](C3CC[NH2+]CC3)C1)C2	ZINC000884396151	598091965	/nfs/dbraw/zinc/09/19/65/598091965.db2.gz	VTYDFNVMSGGQQG-XNGIKWSVSA-N	1	3	330.476	1.364	20	30		EDEDHO
N#C[C@H]1CNCC12CC(C(=O)N1CCC([C@@H]3CCC[NH2+]C3)CC1)C2	ZINC000884394574	598092037	/nfs/dbraw/zinc/09/20/37/598092037.db2.gz	IYDLFLWUYCLYMV-XNGIKWSVSA-N	1	3	330.476	1.364	20	30		EDEDHO
C#CCN1CCC(C(=O)N[C@@H]2CC[N@@H+](CCCF)CC2(C)C)CC1	ZINC000941237189	701427816	/nfs/dbraw/zinc/42/78/16/701427816.db2.gz	JJTOTDKQWGHWMD-QGZVFWFLSA-N	1	3	337.483	1.908	20	30		EDEDHO
C#CCN1CCC(C(=O)N[C@@H]2CC[N@H+](CCCF)CC2(C)C)CC1	ZINC000941237189	701427817	/nfs/dbraw/zinc/42/78/17/701427817.db2.gz	JJTOTDKQWGHWMD-QGZVFWFLSA-N	1	3	337.483	1.908	20	30		EDEDHO
C#CCN1CCC(C(=O)NCC2C[NH+](C[C@@H]3CC[C@H]4C[C@H]4C3)C2)CC1	ZINC001032207191	702115920	/nfs/dbraw/zinc/11/59/20/702115920.db2.gz	GWFZGAWUBFSANA-LSTHTHJFSA-N	1	3	343.515	1.816	20	30		EDEDHO
C[C@@H]1CCN(CC(=O)N2CCC([NH2+]Cc3cccc(C#N)c3)CC2)C1	ZINC000996993718	703250109	/nfs/dbraw/zinc/25/01/09/703250109.db2.gz	DDQGNHBQSXPASS-MRXNPFEDSA-N	1	3	340.471	1.981	20	30		EDEDHO
N#Cc1ccc(C[NH2+]C2CCN(C(=O)Cc3c[nH]cn3)CC2)cc1F	ZINC000997043191	703291197	/nfs/dbraw/zinc/29/11/97/703291197.db2.gz	VNCGVXUHUSRLDY-UHFFFAOYSA-N	1	3	341.390	1.744	20	30		EDEDHO
C#CCN1CCC(C(=O)N[C@H]2CC[N@@H+](CC3CCC3)C[C@H]2C)CC1	ZINC000945179401	705211020	/nfs/dbraw/zinc/21/10/20/705211020.db2.gz	IJNWSMJBTSRBTP-APWZRJJASA-N	1	3	331.504	1.958	20	30		EDEDHO
C#CCN1CCC(C(=O)N[C@H]2CC[N@H+](CC3CCC3)C[C@H]2C)CC1	ZINC000945179401	705211024	/nfs/dbraw/zinc/21/10/24/705211024.db2.gz	IJNWSMJBTSRBTP-APWZRJJASA-N	1	3	331.504	1.958	20	30		EDEDHO
C#CCN1CCC(C(=O)N[C@@H]2CC[N@@H+](CC3CCC3)C[C@H]2C)CC1	ZINC000945179404	705211193	/nfs/dbraw/zinc/21/11/93/705211193.db2.gz	IJNWSMJBTSRBTP-VQIMIIECSA-N	1	3	331.504	1.958	20	30		EDEDHO
C#CCN1CCC(C(=O)N[C@@H]2CC[N@H+](CC3CCC3)C[C@H]2C)CC1	ZINC000945179404	705211195	/nfs/dbraw/zinc/21/11/95/705211195.db2.gz	IJNWSMJBTSRBTP-VQIMIIECSA-N	1	3	331.504	1.958	20	30		EDEDHO
C#CCCN1CC[C@H](N(C)C(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)C1	ZINC001033139641	711935968	/nfs/dbraw/zinc/93/59/68/711935968.db2.gz	HLJFKGDRDPWPEH-ROUUACIJSA-N	1	3	333.476	1.186	20	30		EDEDHO
C#CCCN1CC[C@H](N(C)C(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C1	ZINC001033139641	711935969	/nfs/dbraw/zinc/93/59/69/711935969.db2.gz	HLJFKGDRDPWPEH-ROUUACIJSA-N	1	3	333.476	1.186	20	30		EDEDHO
CN(C)C(=[NH+]CCCN1CCN(C)C[C@H]1c1ccccc1)N(C)C	ZINC000104169373	237059407	/nfs/dbraw/zinc/05/94/07/237059407.db2.gz	JZTXBYAVFSALBL-SFHVURJKSA-N	1	3	331.508	1.844	20	30		EDEDHO
COCCNC(=[NH2+])NCCCOC1CCN(Cc2ccccc2)CC1	ZINC000176397598	237340115	/nfs/dbraw/zinc/34/01/15/237340115.db2.gz	QHPVLBHBZTUEDF-UHFFFAOYSA-N	1	3	348.491	1.608	20	30		EDEDHO
COc1cccc([C@@H](CNC(=O)[C@H]([NH3+])CCCC#N)N2CCCC2)c1	ZINC000424142634	252141662	/nfs/dbraw/zinc/14/16/62/252141662.db2.gz	VKCODSSPUVVNTB-QZTJIDSGSA-N	1	3	344.459	1.969	20	30		EDEDHO
N#CCCC[C@H]([NH3+])C(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1	ZINC000424176254	252154566	/nfs/dbraw/zinc/15/45/66/252154566.db2.gz	RRNLDPZIJLADKA-MSOLQXFVSA-N	1	3	344.459	1.415	20	30		EDEDHO
C[NH+]=C(NCC(=O)Nc1cccc(F)c1)N[C@H]1CN(C(C)C)C[C@H]1C	ZINC000158541292	441745423	/nfs/dbraw/zinc/74/54/23/441745423.db2.gz	PMJMRUQLCUGGEF-CJNGLKHVSA-N	1	3	349.454	1.658	20	30		EDEDHO
CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Cc1ccc(C#N)cc1	ZINC000194873595	442963812	/nfs/dbraw/zinc/96/38/12/442963812.db2.gz	DYXBTGCUXUQACD-IBGZPJMESA-N	1	3	342.487	1.975	20	30		EDEDHO
CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Cc1ccc(C#N)cc1	ZINC000194873595	442963815	/nfs/dbraw/zinc/96/38/15/442963815.db2.gz	DYXBTGCUXUQACD-IBGZPJMESA-N	1	3	342.487	1.975	20	30		EDEDHO
CCN1CCC[C@H]1CNC(=[NH2+])NC[C@@H](c1cccc(OC)c1)N(C)C	ZINC000264056204	443247773	/nfs/dbraw/zinc/24/77/73/443247773.db2.gz	AXLBXDREQOTHLS-WMZOPIPTSA-N	1	3	347.507	1.687	20	30		EDEDHO
CCN1CCC[C@@H]1CNC(=[NH2+])NCc1cccc2c1OCCCO2	ZINC000269306633	443276125	/nfs/dbraw/zinc/27/61/25/443276125.db2.gz	UALODSVWNCSDJJ-OAHLLOKOSA-N	1	3	332.448	1.737	20	30		EDEDHO
C[C@@H]1C[C@H](NC(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)CCN1C	ZINC000330125525	444853277	/nfs/dbraw/zinc/85/32/77/444853277.db2.gz	BPBFIJCTCPFJOC-DZUCGIPZSA-N	1	3	338.496	1.351	20	30		EDEDHO
C[C@@H]1C[N@H+](CCOc2ccccc2C#N)CC[C@@H]1N1CCN(C)CC1	ZINC000362701033	445507835	/nfs/dbraw/zinc/50/78/35/445507835.db2.gz	DYXHRVCULTXBLF-MJGOQNOKSA-N	1	3	342.487	1.895	20	30		EDEDHO
C[C@@H]1C[N@@H+](CCOc2ccccc2C#N)CC[C@@H]1N1CCN(C)CC1	ZINC000362701033	445507837	/nfs/dbraw/zinc/50/78/37/445507837.db2.gz	DYXHRVCULTXBLF-MJGOQNOKSA-N	1	3	342.487	1.895	20	30		EDEDHO
C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2CCCN(CCCO)C2)CC1	ZINC000458312275	447766218	/nfs/dbraw/zinc/76/62/18/447766218.db2.gz	BFVNHWPCIDGZTG-QGZVFWFLSA-N	1	3	338.496	1.173	20	30		EDEDHO
C#CCNC(=O)CC[NH2+]Cc1ccc(CN2CCN(CC)CC2)cc1	ZINC000491451349	448030656	/nfs/dbraw/zinc/03/06/56/448030656.db2.gz	FLLGCDJXGBVOAX-UHFFFAOYSA-N	1	3	342.487	1.053	20	30		EDEDHO
CN(CCC#N)C[C@@H](O)CNC[C@H]1CCC[N@H+](Cc2ccccc2)C1	ZINC000591729033	448474608	/nfs/dbraw/zinc/47/46/08/448474608.db2.gz	UNANOIWYZOFAAW-UXHICEINSA-N	1	3	344.503	1.695	20	30		EDEDHO
CN(CCC#N)C[C@@H](O)CNC[C@H]1CCC[N@@H+](Cc2ccccc2)C1	ZINC000591729033	448474615	/nfs/dbraw/zinc/47/46/15/448474615.db2.gz	UNANOIWYZOFAAW-UXHICEINSA-N	1	3	344.503	1.695	20	30		EDEDHO
Cc1cc(C[NH2+]CC2(N3CCOCC3)CCN(C)CC2)ccc1C#N	ZINC000574138634	448799185	/nfs/dbraw/zinc/79/91/85/448799185.db2.gz	TWFZOBBFBOERIJ-UHFFFAOYSA-N	1	3	342.487	1.753	20	30		EDEDHO
Cc1ccccc1C[NH+]1CCC(NC[C@@H](O)CN(C)CCC#N)CC1	ZINC000580048783	448937820	/nfs/dbraw/zinc/93/78/20/448937820.db2.gz	OBTINRVBCNQNFU-HXUWFJFHSA-N	1	3	344.503	1.755	20	30		EDEDHO
C[NH+]1CCC(N2CCC(NC(=O)NCC3(C#N)CCCC3)CC2)CC1	ZINC000593332357	449229544	/nfs/dbraw/zinc/22/95/44/449229544.db2.gz	LVAZCUBMBKIAHT-UHFFFAOYSA-N	1	3	347.507	1.928	20	30		EDEDHO
C[NH+]1CCC(N2CCC(NC(=O)N3CCC[C@](C)(C#N)C3)CC2)CC1	ZINC000612120938	449571163	/nfs/dbraw/zinc/57/11/63/449571163.db2.gz	ZGXYJHSZAPXBDF-LJQANCHMSA-N	1	3	347.507	1.880	20	30		EDEDHO
C=CCN(CC=C)[C@H](CNC(=O)c1c[nH]nc1[C@H]1CC[NH2+]C1)C(C)C	ZINC000662379995	453089651	/nfs/dbraw/zinc/08/96/51/453089651.db2.gz	HSQAHKJAEJCUDP-DOTOQJQBSA-N	1	3	345.491	1.915	20	30		EDEDHO
C[C@@H]([NH2+]CCCN1CCC[C@@H](C(N)=O)C1)c1ccc(OCC#N)cc1	ZINC000776157880	580409960	/nfs/dbraw/zinc/40/99/60/580409960.db2.gz	UEGWHZRPONVGAT-NVXWUHKLSA-N	1	3	344.459	1.827	20	30		EDEDHO
CN(CC(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1)C1CCC1	ZINC000900416454	592013122	/nfs/dbraw/zinc/01/31/22/592013122.db2.gz	DZBKRNIQCRGGRQ-UHFFFAOYSA-N	1	3	328.460	1.933	20	30		EDEDHO
O=C(C#CC1CC[NH2+]CC1)NC[C@@H]1CCCN1Cc1ccccc1	ZINC000852868981	595588474	/nfs/dbraw/zinc/58/84/74/595588474.db2.gz	RNWOKNNVVJNCNX-IBGZPJMESA-N	1	3	325.456	1.770	20	30		EDEDHO
C#CCOCCN1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1	ZINC000851863852	595952743	/nfs/dbraw/zinc/95/27/43/595952743.db2.gz	RPKZITMXJNNUCL-UHFFFAOYSA-N	1	3	335.492	1.340	20	30		EDEDHO
C#CC[C@@H](CCOC)NC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1	ZINC000863781637	596684377	/nfs/dbraw/zinc/68/43/77/596684377.db2.gz	PASOAWDGBYIPJV-SFHVURJKSA-N	1	3	349.519	1.727	20	30		EDEDHO
C=C(Cl)C[C@@H](N)C(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1	ZINC000876879328	597367144	/nfs/dbraw/zinc/36/71/44/597367144.db2.gz	QFTUHRHBXKZIQL-LSDHHAIUSA-N	1	3	328.888	1.085	20	30		EDEDHO
C=C(Cl)C[C@@H](N)C(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1	ZINC000876879328	597367147	/nfs/dbraw/zinc/36/71/47/597367147.db2.gz	QFTUHRHBXKZIQL-LSDHHAIUSA-N	1	3	328.888	1.085	20	30		EDEDHO
C#CCN1CCC(C(=O)NCC2C[NH+](C[C@H](OC)C3CCC3)C2)CC1	ZINC001032207142	702176033	/nfs/dbraw/zinc/17/60/33/702176033.db2.gz	FQHQNPIMPFKYFZ-IBGZPJMESA-N	1	3	347.503	1.195	20	30		EDEDHO
N#Cc1ccc(F)c(C[NH2+]C2CCN(C(=O)CN3CCCC3)CC2)c1	ZINC000997308075	703566224	/nfs/dbraw/zinc/56/62/24/703566224.db2.gz	ZEURIKCOOXXXNB-UHFFFAOYSA-N	1	3	344.434	1.874	20	30		EDEDHO
C#CCN1CCC(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CC2CCCC2)CC1	ZINC001032800465	708080934	/nfs/dbraw/zinc/08/09/34/708080934.db2.gz	KCPVKUCXOFYLOT-OALUTQOASA-N	1	3	329.488	1.807	20	30		EDEDHO
C#CCN1CCC(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CC2CCCC2)CC1	ZINC001032800465	708080936	/nfs/dbraw/zinc/08/09/36/708080936.db2.gz	KCPVKUCXOFYLOT-OALUTQOASA-N	1	3	329.488	1.807	20	30		EDEDHO
CC#CCN1CCC(CNC(=O)C2CC[NH+](CC3CC3)CC2)CC1	ZINC001002029468	708550682	/nfs/dbraw/zinc/55/06/82/708550682.db2.gz	IRIAJDNCVSMDBK-UHFFFAOYSA-N	1	3	331.504	1.960	20	30		EDEDHO
C=CCC[N@@H+]1CCCC[C@H](NC(=O)[C@H]2CN3CC4CC3(C4)CO2)C1	ZINC001034318644	709768326	/nfs/dbraw/zinc/76/83/26/709768326.db2.gz	CTMPRNNOIBQWKE-DHADLLTHSA-N	1	3	333.476	1.396	20	30		EDEDHO
C=CCC[N@H+]1CCCC[C@H](NC(=O)[C@H]2CN3CC4CC3(C4)CO2)C1	ZINC001034318644	709768328	/nfs/dbraw/zinc/76/83/28/709768328.db2.gz	CTMPRNNOIBQWKE-DHADLLTHSA-N	1	3	333.476	1.396	20	30		EDEDHO
CN(C)C(=[NH+]Cc1ccc(CN2CCC(C(N)=O)CC2)cc1)N(C)C	ZINC000263215463	249329495	/nfs/dbraw/zinc/32/94/95/249329495.db2.gz	ZUKOVKPUGXJSDI-UHFFFAOYSA-N	1	3	345.491	1.363	20	30		EDEDHO
C[C@H](C(=O)N(C)CCC#N)N(C)CC1CCN(c2cc[nH+]cc2)CC1	ZINC000374853786	278134547	/nfs/dbraw/zinc/13/45/47/278134547.db2.gz	LHLSQNGRHHZUTK-MRXNPFEDSA-N	1	3	343.475	1.990	20	30		EDEDHO
N#Cc1ccc(CNCCCN2CCN(c3cc[nH+]cc3)CC2)o1	ZINC000266208141	443058351	/nfs/dbraw/zinc/05/83/51/443058351.db2.gz	NDUJPAXGJHIOAU-UHFFFAOYSA-N	1	3	325.416	1.848	20	30		EDEDHO
C=CCN(CC=C)[C@@H](CNC(=O)NC[C@@](C)(O)C[NH+](C)C)C(C)C	ZINC000269935419	443456373	/nfs/dbraw/zinc/45/63/73/443456373.db2.gz	VGFKEDSOHZJZNQ-FUHWJXTLSA-N	1	3	340.512	1.297	20	30		EDEDHO
CN1CCC(O)(C[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)CC1	ZINC000286299335	443686268	/nfs/dbraw/zinc/68/62/68/443686268.db2.gz	WOVBYJUQHYKBBK-UHFFFAOYSA-N	1	3	328.460	1.573	20	30		EDEDHO
C#CCNC(=O)CCNC1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C	ZINC000294519269	444120194	/nfs/dbraw/zinc/12/01/94/444120194.db2.gz	JCGAYSBKVHXIRS-IAGOWNOFSA-N	1	3	327.472	1.872	20	30		EDEDHO
C#CCN(C)CCCNC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1	ZINC000491805352	448133538	/nfs/dbraw/zinc/13/35/38/448133538.db2.gz	OECKXSSFTJOUJH-AEFFLSMTSA-N	1	3	332.492	1.600	20	30		EDEDHO
C#CCN(C)CCCNC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1	ZINC000491805352	448133542	/nfs/dbraw/zinc/13/35/42/448133542.db2.gz	OECKXSSFTJOUJH-AEFFLSMTSA-N	1	3	332.492	1.600	20	30		EDEDHO
C[C@H](NC[C@H](O)CN(C)CCC#N)[C@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000582482704	448250595	/nfs/dbraw/zinc/25/05/95/448250595.db2.gz	QTONBCXSEZZZOR-IHPCNDPISA-N	1	3	344.503	1.693	20	30		EDEDHO
C[C@H]([NH2+]C[C@H](O)CN(C)CCC#N)[C@H]1CCN(Cc2ccccc2)C1	ZINC000582482704	448250585	/nfs/dbraw/zinc/25/05/85/448250585.db2.gz	QTONBCXSEZZZOR-IHPCNDPISA-N	1	3	344.503	1.693	20	30		EDEDHO
C[C@H](NC[C@H](O)CN(C)CCC#N)[C@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000582482704	448250590	/nfs/dbraw/zinc/25/05/90/448250590.db2.gz	QTONBCXSEZZZOR-IHPCNDPISA-N	1	3	344.503	1.693	20	30		EDEDHO
C[C@@H]1C[N@H+](CCCNC[C@@H](O)COc2ccc(C#N)cc2)CCCO1	ZINC000577502888	448315455	/nfs/dbraw/zinc/31/54/55/448315455.db2.gz	IISBDVZTFSUCBD-SJLPKXTDSA-N	1	3	347.459	1.388	20	30		EDEDHO
C[C@@H]1C[N@@H+](CCCNC[C@@H](O)COc2ccc(C#N)cc2)CCCO1	ZINC000577502888	448315457	/nfs/dbraw/zinc/31/54/57/448315457.db2.gz	IISBDVZTFSUCBD-SJLPKXTDSA-N	1	3	347.459	1.388	20	30		EDEDHO
C[C@@H](Oc1ccc(C#N)cc1)C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C	ZINC000597942308	449152743	/nfs/dbraw/zinc/15/27/43/449152743.db2.gz	LJGOOHWHWBMVPQ-JKSUJKDBSA-N	1	3	346.475	1.714	20	30		EDEDHO
C[C@@H](Oc1ccc(C#N)cc1)C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C	ZINC000597942308	449152744	/nfs/dbraw/zinc/15/27/44/449152744.db2.gz	LJGOOHWHWBMVPQ-JKSUJKDBSA-N	1	3	346.475	1.714	20	30		EDEDHO
N#CC(CCc1ccccc1)C(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1	ZINC000598450891	449401424	/nfs/dbraw/zinc/40/14/24/449401424.db2.gz	JIGIOPQYSVPCLU-HKUYNNGSSA-N	1	3	341.455	1.817	20	30		EDEDHO
N#CC(CCc1ccccc1)C(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1	ZINC000598450891	449401428	/nfs/dbraw/zinc/40/14/28/449401428.db2.gz	JIGIOPQYSVPCLU-HKUYNNGSSA-N	1	3	341.455	1.817	20	30		EDEDHO
CC[NH+]1CCC(N2CCCN(Cc3cccc(C#N)n3)CC2)CC1	ZINC000602696746	449755593	/nfs/dbraw/zinc/75/55/93/449755593.db2.gz	FUXZCJKXTCCIFP-UHFFFAOYSA-N	1	3	327.476	1.945	20	30		EDEDHO
C=C(C)CN1CCC(NC(=O)N2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)CC1	ZINC000891519958	591104931	/nfs/dbraw/zinc/10/49/31/591104931.db2.gz	COQKCWXTRJIVLB-JSGCOSHPSA-N	1	3	348.413	1.806	20	30		EDEDHO
C#CCCN1CCC(NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)CC1	ZINC000859524803	596121577	/nfs/dbraw/zinc/12/15/77/596121577.db2.gz	IZMJUCRGCSPGSU-UXHICEINSA-N	1	3	339.483	1.936	20	30		EDEDHO
C#CCCN1CCC(NC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)CC1	ZINC000859524803	596121579	/nfs/dbraw/zinc/12/15/79/596121579.db2.gz	IZMJUCRGCSPGSU-UXHICEINSA-N	1	3	339.483	1.936	20	30		EDEDHO
N#C[C@@H]1CNCC12CC(C(=O)N1CCC(C[NH+]3CCCC3)CC1)C2	ZINC000884189297	598020533	/nfs/dbraw/zinc/02/05/33/598020533.db2.gz	BLVJUCVXKBKBPW-TVRKMHQQSA-N	1	3	330.476	1.460	20	30		EDEDHO
N#C[C@H]1CNCC12CC(C(=O)NCC1([NH3+])C3CC4CC(C3)CC1C4)C2	ZINC000884345932	598076818	/nfs/dbraw/zinc/07/68/18/598076818.db2.gz	TZZLYCWYFPZFSZ-ISAPUHEYSA-N	1	3	342.487	1.396	20	30		EDEDHO
C#CCN(C(=O)NCC1CC[NH+](CCC)CC1)C1CCN(C)CC1	ZINC000915678216	695967151	/nfs/dbraw/zinc/96/71/51/695967151.db2.gz	LTTVGWIJGBFKGX-UHFFFAOYSA-N	1	3	334.508	1.847	20	30		EDEDHO
C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1NCc1ccc(C#N)s1	ZINC000939053982	699114164	/nfs/dbraw/zinc/11/41/64/699114164.db2.gz	CGVRZKLHYAVISL-CXAGYDPISA-N	1	3	346.500	1.898	20	30		EDEDHO
C#CCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CN3CC4CC3(C4)CO2)C(C)(C)C1	ZINC000940901660	700976650	/nfs/dbraw/zinc/97/66/50/700976650.db2.gz	PVPDEXXFZAVDDS-MUZJZNNISA-N	1	3	345.487	1.090	20	30		EDEDHO
C#CCC[N@H+]1CC[C@@H](NC(=O)[C@H]2CN3CC4CC3(C4)CO2)C(C)(C)C1	ZINC000940901660	700976651	/nfs/dbraw/zinc/97/66/51/700976651.db2.gz	PVPDEXXFZAVDDS-MUZJZNNISA-N	1	3	345.487	1.090	20	30		EDEDHO
C#CCN1CCC(C(=O)NCC2C[NH+](Cc3ccccc3C)C2)CC1	ZINC001032207323	702156080	/nfs/dbraw/zinc/15/60/80/702156080.db2.gz	MWVUOAZPGRUZOA-UHFFFAOYSA-N	1	3	339.483	1.888	20	30		EDEDHO
C#CCN1CCC(C(=O)N(CC)[C@@H]2CCC[N@H+](CC#C)CC2)CC1	ZINC000998198033	705503445	/nfs/dbraw/zinc/50/34/45/705503445.db2.gz	NAMCGXSTAZGPNH-LJQANCHMSA-N	1	3	329.488	1.668	20	30		EDEDHO
C#CCN1CCC(C(=O)N(CC)[C@@H]2CCC[N@@H+](CC#C)CC2)CC1	ZINC000998198033	705503446	/nfs/dbraw/zinc/50/34/46/705503446.db2.gz	NAMCGXSTAZGPNH-LJQANCHMSA-N	1	3	329.488	1.668	20	30		EDEDHO
C=C(C)CN1CC[C@H](n2cc(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)nn2)C1	ZINC000999988419	707662327	/nfs/dbraw/zinc/66/23/27/707662327.db2.gz	UWAGEYFLSOONFS-HYVNUMGLSA-N	1	3	346.479	1.057	20	30		EDEDHO
C=C(C)CN1CC[C@H](n2cc(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)nn2)C1	ZINC000999988419	707662330	/nfs/dbraw/zinc/66/23/30/707662330.db2.gz	UWAGEYFLSOONFS-HYVNUMGLSA-N	1	3	346.479	1.057	20	30		EDEDHO
N#Cc1ncn(CC[NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@@H]32)n1	ZINC000367520758	154158978	/nfs/dbraw/zinc/15/89/78/154158978.db2.gz	YPDGBIDJCFHKBV-OKZBNKHCSA-N	1	3	336.443	1.650	20	30		EDEDHO
N#Cc1ncn(CCN[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)n1	ZINC000367520758	154158982	/nfs/dbraw/zinc/15/89/82/154158982.db2.gz	YPDGBIDJCFHKBV-OKZBNKHCSA-N	1	3	336.443	1.650	20	30		EDEDHO
N#Cc1ncn(CCN[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)n1	ZINC000367520758	154158986	/nfs/dbraw/zinc/15/89/86/154158986.db2.gz	YPDGBIDJCFHKBV-OKZBNKHCSA-N	1	3	336.443	1.650	20	30		EDEDHO
CC[NH+]=C(NC[C@]1(O)CCSC1)NC1CCN(C2CC2)CC1	ZINC000127404384	276096033	/nfs/dbraw/zinc/09/60/33/276096033.db2.gz	KPIUHKCULKWFPK-MRXNPFEDSA-N	1	3	326.510	1.036	20	30		EDEDHO
CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@H]1C[NH+]2CCC1CC2	ZINC000370612853	289144930	/nfs/dbraw/zinc/14/49/30/289144930.db2.gz	SDIRZMPDVFCXMX-IBGZPJMESA-N	1	3	340.471	1.790	20	30		EDEDHO
C=CCN(CC=C)[C@@H](CNC(=O)[C@@]1(CCOC)CC[NH2+]C1)C(C)C	ZINC000378201445	447408101	/nfs/dbraw/zinc/40/81/01/447408101.db2.gz	CYLOPJPOKIOLDP-PKOBYXMFSA-N	1	3	337.508	1.817	20	30		EDEDHO
C[C@H](CNC(=[NH2+])Nc1ccc2c(c1)CCC2)CN1CCN(C)CC1	ZINC000264085448	443248541	/nfs/dbraw/zinc/24/85/41/443248541.db2.gz	JGMAMLBRXKCDDA-OAHLLOKOSA-N	1	3	329.492	1.785	20	30		EDEDHO
CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](C)Oc1ccc(OC)cc1	ZINC000267468485	443468127	/nfs/dbraw/zinc/46/81/27/443468127.db2.gz	XCTSPNVMUAOSET-HUUCEWRRSA-N	1	3	334.464	1.851	20	30		EDEDHO
CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@H](C)Oc1ccc(OC)cc1	ZINC000267468486	443468337	/nfs/dbraw/zinc/46/83/37/443468337.db2.gz	XCTSPNVMUAOSET-LSDHHAIUSA-N	1	3	334.464	1.851	20	30		EDEDHO
C#CCN1CCC(C(=O)N(C)CCC[N@H+](C)Cc2ccco2)CC1	ZINC000286363481	443698854	/nfs/dbraw/zinc/69/88/54/443698854.db2.gz	BZPMSJJRBYPKLB-UHFFFAOYSA-N	1	3	331.460	1.905	20	30		EDEDHO
C#CCN1CCC(C(=O)N(C)CCC[N@@H+](C)Cc2ccco2)CC1	ZINC000286363481	443698857	/nfs/dbraw/zinc/69/88/57/443698857.db2.gz	BZPMSJJRBYPKLB-UHFFFAOYSA-N	1	3	331.460	1.905	20	30		EDEDHO
Cn1cc(C[NH2+]CCCN2CCN(c3ccncc3)CC2)cc1C#N	ZINC000276950246	443876866	/nfs/dbraw/zinc/87/68/66/443876866.db2.gz	JMLLKSGBXJUXQI-UHFFFAOYSA-N	1	3	338.459	1.594	20	30		EDEDHO
C=CCN1CCC(NC(=O)N(CC[NH3+])CCc2ccccc2)CC1	ZINC000417525881	446361830	/nfs/dbraw/zinc/36/18/30/446361830.db2.gz	LRUPJVAPJMBMPX-UHFFFAOYSA-N	1	3	330.476	1.850	20	30		EDEDHO
COC[C@]1(C[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)CCCN1	ZINC000423419837	446526688	/nfs/dbraw/zinc/52/66/88/446526688.db2.gz	WKQCCCMGSNJPLR-LJQANCHMSA-N	1	3	328.460	1.885	20	30		EDEDHO
C=CCN(CC=C)C(=O)[C@H](C)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1	ZINC000367619825	446568835	/nfs/dbraw/zinc/56/88/35/446568835.db2.gz	WQBOUBHUQOCMHS-HKUYNNGSSA-N	1	3	348.535	1.676	20	30		EDEDHO
CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CCC[NH2+]CC1	ZINC000591360298	448344442	/nfs/dbraw/zinc/34/44/42/448344442.db2.gz	IQTGHICQXDLGKP-SFHVURJKSA-N	1	3	343.475	1.774	20	30		EDEDHO
CN1CCN(Cc2ccc(NC(=O)[C@H]([NH3+])CCCC#N)cc2)CC1	ZINC000566168884	448401755	/nfs/dbraw/zinc/40/17/55/448401755.db2.gz	VYZNXMCYFRHSPN-QGZVFWFLSA-N	1	3	329.448	1.394	20	30		EDEDHO
C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCC1CCC(C#N)CC1	ZINC000596596893	449566720	/nfs/dbraw/zinc/56/67/20/449566720.db2.gz	XEMMMBQFRBPJNA-GTPINHCMSA-N	1	3	337.512	1.888	20	30		EDEDHO
C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCC1CCC(C#N)CC1	ZINC000596596893	449566725	/nfs/dbraw/zinc/56/67/25/449566725.db2.gz	XEMMMBQFRBPJNA-GTPINHCMSA-N	1	3	337.512	1.888	20	30		EDEDHO
C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CC[C@@H](F)[C@H](N)C1)C(C)C	ZINC000659436968	452283381	/nfs/dbraw/zinc/28/33/81/452283381.db2.gz	WOUJOQIRANIDBR-OAGGEKHMSA-N	1	3	326.460	1.766	20	30		EDEDHO
CCN1CCC[C@H]1CNC(=[NH2+])NCCc1cc(OC)ccc1OC	ZINC000264066160	535597324	/nfs/dbraw/zinc/59/73/24/535597324.db2.gz	FBNTXZLHUHCQMT-HNNXBMFYSA-N	1	3	334.464	1.635	20	30		EDEDHO
CCN1CCN(C[C@@H](C)C[NH2+]Cc2cnc3ccc(C#N)cn23)CC1	ZINC000123628167	535708780	/nfs/dbraw/zinc/70/87/80/535708780.db2.gz	MJBIUKZFXUJTDP-INIZCTEOSA-N	1	3	340.475	1.569	20	30		EDEDHO
CCN1CCN(C[C@H](C)C[NH2+]Cc2cnc3ccc(C#N)cn23)CC1	ZINC000123628479	535716542	/nfs/dbraw/zinc/71/65/42/535716542.db2.gz	MJBIUKZFXUJTDP-MRXNPFEDSA-N	1	3	340.475	1.569	20	30		EDEDHO
C=CCCn1cc(CN2C[C@H]3CC[C@@H](C2)[N@H+]3C2CCNCC2)nn1	ZINC000903506076	592181997	/nfs/dbraw/zinc/18/19/97/592181997.db2.gz	NTWHLFAEVDHJHM-HDICACEKSA-N	1	3	330.480	1.255	20	30		EDEDHO
C=CCCn1cc(CN2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CCNCC2)nn1	ZINC000903506076	592181998	/nfs/dbraw/zinc/18/19/98/592181998.db2.gz	NTWHLFAEVDHJHM-HDICACEKSA-N	1	3	330.480	1.255	20	30		EDEDHO
C#CCCOc1ccc(C[NH2+]CCCN2CCC[C@H](C(N)=O)C2)cc1	ZINC000113336904	595712429	/nfs/dbraw/zinc/71/24/29/595712429.db2.gz	MWXZCPZFXGDMPT-SFHVURJKSA-N	1	3	343.471	1.766	20	30		EDEDHO
C#CCOc1ccc(C[NH2+]CCCN2CCC[C@H](C(N)=O)C2)cc1	ZINC000113336878	595712702	/nfs/dbraw/zinc/71/27/02/595712702.db2.gz	ZEXUFCMPLSRUQD-KRWDZBQOSA-N	1	3	329.444	1.376	20	30		EDEDHO
N#C[C@H]1C[NH2+]CC12CC(C(=O)Nc1ccc([C@@H]3CNCCO3)cc1)C2	ZINC000884408553	598096191	/nfs/dbraw/zinc/09/61/91/598096191.db2.gz	LHTSSWIDGGFACT-QZDWLRDRSA-N	1	3	340.427	1.425	20	30		EDEDHO
C#CCN(C(=O)NCCN(C)Cc1ccccc1)C1CC[NH+](C)CC1	ZINC000914333023	695365352	/nfs/dbraw/zinc/36/53/52/695365352.db2.gz	OHOHYRKOGCMYOX-UHFFFAOYSA-N	1	3	342.487	1.857	20	30		EDEDHO
C#CCN(C(=O)N[C@@H](C)C[N@@H+]1CCC[C@@H](C)C1)C1CCN(C)CC1	ZINC000914342041	695366726	/nfs/dbraw/zinc/36/67/26/695366726.db2.gz	VEYJJKXVTAPDIF-SJORKVTESA-N	1	3	334.508	1.846	20	30		EDEDHO
C#CCN(C(=O)N[C@@H](C)C[N@H+]1CCC[C@@H](C)C1)C1CCN(C)CC1	ZINC000914342041	695366727	/nfs/dbraw/zinc/36/67/27/695366727.db2.gz	VEYJJKXVTAPDIF-SJORKVTESA-N	1	3	334.508	1.846	20	30		EDEDHO
C#CCN(C(=O)NC[C@@H]1CC[N@@H+](CC(C)C)C1)C1CCN(C)CC1	ZINC000921426820	697603665	/nfs/dbraw/zinc/60/36/65/697603665.db2.gz	MWTJZRWTJOPIIU-KRWDZBQOSA-N	1	3	334.508	1.703	20	30		EDEDHO
C#CCN(C(=O)NC[C@@H]1CC[N@H+](CC(C)C)C1)C1CCN(C)CC1	ZINC000921426820	697603667	/nfs/dbraw/zinc/60/36/67/697603667.db2.gz	MWTJZRWTJOPIIU-KRWDZBQOSA-N	1	3	334.508	1.703	20	30		EDEDHO
C[C@H]1C[N@H+](C)C[C@H]1C(=O)N1CCC(NCc2ccccc2C#N)CC1	ZINC000997004192	703261211	/nfs/dbraw/zinc/26/12/11/703261211.db2.gz	BXIFALVDUUPYMP-HNAYVOBHSA-N	1	3	340.471	1.837	20	30		EDEDHO
C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCC(NCc2ccccc2C#N)CC1	ZINC000997004192	703261213	/nfs/dbraw/zinc/26/12/13/703261213.db2.gz	BXIFALVDUUPYMP-HNAYVOBHSA-N	1	3	340.471	1.837	20	30		EDEDHO
CC#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CN4CCC[C@H]4CO3)CC[C@@H]2C1	ZINC000946597965	704309220	/nfs/dbraw/zinc/30/92/20/704309220.db2.gz	SCUQFUNPLFROKZ-ZSYWTGECSA-N	1	3	345.487	1.043	20	30		EDEDHO
CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CN4CCC[C@H]4CO3)CC[C@@H]2C1	ZINC000946597965	704309221	/nfs/dbraw/zinc/30/92/21/704309221.db2.gz	SCUQFUNPLFROKZ-ZSYWTGECSA-N	1	3	345.487	1.043	20	30		EDEDHO
C=C(C)CC[N@H+]1CC[C@H](N(CC)C(=O)[C@H]2CN3CC4CC3(C4)CO2)C1	ZINC001033907165	709038732	/nfs/dbraw/zinc/03/87/32/709038732.db2.gz	QSYUMQWBFUXFJL-AGYKMIKPSA-N	1	3	347.503	1.739	20	30		EDEDHO
C=C(C)CC[N@@H+]1CC[C@H](N(CC)C(=O)[C@H]2CN3CC4CC3(C4)CO2)C1	ZINC001033907165	709038736	/nfs/dbraw/zinc/03/87/36/709038736.db2.gz	QSYUMQWBFUXFJL-AGYKMIKPSA-N	1	3	347.503	1.739	20	30		EDEDHO
C[NH+]1CCC(N2CCC(NC(=O)[C@]3(O)CCSC3)CC2)CC1	ZINC000328955578	539379200	/nfs/dbraw/zinc/37/92/00/539379200.db2.gz	IWJNXGFVWGRTSX-INIZCTEOSA-N	1	3	327.494	1.370	20	30		EDEDHO
CN(C)CCN(CC[NH+](C)C)C(=O)Nc1cnc(C#N)c(Cl)c1	ZINC000562624628	306303203	/nfs/dbraw/zinc/30/32/03/306303203.db2.gz	OFQKLNLAKKDWJL-UHFFFAOYSA-N	1	3	338.843	1.564	20	30		EDEDHO
C[C@@H]1C[N@H+](C[C@H](O)c2ccc(C#N)cc2)CC[C@H]1N1CCN(C)CC1	ZINC000360694591	152157380	/nfs/dbraw/zinc/15/73/80/152157380.db2.gz	YNEXCEXVFFYNNO-AHRSYUTCSA-N	1	3	342.487	1.549	20	30		EDEDHO
C[C@@H]1C[N@@H+](C[C@H](O)c2ccc(C#N)cc2)CC[C@H]1N1CCN(C)CC1	ZINC000360694591	152157383	/nfs/dbraw/zinc/15/73/83/152157383.db2.gz	YNEXCEXVFFYNNO-AHRSYUTCSA-N	1	3	342.487	1.549	20	30		EDEDHO
CCOC(=O)N1CCC(NC(=[NH2+])NC[C@@H](CC)N2CCCC2)CC1	ZINC000104166878	441190683	/nfs/dbraw/zinc/19/06/83/441190683.db2.gz	NLNCSSYDWAMMPS-OAHLLOKOSA-N	1	3	339.484	1.386	20	30		EDEDHO
CCN1CCC[C@@H]1CNC(=[NH2+])NCC[C@@H]1c2ccccc2NC1=O	ZINC000170907436	442286702	/nfs/dbraw/zinc/28/67/02/442286702.db2.gz	KRWNALLYQCDZOK-UKRRQHHQSA-N	1	3	329.448	1.501	20	30		EDEDHO
C/[NH+]=C(/NCc1cn2ccsc2n1)N[C@H]1CN(C(C)C)C[C@@H]1C	ZINC000262002207	443179037	/nfs/dbraw/zinc/17/90/37/443179037.db2.gz	UTAOQRIVNRHYLJ-JSGCOSHPSA-N	1	3	334.493	1.790	20	30		EDEDHO
COC[C@H](C)NC(=[NH2+])NCCCCN1CCN(c2ccccc2)CC1	ZINC000264116582	443249809	/nfs/dbraw/zinc/24/98/09/443249809.db2.gz	SYBHYFHSZDKKRA-KRWDZBQOSA-N	1	3	347.507	1.528	20	30		EDEDHO
COC[C@@H](C)NC(=[NH2+])NCc1ccccc1CN1CCC(O)CC1	ZINC000267431710	443455075	/nfs/dbraw/zinc/45/50/75/443455075.db2.gz	MTLCNSVFTNRYEC-CQSZACIVSA-N	1	3	334.464	1.083	20	30		EDEDHO
CCN1CCC[C@@H]1CNC(=[NH2+])NCc1ccnc(OC(F)F)c1	ZINC000284182840	443769196	/nfs/dbraw/zinc/76/91/96/443769196.db2.gz	XSZULPZOTNALGC-GFCCVEGCSA-N	1	3	327.379	1.572	20	30		EDEDHO
CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NCC[C@H]1CCC[NH2+]1	ZINC000418550614	446590651	/nfs/dbraw/zinc/59/06/51/446590651.db2.gz	OCARHHQLUFXKKZ-GOSISDBHSA-N	1	3	343.475	1.774	20	30		EDEDHO
C[C@H]1C[C@H](NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)CC[NH2+]1	ZINC000418596246	446608094	/nfs/dbraw/zinc/60/80/94/446608094.db2.gz	HCWXVNZRHUTMKH-MAUKXSAKSA-N	1	3	343.475	1.772	20	30		EDEDHO
C#CCNC(=O)CCN(C)C[C@@H]1CC[N@H+](Cc2ccc(C)s2)C1	ZINC000491475132	448037089	/nfs/dbraw/zinc/03/70/89/448037089.db2.gz	TYBDHUYMUYMEPN-INIZCTEOSA-N	1	3	333.501	1.950	20	30		EDEDHO
C#CCNC(=O)CCN(C)C[C@@H]1CC[N@@H+](Cc2ccc(C)s2)C1	ZINC000491475132	448037092	/nfs/dbraw/zinc/03/70/92/448037092.db2.gz	TYBDHUYMUYMEPN-INIZCTEOSA-N	1	3	333.501	1.950	20	30		EDEDHO
CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCC[NH2+]CC1	ZINC000591360297	448344261	/nfs/dbraw/zinc/34/42/61/448344261.db2.gz	IQTGHICQXDLGKP-GOSISDBHSA-N	1	3	343.475	1.774	20	30		EDEDHO
CN(CCC#N)C[C@@H](O)CNCc1ccccc1C[NH+]1CCCC1	ZINC000583688592	448460136	/nfs/dbraw/zinc/46/01/36/448460136.db2.gz	QUDPRXMAWBHPEA-IBGZPJMESA-N	1	3	330.476	1.578	20	30		EDEDHO
C=CCN(CC=C)[C@H](CNC(=O)c1cn([C@H]2CC[NH2+]C2)nn1)C(C)C	ZINC000649297130	451972663	/nfs/dbraw/zinc/97/26/63/451972663.db2.gz	KYYTWRZYYXSEEK-DOTOQJQBSA-N	1	3	346.479	1.241	20	30		EDEDHO
C=CC[NH+](CC=C)[C@H](CNC(=O)N1C[C@H](O)[C@@H](N(C)C)C1)C(C)C	ZINC000663667937	452406455	/nfs/dbraw/zinc/40/64/55/452406455.db2.gz	JGTHVGVBUPJZDK-IKGGRYGDSA-N	1	3	338.496	1.001	20	30		EDEDHO
CCN1CCC[C@@H]1CNC(=[NH2+])NCc1ccc2c(c1)OCCCO2	ZINC000104181648	529072992	/nfs/dbraw/zinc/07/29/92/529072992.db2.gz	BYROJYKUKXUSPB-OAHLLOKOSA-N	1	3	332.448	1.737	20	30		EDEDHO
C#CCSCCNC(=O)N(CCN(C)C)C[C@@H]1CCC[N@H+]1CC	ZINC000745834949	579564876	/nfs/dbraw/zinc/56/48/76/579564876.db2.gz	PRMVHEPJVJGPIP-INIZCTEOSA-N	1	3	340.537	1.410	20	30		EDEDHO
C#CCSCCNC(=O)N(CCN(C)C)C[C@@H]1CCC[N@@H+]1CC	ZINC000745834949	579564877	/nfs/dbraw/zinc/56/48/77/579564877.db2.gz	PRMVHEPJVJGPIP-INIZCTEOSA-N	1	3	340.537	1.410	20	30		EDEDHO
CN1CCC(N2CC[C@H]([NH2+]C[C@@H](O)c3ccc(C#N)cc3)C2)CC1	ZINC000819052813	593735900	/nfs/dbraw/zinc/73/59/00/593735900.db2.gz	FAWCMNYSRIQGLL-PKOBYXMFSA-N	1	3	328.460	1.350	20	30		EDEDHO
C#CCOc1ccc(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)cc1	ZINC000855345552	595681146	/nfs/dbraw/zinc/68/11/46/595681146.db2.gz	CSGPCHSDEBNLOA-INIZCTEOSA-N	1	3	331.460	1.700	20	30		EDEDHO
C#CCOc1ccc(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)cc1	ZINC000855345552	595681148	/nfs/dbraw/zinc/68/11/48/595681148.db2.gz	CSGPCHSDEBNLOA-INIZCTEOSA-N	1	3	331.460	1.700	20	30		EDEDHO
CC(C)(O)[C@@H]1CCCN(CC#CC[N@@H+]2CCC[C@@H](C(C)(C)O)C2)C1	ZINC000879963239	597786437	/nfs/dbraw/zinc/78/64/37/597786437.db2.gz	HTIULDBESDWLPB-QZTJIDSGSA-N	1	3	336.520	1.956	20	30		EDEDHO
CC(C)(O)[C@@H]1CCCN(CC#CC[N@H+]2CCC[C@@H](C(C)(C)O)C2)C1	ZINC000879963239	597786438	/nfs/dbraw/zinc/78/64/38/597786438.db2.gz	HTIULDBESDWLPB-QZTJIDSGSA-N	1	3	336.520	1.956	20	30		EDEDHO
C#CCN(C(=O)NC[C@H](C)[N@@H+]1CCC[C@@H](C)C1)C1CCN(C)CC1	ZINC000914074735	695069643	/nfs/dbraw/zinc/06/96/43/695069643.db2.gz	LJLFODAYDCXOPX-SJORKVTESA-N	1	3	334.508	1.846	20	30		EDEDHO
C#CCN(C(=O)NC[C@H](C)[N@H+]1CCC[C@@H](C)C1)C1CCN(C)CC1	ZINC000914074735	695069646	/nfs/dbraw/zinc/06/96/46/695069646.db2.gz	LJLFODAYDCXOPX-SJORKVTESA-N	1	3	334.508	1.846	20	30		EDEDHO
C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H](NCc3ccc(C#N)s3)C(C)(C)C2)C1	ZINC000996607559	702910762	/nfs/dbraw/zinc/91/07/62/702910762.db2.gz	CRNCPJHWUBAXJA-CZUORRHYSA-N	1	3	346.500	1.898	20	30		EDEDHO
C[N@H+]1CC[C@@H](C(=O)N2C[C@@H](NCc3ccc(C#N)s3)C(C)(C)C2)C1	ZINC000996607559	702910764	/nfs/dbraw/zinc/91/07/64/702910764.db2.gz	CRNCPJHWUBAXJA-CZUORRHYSA-N	1	3	346.500	1.898	20	30		EDEDHO
CN(C)[C@H](C(=O)N1CCC[C@H]([NH2+]Cc2cccc(C#N)c2)C1)C1CC1	ZINC000999366988	706880931	/nfs/dbraw/zinc/88/09/31/706880931.db2.gz	DDTMTYWJKZRWMC-OALUTQOASA-N	1	3	340.471	1.979	20	30		EDEDHO
C=C(C)CC[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CN3CC4CC3(C4)CO2)C1	ZINC001033277694	707343630	/nfs/dbraw/zinc/34/36/30/707343630.db2.gz	GKSZDZQWRABHGV-VZDIDWBNSA-N	1	3	333.476	1.349	20	30		EDEDHO
C=C(C)CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CN3CC4CC3(C4)CO2)C1	ZINC001033277694	707343634	/nfs/dbraw/zinc/34/36/34/707343634.db2.gz	GKSZDZQWRABHGV-VZDIDWBNSA-N	1	3	333.476	1.349	20	30		EDEDHO
C=C(C)CC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CN3CC4CC3(C4)CO2)C1	ZINC001033277685	707343761	/nfs/dbraw/zinc/34/37/61/707343761.db2.gz	GKSZDZQWRABHGV-DHADLLTHSA-N	1	3	333.476	1.349	20	30		EDEDHO
C=C(C)CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CN3CC4CC3(C4)CO2)C1	ZINC001033277685	707343765	/nfs/dbraw/zinc/34/37/65/707343765.db2.gz	GKSZDZQWRABHGV-DHADLLTHSA-N	1	3	333.476	1.349	20	30		EDEDHO
C=C(C)CC[NH+]1CCC(NC(=O)[C@H]2CN3CC4CC3(C4)CO2)CC1	ZINC001003330754	710265356	/nfs/dbraw/zinc/26/53/56/710265356.db2.gz	CLTGNIHXTJPKJU-URSIVYNOSA-N	1	3	333.476	1.396	20	30		EDEDHO
N#Cc1ccc2c(c1)[C@@H]([NH2+]CCCN1CCC[C@@H](C(N)=O)C1)CC2	ZINC000353422314	149398878	/nfs/dbraw/zinc/39/88/78/149398878.db2.gz	BGPQLPJBTFHIMR-AEFFLSMTSA-N	1	3	326.444	1.723	20	30		EDEDHO
CCO[C@@H](CC[NH+](C)C)CNC(=O)C(C#N)Cc1ccc(C#N)cc1	ZINC000279394028	266290535	/nfs/dbraw/zinc/29/05/35/266290535.db2.gz	AMLILRZTCKBCTG-MSOLQXFVSA-N	1	3	342.443	1.714	20	30		EDEDHO
CCNC(NCc1ccccc1CN1CCN(CC)CC1)=[NH+]CC	ZINC000066243418	441515800	/nfs/dbraw/zinc/51/58/00/441515800.db2.gz	DWTZWPQPDOMTGL-UHFFFAOYSA-N	1	3	331.508	1.899	20	30		EDEDHO
CN(CCOc1ccccc1C#N)CCN(C)C1CC[NH+](C)CC1	ZINC000126415714	442109682	/nfs/dbraw/zinc/10/96/82/442109682.db2.gz	YXBUUDPGGGMQTL-UHFFFAOYSA-N	1	3	330.476	1.895	20	30		EDEDHO
C=C(C)CN1CCC(NC(=O)[C@@H]([NH2+]C2CCOCC2)C(C)C)CC1	ZINC000173161053	442613841	/nfs/dbraw/zinc/61/38/41/442613841.db2.gz	GBPAPVDHJSUFQN-SFHVURJKSA-N	1	3	337.508	1.936	20	30		EDEDHO
CCN1CCC[C@H]1CNC(=[NH2+])NCCCNC(=O)c1occc1C	ZINC000267395157	443442949	/nfs/dbraw/zinc/44/29/49/443442949.db2.gz	DVQMKEJGEZJURB-AWEZNQCLSA-N	1	3	335.452	1.097	20	30		EDEDHO
C[C@@H]1C[C@H](NC(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)CCN1C	ZINC000329770581	444710324	/nfs/dbraw/zinc/71/03/24/444710324.db2.gz	IYLMFKLOKJKZAX-HLLBOEOZSA-N	1	3	338.496	1.474	20	30		EDEDHO
CC[C@@]1(O)CCN(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C1	ZINC000330286111	444923488	/nfs/dbraw/zinc/92/34/88/444923488.db2.gz	ZOCPNJLVFYBTQA-GOSISDBHSA-N	1	3	338.496	1.306	20	30		EDEDHO
CCOCCCN1CC[C@H]([NH2+][C@H](C)C(=O)N(C)CCC#N)[C@@H](C)C1	ZINC000360957103	445741046	/nfs/dbraw/zinc/74/10/46/445741046.db2.gz	OEHLTCMXFBHFKN-BBWFWOEESA-N	1	3	338.496	1.474	20	30		EDEDHO
C=C[C@@H]1OCC[C@H]1NC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1	ZINC000580448967	448948272	/nfs/dbraw/zinc/94/82/72/448948272.db2.gz	AWQOUCYYTXJHOR-MSOLQXFVSA-N	1	3	335.492	1.642	20	30		EDEDHO
CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C[C@H]1CC[N@H+](C)C1	ZINC000602069832	449321111	/nfs/dbraw/zinc/32/11/11/449321111.db2.gz	FGLOWLFKOSJWFQ-GOSISDBHSA-N	1	3	328.460	1.790	20	30		EDEDHO
CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C[C@H]1CC[N@@H+](C)C1	ZINC000602069832	449321121	/nfs/dbraw/zinc/32/11/21/449321121.db2.gz	FGLOWLFKOSJWFQ-GOSISDBHSA-N	1	3	328.460	1.790	20	30		EDEDHO
CCc1nc(C#N)cc(NC2CCN(C3CC[NH+](C)CC3)CC2)n1	ZINC000596100862	449362192	/nfs/dbraw/zinc/36/21/92/449362192.db2.gz	CFJMPHDAZASDQN-UHFFFAOYSA-N	1	3	328.464	1.881	20	30		EDEDHO
CC(C#N)S(=O)(=O)c1ccc(NC(=O)N[C@]2(C)CC[NH2+]C2)cc1	ZINC000596124713	449375283	/nfs/dbraw/zinc/37/52/83/449375283.db2.gz	YWVUQILSJZIVEE-XHDPSFHLSA-N	1	3	336.417	1.246	20	30		EDEDHO
N#CCc1cccc2c1CC[N@@H+](C[C@@H]1CCCN(C(=O)CN)C1)C2	ZINC000600776889	449543603	/nfs/dbraw/zinc/54/36/03/449543603.db2.gz	YFNYAIAHQIYVNP-HNNXBMFYSA-N	1	3	326.444	1.308	20	30		EDEDHO
N#CCc1cccc2c1CC[N@H+](C[C@@H]1CCCN(C(=O)CN)C1)C2	ZINC000600776889	449543606	/nfs/dbraw/zinc/54/36/06/449543606.db2.gz	YFNYAIAHQIYVNP-HNNXBMFYSA-N	1	3	326.444	1.308	20	30		EDEDHO
C[C@@H]1C[N@H+](CCCNC[C@H](O)COc2ccccc2C#N)CCCO1	ZINC000600735418	449524455	/nfs/dbraw/zinc/52/44/55/449524455.db2.gz	SYQHSMNNONNGQV-AEFFLSMTSA-N	1	3	347.459	1.388	20	30		EDEDHO
C[C@@H]1C[N@@H+](CCCNC[C@H](O)COc2ccccc2C#N)CCCO1	ZINC000600735418	449524460	/nfs/dbraw/zinc/52/44/60/449524460.db2.gz	SYQHSMNNONNGQV-AEFFLSMTSA-N	1	3	347.459	1.388	20	30		EDEDHO
C[C@@H](CN(C)CCC[NH+](C)C)NCc1cnc2ccc(C#N)cn12	ZINC000594962346	449821369	/nfs/dbraw/zinc/82/13/69/449821369.db2.gz	DBTVRQDYALXIQV-HNNXBMFYSA-N	1	3	328.464	1.568	20	30		EDEDHO
C[NH+]1CCC(N2CCC(NC(=O)N3CC[C@@](C)(C#N)C3)CC2)CC1	ZINC000595489476	450180212	/nfs/dbraw/zinc/18/02/12/450180212.db2.gz	SNHLVGSQTWPIGE-SFHVURJKSA-N	1	3	333.480	1.490	20	30		EDEDHO
OC[C@]12CCC[C@H]1CN(CC#CC[N@H+]1C[C@@H]3CCC[C@]3(CO)C1)C2	ZINC000626015386	450554169	/nfs/dbraw/zinc/55/41/69/450554169.db2.gz	TZBLKHUPEDTRNX-VNTMZGSJSA-N	1	3	332.488	1.179	20	30		EDEDHO
CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CCN(C)c2ccccc21	ZINC000245899409	535549315	/nfs/dbraw/zinc/54/93/15/535549315.db2.gz	JUFQIVAHQZYKAM-HZPDHXFCSA-N	1	3	329.492	1.999	20	30		EDEDHO
CCN(Cc1ccccc1)C(=O)CNC(=[NH2+])NC[C@@H]1CCCN1CC	ZINC000264074422	535787440	/nfs/dbraw/zinc/78/74/40/535787440.db2.gz	FEBDNLDEXSYDLZ-KRWDZBQOSA-N	1	3	345.491	1.424	20	30		EDEDHO
C#CCN1CCC(C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)CC1	ZINC000733160656	578746243	/nfs/dbraw/zinc/74/62/43/578746243.db2.gz	RGKXSVHLUSADSN-SFHVURJKSA-N	1	3	333.476	1.091	20	30		EDEDHO
C[C@@H]1CN(Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CC(=O)NCCC#N	ZINC000787301606	580692314	/nfs/dbraw/zinc/69/23/14/580692314.db2.gz	IZGUXMNHAIRVOT-MNZLEMJZSA-N	1	3	328.460	1.762	20	30		EDEDHO
C#CCN(C)CCCNC(=O)NC[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1	ZINC000895057102	591550774	/nfs/dbraw/zinc/55/07/74/591550774.db2.gz	RIMPFTHQBKTUTO-MOPGFXCFSA-N	1	3	342.487	1.586	20	30		EDEDHO
C#CCN(C)CCCNC(=O)NC[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1	ZINC000895057102	591550777	/nfs/dbraw/zinc/55/07/77/591550777.db2.gz	RIMPFTHQBKTUTO-MOPGFXCFSA-N	1	3	342.487	1.586	20	30		EDEDHO
CC(C)(Cc1ccc(C#N)cc1)[NH2+]C[C@@H]1CCCN(C(=O)CN)C1	ZINC000903988061	592406466	/nfs/dbraw/zinc/40/64/66/592406466.db2.gz	NCRQVYPCEXHKDP-KRWDZBQOSA-N	1	3	328.460	1.666	20	30		EDEDHO
C=C(Cl)C[C@@H](N)C(=O)NCC1CC[NH+](C2CCOCC2)CC1	ZINC000876957744	597396956	/nfs/dbraw/zinc/39/69/56/597396956.db2.gz	FMWXHAXIKIKWGQ-OAHLLOKOSA-N	1	3	329.872	1.464	20	30		EDEDHO
N#C[C@@H]1C[NH2+]CC12CC(C(=O)N1CCN(CC3CCCCC3)CC1)C2	ZINC000884185097	598017701	/nfs/dbraw/zinc/01/77/01/598017701.db2.gz	KZUWWGRJJQCELJ-QPIRBTGLSA-N	1	3	344.503	1.850	20	30		EDEDHO
N#C[C@@H]1C[NH2+]CC12CC(C(=O)Nc1ccc3c(c1)CNCCO3)C2	ZINC000884291858	598057123	/nfs/dbraw/zinc/05/71/23/598057123.db2.gz	JSEQRQLHZVKDFX-TXKKKEFDSA-N	1	3	326.400	1.246	20	30		EDEDHO
N#C[C@H]1CNCC12CC(C(=O)N[C@@H](CCC[NH3+])c1ccccc1)C2	ZINC000884337091	598073387	/nfs/dbraw/zinc/07/33/87/598073387.db2.gz	CXNNHPHJCWWJOM-VIHIWDAPSA-N	1	3	326.444	1.722	20	30		EDEDHO
C#CCN(C(=O)NC[C@@H](C)[N@@H+]1CCC[C@@H](C)C1)C1CCN(C)CC1	ZINC000914074733	695069659	/nfs/dbraw/zinc/06/96/59/695069659.db2.gz	LJLFODAYDCXOPX-IAGOWNOFSA-N	1	3	334.508	1.846	20	30		EDEDHO
C#CCN(C(=O)NC[C@@H](C)[N@H+]1CCC[C@@H](C)C1)C1CCN(C)CC1	ZINC000914074733	695069664	/nfs/dbraw/zinc/06/96/64/695069664.db2.gz	LJLFODAYDCXOPX-IAGOWNOFSA-N	1	3	334.508	1.846	20	30		EDEDHO
C=C(C)CN1CC[C@H](N(CC)C(=O)c2ccn(CC[NH+](C)C)n2)C1	ZINC001033838718	708868888	/nfs/dbraw/zinc/86/88/88/708868888.db2.gz	SVIZDMKBVSIALU-INIZCTEOSA-N	1	3	333.480	1.557	20	30		EDEDHO
C#CCN1CCC(C(=O)N(CC)[C@H]2CC[N@H+](C[C@H](C)OC)C2)CC1	ZINC001034046690	709299680	/nfs/dbraw/zinc/29/96/80/709299680.db2.gz	UGTSQDANWXMOLU-WMZOPIPTSA-N	1	3	335.492	1.289	20	30		EDEDHO
C#CCN1CCC(C(=O)N(CC)[C@H]2CC[N@@H+](C[C@H](C)OC)C2)CC1	ZINC001034046690	709299682	/nfs/dbraw/zinc/29/96/82/709299682.db2.gz	UGTSQDANWXMOLU-WMZOPIPTSA-N	1	3	335.492	1.289	20	30		EDEDHO
C=C(C)CN1CCCC[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1	ZINC001034211130	709562600	/nfs/dbraw/zinc/56/26/00/709562600.db2.gz	YEPLOLVVMXIQKI-MRXNPFEDSA-N	1	3	333.480	1.605	20	30		EDEDHO
C#CCCN1CCCC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)C1	ZINC001034241248	709626376	/nfs/dbraw/zinc/62/63/76/709626376.db2.gz	PPQYWWRERCOQAK-MJGOQNOKSA-N	1	3	347.503	1.624	20	30		EDEDHO
C#CCCN1CCCC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C1	ZINC001034241248	709626379	/nfs/dbraw/zinc/62/63/79/709626379.db2.gz	PPQYWWRERCOQAK-MJGOQNOKSA-N	1	3	347.503	1.624	20	30		EDEDHO
C#CCC[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCCN2C2CCOCC2)C1	ZINC001034241248	709626382	/nfs/dbraw/zinc/62/63/82/709626382.db2.gz	PPQYWWRERCOQAK-MJGOQNOKSA-N	1	3	347.503	1.624	20	30		EDEDHO
C#CCC[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCCN2C2CCOCC2)C1	ZINC001034241248	709626385	/nfs/dbraw/zinc/62/63/85/709626385.db2.gz	PPQYWWRERCOQAK-MJGOQNOKSA-N	1	3	347.503	1.624	20	30		EDEDHO
N#Cc1ncn(CCNC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)n1	ZINC000367691535	154232205	/nfs/dbraw/zinc/23/22/05/154232205.db2.gz	VBDYCRZLWFPVPP-AYHJJNSGSA-N	1	3	336.443	1.935	20	30		EDEDHO
N#Cc1ncn(CCNC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)n1	ZINC000367691535	154232207	/nfs/dbraw/zinc/23/22/07/154232207.db2.gz	VBDYCRZLWFPVPP-AYHJJNSGSA-N	1	3	336.443	1.935	20	30		EDEDHO
CN1CCC([C@H]2CC[N@H+](C[C@H]3CNc4c(C#N)cnn4C3)C2)CC1	ZINC000518188176	267333815	/nfs/dbraw/zinc/33/38/15/267333815.db2.gz	ZPZFEBIXWGXPHM-ZBFHGGJFSA-N	1	3	328.464	1.460	20	30		EDEDHO
CN1CCC([C@H]2CC[N@@H+](C[C@H]3CNc4c(C#N)cnn4C3)C2)CC1	ZINC000518188176	267333818	/nfs/dbraw/zinc/33/38/18/267333818.db2.gz	ZPZFEBIXWGXPHM-ZBFHGGJFSA-N	1	3	328.464	1.460	20	30		EDEDHO
C=CCN1CCC(NC(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)CC1	ZINC000074132525	441397174	/nfs/dbraw/zinc/39/71/74/441397174.db2.gz	ZWVBQQFZIBTHLT-QGZVFWFLSA-N	1	3	338.496	1.389	20	30		EDEDHO
C=CCN(CC=C)[C@@H](CNC(=O)C1(COC)CC[NH2+]CC1)C(C)C	ZINC000279957782	443649958	/nfs/dbraw/zinc/64/99/58/443649958.db2.gz	USEDTPOEEUJSDA-KRWDZBQOSA-N	1	3	337.508	1.817	20	30		EDEDHO
C#CCNC(=O)CCN[C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C	ZINC000294519273	444120510	/nfs/dbraw/zinc/12/05/10/444120510.db2.gz	JCGAYSBKVHXIRS-YRWFTTLQSA-N	1	3	327.472	1.872	20	30		EDEDHO
C#CCNC(=O)CCN[C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C	ZINC000294519273	444120515	/nfs/dbraw/zinc/12/05/15/444120515.db2.gz	JCGAYSBKVHXIRS-YRWFTTLQSA-N	1	3	327.472	1.872	20	30		EDEDHO
C#CCN(C)CCCNC(=O)NCc1cccc(C[N@@H+](C)CC)c1	ZINC000297034683	444269390	/nfs/dbraw/zinc/26/93/90/444269390.db2.gz	WDZMPSCJDLCGJD-UHFFFAOYSA-N	1	3	330.476	1.893	20	30		EDEDHO
C#CCN(C)CCCNC(=O)NCc1cccc(C[N@H+](C)CC)c1	ZINC000297034683	444269392	/nfs/dbraw/zinc/26/93/92/444269392.db2.gz	WDZMPSCJDLCGJD-UHFFFAOYSA-N	1	3	330.476	1.893	20	30		EDEDHO
CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@]1(CO)C[C@H]1c1ccccc1	ZINC000290614898	444301609	/nfs/dbraw/zinc/30/16/09/444301609.db2.gz	JUMPARKHAZFMPV-AOIWGVFYSA-N	1	3	330.476	1.541	20	30		EDEDHO
C(#CC[N@@H+]1CC[C@H]([C@@H]2CCOC2)C1)CN1CC[C@H]([C@@H]2CCOC2)C1	ZINC000367080447	446505182	/nfs/dbraw/zinc/50/51/82/446505182.db2.gz	LCEVFPDUAIXEJL-VNTMZGSJSA-N	1	3	332.488	1.707	20	30		EDEDHO
C(#CC[N@H+]1CC[C@H]([C@@H]2CCOC2)C1)CN1CC[C@H]([C@@H]2CCOC2)C1	ZINC000367080447	446505190	/nfs/dbraw/zinc/50/51/90/446505190.db2.gz	LCEVFPDUAIXEJL-VNTMZGSJSA-N	1	3	332.488	1.707	20	30		EDEDHO
C#C[C@H]1COCCN1C(=O)C1CCN(C2CC[NH+](CC)CC2)CC1	ZINC000491653135	448071538	/nfs/dbraw/zinc/07/15/38/448071538.db2.gz	BZKTYHUFCHRLMB-KRWDZBQOSA-N	1	3	333.476	1.043	20	30		EDEDHO
CC(CCN1CC[C@@](O)(CC#N)C1)CC[N@@H+]1CC[C@@](O)(CC#N)C1	ZINC000592153306	448714607	/nfs/dbraw/zinc/71/46/07/448714607.db2.gz	LRHBQKQFUXULJC-ROUUACIJSA-N	1	3	334.464	1.104	20	30		EDEDHO
CC(CCN1CC[C@@](O)(CC#N)C1)CC[N@H+]1CC[C@@](O)(CC#N)C1	ZINC000592153306	448714609	/nfs/dbraw/zinc/71/46/09/448714609.db2.gz	LRHBQKQFUXULJC-ROUUACIJSA-N	1	3	334.464	1.104	20	30		EDEDHO
N#CCCCC[C@H]([NH3+])C(=O)NCC1(N2CCSCC2)CCCC1	ZINC000594440964	449519891	/nfs/dbraw/zinc/51/98/91/449519891.db2.gz	KEYBISRIPIDNNY-HNNXBMFYSA-N	1	3	338.521	1.875	20	30		EDEDHO
CN(CCC1CCN(c2cc[nH+]cc2)CC1)CC(=O)NCCC#N	ZINC000771460090	580287251	/nfs/dbraw/zinc/28/72/51/580287251.db2.gz	AFDPUHZGHKQMEM-UHFFFAOYSA-N	1	3	329.448	1.650	20	30		EDEDHO
C[NH+]1CCC(CN[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1	ZINC000894005017	591166088	/nfs/dbraw/zinc/16/60/88/591166088.db2.gz	FRSNJBPKHYFYCJ-SFHVURJKSA-N	1	3	326.444	1.591	20	30		EDEDHO
N#CCCC[C@@H](N)C(=O)Nc1ccccc1C(=O)OC1CC[NH2+]CC1	ZINC000818539175	593703858	/nfs/dbraw/zinc/70/38/58/593703858.db2.gz	TVMGOMHMDMOAKM-OAHLLOKOSA-N	1	3	344.415	1.555	20	30		EDEDHO
CN(CCC#N)C[C@@H](O)C[NH2+]C1CCN(CC2CCCCC2)CC1	ZINC000818984127	593732163	/nfs/dbraw/zinc/73/21/63/593732163.db2.gz	XSIDFFKFZUVDTD-IBGZPJMESA-N	1	3	336.524	1.827	20	30		EDEDHO
CCN1CCN(CCCC[NH2+]C[C@@H](O)c2ccc(C#N)cc2)CC1	ZINC000819063204	593736746	/nfs/dbraw/zinc/73/67/46/593736746.db2.gz	XLABOLOZCOFCHQ-LJQANCHMSA-N	1	3	330.476	1.599	20	30		EDEDHO
C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1ccccc1OCC#N	ZINC000855346059	595680917	/nfs/dbraw/zinc/68/09/17/595680917.db2.gz	MYLXJRNHQDHJQO-HNNXBMFYSA-N	1	3	332.448	1.591	20	30		EDEDHO
C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1ccccc1OCC#N	ZINC000855346059	595680920	/nfs/dbraw/zinc/68/09/20/595680920.db2.gz	MYLXJRNHQDHJQO-HNNXBMFYSA-N	1	3	332.448	1.591	20	30		EDEDHO
C=C(Cl)C[C@@H](N)C(=O)Nc1ccnn1C1CC[NH+](CC)CC1	ZINC000876712531	597299726	/nfs/dbraw/zinc/29/97/26/597299726.db2.gz	AGGDNXZHDJAYDA-CYBMUJFWSA-N	1	3	325.844	1.948	20	30		EDEDHO
COc1ccc(CN(C)C)cc1NC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N	ZINC000884193849	598022734	/nfs/dbraw/zinc/02/27/34/598022734.db2.gz	QZBCVMKNUVTXBO-XAUUPUKJSA-N	1	3	342.443	1.835	20	30		EDEDHO
N#C[C@@H]1CNCC12CC(C(=O)NCC1CC[NH+](CC3CC3)CC1)C2	ZINC000884420400	598100172	/nfs/dbraw/zinc/10/01/72/598100172.db2.gz	RKXLZTJKTHJPJY-TVRKMHQQSA-N	1	3	330.476	1.364	20	30		EDEDHO
C=CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CN3CC4CC3(C4)CO2)C(C)(C)C1	ZINC000940908162	700980077	/nfs/dbraw/zinc/98/00/77/700980077.db2.gz	JJVFTGGYVKBNEQ-BHEGOAEISA-N	1	3	333.476	1.252	20	30		EDEDHO
C=CC[N@H+]1CC[C@H](NC(=O)[C@H]2CN3CC4CC3(C4)CO2)C(C)(C)C1	ZINC000940908162	700980078	/nfs/dbraw/zinc/98/00/78/700980078.db2.gz	JJVFTGGYVKBNEQ-BHEGOAEISA-N	1	3	333.476	1.252	20	30		EDEDHO
C#CCN1CCC(C(=O)NCC2C[NH+](CCc3ccccc3)C2)CC1	ZINC001032207223	702116682	/nfs/dbraw/zinc/11/66/82/702116682.db2.gz	IGUZYGPUCJGLBD-UHFFFAOYSA-N	1	3	339.483	1.622	20	30		EDEDHO
C#CCN1CCC(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CC2CCOCC2)CC1	ZINC001032800441	708080874	/nfs/dbraw/zinc/08/08/74/708080874.db2.gz	JEJCJFHBPPODCS-OALUTQOASA-N	1	3	345.487	1.043	20	30		EDEDHO
C#CCN1CCC(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CC2CCOCC2)CC1	ZINC001032800441	708080876	/nfs/dbraw/zinc/08/08/76/708080876.db2.gz	JEJCJFHBPPODCS-OALUTQOASA-N	1	3	345.487	1.043	20	30		EDEDHO
N#Cc1ccc2c(c1)[C@@H]([NH2+]CCCCN1CCN(CCO)CC1)CC2	ZINC000353248515	149339232	/nfs/dbraw/zinc/33/92/32/149339232.db2.gz	BAOAHROWBJLSGF-FQEVSTJZSA-N	1	3	342.487	1.525	20	30		EDEDHO
N#Cc1ccc2c(c1)[C@@H](NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)CC2	ZINC000423380952	270012231	/nfs/dbraw/zinc/01/22/31/270012231.db2.gz	FCARJHOSTMQURA-JKSUJKDBSA-N	1	3	338.377	1.971	20	30		EDEDHO
C=CC[N@@H+](Cc1ccc(OC)cc1)C[C@H]1CCCN(C(=O)CN)C1	ZINC000414686175	447317816	/nfs/dbraw/zinc/31/78/16/447317816.db2.gz	FNPBUXMJYPQNIL-QGZVFWFLSA-N	1	3	331.460	1.881	20	30		EDEDHO
C=CC[N@H+](Cc1ccc(OC)cc1)C[C@H]1CCCN(C(=O)CN)C1	ZINC000414686175	447317825	/nfs/dbraw/zinc/31/78/25/447317825.db2.gz	FNPBUXMJYPQNIL-QGZVFWFLSA-N	1	3	331.460	1.881	20	30		EDEDHO
C=CCOc1ccc(CN[C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)cc1	ZINC000414988510	447387021	/nfs/dbraw/zinc/38/70/21/447387021.db2.gz	MCKDMCBVCUTGLE-QUCCMNQESA-N	1	3	343.471	1.988	20	30		EDEDHO
CN(CCOc1ccc(C#N)cc1)CCN(C)C1CC[NH+](C)CC1	ZINC000177375100	442334134	/nfs/dbraw/zinc/33/41/34/442334134.db2.gz	FINJHAJFMKIAPS-UHFFFAOYSA-N	1	3	330.476	1.895	20	30		EDEDHO
CCCNC(=O)c1cccc(CNC(=[NH2+])NC[C@H]2CCCN2CC)c1	ZINC000264094750	443248801	/nfs/dbraw/zinc/24/88/01/443248801.db2.gz	MCOYKTGFTHEBSE-QGZVFWFLSA-N	1	3	345.491	1.715	20	30		EDEDHO
CCCCCCNC(=[NH2+])NC[C@H](O)CN1CCc2ccccc2C1	ZINC000264116321	443249730	/nfs/dbraw/zinc/24/97/30/443249730.db2.gz	SQKURMJSXLDQPB-SFHVURJKSA-N	1	3	332.492	1.890	20	30		EDEDHO
CN(CCNc1nc(NCC[N@H+](C)C2CC2)ccc1C#N)C1CC1	ZINC000278169068	444110894	/nfs/dbraw/zinc/11/08/94/444110894.db2.gz	CLPWBVNKXUQRJV-UHFFFAOYSA-N	1	3	328.464	1.965	20	30		EDEDHO
CN(CCNc1nc(NCC[N@@H+](C)C2CC2)ccc1C#N)C1CC1	ZINC000278169068	444110898	/nfs/dbraw/zinc/11/08/98/444110898.db2.gz	CLPWBVNKXUQRJV-UHFFFAOYSA-N	1	3	328.464	1.965	20	30		EDEDHO
C[C@@H]1CC[C@](CO)(N(C)CC#CC[N@H+](C)[C@]2(CO)CC[C@H](C)C2)C1	ZINC000342168968	444545645	/nfs/dbraw/zinc/54/56/45/444545645.db2.gz	OVNOUZSETNDTFY-JVSBHGNQSA-N	1	3	336.520	1.956	20	30		EDEDHO
C[C@@H]1CC[C@](CO)(N(C)CC#CC[N@@H+](C)[C@]2(CO)CC[C@H](C)C2)C1	ZINC000342168968	444545648	/nfs/dbraw/zinc/54/56/48/444545648.db2.gz	OVNOUZSETNDTFY-JVSBHGNQSA-N	1	3	336.520	1.956	20	30		EDEDHO
C[C@@H]1CC[C@](CO)([N@@H+](C)CC#CCN(C)[C@]2(CO)CC[C@H](C)C2)C1	ZINC000342168968	444545650	/nfs/dbraw/zinc/54/56/50/444545650.db2.gz	OVNOUZSETNDTFY-JVSBHGNQSA-N	1	3	336.520	1.956	20	30		EDEDHO
C[C@@H]1CC[C@](CO)([N@H+](C)CC#CCN(C)[C@]2(CO)CC[C@H](C)C2)C1	ZINC000342168968	444545651	/nfs/dbraw/zinc/54/56/51/444545651.db2.gz	OVNOUZSETNDTFY-JVSBHGNQSA-N	1	3	336.520	1.956	20	30		EDEDHO
CC(C)[NH+]1CCC(NC(=O)CNC2(CO)Cc3ccccc3C2)CC1	ZINC000329730741	444695406	/nfs/dbraw/zinc/69/54/06/444695406.db2.gz	PPDHXCAJWATZFZ-UHFFFAOYSA-N	1	3	345.487	1.935	20	30		EDEDHO
C[C@H]1C[NH2+]CC[C@H]1NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1	ZINC000418584860	446603793	/nfs/dbraw/zinc/60/37/93/446603793.db2.gz	COQGWOLZKRODOR-MAUKXSAKSA-N	1	3	343.475	1.629	20	30		EDEDHO
CC(C#N)S(=O)(=O)c1ccc(NC(=O)NC(C)(C)CC[NH3+])cc1	ZINC000422575178	447649695	/nfs/dbraw/zinc/64/96/95/447649695.db2.gz	ORSWWUUKUXYPOL-NSHDSACASA-N	1	3	338.433	1.621	20	30		EDEDHO
C#C[C@H](NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)C(C)(C)C	ZINC000491231457	447968579	/nfs/dbraw/zinc/96/85/79/447968579.db2.gz	UAWAPRBRPNFMCV-KRWDZBQOSA-N	1	3	334.508	1.892	20	30		EDEDHO
CSC1(CNCc2cnc3c(C#N)cnn3c2)CC[NH+](C)CC1	ZINC000577062386	448203171	/nfs/dbraw/zinc/20/31/71/448203171.db2.gz	IFWVLMZZCWKVHI-UHFFFAOYSA-N	1	3	330.461	1.518	20	30		EDEDHO
C=CCC[C@@H](CO)NC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1	ZINC000578024858	448444278	/nfs/dbraw/zinc/44/42/78/448444278.db2.gz	HKJBWWZTLRDIQI-KRWDZBQOSA-N	1	3	337.508	1.626	20	30		EDEDHO
C=CCN1CCC(NC(=O)N2CCc3ccccc3[C@H]2C[NH3+])CC1	ZINC000584408872	448515755	/nfs/dbraw/zinc/51/57/55/448515755.db2.gz	HYGZDUTXWIIWJW-GOSISDBHSA-N	1	3	328.460	1.905	20	30		EDEDHO
CN1CC[C@]2(C1)CCC[N@H+](C[C@H](O)COc1ccc(CC#N)cc1)C2	ZINC000595508162	450195660	/nfs/dbraw/zinc/19/56/60/450195660.db2.gz	UQGDVEWRFFUQGM-ICSRJNTNSA-N	1	3	343.471	1.910	20	30		EDEDHO
CN1CC[C@]2(C1)CCC[N@@H+](C[C@H](O)COc1ccc(CC#N)cc1)C2	ZINC000595508162	450195663	/nfs/dbraw/zinc/19/56/63/450195663.db2.gz	UQGDVEWRFFUQGM-ICSRJNTNSA-N	1	3	343.471	1.910	20	30		EDEDHO
C=CC[C@]1(C(=O)N2CCC(CC)(N3CCOCC3)CC2)CCC[NH2+]1	ZINC000638730277	451668706	/nfs/dbraw/zinc/66/87/06/451668706.db2.gz	XTNLGZXVWIZMPX-LJQANCHMSA-N	1	3	335.492	1.788	20	30		EDEDHO
C#C[C@H](NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)[C@H]1CCCO1	ZINC000773272903	580332342	/nfs/dbraw/zinc/33/23/42/580332342.db2.gz	KJRUCBKCRWHKJY-ZWKOTPCHSA-N	1	3	348.491	1.025	20	30		EDEDHO
CC(C)(C[NH3+])C1CCN(C[C@@H](O)COc2ccccc2C#N)CC1	ZINC000903790905	592316114	/nfs/dbraw/zinc/31/61/14/592316114.db2.gz	GLHXIFFDEFFWNV-QGZVFWFLSA-N	1	3	331.460	1.995	20	30		EDEDHO
C=C(CC[NH+](C)C)C(=O)N1CCC(C)(CN2CCN(C)CC2)CC1	ZINC000907356058	592609118	/nfs/dbraw/zinc/60/91/18/592609118.db2.gz	UWWNYYVYAOHOIB-UHFFFAOYSA-N	1	3	336.524	1.370	20	30		EDEDHO
CN(Cc1cc(C#N)cc(C[N@H+](C)[C@@H]2CCOC2)c1)[C@@H]1CCOC1	ZINC000878084259	597576954	/nfs/dbraw/zinc/57/69/54/597576954.db2.gz	QBVQYPJMSXANTN-RTBURBONSA-N	1	3	329.444	2.000	20	30		EDEDHO
CN(Cc1cc(C#N)cc(C[N@@H+](C)[C@@H]2CCOC2)c1)[C@@H]1CCOC1	ZINC000878084259	597576955	/nfs/dbraw/zinc/57/69/55/597576955.db2.gz	QBVQYPJMSXANTN-RTBURBONSA-N	1	3	329.444	2.000	20	30		EDEDHO
C[C@@H]1CN(CCCCNC(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)C[C@@H](C)O1	ZINC000884196087	598023942	/nfs/dbraw/zinc/02/39/42/598023942.db2.gz	HMOMKNBOHVERNW-RWUQJRKBSA-N	1	3	348.491	1.131	20	30		EDEDHO
N#C[C@@H]1C[NH2+]CC12CC(C(=O)Nc1ccc([C@@H]3CNCCO3)cc1)C2	ZINC000884408554	598096484	/nfs/dbraw/zinc/09/64/84/598096484.db2.gz	LHTSSWIDGGFACT-VOLNDZDFSA-N	1	3	340.427	1.425	20	30		EDEDHO
C=C(C)CCN1CC(N2CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)CC2)C1	ZINC000941566708	701585397	/nfs/dbraw/zinc/58/53/97/701585397.db2.gz	KMGVYOOQVZEAQU-QGZVFWFLSA-N	1	3	334.508	1.123	20	30		EDEDHO
C=C(C)CCN1CC(N2CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)CC2)C1	ZINC000941566708	701585398	/nfs/dbraw/zinc/58/53/98/701585398.db2.gz	KMGVYOOQVZEAQU-QGZVFWFLSA-N	1	3	334.508	1.123	20	30		EDEDHO
C=C(C)C[NH2+][C@H]1CN(C(=O)[C@H]2CN3CC4CC3(C4)CO2)CC1(C)C	ZINC000996069685	702480618	/nfs/dbraw/zinc/48/06/18/702480618.db2.gz	KUCXKSZQRLDUKM-BHEGOAEISA-N	1	3	333.476	1.252	20	30		EDEDHO
CC#CCN1CCC([C@@H](C)NC(=O)c2ccn(CC[NH+](C)C)n2)CC1	ZINC000997093960	703341522	/nfs/dbraw/zinc/34/15/22/703341522.db2.gz	MUNGPMMZDVRULC-MRXNPFEDSA-N	1	3	345.491	1.298	20	30		EDEDHO
N#Cc1ccccc1C[NH2+]CC1CCN(C(=O)CN2CCCC2)CC1	ZINC000998270628	705649139	/nfs/dbraw/zinc/64/91/39/705649139.db2.gz	WLQZMDOHINSNJC-UHFFFAOYSA-N	1	3	340.471	1.982	20	30		EDEDHO
C=CCN[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)CC[C@@H]1C(F)(F)F	ZINC000998284459	705679404	/nfs/dbraw/zinc/67/94/04/705679404.db2.gz	HAQWCMIWNHKZNS-UONOGXRCSA-N	1	3	333.398	1.883	20	30		EDEDHO
CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NCC1CC[NH2+]CC1	ZINC000565529130	306386021	/nfs/dbraw/zinc/38/60/21/306386021.db2.gz	INUIKDXCQKQCBB-UHFFFAOYSA-N	1	3	343.475	1.631	20	30		EDEDHO
CCN1CCN(CCCC[NH2+]Cc2cnc3ccc(C#N)cn23)CC1	ZINC000123286635	222249748	/nfs/dbraw/zinc/24/97/48/222249748.db2.gz	CPFMZNOKNRMQOK-UHFFFAOYSA-N	1	3	340.475	1.713	20	30		EDEDHO
N#Cc1ccc(CN2CCC([NH2+]C[C@H]3CNCCCO3)CC2)cc1	ZINC000519819369	270015479	/nfs/dbraw/zinc/01/54/79/270015479.db2.gz	KQPVORDDYVODRY-LJQANCHMSA-N	1	3	328.460	1.491	20	30		EDEDHO
CCN1CCC[C@H]1CNC(=[NH2+])NCc1ccc(Cn2cncn2)cc1	ZINC000170909283	442286765	/nfs/dbraw/zinc/28/67/65/442286765.db2.gz	MDHCNBZOWZXKFQ-KRWDZBQOSA-N	1	3	341.463	1.215	20	30		EDEDHO
C=CCNc1ncc(C(=O)N(CCN(C)C)CC[NH+](C)C)s1	ZINC000129275371	442309680	/nfs/dbraw/zinc/30/96/80/442309680.db2.gz	ZUGBXJNLROFSGI-UHFFFAOYSA-N	1	3	325.482	1.306	20	30		EDEDHO
C[NH+]=C(NCCn1cnc2ccccc21)N[C@H]1CN(C(C)C)C[C@H]1C	ZINC000261942101	443174727	/nfs/dbraw/zinc/17/47/27/443174727.db2.gz	DSNPGYRXYZOZLR-WBVHZDCISA-N	1	3	342.491	1.930	20	30		EDEDHO
C[NH+]=C(NCc1nccn1C(F)F)N1CC[C@@H](N2CCCCC2)C1	ZINC000262432815	443194445	/nfs/dbraw/zinc/19/44/45/443194445.db2.gz	FNTHQFAOXWCVET-CYBMUJFWSA-N	1	3	340.422	1.914	20	30		EDEDHO
Cc1cccc(N2CCN(CCCCNC3=[NH+]CCN3C)CC2)c1	ZINC000284945458	443794472	/nfs/dbraw/zinc/79/44/72/443794472.db2.gz	DNYRZTKLFXKHPO-UHFFFAOYSA-N	1	3	329.492	1.788	20	30		EDEDHO
C=CCc1cc(CN2CCC[C@@H](C(=O)NCC[NH3+])C2)cc(OC)c1O	ZINC000347170197	445233364	/nfs/dbraw/zinc/23/33/64/445233364.db2.gz	NFSBHKZSCCQXAR-MRXNPFEDSA-N	1	3	347.459	1.416	20	30		EDEDHO
C=CCN(CC=C)[C@H](CNC(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1)C(C)C	ZINC000417056897	447731864	/nfs/dbraw/zinc/73/18/64/447731864.db2.gz	AHMTYUTUNTYLAC-RCCFBDPRSA-N	1	3	334.508	1.936	20	30		EDEDHO
C=CCN(CC=C)[C@@H](CNC(=O)N1CCCO[C@H](C[NH3+])C1)C(C)C	ZINC000417072862	447733641	/nfs/dbraw/zinc/73/36/41/447733641.db2.gz	XNTMORFCBOTQLR-SJORKVTESA-N	1	3	338.496	1.444	20	30		EDEDHO
CC(C#N)C(=O)N1CCN(c2ccccc2OCC[NH+](C)C)CC1	ZINC000523418797	447885140	/nfs/dbraw/zinc/88/51/40/447885140.db2.gz	FMNVVKRCKURXIL-HNNXBMFYSA-N	1	3	330.432	1.435	20	30		EDEDHO
C=CC[C@]1(C(=O)N2CC[C@H](N3CCN(C(C)C)CC3)C2)CCC[NH2+]1	ZINC000595946227	449273477	/nfs/dbraw/zinc/27/34/77/449273477.db2.gz	BPKPDHIVTKNMDM-PKOBYXMFSA-N	1	3	334.508	1.312	20	30		EDEDHO
CC(C#N)S(=O)(=O)c1ccc(NC(=O)N[C@@]2(C)CC[NH2+]C2)cc1	ZINC000596124710	449375268	/nfs/dbraw/zinc/37/52/68/449375268.db2.gz	YWVUQILSJZIVEE-ABAIWWIYSA-N	1	3	336.417	1.246	20	30		EDEDHO
N#Cc1ccc(C2([NH2+]C[C@H]3CCC4(CNC4)O3)CCOCC2)cc1	ZINC000600740548	449526950	/nfs/dbraw/zinc/52/69/50/449526950.db2.gz	IZTGFAKGZFDWMK-QGZVFWFLSA-N	1	3	327.428	1.675	20	30		EDEDHO
CN(C)Cc1cccc(C[NH2+]C[C@H](O)CC2(C#N)CCOCC2)c1	ZINC000600717723	449516129	/nfs/dbraw/zinc/51/61/29/449516129.db2.gz	MJHYAEDMYRCMIQ-GOSISDBHSA-N	1	3	331.460	1.909	20	30		EDEDHO
C[NH+](C)C[C@]1(O)CCCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C1	ZINC000597574013	450118051	/nfs/dbraw/zinc/11/80/51/450118051.db2.gz	LLMFBTZBVYMXAW-IEBWSBKVSA-N	1	3	340.427	1.156	20	30		EDEDHO
CN(C)CCN(CC[NH+](C)C)C(=O)N[C@@H]1CCc2cc(C#N)ccc21	ZINC000618847899	450321033	/nfs/dbraw/zinc/32/10/33/450321033.db2.gz	RQYKNTTXCGNKIW-GOSISDBHSA-N	1	3	343.475	1.680	20	30		EDEDHO
C[C@H](CO)[C@H]1CCCCN1CC#CC[N@@H+]1CCCC[C@H]1[C@H](C)CO	ZINC000661440850	453818416	/nfs/dbraw/zinc/81/84/16/453818416.db2.gz	FIYIQVKGRZSGMD-WTGUMLROSA-N	1	3	336.520	1.956	20	30		EDEDHO
C[C@H](CO)[C@H]1CCCCN1CC#CC[N@H+]1CCCC[C@H]1[C@H](C)CO	ZINC000661440850	453818418	/nfs/dbraw/zinc/81/84/18/453818418.db2.gz	FIYIQVKGRZSGMD-WTGUMLROSA-N	1	3	336.520	1.956	20	30		EDEDHO
C[C@H](CO)[C@H]1CCCC[N@H+]1CC#CCN1CCCC[C@H]1[C@H](C)CO	ZINC000661440850	453818420	/nfs/dbraw/zinc/81/84/20/453818420.db2.gz	FIYIQVKGRZSGMD-WTGUMLROSA-N	1	3	336.520	1.956	20	30		EDEDHO
C[C@H](CO)[C@H]1CCCC[N@@H+]1CC#CCN1CCCC[C@H]1[C@H](C)CO	ZINC000661440850	453818422	/nfs/dbraw/zinc/81/84/22/453818422.db2.gz	FIYIQVKGRZSGMD-WTGUMLROSA-N	1	3	336.520	1.956	20	30		EDEDHO
CN(C)CCN(CC[NH+](C)C)C(=O)NCc1ccc(OCC#N)cc1	ZINC000741083900	579396833	/nfs/dbraw/zinc/39/68/33/579396833.db2.gz	CGLOVVPMGPZEHA-UHFFFAOYSA-N	1	3	347.463	1.224	20	30		EDEDHO
CN(C)CCN(CC[NH+](C)C)C(=O)c1[nH]c2ccccc2c1C#N	ZINC000896682175	591572782	/nfs/dbraw/zinc/57/27/82/591572782.db2.gz	RMGJDFPUFAYYTD-UHFFFAOYSA-N	1	3	327.432	1.605	20	30		EDEDHO
C#CC[C@H](Cc1ccccc1)NC(=O)N(CCN(C)C)CC[NH+](C)C	ZINC000807466974	593174280	/nfs/dbraw/zinc/17/42/80/593174280.db2.gz	IVEWOJPGYUOXQM-LJQANCHMSA-N	1	3	344.503	1.756	20	30		EDEDHO
CN(Cc1cc(C#N)cc(C[N@H+](C)C2CC(O)C2)c1)C1CC(O)C1	ZINC000878430380	597601161	/nfs/dbraw/zinc/60/11/61/597601161.db2.gz	FBNLNVLGEOJWML-UHFFFAOYSA-N	1	3	329.444	1.468	20	30		EDEDHO
CN(Cc1cc(C#N)cc(C[N@@H+](C)C2CC(O)C2)c1)C1CC(O)C1	ZINC000878430380	597601162	/nfs/dbraw/zinc/60/11/62/597601162.db2.gz	FBNLNVLGEOJWML-UHFFFAOYSA-N	1	3	329.444	1.468	20	30		EDEDHO
C[N@H+](CCCNC(=O)C1CC2(C1)CNC[C@@H]2C#N)C1CCCCC1	ZINC000884189250	598020735	/nfs/dbraw/zinc/02/07/35/598020735.db2.gz	AHMPGEOTNNXJPJ-WUJZJPHMSA-N	1	3	332.492	1.897	20	30		EDEDHO
C[N@@H+](CCCNC(=O)C1CC2(C1)CNC[C@@H]2C#N)C1CCCCC1	ZINC000884189250	598020739	/nfs/dbraw/zinc/02/07/39/598020739.db2.gz	AHMPGEOTNNXJPJ-WUJZJPHMSA-N	1	3	332.492	1.897	20	30		EDEDHO
C[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1NCc1ccc(C#N)s1	ZINC000939545278	699687459	/nfs/dbraw/zinc/68/74/59/699687459.db2.gz	NNDDVYJHBLGVKF-BBRMVZONSA-N	1	3	344.484	1.652	20	30		EDEDHO
CC#CC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CN3CC4CC3(C4)CO2)CC1	ZINC000997691244	704563866	/nfs/dbraw/zinc/56/38/66/704563866.db2.gz	IZEGCZUQBDBXCR-BPOAAREJSA-N	1	3	345.487	1.090	20	30		EDEDHO
C=C(C)CN1CCC(NC(=O)NCCC[NH2+]Cc2cccnc2)CC1	ZINC000417536337	251184690	/nfs/dbraw/zinc/18/46/90/251184690.db2.gz	KGZXKXNDHCSBJY-UHFFFAOYSA-N	1	3	345.491	1.901	20	30		EDEDHO
CCN1CCC[C@@H]1CNC(=[NH2+])NCCOCc1ccc(OC)cc1	ZINC000092854071	441834490	/nfs/dbraw/zinc/83/44/90/441834490.db2.gz	NSMFRBXTVUCCIK-MRXNPFEDSA-N	1	3	334.464	1.600	20	30		EDEDHO
C=C(C)CN(CC)C(=O)[C@@H](C)N(C)CCN(C)C1CC[NH+](C)CC1	ZINC000180958196	442672213	/nfs/dbraw/zinc/67/22/13/442672213.db2.gz	AHWNFZKVGDALOV-QGZVFWFLSA-N	1	3	338.540	1.757	20	30		EDEDHO
CCO[C@@H]1C[C@H](NC(=[NH2+])NC[C@@H]2CCCN2CC)C12CCOCC2	ZINC000248629322	442909958	/nfs/dbraw/zinc/90/99/58/442909958.db2.gz	GGYXIJVCZGPNGK-HRCADAONSA-N	1	3	338.496	1.349	20	30		EDEDHO
C[NH+]=C(NCc1ccc(C(N)=O)o1)NC1C[C@H]2CCC[C@@H](C1)N2C	ZINC000262428611	443194277	/nfs/dbraw/zinc/19/42/77/443194277.db2.gz	SBDWKYJINVKPFM-YHWZYXNKSA-N	1	3	333.436	1.059	20	30		EDEDHO
C[NH+]=C(NC[C@](C)(O)c1ccco1)NC1C[C@H]2CCC[C@@H](C1)N2C	ZINC000262766207	443211481	/nfs/dbraw/zinc/21/14/81/443211481.db2.gz	HGNXQBSSZFXIBG-MUSFGAPCSA-N	1	3	334.464	1.667	20	30		EDEDHO
C[NH+]=C(NCCCCN1CCN(c2ccccc2)CC1)NC1CC1	ZINC000264036232	443246423	/nfs/dbraw/zinc/24/64/23/443246423.db2.gz	GVZJBUDCQSBEMF-UHFFFAOYSA-N	1	3	329.492	1.916	20	30		EDEDHO
CN1CCC[C@@H]1CNC(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1	ZINC000329303725	444527553	/nfs/dbraw/zinc/52/75/53/444527553.db2.gz	XONVBVNTGYFFDH-ZACQAIPSSA-N	1	3	338.496	1.352	20	30		EDEDHO
CC(C)[NH+]1CCC(O)(CNC(=O)N[C@@H]2CCN(C)[C@H](C)C2)CC1	ZINC000329915449	444766746	/nfs/dbraw/zinc/76/67/46/444766746.db2.gz	DAQKWFBAMBEMOR-HUUCEWRRSA-N	1	3	326.485	1.208	20	30		EDEDHO
CCC[NH+]1CCC(NC(=O)Nc2ccn(C3CCN(C)CC3)n2)CC1	ZINC000330211227	444890259	/nfs/dbraw/zinc/89/02/59/444890259.db2.gz	IYROTLFQYGJIFM-UHFFFAOYSA-N	1	3	348.495	2.350	20	30		EDEDHO
C[C@H]1CN(C[C@H](O)c2ccc(C#N)cc2)CC[N@@H+]1C1CCN(C)CC1	ZINC000373529029	446249500	/nfs/dbraw/zinc/24/95/00/446249500.db2.gz	KRPSMUCVNBKZTQ-JXFKEZNVSA-N	1	3	342.487	1.692	20	30		EDEDHO
C[C@H]1CN(C[C@H](O)c2ccc(C#N)cc2)CC[N@H+]1C1CCN(C)CC1	ZINC000373529029	446249502	/nfs/dbraw/zinc/24/95/02/446249502.db2.gz	KRPSMUCVNBKZTQ-JXFKEZNVSA-N	1	3	342.487	1.692	20	30		EDEDHO
CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CCC[NH2+]C1	ZINC000418392533	446526397	/nfs/dbraw/zinc/52/63/97/446526397.db2.gz	ZNGUEEHBHINJED-KRWDZBQOSA-N	1	3	329.448	1.383	20	30		EDEDHO
C=CCN(CC=C)[C@H](CNC(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1)C(C)C	ZINC000417056896	447732291	/nfs/dbraw/zinc/73/22/91/447732291.db2.gz	AHMTYUTUNTYLAC-OKZBNKHCSA-N	1	3	334.508	1.936	20	30		EDEDHO
C=C(C)C[NH+]1CCC(NC(=O)NC[C@H]2CCCCN2CCO)CC1	ZINC000458321100	447768401	/nfs/dbraw/zinc/76/84/01/447768401.db2.gz	NCCSQHHPNVFCSV-QGZVFWFLSA-N	1	3	338.496	1.173	20	30		EDEDHO
N#CCCCC[C@@H](N)C(=O)NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1	ZINC000595961830	449284870	/nfs/dbraw/zinc/28/48/70/449284870.db2.gz	URJZCUVKXTWKNZ-ZWKOTPCHSA-N	1	3	344.459	1.281	20	30		EDEDHO
N#CCCCC[C@@H](N)C(=O)NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1	ZINC000595961830	449284876	/nfs/dbraw/zinc/28/48/76/449284876.db2.gz	URJZCUVKXTWKNZ-ZWKOTPCHSA-N	1	3	344.459	1.281	20	30		EDEDHO
CCN1CCC[C@H]1CNC(=[NH2+])NCCN1CCc2ccccc2C1	ZINC000104167240	529100410	/nfs/dbraw/zinc/10/04/10/529100410.db2.gz	HYMHTNKOZQEZNY-SFHVURJKSA-N	1	3	329.492	1.433	20	30		EDEDHO
C#CCOc1ccccc1CNC(=O)N(CCN(C)C)CC[NH+](C)C	ZINC000741088751	579397119	/nfs/dbraw/zinc/39/71/19/579397119.db2.gz	BJYDTQDXKOQFBG-UHFFFAOYSA-N	1	3	346.475	1.333	20	30		EDEDHO
CCOCCC[N@@H+]1CCC(=NNC2=N[C@H]3CCCC[C@H]3N2)[C@H](C)C1	ZINC000753933135	579891499	/nfs/dbraw/zinc/89/14/99/579891499.db2.gz	BMBCYKXHAVSQSC-OIISXLGYSA-N	1	3	335.496	1.971	20	30		EDEDHO
CCOCCC[N@H+]1CCC(=NNC2=N[C@H]3CCCC[C@H]3N2)[C@H](C)C1	ZINC000753933135	579891500	/nfs/dbraw/zinc/89/15/00/579891500.db2.gz	BMBCYKXHAVSQSC-OIISXLGYSA-N	1	3	335.496	1.971	20	30		EDEDHO
C=C(CC[NH+](C)C)C(=O)Nc1ccc2oc(=O)n(CCN(C)C)c2c1	ZINC000900431126	592016366	/nfs/dbraw/zinc/01/63/66/592016366.db2.gz	HZFBJWQHCHJNIO-UHFFFAOYSA-N	1	3	346.431	1.603	20	30		EDEDHO
C[NH+]=C(NCCN1CCOCC1)NCC1(N(C)C)CCCCCC1	ZINC000849053532	595475851	/nfs/dbraw/zinc/47/58/51/595475851.db2.gz	RTEGQYQBWDDTBX-UHFFFAOYSA-N	1	3	339.528	1.138	20	30		EDEDHO
CCN1CCN([C@@H](C)C[NH2+]Cc2cc(C#N)ccc2N(C)C)CC1	ZINC000865414134	596567041	/nfs/dbraw/zinc/56/70/41/596567041.db2.gz	KGIOEZJIVDMWDM-INIZCTEOSA-N	1	3	329.492	1.740	20	30		EDEDHO
C#CCN(C)CCCNC(=O)N(CC(C)C)CC1CC[NH+](C)CC1	ZINC000875621772	596922298	/nfs/dbraw/zinc/92/22/98/596922298.db2.gz	ACCXYHJQFTUZPF-UHFFFAOYSA-N	1	3	336.524	1.951	20	30		EDEDHO
C=C(Cl)C[C@H](N)C(=O)N[C@H]1CC[N@@H+](CCCOCC)C[C@H]1C	ZINC000876765500	597329649	/nfs/dbraw/zinc/32/96/49/597329649.db2.gz	SGXUMNSGOULAAZ-SNPRPXQTSA-N	1	3	331.888	1.710	20	30		EDEDHO
C=C(Cl)C[C@H](N)C(=O)N[C@H]1CC[N@H+](CCCOCC)C[C@H]1C	ZINC000876765500	597329652	/nfs/dbraw/zinc/32/96/52/597329652.db2.gz	SGXUMNSGOULAAZ-SNPRPXQTSA-N	1	3	331.888	1.710	20	30		EDEDHO
C=C(Cl)C[C@@H](N)C(=O)Nc1ccc(C(=O)NCC[NH+](C)C)cc1	ZINC000877009714	597410413	/nfs/dbraw/zinc/41/04/13/597410413.db2.gz	XNBIJWGXYMVNPY-CQSZACIVSA-N	1	3	338.839	1.386	20	30		EDEDHO
N#C[C@H]1C[NH2+]CC12CC(C(=O)Nc1ccc([C@H]3CNCCO3)cc1)C2	ZINC000884408551	598096381	/nfs/dbraw/zinc/09/63/81/598096381.db2.gz	LHTSSWIDGGFACT-HLCARVAJSA-N	1	3	340.427	1.425	20	30		EDEDHO
C=C(C)CCN1CC(N2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)CC2)C1	ZINC000941533458	701573277	/nfs/dbraw/zinc/57/32/77/701573277.db2.gz	COKSBUJLVLLKCD-ROUUACIJSA-N	1	3	348.535	1.511	20	30		EDEDHO
C=C(C)CCN1CC(N2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)CC2)C1	ZINC000941533458	701573278	/nfs/dbraw/zinc/57/32/78/701573278.db2.gz	COKSBUJLVLLKCD-ROUUACIJSA-N	1	3	348.535	1.511	20	30		EDEDHO
C[N@@H+]1CC[C@H](C(=O)N2CCC(NCc3ccccc3C#N)CC2)C1	ZINC000997296913	703555760	/nfs/dbraw/zinc/55/57/60/703555760.db2.gz	CGAIAWBAOAQEQD-KRWDZBQOSA-N	1	3	326.444	1.591	20	30		EDEDHO
C[N@H+]1CC[C@H](C(=O)N2CCC(NCc3ccccc3C#N)CC2)C1	ZINC000997296913	703555761	/nfs/dbraw/zinc/55/57/61/703555761.db2.gz	CGAIAWBAOAQEQD-KRWDZBQOSA-N	1	3	326.444	1.591	20	30		EDEDHO
C#CCN1CCC(C(=O)N[C@H](C)C2CC[NH+](CCOC)CC2)CC1	ZINC000997434928	703664974	/nfs/dbraw/zinc/66/49/74/703664974.db2.gz	QYHOLBNBFCBKEK-MRXNPFEDSA-N	1	3	335.492	1.195	20	30		EDEDHO
CN1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2ccc(F)c(C#N)c2)C1	ZINC000998721650	706153266	/nfs/dbraw/zinc/15/32/66/706153266.db2.gz	NFPLDCVWZRSYTI-AEFFLSMTSA-N	1	3	344.434	1.872	20	30		EDEDHO
CN(C)[C@@H](C(=O)N1CCC[C@@H]([NH2+]Cc2ccc(C#N)cc2)C1)C1CC1	ZINC000999369067	706882991	/nfs/dbraw/zinc/88/29/91/706882991.db2.gz	IPNGRCXXCGGBQT-RTBURBONSA-N	1	3	340.471	1.979	20	30		EDEDHO
C#CCN1CCC(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3C[C@H]2CCCOC2)CC1	ZINC001032801583	708083046	/nfs/dbraw/zinc/08/30/46/708083046.db2.gz	FKKNICSHMWPDHZ-NEWSRXKRSA-N	1	3	345.487	1.043	20	30		EDEDHO
C#CCN1CCC(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3C[C@H]2CCCOC2)CC1	ZINC001032801583	708083047	/nfs/dbraw/zinc/08/30/47/708083047.db2.gz	FKKNICSHMWPDHZ-NEWSRXKRSA-N	1	3	345.487	1.043	20	30		EDEDHO
C#CCN(C(=O)NCC[C@@H](C)[NH+]1CCCCC1)C1CCN(C)CC1	ZINC000921938629	709087642	/nfs/dbraw/zinc/08/76/42/709087642.db2.gz	NJTWSDGRNFHNQD-QGZVFWFLSA-N	1	3	334.508	1.990	20	30		EDEDHO
C=C(C)C[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1	ZINC001034319533	709769001	/nfs/dbraw/zinc/76/90/01/709769001.db2.gz	IKHLOMXNQIQJAQ-VIHIWDAPSA-N	1	3	333.476	1.396	20	30		EDEDHO
C=C(C)C[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1	ZINC001034319533	709769003	/nfs/dbraw/zinc/76/90/03/709769003.db2.gz	IKHLOMXNQIQJAQ-VIHIWDAPSA-N	1	3	333.476	1.396	20	30		EDEDHO
C=CCN1CCC(NC(=O)NCCC[NH2+]Cc2cccnc2)CC1	ZINC000417520759	251182740	/nfs/dbraw/zinc/18/27/40/251182740.db2.gz	CRWNYBJBZWFYSO-UHFFFAOYSA-N	1	3	331.464	1.511	20	30		EDEDHO
CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NCC1([NH3+])CCC1	ZINC000418532709	251378065	/nfs/dbraw/zinc/37/80/65/251378065.db2.gz	ZUEFUGKSDSQNLV-UHFFFAOYSA-N	1	3	329.448	1.513	20	30		EDEDHO
N#CCCC[C@H](N)C(=O)N[C@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1	ZINC000424149198	252145801	/nfs/dbraw/zinc/14/58/01/252145801.db2.gz	BMZRJDXJMJEQNB-KCXAZCMYSA-N	1	3	336.386	1.548	20	30		EDEDHO
C[NH+](C)CCC1CCN(C[C@@H](O)COc2ccccc2C#N)CC1	ZINC000528351938	305870368	/nfs/dbraw/zinc/87/03/68/305870368.db2.gz	JVVSBUZMPJUUJX-GOSISDBHSA-N	1	3	331.460	1.962	20	30		EDEDHO
CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Cc1ccc(C#N)cc1	ZINC000194873581	442963926	/nfs/dbraw/zinc/96/39/26/442963926.db2.gz	DYXBTGCUXUQACD-LJQANCHMSA-N	1	3	342.487	1.975	20	30		EDEDHO
CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Cc1ccc(C#N)cc1	ZINC000194873581	442963930	/nfs/dbraw/zinc/96/39/30/442963930.db2.gz	DYXBTGCUXUQACD-LJQANCHMSA-N	1	3	342.487	1.975	20	30		EDEDHO
CCN1CCC[C@H]1CNC(=[NH2+])NC[C@@]1(C)OCCc2sccc21	ZINC000262349568	443191326	/nfs/dbraw/zinc/19/13/26/443191326.db2.gz	YPGZDHHWOQSSLM-SUMWQHHRSA-N	1	3	336.505	1.925	20	30		EDEDHO
CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](c1cccc(F)c1)N(C)C	ZINC000264137731	443252996	/nfs/dbraw/zinc/25/29/96/443252996.db2.gz	VTCWJVMKIZQWRM-SJORKVTESA-N	1	3	335.471	1.817	20	30		EDEDHO
CCN1CCC[C@@H]1CNC(=[NH2+])NCc1ncnn1-c1ccccc1	ZINC000278639506	443387315	/nfs/dbraw/zinc/38/73/15/443387315.db2.gz	ZAOZWAWJJQYZFW-OAHLLOKOSA-N	1	3	327.436	1.156	20	30		EDEDHO
CCOC(=O)N1CCC(NC(=[NH2+])NCCN2CCCCCC2)CC1	ZINC000303878084	444237849	/nfs/dbraw/zinc/23/78/49/444237849.db2.gz	FSMZTXXWMWJQET-UHFFFAOYSA-N	1	3	339.484	1.388	20	30		EDEDHO
C#CC[N@@H+](C)CCCNC(=O)N[C@@H](CN(C)C)c1ccc(F)cc1	ZINC000297226893	444278152	/nfs/dbraw/zinc/27/81/52/444278152.db2.gz	FNPDSXVUJZXAKE-KRWDZBQOSA-N	1	3	334.439	1.683	20	30		EDEDHO
C#CC[N@H+](C)CCCNC(=O)N[C@@H](CN(C)C)c1ccc(F)cc1	ZINC000297226893	444278154	/nfs/dbraw/zinc/27/81/54/444278154.db2.gz	FNPDSXVUJZXAKE-KRWDZBQOSA-N	1	3	334.439	1.683	20	30		EDEDHO
C#CC[N@@H+](C)CCCN[C@H](C)c1ccc(S(=O)(=O)N(C)C)cc1	ZINC000328228880	444385818	/nfs/dbraw/zinc/38/58/18/444385818.db2.gz	CFFBARNYQIBWSD-OAHLLOKOSA-N	1	3	337.489	1.543	20	30		EDEDHO
C#CC[N@H+](C)CCCN[C@H](C)c1ccc(S(=O)(=O)N(C)C)cc1	ZINC000328228880	444385819	/nfs/dbraw/zinc/38/58/19/444385819.db2.gz	CFFBARNYQIBWSD-OAHLLOKOSA-N	1	3	337.489	1.543	20	30		EDEDHO
C=CCN(CC=C)C(=O)[C@@H](C)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1	ZINC000367619827	446567884	/nfs/dbraw/zinc/56/78/84/446567884.db2.gz	WQBOUBHUQOCMHS-MJGOQNOKSA-N	1	3	348.535	1.676	20	30		EDEDHO
C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1	ZINC000418573846	446601176	/nfs/dbraw/zinc/60/11/76/446601176.db2.gz	LRFKQHJXIQDCIR-QAPCUYQASA-N	1	3	343.475	1.629	20	30		EDEDHO
C[C@@H](CNC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)[NH+](C)C	ZINC000459043184	447550308	/nfs/dbraw/zinc/55/03/08/447550308.db2.gz	QGAYJZXDHSKUIR-HNNXBMFYSA-N	1	3	331.464	1.582	20	30		EDEDHO
C[C@@H]([NH2+]C[C@@H](O)COc1ccc(CC#N)cc1)C1=CCN(C)CC1	ZINC000570274287	447973693	/nfs/dbraw/zinc/97/36/93/447973693.db2.gz	IXPWIEONFPLHRP-CRAIPNDOSA-N	1	3	329.444	1.732	20	30		EDEDHO
CN1CCN(Cc2ccc(C[NH2+]C[C@H](O)CC3(C#N)CC3)cc2)CC1	ZINC000600717349	449514207	/nfs/dbraw/zinc/51/42/07/449514207.db2.gz	KJXITHGEMMMSRS-LJQANCHMSA-N	1	3	342.487	1.578	20	30		EDEDHO
CCN1CCC[C@@H]1CNC(=[NH2+])NCCN1CCc2ccccc2C1	ZINC000104167235	529071491	/nfs/dbraw/zinc/07/14/91/529071491.db2.gz	HYMHTNKOZQEZNY-GOSISDBHSA-N	1	3	329.492	1.433	20	30		EDEDHO
CCN1CCN(CCCC[NH2+]C[C@H](O)c2ccc(C#N)cc2)CC1	ZINC000819063203	593736842	/nfs/dbraw/zinc/73/68/42/593736842.db2.gz	XLABOLOZCOFCHQ-IBGZPJMESA-N	1	3	330.476	1.599	20	30		EDEDHO
CN(CCc1ccccc1)[C@H]1CCN(C(=O)C#CC2CC[NH2+]CC2)C1	ZINC000852907085	595609286	/nfs/dbraw/zinc/60/92/86/595609286.db2.gz	CRGOTIMDSRTZFZ-FQEVSTJZSA-N	1	3	339.483	1.765	20	30		EDEDHO
C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)C2CC3(C2)CNC[C@@H]3C#N)C1	ZINC000884190009	598020557	/nfs/dbraw/zinc/02/05/57/598020557.db2.gz	SFYKZWLMNXXLAY-RWUQJRKBSA-N	1	3	332.492	1.610	20	30		EDEDHO
N#C[C@H]1CNCC12CC(C(=O)N(CCC[NH3+])Cc1ccccc1)C2	ZINC000884275450	598051275	/nfs/dbraw/zinc/05/12/75/598051275.db2.gz	MMICRNOEMGQXAY-HFCFLWKCSA-N	1	3	326.444	1.503	20	30		EDEDHO
C#CCN(C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)C1CCN(C)CC1	ZINC000920659411	697463088	/nfs/dbraw/zinc/46/30/88/697463088.db2.gz	LYHKKOZBIMRQNG-ZNXRZULTSA-N	1	3	332.492	1.741	20	30		EDEDHO
C#CCN(C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)C1CCN(C)CC1	ZINC000920659411	697463090	/nfs/dbraw/zinc/46/30/90/697463090.db2.gz	LYHKKOZBIMRQNG-ZNXRZULTSA-N	1	3	332.492	1.741	20	30		EDEDHO
C#CCN1CCC(C(=O)NC2CC[NH+](C[C@H]3CC[C@H](C)O3)CC2)CC1	ZINC001004201919	703931967	/nfs/dbraw/zinc/93/19/67/703931967.db2.gz	SPTCSNGPYHEPBN-QFBILLFUSA-N	1	3	347.503	1.480	20	30		EDEDHO
C#CCN1CCC(C(=O)N(C)[C@@H]2CC[N@H+](C[C@H]3CCCCO3)C2)CC1	ZINC001033684364	708497285	/nfs/dbraw/zinc/49/72/85/708497285.db2.gz	NOXRDKGVOZPVDZ-RTBURBONSA-N	1	3	347.503	1.433	20	30		EDEDHO
C#CCN1CCC(C(=O)N(C)[C@@H]2CC[N@@H+](C[C@H]3CCCCO3)C2)CC1	ZINC001033684364	708497286	/nfs/dbraw/zinc/49/72/86/708497286.db2.gz	NOXRDKGVOZPVDZ-RTBURBONSA-N	1	3	347.503	1.433	20	30		EDEDHO
C#CCN1CCC(C(=O)NCC2CC[NH+](C[C@H](C)OC)CC2)CC1	ZINC001002144422	708657902	/nfs/dbraw/zinc/65/79/02/708657902.db2.gz	FPLQPSHSLMGDPU-INIZCTEOSA-N	1	3	335.492	1.195	20	30		EDEDHO
C#CCN1CCC(C(=O)N(CC)[C@H]2CC[N@@H+]([C@@H](C)COC)C2)CC1	ZINC001034045272	709297957	/nfs/dbraw/zinc/29/79/57/709297957.db2.gz	JETTUDJWMNEFLT-WMZOPIPTSA-N	1	3	335.492	1.289	20	30		EDEDHO
C#CCN1CCC(C(=O)N(CC)[C@H]2CC[N@H+]([C@@H](C)COC)C2)CC1	ZINC001034045272	709297960	/nfs/dbraw/zinc/29/79/60/709297960.db2.gz	JETTUDJWMNEFLT-WMZOPIPTSA-N	1	3	335.492	1.289	20	30		EDEDHO
COc1ccc(N2CCN(CCC[NH+]=C(N(C)C)N(C)C)CC2)cc1	ZINC000104157446	237057031	/nfs/dbraw/zinc/05/70/31/237057031.db2.gz	SWJZGSZMOHFQEZ-UHFFFAOYSA-N	1	3	347.507	1.687	20	30		EDEDHO
CN1CC[NH+](C[C@H]2CCCN(CCOc3ccccc3C#N)C2)CC1	ZINC000367172762	154028658	/nfs/dbraw/zinc/02/86/58/154028658.db2.gz	ZMVWCCKMMOVWDJ-SFHVURJKSA-N	1	3	342.487	1.896	20	30		EDEDHO
CN1CCN(C[C@H]2CCC[N@H+](CCOc3ccccc3C#N)C2)CC1	ZINC000367172762	154028660	/nfs/dbraw/zinc/02/86/60/154028660.db2.gz	ZMVWCCKMMOVWDJ-SFHVURJKSA-N	1	3	342.487	1.896	20	30		EDEDHO
CN1CCN(C[C@H]2CCC[N@@H+](CCOc3ccccc3C#N)C2)CC1	ZINC000367172762	154028662	/nfs/dbraw/zinc/02/86/62/154028662.db2.gz	ZMVWCCKMMOVWDJ-SFHVURJKSA-N	1	3	342.487	1.896	20	30		EDEDHO
C#CCN1CCC(C(=O)NC2CC[NH+](C3CCN(C)CC3)CC2)CC1	ZINC000050796868	441389403	/nfs/dbraw/zinc/38/94/03/441389403.db2.gz	MQSVHTOPYCEZIH-UHFFFAOYSA-N	1	3	346.519	1.006	20	30		EDEDHO
COc1ccc(CCNC(=[NH2+])NCC2=CCN(C)CC2)cc1OC	ZINC000271863608	443515836	/nfs/dbraw/zinc/51/58/36/443515836.db2.gz	ZSGIDDFTQZJOPK-UHFFFAOYSA-N	1	3	332.448	1.413	20	30		EDEDHO
CCN1CCC[C@@H]1CNC(=[NH2+])NCc1cc(C)nc(N2CCCC2)c1	ZINC000290746247	444318456	/nfs/dbraw/zinc/31/84/56/444318456.db2.gz	XRZPWQJNHNVSET-QGZVFWFLSA-N	1	3	344.507	1.879	20	30		EDEDHO
Cc1nnccc1NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1	ZINC000328603800	444391020	/nfs/dbraw/zinc/39/10/20/444391020.db2.gz	IBRSHZFAKOQIAD-UHFFFAOYSA-N	1	3	332.452	1.670	20	30		EDEDHO
CCN1CCC(NC(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)CC1	ZINC000330177230	444874655	/nfs/dbraw/zinc/87/46/55/444874655.db2.gz	KNSWQUMXAYKBOE-IAGOWNOFSA-N	1	3	338.496	1.352	20	30		EDEDHO
C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)N[C@@H]1CCC[C@H](C#N)C1	ZINC000361431112	445766798	/nfs/dbraw/zinc/76/67/98/445766798.db2.gz	BXCDZSQLEVQVCF-OTWHNJEPSA-N	1	3	342.487	1.947	20	30		EDEDHO
C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)N[C@H]1CCC[C@@H](C#N)C1	ZINC000361431114	445766867	/nfs/dbraw/zinc/76/68/67/445766867.db2.gz	BXCDZSQLEVQVCF-QYZOEREBSA-N	1	3	342.487	1.947	20	30		EDEDHO
C[C@H]1CC[NH2+]C[C@@H]1NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1	ZINC000418573847	446600553	/nfs/dbraw/zinc/60/05/53/446600553.db2.gz	LRFKQHJXIQDCIR-YJBOKZPZSA-N	1	3	343.475	1.629	20	30		EDEDHO
C=CCN(CC=C)C(=O)CN1CCC[N@@H+](C2CCN(CC)CC2)CC1	ZINC000421009848	446984165	/nfs/dbraw/zinc/98/41/65/446984165.db2.gz	NWSCGENRUADWAR-UHFFFAOYSA-N	1	3	348.535	1.679	20	30		EDEDHO
C=CCN(CC=C)C(=O)CN1CCC[N@H+](C2CCN(CC)CC2)CC1	ZINC000421009848	446984170	/nfs/dbraw/zinc/98/41/70/446984170.db2.gz	NWSCGENRUADWAR-UHFFFAOYSA-N	1	3	348.535	1.679	20	30		EDEDHO
CC(C#N)S(=O)(=O)c1ccc(NC(=O)N[C@]2(C)CC[NH2+]C2)cc1	ZINC000596124711	449375171	/nfs/dbraw/zinc/37/51/71/449375171.db2.gz	YWVUQILSJZIVEE-IAQYHMDHSA-N	1	3	336.417	1.246	20	30		EDEDHO
C=CC[C@@]1(C(=O)N2CCC(CC)(N3CCOCC3)CC2)CCC[NH2+]1	ZINC000638730276	451669025	/nfs/dbraw/zinc/66/90/25/451669025.db2.gz	XTNLGZXVWIZMPX-IBGZPJMESA-N	1	3	335.492	1.788	20	30		EDEDHO
N#CC1(CCCCN2CC[C@H](N3C(=O)O[C@@H]4C[NH2+]C[C@@H]43)C2)CCC1	ZINC000903778576	592318957	/nfs/dbraw/zinc/31/89/57/592318957.db2.gz	OHCIZTYEHDROJY-HRCADAONSA-N	1	3	332.448	1.717	20	30		EDEDHO
C[C@H](c1ccccc1)N1CC[C@H](NC(=O)C#CC2CC[NH2+]CC2)C1	ZINC000852862647	595583314	/nfs/dbraw/zinc/58/33/14/595583314.db2.gz	ICTHLHHCZCALFB-APWZRJJASA-N	1	3	325.456	1.941	20	30		EDEDHO
N#C[C@@H]1CNCC12CC(C(=O)N1CCC[C@@H]([C@@H]3CCC[NH2+]C3)C1)C2	ZINC000884294485	598058162	/nfs/dbraw/zinc/05/81/62/598058162.db2.gz	CFGIXZRVQGBUJE-FOVNGAOHSA-N	1	3	330.476	1.364	20	30		EDEDHO
C#CCN1CCC(C(=O)NC2CC[NH+](C[C@H]3CCCOC3)CC2)CC1	ZINC001004208528	703969099	/nfs/dbraw/zinc/96/90/99/703969099.db2.gz	QRZJYJQRCSCPLB-QGZVFWFLSA-N	1	3	347.503	1.339	20	30		EDEDHO
C=C(Br)CNC1CC(N(C)C(=O)[C@H]2CC[N@H+](C)C2)C1	ZINC000999832182	707462469	/nfs/dbraw/zinc/46/24/69/707462469.db2.gz	PXEWQJRWVFMFQC-HIFPTAJRSA-N	1	3	330.270	1.426	20	30		EDEDHO
C=C(Br)CNC1CC(N(C)C(=O)[C@H]2CC[N@@H+](C)C2)C1	ZINC000999832182	707462473	/nfs/dbraw/zinc/46/24/73/707462473.db2.gz	PXEWQJRWVFMFQC-HIFPTAJRSA-N	1	3	330.270	1.426	20	30		EDEDHO
C#CCN1CCC(C(=O)N(C)[C@H]2CC[N@H+](C[C@@H]3CCCCO3)C2)CC1	ZINC001033684362	708496882	/nfs/dbraw/zinc/49/68/82/708496882.db2.gz	NOXRDKGVOZPVDZ-OALUTQOASA-N	1	3	347.503	1.433	20	30		EDEDHO
C#CCN1CCC(C(=O)N(C)[C@H]2CC[N@@H+](C[C@@H]3CCCCO3)C2)CC1	ZINC001033684362	708496885	/nfs/dbraw/zinc/49/68/85/708496885.db2.gz	NOXRDKGVOZPVDZ-OALUTQOASA-N	1	3	347.503	1.433	20	30		EDEDHO
CN1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(F)c(C#N)c1	ZINC001034881915	711282591	/nfs/dbraw/zinc/28/25/91/711282591.db2.gz	PMAASVHMXMRYHA-AEFFLSMTSA-N	1	3	344.434	1.872	20	30		EDEDHO
CCO[C@@H]1CN(Cc2ccccc2)C[C@H]1CNC1=[NH+]CCCN1C	ZINC000263202271	249329523	/nfs/dbraw/zinc/32/95/23/249329523.db2.gz	XMJOKAPUBYFBOM-QZTJIDSGSA-N	1	3	330.476	1.805	20	30		EDEDHO
C#CCN1CCC(C(=O)NCC2([NH+]3CCCC3)CCOCC2)CC1	ZINC000490614668	255094693	/nfs/dbraw/zinc/09/46/93/255094693.db2.gz	BGWQOZOXZVXKFR-UHFFFAOYSA-N	1	3	333.476	1.093	20	30		EDEDHO
N#Cc1ccc(NCC[NH+]2CCCC2)nc1NCCN1CCCC1	ZINC000278169010	268155521	/nfs/dbraw/zinc/15/55/21/268155521.db2.gz	CLBBHISBHQWMQS-UHFFFAOYSA-N	1	3	328.464	1.969	20	30		EDEDHO
C[NH+]1CCC(N2CCC(NC(=O)N3CCC(C)(C#N)CC3)CC2)CC1	ZINC000378592964	447446047	/nfs/dbraw/zinc/44/60/47/447446047.db2.gz	VESMQCDIJBRSKZ-UHFFFAOYSA-N	1	3	347.507	1.880	20	30		EDEDHO
CCN1CCC[C@H]1CNC(=[NH2+])NCC[C@@H]1c2ccccc2NC1=O	ZINC000170907438	442286399	/nfs/dbraw/zinc/28/63/99/442286399.db2.gz	KRWNALLYQCDZOK-DZGCQCFKSA-N	1	3	329.448	1.501	20	30		EDEDHO
CCN1CCC[C@@H]1CNC(=[NH2+])NCCOc1ncccc1Cl	ZINC000268436495	442988728	/nfs/dbraw/zinc/98/87/28/442988728.db2.gz	KIEGCTPRJISIJD-GFCCVEGCSA-N	1	3	325.844	1.502	20	30		EDEDHO
CCN1CCC[C@H]1CNC(=[NH2+])NCc1cnn(-c2ccccc2)c1	ZINC000264123008	443250646	/nfs/dbraw/zinc/25/06/46/443250646.db2.gz	RLYCNSGYDAOLMB-KRWDZBQOSA-N	1	3	326.448	1.761	20	30		EDEDHO
[NH2+]=C(NCc1ccccc1CN1CC[C@@H](O)C1)NC1CCCCC1	ZINC000272999271	443514512	/nfs/dbraw/zinc/51/45/12/443514512.db2.gz	UJZCINWLUPWGHH-GOSISDBHSA-N	1	3	330.476	1.990	20	30		EDEDHO
CCN1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(COCCOC)cc1	ZINC000290952088	443719968	/nfs/dbraw/zinc/71/99/68/443719968.db2.gz	MCMMQGSTVWYERH-GOSISDBHSA-N	1	3	348.491	1.738	20	30		EDEDHO
CN(CCNC(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)C1CC1	ZINC000329300018	444526737	/nfs/dbraw/zinc/52/67/37/444526737.db2.gz	VISXOZNPZVLVRU-SJORKVTESA-N	1	3	338.496	1.352	20	30		EDEDHO
C[C@@H]1CN(C[C@@H](O)c2ccc(C#N)cc2)CC[N@@H+]1C1CCN(C)CC1	ZINC000373529033	446249110	/nfs/dbraw/zinc/24/91/10/446249110.db2.gz	KRPSMUCVNBKZTQ-OXQOHEQNSA-N	1	3	342.487	1.692	20	30		EDEDHO
C[C@@H]1CN(C[C@@H](O)c2ccc(C#N)cc2)CC[N@H+]1C1CCN(C)CC1	ZINC000373529033	446249115	/nfs/dbraw/zinc/24/91/15/446249115.db2.gz	KRPSMUCVNBKZTQ-OXQOHEQNSA-N	1	3	342.487	1.692	20	30		EDEDHO
C(#CC[N@@H+]1CCC[C@@]2(CCOC2)C1)CN1CCC[C@@]2(CCOC2)C1	ZINC000451912359	447781562	/nfs/dbraw/zinc/78/15/62/447781562.db2.gz	SQJMQUMKXGXWFX-WOJBJXKFSA-N	1	3	332.488	1.995	20	30		EDEDHO
C(#CC[N@H+]1CCC[C@@]2(CCOC2)C1)CN1CCC[C@@]2(CCOC2)C1	ZINC000451912359	447781564	/nfs/dbraw/zinc/78/15/64/447781564.db2.gz	SQJMQUMKXGXWFX-WOJBJXKFSA-N	1	3	332.488	1.995	20	30		EDEDHO
C[C@H]1CCN(CC(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)C1	ZINC000566435237	448469360	/nfs/dbraw/zinc/46/93/60/448469360.db2.gz	GWRWKGOFHAEWAL-INIZCTEOSA-N	1	3	328.460	1.790	20	30		EDEDHO
C=CCN(CC=C)[C@H](CNC(=O)N1CCO[C@@H]([C@H](C)[NH3+])C1)C(C)C	ZINC000669385714	486021538	/nfs/dbraw/zinc/02/15/38/486021538.db2.gz	PSTXFPGJPAKTCU-GVDBMIGSSA-N	1	3	338.496	1.443	20	30		EDEDHO
CCN1CCC[C@H]1CNC(=[NH2+])NCc1ccc(N2CCOCC2)cc1	ZINC000264067304	535597827	/nfs/dbraw/zinc/59/78/27/535597827.db2.gz	BWBIBRRXUSTKDG-SFHVURJKSA-N	1	3	345.491	1.412	20	30		EDEDHO
C#CCOc1ccccc1NC(=O)N(CCN(C)C)CC[NH+](C)C	ZINC000784462677	580621421	/nfs/dbraw/zinc/62/14/21/580621421.db2.gz	YYKWBUOFVRAOPX-UHFFFAOYSA-N	1	3	332.448	1.656	20	30		EDEDHO
C=CCN1CCC(NC(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)CC1	ZINC000891521546	591106406	/nfs/dbraw/zinc/10/64/06/591106406.db2.gz	IVWQGYPHWNVDQP-MRXNPFEDSA-N	1	3	336.480	1.095	20	30		EDEDHO
C=C(CC[NH+](C)C)C(=O)NCc1ccccc1CN1CC[C@@H](O)C1	ZINC000907291417	592587223	/nfs/dbraw/zinc/58/72/23/592587223.db2.gz	IZQJJOOSAFSIPU-GOSISDBHSA-N	1	3	331.460	1.377	20	30		EDEDHO
CC(=NNC(=S)NCCC[NH+](C)C)c1ccc(CN(C)C)cc1	ZINC000814845459	593604742	/nfs/dbraw/zinc/60/47/42/593604742.db2.gz	MDQFJMFLXWDLSZ-UHFFFAOYSA-N	1	3	335.521	1.888	20	30		EDEDHO
CN(Cc1ccccc1)[C@@H]1CCN(C(=O)C#CC2CC[NH2+]CC2)C1	ZINC000852869337	595589108	/nfs/dbraw/zinc/58/91/08/595589108.db2.gz	CPBURWZVKUPJDM-LJQANCHMSA-N	1	3	325.456	1.722	20	30		EDEDHO
CC(C)[NH+]1CCC(O)(CNCc2cc(C#N)ccc2N(C)C)CC1	ZINC000865491521	596590146	/nfs/dbraw/zinc/59/01/46/596590146.db2.gz	GPIIYPKQNWYOSF-UHFFFAOYSA-N	1	3	330.476	1.949	20	30		EDEDHO
CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)C2CC3(C2)CNC[C@H]3C#N)CC1	ZINC000884345561	598076286	/nfs/dbraw/zinc/07/62/86/598076286.db2.gz	IWMIDYWJVIIZTJ-BWRBCVJASA-N	1	3	330.476	1.362	20	30		EDEDHO
N#C[C@@H]1CNCC12CC(C(=O)N1CCC([C@@H]3CCC[NH2+]C3)CC1)C2	ZINC000884394571	598091950	/nfs/dbraw/zinc/09/19/50/598091950.db2.gz	IYDLFLWUYCLYMV-FXQQTDPRSA-N	1	3	330.476	1.364	20	30		EDEDHO
C#CCC1(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CCC1	ZINC000915500534	695935117	/nfs/dbraw/zinc/93/51/17/695935117.db2.gz	NUDZEDYYJCJHQO-UHFFFAOYSA-N	1	3	332.492	1.790	20	30		EDEDHO
C#CCN1CC[C@@H](CN(Cc2cccnc2)C(=O)[C@@H]2CC[N@@H+](C)C2)C1	ZINC000995266439	703182028	/nfs/dbraw/zinc/18/20/28/703182028.db2.gz	HMYIJKZVYXRZEU-RTBURBONSA-N	1	3	340.471	1.317	20	30		EDEDHO
C#CCN1CC[C@@H](CN(Cc2cccnc2)C(=O)[C@@H]2CC[N@H+](C)C2)C1	ZINC000995266439	703182030	/nfs/dbraw/zinc/18/20/30/703182030.db2.gz	HMYIJKZVYXRZEU-RTBURBONSA-N	1	3	340.471	1.317	20	30		EDEDHO
CC[C@@H](C(=O)N1CCC([NH2+]Cc2cccc(C#N)c2)CC1)N(C)C	ZINC000997010200	703270583	/nfs/dbraw/zinc/27/05/83/703270583.db2.gz	RIGPYHAFDAZLNF-SFHVURJKSA-N	1	3	328.460	1.979	20	30		EDEDHO
C#CCC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CN3CC4CC3(C4)CO2)CC1	ZINC000997228354	703503987	/nfs/dbraw/zinc/50/39/87/703503987.db2.gz	GTATWDYZCMFXQL-LOPSVYGOSA-N	1	3	345.487	1.090	20	30		EDEDHO
C#CCN1CCC([C@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)CC1	ZINC000997612639	703909910	/nfs/dbraw/zinc/90/99/10/703909910.db2.gz	ANCZIYDQHBEPMG-LPHOPBHVSA-N	1	3	347.503	1.480	20	30		EDEDHO
C#CCN1CCC([C@H](C)NC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)CC1	ZINC000997612639	703909911	/nfs/dbraw/zinc/90/99/11/703909911.db2.gz	ANCZIYDQHBEPMG-LPHOPBHVSA-N	1	3	347.503	1.480	20	30		EDEDHO
C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CN4CCC[C@H]4CO3)CC[C@@H]2C1	ZINC000946597724	704293046	/nfs/dbraw/zinc/29/30/46/704293046.db2.gz	HSYNSECKIMGERI-ZSYWTGECSA-N	1	3	347.503	1.596	20	30		EDEDHO
C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CN4CCC[C@H]4CO3)CC[C@@H]2C1	ZINC000946597724	704293048	/nfs/dbraw/zinc/29/30/48/704293048.db2.gz	HSYNSECKIMGERI-ZSYWTGECSA-N	1	3	347.503	1.596	20	30		EDEDHO
CN1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1cccc(C#N)c1	ZINC001034882366	711283149	/nfs/dbraw/zinc/28/31/49/711283149.db2.gz	VZRHVLLPUXMTMP-MSOLQXFVSA-N	1	3	326.444	1.733	20	30		EDEDHO
CN(C)CCN(Cc1cccc(C#N)c1)C(=O)C1CC[NH+](C)CC1	ZINC000081300851	217380366	/nfs/dbraw/zinc/38/03/66/217380366.db2.gz	QETQLHFCLJXYDI-UHFFFAOYSA-N	1	3	328.460	1.790	20	30		EDEDHO
COc1cccc([C@H](CNC(=O)[C@H]([NH3+])CCCC#N)N2CCCC2)c1	ZINC000424142632	252142293	/nfs/dbraw/zinc/14/22/93/252142293.db2.gz	VKCODSSPUVVNTB-MSOLQXFVSA-N	1	3	344.459	1.969	20	30		EDEDHO
CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1cc(C#N)[nH]c1C	ZINC000448853362	279329454	/nfs/dbraw/zinc/32/94/54/279329454.db2.gz	OMMJMBRXEVCZNY-INIZCTEOSA-N	1	3	331.464	1.683	20	30		EDEDHO
CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1cc(C#N)[nH]c1C	ZINC000448853362	279329455	/nfs/dbraw/zinc/32/94/55/279329455.db2.gz	OMMJMBRXEVCZNY-INIZCTEOSA-N	1	3	331.464	1.683	20	30		EDEDHO
C=CCN(CC=C)C(=O)CN(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1	ZINC000378428621	447426351	/nfs/dbraw/zinc/42/63/51/447426351.db2.gz	JRYXBSOYNBOTOF-SFHVURJKSA-N	1	3	334.508	1.287	20	30		EDEDHO
C#CC[N@@H+](C)CCCNC(=O)N[C@H](CN(C)C)c1ccc(F)cc1	ZINC000297226899	444278180	/nfs/dbraw/zinc/27/81/80/444278180.db2.gz	FNPDSXVUJZXAKE-QGZVFWFLSA-N	1	3	334.439	1.683	20	30		EDEDHO
C#CC[N@H+](C)CCCNC(=O)N[C@H](CN(C)C)c1ccc(F)cc1	ZINC000297226899	444278182	/nfs/dbraw/zinc/27/81/82/444278182.db2.gz	FNPDSXVUJZXAKE-QGZVFWFLSA-N	1	3	334.439	1.683	20	30		EDEDHO
N#Cc1cccc(CN2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)c1	ZINC000325808322	444369526	/nfs/dbraw/zinc/36/95/26/444369526.db2.gz	OWSBAAKBNPENLZ-QZTJIDSGSA-N	1	3	326.444	1.638	20	30		EDEDHO
C#CCN1CCC(C(=O)N2CC[N@H+](C3CCOCC3)C[C@H]2C)CC1	ZINC000365340289	446157845	/nfs/dbraw/zinc/15/78/45/446157845.db2.gz	APPXYTIXGROPDK-MRXNPFEDSA-N	1	3	333.476	1.043	20	30		EDEDHO
C#CCN1CCC(C(=O)N2CC[N@@H+](C3CCOCC3)C[C@H]2C)CC1	ZINC000365340289	446157848	/nfs/dbraw/zinc/15/78/48/446157848.db2.gz	APPXYTIXGROPDK-MRXNPFEDSA-N	1	3	333.476	1.043	20	30		EDEDHO
C=CCN(CC=C)[C@H](CNC(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1)C(C)C	ZINC000417056894	447731823	/nfs/dbraw/zinc/73/18/23/447731823.db2.gz	AHMTYUTUNTYLAC-FGTMMUONSA-N	1	3	334.508	1.936	20	30		EDEDHO
CC1(C)C[C@@H](O)CCN(CC#CC[N@@H+]2CC[C@H](O)CC(C)(C)C2)C1	ZINC000451807033	447754944	/nfs/dbraw/zinc/75/49/44/447754944.db2.gz	GFCQODKXOVCRIT-ROUUACIJSA-N	1	3	336.520	1.956	20	30		EDEDHO
CC1(C)C[C@@H](O)CCN(CC#CC[N@H+]2CC[C@H](O)CC(C)(C)C2)C1	ZINC000451807033	447754950	/nfs/dbraw/zinc/75/49/50/447754950.db2.gz	GFCQODKXOVCRIT-ROUUACIJSA-N	1	3	336.520	1.956	20	30		EDEDHO
C=CCCOCCNC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1	ZINC000574338218	448850312	/nfs/dbraw/zinc/85/03/12/448850312.db2.gz	QRCJOAOULUMAAB-UHFFFAOYSA-N	1	3	337.508	1.892	20	30		EDEDHO
C[C@H](N)[C@H]1COCC[C@H]1[NH2+]C1CCN(Cc2cccc(C#N)c2)CC1	ZINC000593324023	449226984	/nfs/dbraw/zinc/22/69/84/449226984.db2.gz	VUOAZLWAQGPVHV-CWFSZBLJSA-N	1	3	342.487	1.865	20	30		EDEDHO
C[N@H+](CCc1ccccc1)[C@H]1CCN(C(=O)[C@H](N)CCCC#N)C1	ZINC000595949225	449275538	/nfs/dbraw/zinc/27/55/38/449275538.db2.gz	YMHJDYWVOTWMJH-ZWKOTPCHSA-N	1	3	328.460	1.783	20	30		EDEDHO
C[N@@H+](CCc1ccccc1)[C@H]1CCN(C(=O)[C@H](N)CCCC#N)C1	ZINC000595949225	449275541	/nfs/dbraw/zinc/27/55/41/449275541.db2.gz	YMHJDYWVOTWMJH-ZWKOTPCHSA-N	1	3	328.460	1.783	20	30		EDEDHO
Cc1cc(NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)ncc1C#N	ZINC000603111005	450073362	/nfs/dbraw/zinc/07/33/62/450073362.db2.gz	HXSWVVYLCZQHDA-AWEZNQCLSA-N	1	3	332.452	1.655	20	30		EDEDHO
Cc1cc(NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)ncc1C#N	ZINC000603111005	450073363	/nfs/dbraw/zinc/07/33/63/450073363.db2.gz	HXSWVVYLCZQHDA-AWEZNQCLSA-N	1	3	332.452	1.655	20	30		EDEDHO
CC(C)CCNC(=[NH2+])NCCCN1CCN(c2ccncc2)CC1	ZINC000264073016	535385021	/nfs/dbraw/zinc/38/50/21/535385021.db2.gz	DRKYTJPIYVIOAY-UHFFFAOYSA-N	1	3	332.496	1.544	20	30		EDEDHO
C#C[C@H](NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)[C@@H]1CCCO1	ZINC000773272902	580332337	/nfs/dbraw/zinc/33/23/37/580332337.db2.gz	KJRUCBKCRWHKJY-ROUUACIJSA-N	1	3	348.491	1.025	20	30		EDEDHO
N#Cc1ccc(NC(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CCNCC2)cc1	ZINC000905295116	592487337	/nfs/dbraw/zinc/48/73/37/592487337.db2.gz	OXJCQKZCXVNGIY-HDICACEKSA-N	1	3	339.443	1.991	20	30		EDEDHO
N#Cc1ccc(NC(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CCNCC2)cc1	ZINC000905295116	592487341	/nfs/dbraw/zinc/48/73/41/592487341.db2.gz	OXJCQKZCXVNGIY-HDICACEKSA-N	1	3	339.443	1.991	20	30		EDEDHO
N#CCCC[C@H](N)C(=O)Nc1cccc(C(=O)OC[C@H]2CCC[NH2+]2)c1	ZINC000818539848	593704005	/nfs/dbraw/zinc/70/40/05/593704005.db2.gz	VXARCWCIHYENIU-CVEARBPZSA-N	1	3	344.415	1.555	20	30		EDEDHO
C#C[C@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)c1ccc(F)cc1	ZINC000820490787	593823553	/nfs/dbraw/zinc/82/35/53/593823553.db2.gz	QPBVLYOEPMRDOO-KRWDZBQOSA-N	1	3	334.439	1.635	20	30		EDEDHO
O=C(C#CC1CC[NH2+]CC1)NC[C@@H](c1ccccc1)N1CCCC1	ZINC000852854402	595577083	/nfs/dbraw/zinc/57/70/83/595577083.db2.gz	HJNOXAHVEUXFND-IBGZPJMESA-N	1	3	325.456	1.943	20	30		EDEDHO
CN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)C#CC1CC[NH2+]CC1	ZINC000852868896	595588437	/nfs/dbraw/zinc/58/84/37/595588437.db2.gz	XLJGUWQDWIJKNO-FQEVSTJZSA-N	1	3	339.483	1.970	20	30		EDEDHO
C#CCN(C)CCCNC(=O)N1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1	ZINC000861634436	596053081	/nfs/dbraw/zinc/05/30/81/596053081.db2.gz	INCFBKWXWQFWHF-QWHCGFSZSA-N	1	3	334.386	1.110	20	30		EDEDHO
C=C(Cl)C[C@@H](N)C(=O)NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1	ZINC000876961721	597398211	/nfs/dbraw/zinc/39/82/11/597398211.db2.gz	WJLLAPQWHMFTLZ-HZPDHXFCSA-N	1	3	337.851	1.339	20	30		EDEDHO
C=C(Cl)C[C@@H](N)C(=O)NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1	ZINC000876961721	597398212	/nfs/dbraw/zinc/39/82/12/597398212.db2.gz	WJLLAPQWHMFTLZ-HZPDHXFCSA-N	1	3	337.851	1.339	20	30		EDEDHO
C=C(Cl)C[C@H](N)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1	ZINC000876964880	597399770	/nfs/dbraw/zinc/39/97/70/597399770.db2.gz	UKMDIEHKYJBYGU-QLFBSQMISA-N	1	3	325.815	1.857	20	30		EDEDHO
CN1CCN(C2CC[NH+](CCOc3ccc(C#N)cc3)CC2)CC1	ZINC000879591107	597648095	/nfs/dbraw/zinc/64/80/95/597648095.db2.gz	JSCNHWCGNJKJCB-UHFFFAOYSA-N	1	3	328.460	1.649	20	30		EDEDHO
C#CCN(C(=O)NC[C@H](C)[N@@H+]1CCCC[C@H]1C)C1CCN(C)CC1	ZINC000914074056	695068613	/nfs/dbraw/zinc/06/86/13/695068613.db2.gz	XKQFYZZVPNIKPZ-SJORKVTESA-N	1	3	334.508	1.988	20	30		EDEDHO
C#CCN(C(=O)NC[C@H](C)[N@H+]1CCCC[C@H]1C)C1CCN(C)CC1	ZINC000914074056	695068617	/nfs/dbraw/zinc/06/86/17/695068617.db2.gz	XKQFYZZVPNIKPZ-SJORKVTESA-N	1	3	334.508	1.988	20	30		EDEDHO
C#CCN(C(=O)N[C@H](C)C[N@@H+]1CCC[C@H](C)C1)C1CCN(C)CC1	ZINC000914342034	695366891	/nfs/dbraw/zinc/36/68/91/695366891.db2.gz	VEYJJKXVTAPDIF-DLBZAZTESA-N	1	3	334.508	1.846	20	30		EDEDHO
C#CCN(C(=O)N[C@H](C)C[N@H+]1CCC[C@H](C)C1)C1CCN(C)CC1	ZINC000914342034	695366892	/nfs/dbraw/zinc/36/68/92/695366892.db2.gz	VEYJJKXVTAPDIF-DLBZAZTESA-N	1	3	334.508	1.846	20	30		EDEDHO
C=CCN1CC[NH+](C2CCC(NC(=O)CN3CCC[C@H]3C)CC2)CC1	ZINC000996789643	703082127	/nfs/dbraw/zinc/08/21/27/703082127.db2.gz	QLZOIQDSVIIEEO-LMDPOFIKSA-N	1	3	348.535	1.702	20	30		EDEDHO
CN(C)[C@@H](C(=O)N1CCC[C@@H]([NH2+]Cc2cccc(C#N)c2)C1)C1CC1	ZINC000999366990	706880914	/nfs/dbraw/zinc/88/09/14/706880914.db2.gz	DDTMTYWJKZRWMC-RTBURBONSA-N	1	3	340.471	1.979	20	30		EDEDHO
C#CCN1CCC(C(=O)N(C)[C@H]2CC[N@@H+](C[C@@H](CC)OC)C2)CC1	ZINC001033686063	708500567	/nfs/dbraw/zinc/50/05/67/708500567.db2.gz	ZGNVQTGMYDFIHT-ZWKOTPCHSA-N	1	3	335.492	1.289	20	30		EDEDHO
C#CCN1CCC(C(=O)N(C)[C@H]2CC[N@H+](C[C@@H](CC)OC)C2)CC1	ZINC001033686063	708500569	/nfs/dbraw/zinc/50/05/69/708500569.db2.gz	ZGNVQTGMYDFIHT-ZWKOTPCHSA-N	1	3	335.492	1.289	20	30		EDEDHO
C#CCN1CCC(C(=O)N[C@H]2CC[C@H]([NH2+]C[C@H]3CCOC3)CC2)CC1	ZINC001034799470	711135930	/nfs/dbraw/zinc/13/59/30/711135930.db2.gz	QRHIRFDKIQUZAV-BHIYHBOVSA-N	1	3	347.503	1.385	20	30		EDEDHO
C[NH+]=C(NCCNc1ccncc1)N1CC[C@@H](c2cnn(C)c2)C1	ZINC000262442854	533477505	/nfs/dbraw/zinc/47/75/05/533477505.db2.gz	HZYLPSJKRLIZBZ-CQSZACIVSA-N	1	3	327.436	1.292	20	30		EDEDHO
CN(C)CCN1CCC([NH2+][C@@H]2CCC[C@@H]3O[C@H](CC#N)C[C@@H]32)CC1	ZINC000373227341	289153948	/nfs/dbraw/zinc/15/39/48/289153948.db2.gz	JGTBYLHSUMSRGT-MKXGPGLRSA-N	1	3	334.508	1.842	20	30		EDEDHO
C[C@@H](CNC(=[NH2+])N[C@@H]1CCOc2ccccc21)CN1CCN(C)CC1	ZINC000083032489	441348287	/nfs/dbraw/zinc/34/82/87/441348287.db2.gz	MGQMURQSWQMSEI-DOTOQJQBSA-N	1	3	345.491	1.298	20	30		EDEDHO
C[NH+](C)CCC1CCN(C[C@@H](O)COc2ccc(C#N)cc2)CC1	ZINC000056524376	441722100	/nfs/dbraw/zinc/72/21/00/441722100.db2.gz	MZKWVJGEKSNIPA-GOSISDBHSA-N	1	3	331.460	1.962	20	30		EDEDHO
C[C@H](O)C[NH+]1CCC(CN(C)C(=O)N[C@@H]2CCN(C)[C@@H](C)C2)CC1	ZINC000329756715	444704046	/nfs/dbraw/zinc/70/40/46/444704046.db2.gz	MLJBFCVEQIJOED-YQQAZPJKSA-N	1	3	340.512	1.408	20	30		EDEDHO
C=C(C)C[NH+]1CCC(NC(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)CC1	ZINC000377564904	447208567	/nfs/dbraw/zinc/20/85/67/447208567.db2.gz	IZYMGOGZHGQZES-IAGOWNOFSA-N	1	3	336.480	1.189	20	30		EDEDHO
N#CCC[C@H](C#N)CNCCCN1CCN(c2cc[nH+]cc2)CC1	ZINC000577054532	448200310	/nfs/dbraw/zinc/20/03/10/448200310.db2.gz	BFMSBFALHOPPJA-QGZVFWFLSA-N	1	3	326.448	1.627	20	30		EDEDHO
CC(C)(C#N)C[C@@H](O)C[NH2+]Cc1ccccc1CN1CC[C@H](O)C1	ZINC000598723102	449564140	/nfs/dbraw/zinc/56/41/40/449564140.db2.gz	DUYVINVHMHHXPR-ZWKOTPCHSA-N	1	3	331.460	1.644	20	30		EDEDHO
C#CCN1CCC(C(=O)NCCC[N@@H+](C)Cc2ccccc2)CC1	ZINC000108713341	526923878	/nfs/dbraw/zinc/92/38/78/526923878.db2.gz	LWORRPFWXODRGR-UHFFFAOYSA-N	1	3	327.472	1.970	20	30		EDEDHO
C#CCN1CCC(C(=O)NCCC[N@H+](C)Cc2ccccc2)CC1	ZINC000108713341	526923881	/nfs/dbraw/zinc/92/38/81/526923881.db2.gz	LWORRPFWXODRGR-UHFFFAOYSA-N	1	3	327.472	1.970	20	30		EDEDHO
CCN1CCC[C@H]1CNC(=[NH2+])NCC[C@H]1c2ccccc2NC1=O	ZINC000245900904	535598096	/nfs/dbraw/zinc/59/80/96/535598096.db2.gz	KRWNALLYQCDZOK-ZFWWWQNUSA-N	1	3	329.448	1.501	20	30		EDEDHO
CCOCCC[N@@H+]1CCC(=NNC2=N[C@H]3CCCC[C@H]3N2)[C@@H](C)C1	ZINC000753933132	579891504	/nfs/dbraw/zinc/89/15/04/579891504.db2.gz	BMBCYKXHAVSQSC-BHYGNILZSA-N	1	3	335.496	1.971	20	30		EDEDHO
CCOCCC[N@H+]1CCC(=NNC2=N[C@H]3CCCC[C@H]3N2)[C@@H](C)C1	ZINC000753933132	579891505	/nfs/dbraw/zinc/89/15/05/579891505.db2.gz	BMBCYKXHAVSQSC-BHYGNILZSA-N	1	3	335.496	1.971	20	30		EDEDHO
N#Cc1ccc([C@H](O)C[NH2+]C2CCN(C[C@@H]3CCOC3)CC2)cc1	ZINC000819083968	593737899	/nfs/dbraw/zinc/73/78/99/593737899.db2.gz	IYEKUWZXXFNQDS-QFBILLFUSA-N	1	3	329.444	1.682	20	30		EDEDHO
COc1cc(C#N)ccc1C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C	ZINC000824818461	594079937	/nfs/dbraw/zinc/07/99/37/594079937.db2.gz	GNWMWXXTYGISAP-AWEZNQCLSA-N	1	3	332.448	1.569	20	30		EDEDHO
COc1cc(C#N)ccc1C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C	ZINC000824818461	594079939	/nfs/dbraw/zinc/07/99/39/594079939.db2.gz	GNWMWXXTYGISAP-AWEZNQCLSA-N	1	3	332.448	1.569	20	30		EDEDHO
C=CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CN4CCC[C@@H]4CO3)CC[C@@H]2C1	ZINC000946597685	704292456	/nfs/dbraw/zinc/29/24/56/704292456.db2.gz	GIRMKLKTDZJNNX-XMTFNYHQSA-N	1	3	333.476	1.206	20	30		EDEDHO
C=CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CN4CCC[C@@H]4CO3)CC[C@@H]2C1	ZINC000946597685	704292458	/nfs/dbraw/zinc/29/24/58/704292458.db2.gz	GIRMKLKTDZJNNX-XMTFNYHQSA-N	1	3	333.476	1.206	20	30		EDEDHO
C=C(Cl)CN[C@@H]1CCCN(C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1	ZINC000999764461	707318941	/nfs/dbraw/zinc/31/89/41/707318941.db2.gz	KMNLTMDLNHEYHO-DGNOSDGRSA-N	1	3	339.867	1.183	20	30		EDEDHO
C=C(Cl)CN[C@@H]1CCCN(C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1	ZINC000999764461	707318947	/nfs/dbraw/zinc/31/89/47/707318947.db2.gz	KMNLTMDLNHEYHO-DGNOSDGRSA-N	1	3	339.867	1.183	20	30		EDEDHO
C#CCNC(=O)CCNCc1ccc(OCC[NH+]2CCCC2)cc1	ZINC000491071829	255118735	/nfs/dbraw/zinc/11/87/35/255118735.db2.gz	NKXKYFAJJQGDDZ-UHFFFAOYSA-N	1	3	329.444	1.390	20	30		EDEDHO
CCN1CCC[C@@H]1CNC(=[NH2+])NCc1cccc(-c2n[nH]c(C)n2)c1	ZINC000134233206	442459383	/nfs/dbraw/zinc/45/93/83/442459383.db2.gz	YMAJJMMEXWFNEX-MRXNPFEDSA-N	1	3	341.463	1.669	20	30		EDEDHO
CCN1CCN(Cc2ccccc2CNC(NC2CC2)=[NH+]C)CC1	ZINC000264024402	443245485	/nfs/dbraw/zinc/24/54/85/443245485.db2.gz	ASDHRUXNOQWRBH-UHFFFAOYSA-N	1	3	329.492	1.652	20	30		EDEDHO
CC(C)CNC(=[NH2+])NCCCN1CCN(C)C[C@H]1c1ccccc1	ZINC000264103804	443248679	/nfs/dbraw/zinc/24/86/79/443248679.db2.gz	OVSQQZDWYLLNBM-SFHVURJKSA-N	1	3	331.508	1.926	20	30		EDEDHO
CN(C(=[NH2+])NCCCCN1CCN(Cc2ccccc2)CC1)C1CC1	ZINC000273345579	443567404	/nfs/dbraw/zinc/56/74/04/443567404.db2.gz	ONONJFOWGNBKLK-UHFFFAOYSA-N	1	3	343.519	1.993	20	30		EDEDHO
CCN1CCC[C@H]1CNC(=[NH2+])NCc1cccc(-c2nc[nH]n2)c1	ZINC000304751003	444252463	/nfs/dbraw/zinc/25/24/63/444252463.db2.gz	IVFZRYVUVZSBEM-HNNXBMFYSA-N	1	3	327.436	1.360	20	30		EDEDHO
C[C@H](O)[C@H]1C[C@@H](C)CC[N@H+]1CC#CCN1CC[C@@H](C)C[C@H]1[C@H](C)O	ZINC000342153837	444538274	/nfs/dbraw/zinc/53/82/74/444538274.db2.gz	CJUHZASVLZBAOR-APNJTCTJSA-N	1	3	336.520	1.952	20	30		EDEDHO
C[C@H](O)[C@H]1C[C@@H](C)CC[N@@H+]1CC#CCN1CC[C@@H](C)C[C@H]1[C@H](C)O	ZINC000342153837	444538278	/nfs/dbraw/zinc/53/82/78/444538278.db2.gz	CJUHZASVLZBAOR-APNJTCTJSA-N	1	3	336.520	1.952	20	30		EDEDHO
C[C@H](O)[C@H]1C[C@@H](C)CCN1CC#CC[N@@H+]1CC[C@@H](C)C[C@H]1[C@H](C)O	ZINC000342153837	444538282	/nfs/dbraw/zinc/53/82/82/444538282.db2.gz	CJUHZASVLZBAOR-APNJTCTJSA-N	1	3	336.520	1.952	20	30		EDEDHO
C[C@H](O)[C@H]1C[C@@H](C)CCN1CC#CC[N@H+]1CC[C@@H](C)C[C@H]1[C@H](C)O	ZINC000342153837	444538288	/nfs/dbraw/zinc/53/82/88/444538288.db2.gz	CJUHZASVLZBAOR-APNJTCTJSA-N	1	3	336.520	1.952	20	30		EDEDHO
C#CCN1CCC(C(=O)N[C@H]2C[N@@H+](C)C[C@H]2c2ccccc2)CC1	ZINC000374314068	446362024	/nfs/dbraw/zinc/36/20/24/446362024.db2.gz	VXPNWARKLFPEET-OALUTQOASA-N	1	3	325.456	1.546	20	30		EDEDHO
C#CCN1CCC(C(=O)N[C@H]2C[N@H+](C)C[C@H]2c2ccccc2)CC1	ZINC000374314068	446362026	/nfs/dbraw/zinc/36/20/26/446362026.db2.gz	VXPNWARKLFPEET-OALUTQOASA-N	1	3	325.456	1.546	20	30		EDEDHO
CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCC[NH2+]C1	ZINC000418392534	446526691	/nfs/dbraw/zinc/52/66/91/446526691.db2.gz	ZNGUEEHBHINJED-QGZVFWFLSA-N	1	3	329.448	1.383	20	30		EDEDHO
C[C@@H](C(=O)N(C)CCC#N)N1CCC2(C[C@H]2C[N@H+](C)C2CC2)CC1	ZINC000367309818	446535799	/nfs/dbraw/zinc/53/57/99/446535799.db2.gz	KYGHXLPUWHLENS-HOTGVXAUSA-N	1	3	332.492	1.943	20	30		EDEDHO
C[C@@H](C(=O)N(C)CCC#N)N1CCC2(C[C@H]2C[N@@H+](C)C2CC2)CC1	ZINC000367309818	446535806	/nfs/dbraw/zinc/53/58/06/446535806.db2.gz	KYGHXLPUWHLENS-HOTGVXAUSA-N	1	3	332.492	1.943	20	30		EDEDHO
CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCC1(CC#N)CC1	ZINC000431206964	447793615	/nfs/dbraw/zinc/79/36/15/447793615.db2.gz	LWIYZZMYJMSWME-MRXNPFEDSA-N	1	3	335.496	1.738	20	30		EDEDHO
CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCC1(CC#N)CC1	ZINC000431206964	447793620	/nfs/dbraw/zinc/79/36/20/447793620.db2.gz	LWIYZZMYJMSWME-MRXNPFEDSA-N	1	3	335.496	1.738	20	30		EDEDHO
C#CCN(C)CCCNC(=O)N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1	ZINC000491742324	448097396	/nfs/dbraw/zinc/09/73/96/448097396.db2.gz	WRCBPIPCXTZFHQ-IRXDYDNUSA-N	1	3	334.508	1.894	20	30		EDEDHO
C#CCN(C)CCCNC(=O)N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1	ZINC000491742324	448097397	/nfs/dbraw/zinc/09/73/97/448097397.db2.gz	WRCBPIPCXTZFHQ-IRXDYDNUSA-N	1	3	334.508	1.894	20	30		EDEDHO
OC1([C@@H]2CCCCN2CC#CC[N@@H+]2CCCC[C@H]2C2(O)CC2)CC1	ZINC000568601531	448893414	/nfs/dbraw/zinc/89/34/14/448893414.db2.gz	YWJMYJJKUNQQQY-ROUUACIJSA-N	1	3	332.488	1.749	20	30		EDEDHO
OC1([C@@H]2CCCCN2CC#CC[N@H+]2CCCC[C@H]2C2(O)CC2)CC1	ZINC000568601531	448893415	/nfs/dbraw/zinc/89/34/15/448893415.db2.gz	YWJMYJJKUNQQQY-ROUUACIJSA-N	1	3	332.488	1.749	20	30		EDEDHO
C=CCN1CCC(NC(=O)N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)CC1	ZINC000580053225	448938297	/nfs/dbraw/zinc/93/82/97/448938297.db2.gz	IUJLCSZQLVUTPV-ZWKOTPCHSA-N	1	3	328.460	1.692	20	30		EDEDHO
CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1	ZINC000599936251	449116013	/nfs/dbraw/zinc/11/60/13/449116013.db2.gz	NCPBBSAFOFAUHH-ZWKOTPCHSA-N	1	3	343.475	1.772	20	30		EDEDHO
N#CC1(C[C@@H](O)C[NH2+]Cc2ccc(CN3CCC(O)CC3)cc2)CC1	ZINC000600727000	449520332	/nfs/dbraw/zinc/52/03/32/449520332.db2.gz	NSWCSLNKCVLJIP-LJQANCHMSA-N	1	3	343.471	1.788	20	30		EDEDHO
CC(C)(C#N)C[C@H](O)C[NH2+]Cc1ccccc1CN1CC[C@H](O)C1	ZINC000598723101	449564035	/nfs/dbraw/zinc/56/40/35/449564035.db2.gz	DUYVINVHMHHXPR-ROUUACIJSA-N	1	3	331.460	1.644	20	30		EDEDHO
CCN1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(-n2ccnc2)c(F)c1	ZINC000264106116	535549345	/nfs/dbraw/zinc/54/93/45/535549345.db2.gz	PLNYIZKZCICMHN-OAHLLOKOSA-N	1	3	344.438	1.900	20	30		EDEDHO
C[NH+]1CCC(CNCC#Cc2ccccc2)(N2CCOCC2)CC1	ZINC000894894722	591462083	/nfs/dbraw/zinc/46/20/83/591462083.db2.gz	NGUQREZIUOSUHZ-UHFFFAOYSA-N	1	3	327.472	1.424	20	30		EDEDHO
C#CCCN1CCC[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@@H]1C	ZINC000993990096	696484072	/nfs/dbraw/zinc/48/40/72/696484072.db2.gz	QHYPNPFLSWLLGM-RDJZCZTQSA-N	1	3	331.464	1.051	20	30		EDEDHO
C#CCN1CCC(C(=O)NCC2C[NH+](CC3CC(F)(F)C3)C2)CC1	ZINC001032207481	702196638	/nfs/dbraw/zinc/19/66/38/702196638.db2.gz	SRZIHUXDWGLJMM-UHFFFAOYSA-N	1	3	339.430	1.425	20	30		EDEDHO
CN(C)[C@@H](C(=O)N1CCC([NH2+]Cc2ccc(C#N)cc2)CC1)C1CC1	ZINC000996674151	702969345	/nfs/dbraw/zinc/96/93/45/702969345.db2.gz	AKZAZVKOHHISBI-LJQANCHMSA-N	1	3	340.471	1.979	20	30		EDEDHO
N#Cc1cccc(C[NH2+]C2CCN(C(=O)CN3CCCC3)CC2)c1	ZINC000997307379	703565763	/nfs/dbraw/zinc/56/57/63/703565763.db2.gz	PHSWWMLAAJDXHW-UHFFFAOYSA-N	1	3	326.444	1.735	20	30		EDEDHO
CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@H](N)CCCC#N	ZINC000424141708	252139296	/nfs/dbraw/zinc/13/92/96/252139296.db2.gz	HOXTTYFQXPRYGW-MSOLQXFVSA-N	1	3	328.460	1.988	20	30		EDEDHO
CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@H](N)CCCC#N	ZINC000424141708	252139301	/nfs/dbraw/zinc/13/93/01/252139301.db2.gz	HOXTTYFQXPRYGW-MSOLQXFVSA-N	1	3	328.460	1.988	20	30		EDEDHO
N#Cc1ncn(CC[NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@H]32)n1	ZINC000367520759	154159605	/nfs/dbraw/zinc/15/96/05/154159605.db2.gz	YPDGBIDJCFHKBV-RCCFBDPRSA-N	1	3	336.443	1.650	20	30		EDEDHO
N#Cc1ncn(CCN[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)n1	ZINC000367520759	154159610	/nfs/dbraw/zinc/15/96/10/154159610.db2.gz	YPDGBIDJCFHKBV-RCCFBDPRSA-N	1	3	336.443	1.650	20	30		EDEDHO
N#Cc1ncn(CCN[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)n1	ZINC000367520759	154159615	/nfs/dbraw/zinc/15/96/15/154159615.db2.gz	YPDGBIDJCFHKBV-RCCFBDPRSA-N	1	3	336.443	1.650	20	30		EDEDHO
CCN1CCC[C@H]1CNC(=[NH2+])NCc1ccnc(OC(F)F)c1	ZINC000284182844	443768782	/nfs/dbraw/zinc/76/87/82/443768782.db2.gz	XSZULPZOTNALGC-LBPRGKRZSA-N	1	3	327.379	1.572	20	30		EDEDHO
COc1ccccc1CNC(=[NH2+])NCCCN1CCCO[C@H](C)C1	ZINC000277487988	443992928	/nfs/dbraw/zinc/99/29/28/443992928.db2.gz	UUJVQCOTNSOWAO-OAHLLOKOSA-N	1	3	334.464	1.600	20	30		EDEDHO
C[C@@H](C(=O)Nc1cccc(C#N)c1)N(C)CCCN(C)CC[NH+](C)C	ZINC000289483922	444155836	/nfs/dbraw/zinc/15/58/36/444155836.db2.gz	SAOAXYQFSLGNQS-INIZCTEOSA-N	1	3	345.491	1.701	20	30		EDEDHO
C#CCN1CCC(C(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)CC1	ZINC000305100228	444257643	/nfs/dbraw/zinc/25/76/43/444257643.db2.gz	BEJXLKBFVROPAI-RBUKOAKNSA-N	1	3	347.503	1.216	20	30		EDEDHO
C#CCN(C)CCCNC(=O)NCCC[N@H+](C)Cc1ccccc1	ZINC000297465948	444289217	/nfs/dbraw/zinc/28/92/17/444289217.db2.gz	NKZAMBUMRBFZHS-UHFFFAOYSA-N	1	3	330.476	1.763	20	30		EDEDHO
C#CCN(C)CCCNC(=O)NCCC[N@@H+](C)Cc1ccccc1	ZINC000297465948	444289218	/nfs/dbraw/zinc/28/92/18/444289218.db2.gz	NKZAMBUMRBFZHS-UHFFFAOYSA-N	1	3	330.476	1.763	20	30		EDEDHO
N#Cc1ccc([C@@H](NCC2CCN(c3cc[nH+]cc3)CC2)C(N)=O)cc1	ZINC000357073985	445408850	/nfs/dbraw/zinc/40/88/50/445408850.db2.gz	LZWKHGCQMUDQPL-LJQANCHMSA-N	1	3	349.438	1.986	20	30		EDEDHO
C[C@H]1C[N@H+](CCOc2ccccc2C#N)CC[C@H]1N1CCN(C)CC1	ZINC000362701035	445507777	/nfs/dbraw/zinc/50/77/77/445507777.db2.gz	DYXHRVCULTXBLF-PKOBYXMFSA-N	1	3	342.487	1.895	20	30		EDEDHO
C[C@H]1C[N@@H+](CCOc2ccccc2C#N)CC[C@H]1N1CCN(C)CC1	ZINC000362701035	445507779	/nfs/dbraw/zinc/50/77/79/445507779.db2.gz	DYXHRVCULTXBLF-PKOBYXMFSA-N	1	3	342.487	1.895	20	30		EDEDHO
CC(C)N1CCN(C2CC[NH+](CCC(=O)N(C)CCC#N)CC2)CC1	ZINC000367510886	446556976	/nfs/dbraw/zinc/55/69/76/446556976.db2.gz	UMJJEKFUXJSNNY-UHFFFAOYSA-N	1	3	349.523	1.239	20	30		EDEDHO
C#CCN1CCC(C(=O)N(C)C2CCN(c3cc[nH+]cc3)CC2)CC1	ZINC000368937574	447213090	/nfs/dbraw/zinc/21/30/90/447213090.db2.gz	QGJGEUATSBXYHY-UHFFFAOYSA-N	1	3	340.471	1.854	20	30		EDEDHO
C=CCN(CC=C)[C@H](CNC(=O)N1CCCO[C@@H](C[NH3+])C1)C(C)C	ZINC000417072859	447734194	/nfs/dbraw/zinc/73/41/94/447734194.db2.gz	XNTMORFCBOTQLR-DLBZAZTESA-N	1	3	338.496	1.444	20	30		EDEDHO
C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N(C)Cc1ccc(C#N)cc1	ZINC000596695822	449611548	/nfs/dbraw/zinc/61/15/48/449611548.db2.gz	CODJLLXASHRERW-INIZCTEOSA-N	1	3	345.491	1.972	20	30		EDEDHO
C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N(C)Cc1ccc(C#N)cc1	ZINC000596695822	449611556	/nfs/dbraw/zinc/61/15/56/449611556.db2.gz	CODJLLXASHRERW-INIZCTEOSA-N	1	3	345.491	1.972	20	30		EDEDHO
C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCC#C[C@H]1CCCCO1	ZINC000895665807	591246645	/nfs/dbraw/zinc/24/66/45/591246645.db2.gz	GWBSFBILANVITF-DLBZAZTESA-N	1	3	338.496	1.130	20	30		EDEDHO
C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCC#C[C@H]1CCCCO1	ZINC000895665807	591246646	/nfs/dbraw/zinc/24/66/46/591246646.db2.gz	GWBSFBILANVITF-DLBZAZTESA-N	1	3	338.496	1.130	20	30		EDEDHO
N#Cc1ccc(-c2cc(N3CCN(C[C@H]4C[C@@H]([NH3+])C4)CC3)n[nH]2)cc1	ZINC000904376569	592245401	/nfs/dbraw/zinc/24/54/01/592245401.db2.gz	BXRZMTZVRFIYBZ-WOVMCDHWSA-N	1	3	336.443	1.808	20	30		EDEDHO
CC(C)C[NH+]=C(NC[C@H](C)CN1CCN(C)CC1)NC(C)(C)C	ZINC000912509637	593101458	/nfs/dbraw/zinc/10/14/58/593101458.db2.gz	MUUHEZXOXABZKP-INIZCTEOSA-N	1	3	325.545	1.860	20	30		EDEDHO
C#CCN(C)CCCNC(=O)[C@H](C[NH+]1CCCC1)c1ccccc1	ZINC000854663694	596154013	/nfs/dbraw/zinc/15/40/13/596154013.db2.gz	DAJLXSYKXWCBFJ-LJQANCHMSA-N	1	3	327.472	1.937	20	30		EDEDHO
C#CCN1CCC(C(=O)Nc2cnn(C3CC[NH+](C)CC3)c2)CC1	ZINC000870532889	596273572	/nfs/dbraw/zinc/27/35/72/596273572.db2.gz	GGHXHTNFFYBAPS-UHFFFAOYSA-N	1	3	329.448	1.434	20	30		EDEDHO
C=C(Cl)C[C@H]([NH3+])C(=O)NCC1(N2CCSCC2)CCCC1	ZINC000876728927	597309532	/nfs/dbraw/zinc/30/95/32/597309532.db2.gz	ZKMGFMSFSISCPF-ZDUSSCGKSA-N	1	3	331.913	1.934	20	30		EDEDHO
C=C(Cl)C[C@H](N)C(=O)N[C@@H]1CC[N@@H+](CCCOCC)C[C@@H]1C	ZINC000876765497	597329360	/nfs/dbraw/zinc/32/93/60/597329360.db2.gz	SGXUMNSGOULAAZ-AEGPPILISA-N	1	3	331.888	1.710	20	30		EDEDHO
C=C(Cl)C[C@H](N)C(=O)N[C@@H]1CC[N@H+](CCCOCC)C[C@@H]1C	ZINC000876765497	597329363	/nfs/dbraw/zinc/32/93/63/597329363.db2.gz	SGXUMNSGOULAAZ-AEGPPILISA-N	1	3	331.888	1.710	20	30		EDEDHO
C[NH+]1CCC2(CCN(C(=O)C3CC4(C3)CNC[C@H]4C#N)CC2)CC1	ZINC000884460733	598111074	/nfs/dbraw/zinc/11/10/74/598111074.db2.gz	JRPIEUXJYCEOGH-KOHRHEQBSA-N	1	3	330.476	1.460	20	30		EDEDHO
C#CCN(C(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1)C1CCN(C)CC1	ZINC000916865396	696800877	/nfs/dbraw/zinc/80/08/77/696800877.db2.gz	OTYAJICTCAESMN-KRWDZBQOSA-N	1	3	334.508	1.846	20	30		EDEDHO
C#CCN(C(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1)C1CCN(C)CC1	ZINC000916865396	696800880	/nfs/dbraw/zinc/80/08/80/696800880.db2.gz	OTYAJICTCAESMN-KRWDZBQOSA-N	1	3	334.508	1.846	20	30		EDEDHO
C[N@@H+]1CC[C@H](CC(=O)N2CCC(NCc3ccccc3C#N)CC2)C1	ZINC000997187977	703477615	/nfs/dbraw/zinc/47/76/15/703477615.db2.gz	YFSRPIKYOLIWDI-MRXNPFEDSA-N	1	3	340.471	1.981	20	30		EDEDHO
C[N@H+]1CC[C@H](CC(=O)N2CCC(NCc3ccccc3C#N)CC2)C1	ZINC000997187977	703477617	/nfs/dbraw/zinc/47/76/17/703477617.db2.gz	YFSRPIKYOLIWDI-MRXNPFEDSA-N	1	3	340.471	1.981	20	30		EDEDHO
C[N@H+](CCO)C1CCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CC1	ZINC000350725277	250060370	/nfs/dbraw/zinc/06/03/70/250060370.db2.gz	VHXHEUAWIHMTKA-KRWDZBQOSA-N	1	3	340.427	1.156	20	30		EDEDHO
C[N@@H+](CCO)C1CCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CC1	ZINC000350725277	250060371	/nfs/dbraw/zinc/06/03/71/250060371.db2.gz	VHXHEUAWIHMTKA-KRWDZBQOSA-N	1	3	340.427	1.156	20	30		EDEDHO
C=CCN1CCC(NC(=O)N2CCC(OCC[NH+](C)C)CC2)CC1	ZINC000359277698	250151081	/nfs/dbraw/zinc/15/10/81/250151081.db2.gz	CYFSGCBUDLZOSR-UHFFFAOYSA-N	1	3	338.496	1.389	20	30		EDEDHO
N#Cc1ccc(CC(C#N)C(=O)NCC2CC[NH+](CCO)CC2)cc1	ZINC000472320952	255018707	/nfs/dbraw/zinc/01/87/07/255018707.db2.gz	AYBBUSXHPYULKP-SFHVURJKSA-N	1	3	340.427	1.061	20	30		EDEDHO
C#CCNC(=O)CC[NH2+]CC1CCN(Cc2ccc(OC)cc2)CC1	ZINC000491733080	255146505	/nfs/dbraw/zinc/14/65/05/255146505.db2.gz	HYVJBMSUEKVZHM-UHFFFAOYSA-N	1	3	343.471	1.636	20	30		EDEDHO
N#Cc1ccc(CN2CCC([NH2+]C[C@@H]3CNCCCO3)CC2)cc1	ZINC000519819183	270015536	/nfs/dbraw/zinc/01/55/36/270015536.db2.gz	KQPVORDDYVODRY-IBGZPJMESA-N	1	3	328.460	1.491	20	30		EDEDHO
C[C@H](CNC(=[NH2+])N[C@H]1CCOc2ccccc21)CN1CCN(C)CC1	ZINC000083032502	441347745	/nfs/dbraw/zinc/34/77/45/441347745.db2.gz	MGQMURQSWQMSEI-WBVHZDCISA-N	1	3	345.491	1.298	20	30		EDEDHO
COC[C@@H](C)NC(=[NH2+])NCCCCN1CCN(c2ccccc2)CC1	ZINC000264116585	443249470	/nfs/dbraw/zinc/24/94/70/443249470.db2.gz	SYBHYFHSZDKKRA-QGZVFWFLSA-N	1	3	347.507	1.528	20	30		EDEDHO
CCN1CCC[C@H]1CNC(=[NH2+])NCc1nc(-c2cccc(F)c2)no1	ZINC000278607912	443377249	/nfs/dbraw/zinc/37/72/49/443377249.db2.gz	VVIYDOIWWNHHIU-AWEZNQCLSA-N	1	3	346.410	1.764	20	30		EDEDHO
C#CC[NH+]1CCC(C(=O)NC[C@H](c2cccc(OC)c2)N(C)C)CC1	ZINC000299150777	443968535	/nfs/dbraw/zinc/96/85/35/443968535.db2.gz	MAQXDQRUXBHLIZ-LJQANCHMSA-N	1	3	343.471	1.759	20	30		EDEDHO
C#CCN(C)CCCNC(=O)NCc1ccc(OCC[NH+](C)C)cc1	ZINC000296453665	444230743	/nfs/dbraw/zinc/23/07/43/444230743.db2.gz	VRFVDGQULODNHO-UHFFFAOYSA-N	1	3	346.475	1.381	20	30		EDEDHO
CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CCCN(c2ncccn2)C1	ZINC000305743421	444277303	/nfs/dbraw/zinc/27/73/03/444277303.db2.gz	JTXYVNXHNDAIBL-HZPDHXFCSA-N	1	3	345.495	1.082	20	30		EDEDHO
CC(C)[NH+]1CCC(O)(CNC(=O)N[C@H]2CCN(C)[C@H](C)C2)CC1	ZINC000329915448	444767220	/nfs/dbraw/zinc/76/72/20/444767220.db2.gz	DAQKWFBAMBEMOR-CABCVRRESA-N	1	3	326.485	1.208	20	30		EDEDHO
CC(C)CN1CCN(CC#CCN2CC[NH+](CC(C)C)CC2)CC1	ZINC000341833761	445024444	/nfs/dbraw/zinc/02/44/44/445024444.db2.gz	QMNCBAUHPAZROP-UHFFFAOYSA-N	1	3	334.552	1.537	20	30		EDEDHO
C[C@H]1C[N@H+](C)C[C@H]1C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1	ZINC000362549523	445434066	/nfs/dbraw/zinc/43/40/66/445434066.db2.gz	BZIXIYKIXIUHLK-MAUKXSAKSA-N	1	3	328.460	1.646	20	30		EDEDHO
C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1	ZINC000362549523	445434070	/nfs/dbraw/zinc/43/40/70/445434070.db2.gz	BZIXIYKIXIUHLK-MAUKXSAKSA-N	1	3	328.460	1.646	20	30		EDEDHO
C#CCN(C)CCCNC(=O)NCC1CC[NH+](CCC(C)C)CC1	ZINC000491494149	448043746	/nfs/dbraw/zinc/04/37/46/448043746.db2.gz	AWJZDSMKULGCIT-UHFFFAOYSA-N	1	3	336.524	1.999	20	30		EDEDHO
CN(CCC#N)C[C@H](O)CNCc1ccccc1C[NH+]1CCCC1	ZINC000583688593	448459760	/nfs/dbraw/zinc/45/97/60/448459760.db2.gz	QUDPRXMAWBHPEA-LJQANCHMSA-N	1	3	330.476	1.578	20	30		EDEDHO
CC[NH+](CC)CC[C@@H](CO)NC(=O)C(C#N)Cc1ccc(C#N)cc1	ZINC000567365719	448678585	/nfs/dbraw/zinc/67/85/85/448678585.db2.gz	KAFNXXLHBNBATN-ROUUACIJSA-N	1	3	342.443	1.450	20	30		EDEDHO
N#CCCCC[C@H](N)C(=O)N1CCC(OCC[NH+]2CCCC2)CC1	ZINC000594439052	449518374	/nfs/dbraw/zinc/51/83/74/449518374.db2.gz	NGCZAWKVQIMZMD-KRWDZBQOSA-N	1	3	336.480	1.501	20	30		EDEDHO
C[NH+]1CCC(N2CCC(NC(=O)N3CC[C@](C)(C#N)C3)CC2)CC1	ZINC000595489475	450180712	/nfs/dbraw/zinc/18/07/12/450180712.db2.gz	SNHLVGSQTWPIGE-GOSISDBHSA-N	1	3	333.480	1.490	20	30		EDEDHO
CN1CC[C@@]2(C1)CCC[N@H+](C[C@@H](O)COc1ccc(CC#N)cc1)C2	ZINC000595508164	450195829	/nfs/dbraw/zinc/19/58/29/450195829.db2.gz	UQGDVEWRFFUQGM-UYAOXDASSA-N	1	3	343.471	1.910	20	30		EDEDHO
CN1CC[C@@]2(C1)CCC[N@@H+](C[C@@H](O)COc1ccc(CC#N)cc1)C2	ZINC000595508164	450195832	/nfs/dbraw/zinc/19/58/32/450195832.db2.gz	UQGDVEWRFFUQGM-UYAOXDASSA-N	1	3	343.471	1.910	20	30		EDEDHO
C=C(CC[NH+](C)C)C(=O)N1CCC(N2CCN(C(C)C)CC2)CC1	ZINC000901242184	592301504	/nfs/dbraw/zinc/30/15/04/592301504.db2.gz	XBBAOXCDXKUFQI-UHFFFAOYSA-N	1	3	336.524	1.511	20	30		EDEDHO
CN(CCC#N)C[C@H](O)C[NH2+]C1CCN(CC2CCCCC2)CC1	ZINC000818984128	593732160	/nfs/dbraw/zinc/73/21/60/593732160.db2.gz	XSIDFFKFZUVDTD-LJQANCHMSA-N	1	3	336.524	1.827	20	30		EDEDHO
CN(C(=O)C#CC1CC[NH2+]CC1)[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852883384	595596721	/nfs/dbraw/zinc/59/67/21/595596721.db2.gz	JYVXFOODZQISOX-LJQANCHMSA-N	1	3	325.456	1.722	20	30		EDEDHO
CN(Cc1cc(C#N)cc(C[N@H+](C)C2(CO)CC2)c1)C1(CO)CC1	ZINC000878610484	597653894	/nfs/dbraw/zinc/65/38/94/597653894.db2.gz	XHYDZMUHCKXHMQ-UHFFFAOYSA-N	1	3	329.444	1.472	20	30		EDEDHO
CN(Cc1cc(C#N)cc(C[N@@H+](C)C2(CO)CC2)c1)C1(CO)CC1	ZINC000878610484	597653897	/nfs/dbraw/zinc/65/38/97/597653897.db2.gz	XHYDZMUHCKXHMQ-UHFFFAOYSA-N	1	3	329.444	1.472	20	30		EDEDHO
C#CCN1CCC(C(=O)N2CCN(c3cc[nH+]cc3)[C@H](C)C2)CC1	ZINC000881636172	597667896	/nfs/dbraw/zinc/66/78/96/597667896.db2.gz	PTKPCARRWFWGPZ-MRXNPFEDSA-N	1	3	326.444	1.464	20	30		EDEDHO
N#C[C@@H]1CNCC12CC(C(=O)NC1CC[NH+](C3CCCC3)CC1)C2	ZINC000884186922	598019066	/nfs/dbraw/zinc/01/90/66/598019066.db2.gz	OJUJPVSHXALROG-XAUUPUKJSA-N	1	3	330.476	1.649	20	30		EDEDHO
C#CCN1CCC(C(=O)NCC2C[NH+](CC3CC4(CCC4)C3)C2)CC1	ZINC001032207234	702117353	/nfs/dbraw/zinc/11/73/53/702117353.db2.gz	IOOXBRPHUXFHPX-UHFFFAOYSA-N	1	3	343.515	1.960	20	30		EDEDHO
C#CCN1CC[NH+](C2CCC(NC(=O)CN3CCC[C@H]3C)CC2)CC1	ZINC000996789006	703081488	/nfs/dbraw/zinc/08/14/88/703081488.db2.gz	JCPIGAZCJNCNJL-LMDPOFIKSA-N	1	3	346.519	1.149	20	30		EDEDHO
C#CCN1CCC(C(=O)N2CCC([NH2+]Cc3cncs3)CC2)CC1	ZINC000997365015	703598176	/nfs/dbraw/zinc/59/81/76/703598176.db2.gz	PKAIYEPDWKULFT-UHFFFAOYSA-N	1	3	346.500	1.569	20	30		EDEDHO
C=CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CN4CCC[C@H]4CO3)CC[C@@H]2C1	ZINC000946597683	704292517	/nfs/dbraw/zinc/29/25/17/704292517.db2.gz	GIRMKLKTDZJNNX-MHORFTMASA-N	1	3	333.476	1.206	20	30		EDEDHO
C=CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CN4CCC[C@H]4CO3)CC[C@@H]2C1	ZINC000946597683	704292521	/nfs/dbraw/zinc/29/25/21/704292521.db2.gz	GIRMKLKTDZJNNX-MHORFTMASA-N	1	3	333.476	1.206	20	30		EDEDHO
C#CC[N@H+]1CCC[C@@H](N(CC)C(=O)[C@H]2CN3CC4CC3(C4)CO2)CC1	ZINC000998064743	705274740	/nfs/dbraw/zinc/27/47/40/705274740.db2.gz	AZTYFJUSISXZCX-SFANZJOMSA-N	1	3	345.487	1.186	20	30		EDEDHO
C#CC[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@H]2CN3CC4CC3(C4)CO2)CC1	ZINC000998064743	705274744	/nfs/dbraw/zinc/27/47/44/705274744.db2.gz	AZTYFJUSISXZCX-SFANZJOMSA-N	1	3	345.487	1.186	20	30		EDEDHO
C=C(Br)CNC1CC(N(C)C(=O)C[N@H+]2CCC[C@@H]2C)C1	ZINC000999405779	706914998	/nfs/dbraw/zinc/91/49/98/706914998.db2.gz	IHWWNMCANMKANQ-HSBZDZAISA-N	1	3	344.297	1.958	20	30		EDEDHO
C=C(Br)CNC1CC(N(C)C(=O)C[N@@H+]2CCC[C@@H]2C)C1	ZINC000999405779	706915001	/nfs/dbraw/zinc/91/50/01/706915001.db2.gz	IHWWNMCANMKANQ-HSBZDZAISA-N	1	3	344.297	1.958	20	30		EDEDHO
C=C(C)C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CN3CC4CC3(C4)CO2)CC1	ZINC001034693817	710786193	/nfs/dbraw/zinc/78/61/93/710786193.db2.gz	HUKIXRPIMCTVIO-JBWWOZQKSA-N	1	3	333.476	1.443	20	30		EDEDHO
CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCC[C@H]1C[NH3+]	ZINC000418467205	269684869	/nfs/dbraw/zinc/68/48/69/269684869.db2.gz	OFXODQQWQJYQTC-ZWKOTPCHSA-N	1	3	343.475	1.759	20	30		EDEDHO
C#CCNC(=O)CC[NH2+]Cc1ccccc1CN1CCN(CC)CC1	ZINC000491386558	255124922	/nfs/dbraw/zinc/12/49/22/255124922.db2.gz	VIOPWWDXHGGOIM-UHFFFAOYSA-N	1	3	342.487	1.053	20	30		EDEDHO
CCO[C@H](CC[NH+](C)C)CNC(=O)C(C#N)Cc1ccc(C#N)cc1	ZINC000279394030	266300567	/nfs/dbraw/zinc/30/05/67/266300567.db2.gz	AMLILRZTCKBCTG-QZTJIDSGSA-N	1	3	342.443	1.714	20	30		EDEDHO
C[C@H](C(=O)Nc1cccc(C#N)c1)N(C)CCC[NH+]1CCN(C)CC1	ZINC000174718343	441956758	/nfs/dbraw/zinc/95/67/58/441956758.db2.gz	WSHLZTCNUCXVMF-MRXNPFEDSA-N	1	3	343.475	1.455	20	30		EDEDHO
CCN1CCC[C@H]1CNC(=[NH2+])NCc1ccc(N2CCCC2=O)cc1	ZINC000264054181	443246328	/nfs/dbraw/zinc/24/63/28/443246328.db2.gz	ABYZWHNVNNMKCR-KRWDZBQOSA-N	1	3	343.475	1.702	20	30		EDEDHO
COCCNC(=[NH2+])NCC1CCN(Cc2ccc(OC)cc2)CC1	ZINC000264122899	443250766	/nfs/dbraw/zinc/25/07/66/443250766.db2.gz	VNZUPGGEFAPYHO-UHFFFAOYSA-N	1	3	334.464	1.458	20	30		EDEDHO
CCN1CCC[C@H]1CNC(=[NH2+])NCCc1ccn(-c2ccccc2)n1	ZINC000264318437	443260158	/nfs/dbraw/zinc/26/01/58/443260158.db2.gz	WZNVSFNJZBGQQY-SFHVURJKSA-N	1	3	340.475	1.803	20	30		EDEDHO
C=C(C)CNC(=[NH2+])NCc1cccc(CN2CCC[C@H](C(N)=O)C2)c1	ZINC000267406131	443446524	/nfs/dbraw/zinc/44/65/24/443446524.db2.gz	HAOGIYMFILASOZ-KRWDZBQOSA-N	1	3	343.475	1.364	20	30		EDEDHO
C=CCN(CC=C)[C@H](CNC(=O)c1cc([C@@H]2CC[NH2+]C2)n[nH]1)C(C)C	ZINC000279065758	443507537	/nfs/dbraw/zinc/50/75/37/443507537.db2.gz	SVJYMARQBJCGBU-CRAIPNDOSA-N	1	3	345.491	1.915	20	30		EDEDHO
C#CCN(C)CCCNC(=O)C1CC[NH+](Cc2ccccc2)CC1	ZINC000293905923	444094176	/nfs/dbraw/zinc/09/41/76/444094176.db2.gz	FSECBKYOFSGUSE-UHFFFAOYSA-N	1	3	327.472	1.970	20	30		EDEDHO
COc1cc(CN[C@@H](CC(C)C)C(=O)NCC[NH+](C)C)ccc1C#N	ZINC000440635545	446849134	/nfs/dbraw/zinc/84/91/34/446849134.db2.gz	IEPICNDPZIHDEI-KRWDZBQOSA-N	1	3	346.475	1.749	20	30		EDEDHO
C=CC[NH+]1CCC(NC(=O)[C@@H](N)Cc2c[nH]c3ccccc23)CC1	ZINC000438885280	446803613	/nfs/dbraw/zinc/80/36/13/446803613.db2.gz	UDIBQSMSQRNKOY-KRWDZBQOSA-N	1	3	326.444	1.804	20	30		EDEDHO
C[C@H](C[NH2+]C[C@H](O)COc1ccc(CC#N)cc1)CN1CCCC1	ZINC000571315789	448135572	/nfs/dbraw/zinc/13/55/72/448135572.db2.gz	NSEJOKRPGLWKSO-AEFFLSMTSA-N	1	3	331.460	1.814	20	30		EDEDHO
C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)[C@@H](N)CCCC#N	ZINC000602579739	449685275	/nfs/dbraw/zinc/68/52/75/449685275.db2.gz	BJUQIQFPVGSHJC-NXHRZFHOSA-N	1	3	328.460	1.892	20	30		EDEDHO
C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)[C@@H](N)CCCC#N	ZINC000602579739	449685280	/nfs/dbraw/zinc/68/52/80/449685280.db2.gz	BJUQIQFPVGSHJC-NXHRZFHOSA-N	1	3	328.460	1.892	20	30		EDEDHO
CCN1CCC[C@@H]1CNC(=[NH2+])NCc1ccccc1Cn1cncn1	ZINC000264071745	535550265	/nfs/dbraw/zinc/55/02/65/535550265.db2.gz	DKTWHHJFEQYWMJ-QGZVFWFLSA-N	1	3	341.463	1.215	20	30		EDEDHO
C#CCCN1CCC(NC(=O)[C@H]([NH2+]C2CCOCC2)C(C)C)CC1	ZINC000743490519	579481734	/nfs/dbraw/zinc/48/17/34/579481734.db2.gz	QUJXQGSSBFFHEC-GOSISDBHSA-N	1	3	335.492	1.384	20	30		EDEDHO
C=C(C[NH+](C)C)C(=O)NCc1ccc(CN2CCN(CC)CC2)cc1	ZINC000764292151	580117240	/nfs/dbraw/zinc/11/72/40/580117240.db2.gz	JMSCOSMYMXLQAB-UHFFFAOYSA-N	1	3	344.503	1.558	20	30		EDEDHO
C=C(C)CN1CCC(NC(=O)NC[C@H]2C[NH2+]CCC2(F)F)CC1	ZINC000891520182	591105760	/nfs/dbraw/zinc/10/57/60/591105760.db2.gz	FTJMFBNGIBPNRE-CYBMUJFWSA-N	1	3	330.423	1.571	20	30		EDEDHO
COc1ccc(C#N)cc1CONC(=N)[C@H]1C[N@@H+]2CCC[C@H]2CO1	ZINC000902807723	592063594	/nfs/dbraw/zinc/06/35/94/592063594.db2.gz	OFSHARMHHGLRGE-GOEBONIOSA-N	1	3	330.388	1.429	20	30		EDEDHO
COc1ccc(C#N)cc1CONC(=N)[C@H]1C[N@H+]2CCC[C@H]2CO1	ZINC000902807723	592063597	/nfs/dbraw/zinc/06/35/97/592063597.db2.gz	OFSHARMHHGLRGE-GOEBONIOSA-N	1	3	330.388	1.429	20	30		EDEDHO
Cc1cc(N2CCN(C)CC2)ccc1NC(=O)NCC#CC[NH+](C)C	ZINC000905151308	592440409	/nfs/dbraw/zinc/44/04/09/592440409.db2.gz	LAXRJTZZBFYEQN-UHFFFAOYSA-N	1	3	343.475	1.433	20	30		EDEDHO
CCOCCC[NH+]=C(NC[C@@H]1CN2CCC[C@H]2CO1)NC(C)(C)C	ZINC000912499615	593100700	/nfs/dbraw/zinc/10/07/00/593100700.db2.gz	VOTSDRSLYCAZPI-JKSUJKDBSA-N	1	3	340.512	1.610	20	30		EDEDHO
C#CCN(C)CCCNC(=O)N(C)Cc1ccc(C[NH+](C)C)cc1	ZINC000838622863	593197269	/nfs/dbraw/zinc/19/72/69/593197269.db2.gz	RGAKSSVSFRENQE-UHFFFAOYSA-N	1	3	330.476	1.845	20	30		EDEDHO
C#CCC[NH+]1CCC(NC(=O)C2C[C@@H](c3ccccc3)OC2=O)CC1	ZINC000809688377	593354624	/nfs/dbraw/zinc/35/46/24/593354624.db2.gz	JJANCLSNAJLNJB-MSOLQXFVSA-N	1	3	340.423	1.895	20	30		EDEDHO
CCN(C)Cc1cc(O[C@H]2CC[N@H+](CCO[C@H](C)C#N)C2)ccn1	ZINC000856584493	596024014	/nfs/dbraw/zinc/02/40/14/596024014.db2.gz	KYWMKXZLUCWXCC-QAPCUYQASA-N	1	3	332.448	1.915	20	30		EDEDHO
CCN(C)Cc1cc(O[C@H]2CC[N@@H+](CCO[C@H](C)C#N)C2)ccn1	ZINC000856584493	596024017	/nfs/dbraw/zinc/02/40/17/596024017.db2.gz	KYWMKXZLUCWXCC-QAPCUYQASA-N	1	3	332.448	1.915	20	30		EDEDHO
N#C[C@@H]1C[NH2+]CC12CC(C(=O)N1CCN(C3CCCCC3)CC1)C2	ZINC000884305735	598059989	/nfs/dbraw/zinc/05/99/89/598059989.db2.gz	GHJIZYHQCPTKCH-KOHRHEQBSA-N	1	3	330.476	1.603	20	30		EDEDHO
C#CCN1CC[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)[C@H](C)C1	ZINC000942530036	703031115	/nfs/dbraw/zinc/03/11/15/703031115.db2.gz	OKFJWBQMVLXLET-VQIMIIECSA-N	1	3	327.472	1.864	20	30		EDEDHO
C#CCN1CC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)[C@H](C)C1	ZINC000942718217	703232156	/nfs/dbraw/zinc/23/21/56/703232156.db2.gz	DBQSUIICOPHZBN-APWZRJJASA-N	1	3	327.472	1.864	20	30		EDEDHO
CN(C(=O)[C@H]1CCCN1C)C1CC([NH2+]Cc2ccc(C#N)c(F)c2)C1	ZINC000998548311	705984112	/nfs/dbraw/zinc/98/41/12/705984112.db2.gz	GDSVJIKGWGFGIY-LEOMRAHMSA-N	1	3	344.434	1.871	20	30		EDEDHO
CN1CCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]Cc2ccc(C#N)s2)C1	ZINC000998725170	706160035	/nfs/dbraw/zinc/16/00/35/706160035.db2.gz	VMQAWZGSGXBKTF-XJKSGUPXSA-N	1	3	332.473	1.795	20	30		EDEDHO
N#CCCC[C@H](N)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1	ZINC000424149200	252145448	/nfs/dbraw/zinc/14/54/48/252145448.db2.gz	BMZRJDXJMJEQNB-UHOFOFEASA-N	1	3	336.386	1.548	20	30		EDEDHO
CN1CC[NH+](C[C@@H]2CCCN(CCOc3ccccc3C#N)C2)CC1	ZINC000367172761	154029173	/nfs/dbraw/zinc/02/91/73/154029173.db2.gz	ZMVWCCKMMOVWDJ-GOSISDBHSA-N	1	3	342.487	1.896	20	30		EDEDHO
CN1CCN(C[C@@H]2CCC[N@H+](CCOc3ccccc3C#N)C2)CC1	ZINC000367172761	154029174	/nfs/dbraw/zinc/02/91/74/154029174.db2.gz	ZMVWCCKMMOVWDJ-GOSISDBHSA-N	1	3	342.487	1.896	20	30		EDEDHO
CN1CCN(C[C@@H]2CCC[N@@H+](CCOc3ccccc3C#N)C2)CC1	ZINC000367172761	154029179	/nfs/dbraw/zinc/02/91/79/154029179.db2.gz	ZMVWCCKMMOVWDJ-GOSISDBHSA-N	1	3	342.487	1.896	20	30		EDEDHO
CCN1CCC[C@H]1CNC(=[NH2+])NCc1ccc(C)cc1OCCOC	ZINC000267936244	442792380	/nfs/dbraw/zinc/79/23/80/442792380.db2.gz	RCJKTKDHFVHVBC-KRWDZBQOSA-N	1	3	348.491	1.909	20	30		EDEDHO
C/[NH+]=C(/NCc1cn2ccsc2n1)N[C@H]1CN(C(C)C)C[C@H]1C	ZINC000262002209	443179023	/nfs/dbraw/zinc/17/90/23/443179023.db2.gz	UTAOQRIVNRHYLJ-OCCSQVGLSA-N	1	3	334.493	1.790	20	30		EDEDHO
C=CCN(CC=C)[C@@H](CNC(=O)NC[C@](C)(O)C[NH+](C)C)C(C)C	ZINC000269935423	443456197	/nfs/dbraw/zinc/45/61/97/443456197.db2.gz	VGFKEDSOHZJZNQ-WMZOPIPTSA-N	1	3	340.512	1.297	20	30		EDEDHO
C#CC[N@H+](C)CCCNC(=O)N1CCCN(Cc2ccccc2)CC1	ZINC000296899038	444261413	/nfs/dbraw/zinc/26/14/13/444261413.db2.gz	MXQGLWUFTDLCNS-UHFFFAOYSA-N	1	3	342.487	1.859	20	30		EDEDHO
C#CC[N@@H+](C)CCCNC(=O)N1CCCN(Cc2ccccc2)CC1	ZINC000296899038	444261416	/nfs/dbraw/zinc/26/14/16/444261416.db2.gz	MXQGLWUFTDLCNS-UHFFFAOYSA-N	1	3	342.487	1.859	20	30		EDEDHO
CCN1CCC[C@@H](NC(=O)N2CCC([N@H+](C)CCCO)CC2)C1	ZINC000330840386	445161788	/nfs/dbraw/zinc/16/17/88/445161788.db2.gz	ADMUIDSKIJRQAI-OAHLLOKOSA-N	1	3	326.485	1.163	20	30		EDEDHO
CCN1CCC[C@@H](NC(=O)N2CCC([N@@H+](C)CCCO)CC2)C1	ZINC000330840386	445161792	/nfs/dbraw/zinc/16/17/92/445161792.db2.gz	ADMUIDSKIJRQAI-OAHLLOKOSA-N	1	3	326.485	1.163	20	30		EDEDHO
C=C(C)C[NH+]1CCC(NC(=O)NC[C@H]2CN3CCC[C@@H]3CO2)CC1	ZINC000377564906	447209594	/nfs/dbraw/zinc/20/95/94/447209594.db2.gz	IZYMGOGZHGQZES-SJORKVTESA-N	1	3	336.480	1.189	20	30		EDEDHO
C#CCN1CCC(C(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)CC1	ZINC000490873792	447903234	/nfs/dbraw/zinc/90/32/34/447903234.db2.gz	KFLOTGMFVRSMEU-IBGZPJMESA-N	1	3	327.472	1.621	20	30		EDEDHO
C#CCNC(=O)CC[NH+]1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1	ZINC000491153804	447938835	/nfs/dbraw/zinc/93/88/35/447938835.db2.gz	DKGDJVWCFQGFOQ-CALCHBBNSA-N	1	3	335.492	1.337	20	30		EDEDHO
CN(C)CCN(CC[NH+](C)C)C(=O)c1ccc(C2(C#N)CC2)cc1	ZINC000539722393	448617414	/nfs/dbraw/zinc/61/74/14/448617414.db2.gz	IUEXEQNNQBNMQB-UHFFFAOYSA-N	1	3	328.460	1.807	20	30		EDEDHO
Cc1cc(NCC[N@H+](C)C2CC2)c(C#N)c(NCCN(C)C2CC2)n1	ZINC000596087168	449355666	/nfs/dbraw/zinc/35/56/66/449355666.db2.gz	GSVPNXIPKITMGL-UHFFFAOYSA-N	1	3	342.491	2.274	20	30		EDEDHO
Cc1cc(NCC[N@@H+](C)C2CC2)c(C#N)c(NCCN(C)C2CC2)n1	ZINC000596087168	449355672	/nfs/dbraw/zinc/35/56/72/449355672.db2.gz	GSVPNXIPKITMGL-UHFFFAOYSA-N	1	3	342.491	2.274	20	30		EDEDHO
CN1CCN(CC2(C)CC[NH+](C[C@H](O)CC(C)(C)C#N)CC2)CC1	ZINC000598604169	449486876	/nfs/dbraw/zinc/48/68/76/449486876.db2.gz	JYIHLJXGVBGFPS-QGZVFWFLSA-N	1	3	336.524	1.637	20	30		EDEDHO
CC[NH+]=C(NC[C@H](C)N1CCC[C@@H](C)C1)N1CCN(C(C)=O)CC1	ZINC000263229903	535264657	/nfs/dbraw/zinc/26/46/57/535264657.db2.gz	HUFSURXTVAUTLH-CVEARBPZSA-N	1	3	337.512	1.236	20	30		EDEDHO
CCN1CCC[C@H]1CNC(=[NH2+])NCc1ccc(OC)c([N+](=O)[O-])c1	ZINC000264084135	535598029	/nfs/dbraw/zinc/59/80/29/535598029.db2.gz	INDFAOMKKAAZGH-ZDUSSCGKSA-N	1	3	335.408	1.492	20	30		EDEDHO
[NH2+]=C(NCCCN1CCC(O)CC1)Nc1ccc2c(c1)OCCCO2	ZINC000104168458	590800798	/nfs/dbraw/zinc/80/07/98/590800798.db2.gz	JELZPBXJNIFLGI-UHFFFAOYSA-N	1	3	348.447	1.421	20	30		EDEDHO
C=C(CC[NH+](C)C)C(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1CO	ZINC000901238876	592299702	/nfs/dbraw/zinc/29/97/02/592299702.db2.gz	GEPLHRSJIKQHKO-RBUKOAKNSA-N	1	3	345.487	1.494	20	30		EDEDHO
CN(Cc1ccccc1)[C@H]1CCN(C(=O)C#CC2CC[NH2+]CC2)C1	ZINC000852869336	595589499	/nfs/dbraw/zinc/58/94/99/595589499.db2.gz	CPBURWZVKUPJDM-IBGZPJMESA-N	1	3	325.456	1.722	20	30		EDEDHO
C#CCN(C)CCCNC(=O)[C@@H](C[NH+]1CCCC1)c1ccccc1	ZINC000854663693	596153676	/nfs/dbraw/zinc/15/36/76/596153676.db2.gz	DAJLXSYKXWCBFJ-IBGZPJMESA-N	1	3	327.472	1.937	20	30		EDEDHO
C#CCN1CCC(C(=O)N2C[C@@H](C)[C@@H]([NH2+]Cc3cncs3)C2)CC1	ZINC000939812231	699960065	/nfs/dbraw/zinc/96/00/65/699960065.db2.gz	VOIBAVUPEAFCMF-PBHICJAKSA-N	1	3	346.500	1.425	20	30		EDEDHO
C=CC[N@H+]1CCC[C@@H](N(CC)C(=O)[C@H]2CN3CC4CC3(C4)CO2)CC1	ZINC000998067927	705281244	/nfs/dbraw/zinc/28/12/44/705281244.db2.gz	WWFAZWWUZRVEGF-SFANZJOMSA-N	1	3	347.503	1.739	20	30		EDEDHO
C=CC[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@H]2CN3CC4CC3(C4)CO2)CC1	ZINC000998067927	705281247	/nfs/dbraw/zinc/28/12/47/705281247.db2.gz	WWFAZWWUZRVEGF-SFANZJOMSA-N	1	3	347.503	1.739	20	30		EDEDHO
C=CC[N@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2CN3CC4CC3(C4)CO2)CC1	ZINC000998067926	705281633	/nfs/dbraw/zinc/28/16/33/705281633.db2.gz	WWFAZWWUZRVEGF-NRGCRIOASA-N	1	3	347.503	1.739	20	30		EDEDHO
C=CC[N@@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2CN3CC4CC3(C4)CO2)CC1	ZINC000998067926	705281637	/nfs/dbraw/zinc/28/16/37/705281637.db2.gz	WWFAZWWUZRVEGF-NRGCRIOASA-N	1	3	347.503	1.739	20	30		EDEDHO
C#CCN1CCC(C(=O)NCC2CC[NH+](CCC3CC3)CC2)CC1	ZINC001002146047	708660112	/nfs/dbraw/zinc/66/01/12/708660112.db2.gz	WFAWJULURJBASC-UHFFFAOYSA-N	1	3	331.504	1.960	20	30		EDEDHO
COc1ccc([C@@H]2CC[NH2+]C[C@H]2NC(=O)[C@@H](N)CCCC#N)cc1	ZINC000424154637	252146679	/nfs/dbraw/zinc/14/66/79/252146679.db2.gz	MSHOMHAMWWZWBY-YESZJQIVSA-N	1	3	330.432	1.278	20	30		EDEDHO
C=C(C)CN1CCC(NC(=O)C(=O)Nc2cc(C)cc(C[NH3+])c2)CC1	ZINC000424444998	252234004	/nfs/dbraw/zinc/23/40/04/252234004.db2.gz	DYQHZBRKHAKBTP-UHFFFAOYSA-N	1	3	344.459	1.549	20	30		EDEDHO
CN1CCC(C[NH2+]Cc2cccc(C#N)c2)(N2CCOCC2)CC1	ZINC000520760458	267331998	/nfs/dbraw/zinc/33/19/98/267331998.db2.gz	NHKYXRVUKMPTSU-UHFFFAOYSA-N	1	3	328.460	1.444	20	30		EDEDHO
C[NH+]=C(NCCn1cnc2ccccc21)N[C@H]1CN(C(C)C)C[C@@H]1C	ZINC000261942098	443174437	/nfs/dbraw/zinc/17/44/37/443174437.db2.gz	DSNPGYRXYZOZLR-RDJZCZTQSA-N	1	3	342.491	1.930	20	30		EDEDHO
CCN1CCC[C@H]1CNC(=[NH2+])NCCc1cccc(C(=O)N(C)C)c1	ZINC000267461436	443465749	/nfs/dbraw/zinc/46/57/49/443465749.db2.gz	VGLDQKTYLUCSLA-KRWDZBQOSA-N	1	3	345.491	1.320	20	30		EDEDHO
C[C@@H](CC[NH+](C)C)NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1	ZINC000299360550	444026956	/nfs/dbraw/zinc/02/69/56/444026956.db2.gz	JWYGPIBSIWLNPW-INIZCTEOSA-N	1	3	345.491	1.972	20	30		EDEDHO
C[NH+](C)CC(C)(C)CNC(=O)C1CCN(CCOCCC#N)CC1	ZINC000339001444	444979778	/nfs/dbraw/zinc/97/97/78/444979778.db2.gz	GELOBCBIOGIBMR-UHFFFAOYSA-N	1	3	338.496	1.333	20	30		EDEDHO
CCN(CCC#N)C(=O)CN1CCC[N@@H+](C2CCN(CC)CC2)CC1	ZINC000420986425	446965488	/nfs/dbraw/zinc/96/54/88/446965488.db2.gz	YJRVDPLNQUYREP-UHFFFAOYSA-N	1	3	349.523	1.241	20	30		EDEDHO
CCN(CCC#N)C(=O)CN1CCC[N@H+](C2CCN(CC)CC2)CC1	ZINC000420986425	446965495	/nfs/dbraw/zinc/96/54/95/446965495.db2.gz	YJRVDPLNQUYREP-UHFFFAOYSA-N	1	3	349.523	1.241	20	30		EDEDHO
C#C[C@@H]1COCCN1C(=O)C1CCN(C2CC[NH+](CC)CC2)CC1	ZINC000491653141	448071286	/nfs/dbraw/zinc/07/12/86/448071286.db2.gz	BZKTYHUFCHRLMB-QGZVFWFLSA-N	1	3	333.476	1.043	20	30		EDEDHO
CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NC[C@H]1CCCC[NH2+]1	ZINC000591358629	448341273	/nfs/dbraw/zinc/34/12/73/448341273.db2.gz	OEQZLGWNKIUUAG-GOSISDBHSA-N	1	3	343.475	1.774	20	30		EDEDHO
CN1CCN(Cc2ccc(C[NH2+]C[C@H](O)CC(C)(C)C#N)cc2)CC1	ZINC000598715984	449560084	/nfs/dbraw/zinc/56/00/84/449560084.db2.gz	XAWZMVGGVRTLEB-LJQANCHMSA-N	1	3	344.503	1.824	20	30		EDEDHO
O[C@]1(C2CC2)CCCN(CC#CC[N@@H+]2CCC[C@](O)(C3CC3)C2)C1	ZINC000661627950	452446658	/nfs/dbraw/zinc/44/66/58/452446658.db2.gz	SFDQLBVZNOVNMG-WOJBJXKFSA-N	1	3	332.488	1.464	20	30		EDEDHO
O[C@]1(C2CC2)CCCN(CC#CC[N@H+]2CCC[C@](O)(C3CC3)C2)C1	ZINC000661627950	452446667	/nfs/dbraw/zinc/44/66/67/452446667.db2.gz	SFDQLBVZNOVNMG-WOJBJXKFSA-N	1	3	332.488	1.464	20	30		EDEDHO
COc1ccc(NC(=[NH2+])NC[C@H](C)CN2CCN(C)CC2)cc1OC	ZINC000104174580	533992943	/nfs/dbraw/zinc/99/29/43/533992943.db2.gz	DXKHQEOMZTVOPI-AWEZNQCLSA-N	1	3	349.479	1.314	20	30		EDEDHO
CCN1CCC[C@@H]1CNC(=[NH2+])NCc1cnn(Cc2ccccc2)c1	ZINC000264104120	535549491	/nfs/dbraw/zinc/54/94/91/535549491.db2.gz	OYHBVWKWOOZUOR-GOSISDBHSA-N	1	3	340.475	1.820	20	30		EDEDHO
CCN(Cc1ccccc1)C(=O)CNC(=[NH2+])NC[C@H]1CCCN1CC	ZINC000264074426	535787677	/nfs/dbraw/zinc/78/76/77/535787677.db2.gz	FEBDNLDEXSYDLZ-QGZVFWFLSA-N	1	3	345.491	1.424	20	30		EDEDHO
C#C[C@H](NC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1)[C@@H]1CCCO1	ZINC000847757527	595479769	/nfs/dbraw/zinc/47/97/69/595479769.db2.gz	AJPQHGOXOBRCLH-OALUTQOASA-N	1	3	347.503	1.480	20	30		EDEDHO
CN(CCc1ccccc1)[C@@H]1CCN(C(=O)C#CC2CC[NH2+]CC2)C1	ZINC000852907086	595609274	/nfs/dbraw/zinc/60/92/74/595609274.db2.gz	CRGOTIMDSRTZFZ-HXUWFJFHSA-N	1	3	339.483	1.765	20	30		EDEDHO
CCN1CCN([C@H](C)C[NH2+]Cc2cnc3ccc(C#N)cn23)CC1	ZINC000123295753	596337160	/nfs/dbraw/zinc/33/71/60/596337160.db2.gz	WICRWGGUFDRUGL-OAHLLOKOSA-N	1	3	326.448	1.322	20	30		EDEDHO
N#Cc1ccccc1N1CCC(NC[C@@H](O)C[NH+]2CCCC2)CC1	ZINC000872222602	596841940	/nfs/dbraw/zinc/84/19/40/596841940.db2.gz	YDRAHKNZBNORGV-GOSISDBHSA-N	1	3	328.460	1.573	20	30		EDEDHO
C#CCN1CCC(C(=O)N[C@H]2CC[N@@H+](CCOC)CC2(C)C)CC1	ZINC000941237540	701428143	/nfs/dbraw/zinc/42/81/43/701428143.db2.gz	OQCFBNNZPHPNRL-KRWDZBQOSA-N	1	3	335.492	1.195	20	30		EDEDHO
C#CCN1CCC(C(=O)N[C@H]2CC[N@H+](CCOC)CC2(C)C)CC1	ZINC000941237540	701428144	/nfs/dbraw/zinc/42/81/44/701428144.db2.gz	OQCFBNNZPHPNRL-KRWDZBQOSA-N	1	3	335.492	1.195	20	30		EDEDHO
C#CCN1CCC(C(=O)N[C@@H]2CC[N@@H+](C[C@H](C)OC)CC2(C)C)CC1	ZINC000941238683	701429027	/nfs/dbraw/zinc/42/90/27/701429027.db2.gz	ZWWAPRVGVKCMHV-FUHWJXTLSA-N	1	3	349.519	1.583	20	30		EDEDHO
C#CCN1CCC(C(=O)N[C@@H]2CC[N@H+](C[C@H](C)OC)CC2(C)C)CC1	ZINC000941238683	701429028	/nfs/dbraw/zinc/42/90/28/701429028.db2.gz	ZWWAPRVGVKCMHV-FUHWJXTLSA-N	1	3	349.519	1.583	20	30		EDEDHO
C=C(Br)C[NH2+]C1CCN(C(=O)[C@@H](C2CC2)N(C)C)CC1	ZINC000996675182	702974409	/nfs/dbraw/zinc/97/44/09/702974409.db2.gz	FLYFNXWWDNMQFW-CQSZACIVSA-N	1	3	344.297	1.816	20	30		EDEDHO
C#CCCN1CC[C@@H](N(C)C(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1	ZINC001033442660	707874393	/nfs/dbraw/zinc/87/43/93/707874393.db2.gz	PZEPIQDVEMNOOU-AQNXPRMDSA-N	1	3	339.483	1.888	20	30		EDEDHO
C#CCCN1CC[C@@H](N(C)C(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1	ZINC001033442660	707874395	/nfs/dbraw/zinc/87/43/95/707874395.db2.gz	PZEPIQDVEMNOOU-AQNXPRMDSA-N	1	3	339.483	1.888	20	30		EDEDHO
C=C(C)CC[NH+]1CCC(N(C)C(=O)[C@H]2CN3CC4CC3(C4)CO2)CC1	ZINC001005741516	711315759	/nfs/dbraw/zinc/31/57/59/711315759.db2.gz	MAUYDBNXGCLEHU-KGXSXCIVSA-N	1	3	347.503	1.739	20	30		EDEDHO
CN(C)[C@H](C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(C#N)cc1)C1CC1	ZINC001034959557	711434747	/nfs/dbraw/zinc/43/47/47/711434747.db2.gz	BXIAJQIFEUKTRU-MOPGFXCFSA-N	1	3	340.471	1.979	20	30		EDEDHO
C[NH+]1CCC(N2CCC(NC(=O)N[C@@H]3CCC[C@@H]3C#N)CC2)CC1	ZINC000329549679	539443629	/nfs/dbraw/zinc/44/36/29/539443629.db2.gz	ACYCIIDSCGKTMU-RHSMWYFYSA-N	1	3	333.480	1.741	20	30		EDEDHO
C#CCN1CCC(C(=O)N[C@H](C)C[N@H+](C)Cc2ccccc2)CC1	ZINC000179720974	201031859	/nfs/dbraw/zinc/03/18/59/201031859.db2.gz	BXCVDYHTLUFUDG-QGZVFWFLSA-N	1	3	327.472	1.968	20	30		EDEDHO
C#CCN1CCC(C(=O)N[C@H](C)C[N@@H+](C)Cc2ccccc2)CC1	ZINC000179720974	201031863	/nfs/dbraw/zinc/03/18/63/201031863.db2.gz	BXCVDYHTLUFUDG-QGZVFWFLSA-N	1	3	327.472	1.968	20	30		EDEDHO
CN(CCN(C)C1CC[NH+](C)CC1)C[C@H](O)c1ccc(C#N)cc1	ZINC000180963556	442672221	/nfs/dbraw/zinc/67/22/21/442672221.db2.gz	NNLKTMLBOFBHIS-IBGZPJMESA-N	1	3	330.476	1.549	20	30		EDEDHO
C[NH+]=C(NCc1cn[nH]c1C)NCC1(N2CCOCC2)CCCCC1	ZINC000263237614	443227665	/nfs/dbraw/zinc/22/76/65/443227665.db2.gz	KBXVZCCGOUFSFS-UHFFFAOYSA-N	1	3	348.495	1.418	20	30		EDEDHO
CCN1CCN(Cc2ccc(CNC(=[NH2+])N[C@@H](C)COC)cc2)CC1	ZINC000264063398	443247392	/nfs/dbraw/zinc/24/73/92/443247392.db2.gz	ACUJNGKUHTZQEP-INIZCTEOSA-N	1	3	347.507	1.263	20	30		EDEDHO
CN(C(=[NH2+])NCCCCN1CCN(c2ccccc2)CC1)C1CC1	ZINC000273353350	443567383	/nfs/dbraw/zinc/56/73/83/443567383.db2.gz	QRAQPQZLFAFONF-UHFFFAOYSA-N	1	3	329.492	1.998	20	30		EDEDHO
CN(C)CCNC(=O)C1CC[NH+](Cc2ccc(CC#N)cc2)CC1	ZINC000342712690	444828667	/nfs/dbraw/zinc/82/86/67/444828667.db2.gz	AFFFEDTWHQYSMY-UHFFFAOYSA-N	1	3	328.460	1.642	20	30		EDEDHO
COCCN1CC[C@H](NC(=O)NC2CC[NH+](C(C)(C)C)CC2)C1	ZINC000330849378	445165414	/nfs/dbraw/zinc/16/54/14/445165414.db2.gz	PYDGTIXKFHVEBI-HNNXBMFYSA-N	1	3	326.485	1.474	20	30		EDEDHO
C#CCN1CCC(C(=O)N[C@@H]2CC[N@@H+](C[C@H]3CCCO3)C[C@H]2C)CC1	ZINC000364547089	445931014	/nfs/dbraw/zinc/93/10/14/445931014.db2.gz	OVDIOYZMLKQAQX-BHIYHBOVSA-N	1	3	347.503	1.337	20	30		EDEDHO
C#CCN1CCC(C(=O)N[C@@H]2CC[N@H+](C[C@H]3CCCO3)C[C@H]2C)CC1	ZINC000364547089	445931021	/nfs/dbraw/zinc/93/10/21/445931021.db2.gz	OVDIOYZMLKQAQX-BHIYHBOVSA-N	1	3	347.503	1.337	20	30		EDEDHO
C#CCN1CCC(C(=O)N[C@@H]2[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CC1	ZINC000371254018	446717700	/nfs/dbraw/zinc/71/77/00/446717700.db2.gz	QTEVJOLRGAEJBZ-PMOLBWCYSA-N	1	3	337.467	1.578	20	30		EDEDHO
C#CCN1CCC(C(=O)N[C@@H]2[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1	ZINC000371254018	446717711	/nfs/dbraw/zinc/71/77/11/446717711.db2.gz	QTEVJOLRGAEJBZ-PMOLBWCYSA-N	1	3	337.467	1.578	20	30		EDEDHO
N#CCCC[C@@H](N)C(=O)NCC1([NH3+])CCN(Cc2ccccc2)CC1	ZINC000424187789	446862709	/nfs/dbraw/zinc/86/27/09/446862709.db2.gz	BJASWSIRWDQLCI-QGZVFWFLSA-N	1	3	343.475	1.117	20	30		EDEDHO
CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Cc1ccc(C#N)nc1	ZINC000599248812	449829827	/nfs/dbraw/zinc/82/98/27/449829827.db2.gz	APGAFHTTYSHFME-GOSISDBHSA-N	1	3	343.475	1.370	20	30		EDEDHO
CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Cc1ccc(C#N)nc1	ZINC000599248812	449829840	/nfs/dbraw/zinc/82/98/40/449829840.db2.gz	APGAFHTTYSHFME-GOSISDBHSA-N	1	3	343.475	1.370	20	30		EDEDHO
C=CC[C@]1(C(=O)NCc2cccc(OCCN(C)C)c2)CCC[NH2+]1	ZINC000662675914	453393858	/nfs/dbraw/zinc/39/38/58/453393858.db2.gz	QMOHBXMOYKEKOG-LJQANCHMSA-N	1	3	331.460	1.942	20	30		EDEDHO
C[C@H](CO)[C@@H]1CCCCN1CC#CC[N@@H+]1CCCC[C@H]1[C@H](C)CO	ZINC000661440852	453818434	/nfs/dbraw/zinc/81/84/34/453818434.db2.gz	FIYIQVKGRZSGMD-ZRNYENFQSA-N	1	3	336.520	1.956	20	30		EDEDHO
C[C@H](CO)[C@@H]1CCCCN1CC#CC[N@H+]1CCCC[C@H]1[C@H](C)CO	ZINC000661440852	453818437	/nfs/dbraw/zinc/81/84/37/453818437.db2.gz	FIYIQVKGRZSGMD-ZRNYENFQSA-N	1	3	336.520	1.956	20	30		EDEDHO
CCN1CCC[C@@H]1CNC(=[NH2+])NCc1cccc(C(=O)N(C)C)c1	ZINC000264066421	535549752	/nfs/dbraw/zinc/54/97/52/535549752.db2.gz	BLLDEYQJVHXTRT-MRXNPFEDSA-N	1	3	331.464	1.277	20	30		EDEDHO
C[C@@H]1CN(Cc2ccccc2)C[C@@H](C)C1[NH2+]CC(=O)NCCC#N	ZINC000787301605	580692279	/nfs/dbraw/zinc/69/22/79/580692279.db2.gz	IZGUXMNHAIRVOT-HZPDHXFCSA-N	1	3	328.460	1.762	20	30		EDEDHO
C[C@@H]1[C@H](Nc2nc(N[C@@H]3CC[N@H+](C)[C@@H]3C)ccc2C#N)CCN1C	ZINC000895737756	591265050	/nfs/dbraw/zinc/26/50/50/591265050.db2.gz	YBJLIXBPUVOUBQ-RRCSTGOVSA-N	1	3	328.464	1.962	20	30		EDEDHO
C[C@@H]1[C@H](Nc2nc(N[C@@H]3CC[N@@H+](C)[C@@H]3C)ccc2C#N)CCN1C	ZINC000895737756	591265051	/nfs/dbraw/zinc/26/50/51/591265051.db2.gz	YBJLIXBPUVOUBQ-RRCSTGOVSA-N	1	3	328.464	1.962	20	30		EDEDHO
COc1cc(C#N)ccc1CONC(=N)[C@H]1C[N@@H+]2CCC[C@H]2CO1	ZINC000902807105	592062910	/nfs/dbraw/zinc/06/29/10/592062910.db2.gz	ALDVWAYERVJAOM-GOEBONIOSA-N	1	3	330.388	1.429	20	30		EDEDHO
COc1cc(C#N)ccc1CONC(=N)[C@H]1C[N@H+]2CCC[C@H]2CO1	ZINC000902807105	592062912	/nfs/dbraw/zinc/06/29/12/592062912.db2.gz	ALDVWAYERVJAOM-GOEBONIOSA-N	1	3	330.388	1.429	20	30		EDEDHO
C=CC[NH+]1CCC(NC[C@H](O)c2ccc(S(C)(=O)=O)cc2)CC1	ZINC000819024280	593734431	/nfs/dbraw/zinc/73/44/31/593734431.db2.gz	NIVVYGVTNYQLMB-KRWDZBQOSA-N	1	3	338.473	1.364	20	30		EDEDHO
O=C(C#CC1CC[NH2+]CC1)NC1CCN(CCc2ccccc2)CC1	ZINC000852857948	595578792	/nfs/dbraw/zinc/57/87/92/595578792.db2.gz	KUYRAHSXRWLBNA-UHFFFAOYSA-N	1	3	339.483	1.813	20	30		EDEDHO
C=C(Cl)C[C@@H](N)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1	ZINC000876965536	597400306	/nfs/dbraw/zinc/40/03/06/597400306.db2.gz	FUGOSWDKEJNTEX-RBSFLKMASA-N	1	3	325.815	1.857	20	30		EDEDHO
N#C[C@H]1C[NH2+]CC12CC(C(=O)Nc1ccc3c(c1)CNCCO3)C2	ZINC000884291857	598057025	/nfs/dbraw/zinc/05/70/25/598057025.db2.gz	JSEQRQLHZVKDFX-FVRSWCFKSA-N	1	3	326.400	1.246	20	30		EDEDHO
N#C[C@@H]1CNCC12CC(C(=O)NC[C@H]1CCC[N@H+](CC3CC3)C1)C2	ZINC000884421694	598100788	/nfs/dbraw/zinc/10/07/88/598100788.db2.gz	BNOSJPZUDZOIFN-FXQQTDPRSA-N	1	3	330.476	1.364	20	30		EDEDHO
N#C[C@@H]1CNCC12CC(C(=O)NC[C@H]1CCC[N@@H+](CC3CC3)C1)C2	ZINC000884421694	598100790	/nfs/dbraw/zinc/10/07/90/598100790.db2.gz	BNOSJPZUDZOIFN-FXQQTDPRSA-N	1	3	330.476	1.364	20	30		EDEDHO
C[C@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1NCc1ccc(C#N)s1	ZINC000939053985	699114072	/nfs/dbraw/zinc/11/40/72/699114072.db2.gz	CGVRZKLHYAVISL-SUMWQHHRSA-N	1	3	346.500	1.898	20	30		EDEDHO
C#CCN1CCC(C(=O)NCC2C[NH+](CCCC3CCC3)C2)CC1	ZINC001032207448	702190944	/nfs/dbraw/zinc/19/09/44/702190944.db2.gz	ROLZUXZMDXEMPR-UHFFFAOYSA-N	1	3	331.504	1.960	20	30		EDEDHO
CC(C)[NH+]=C(NCC(=O)N(C)C)N1CC[C@@H]2[C@H](CCCN2C2CC2)C1	ZINC000185545947	704009181	/nfs/dbraw/zinc/00/91/81/704009181.db2.gz	IUMBLWFROVKPKW-NVXWUHKLSA-N	1	3	349.523	1.377	20	30		EDEDHO
CN(C(=O)[C@@H]1CCCN1C)C1CC([NH2+]Cc2ccc(C#N)cc2)C1	ZINC000998554577	705989028	/nfs/dbraw/zinc/98/90/28/705989028.db2.gz	YYPKCVPHZDVYCA-ABHNRTSZSA-N	1	3	326.444	1.731	20	30		EDEDHO
C=C(Br)CNC1CC(N(C)C(=O)C[C@H]2CC[N@H+](C)C2)C1	ZINC000999682701	707168643	/nfs/dbraw/zinc/16/86/43/707168643.db2.gz	SPMGDMMBQBKQBJ-IYXRBSQSSA-N	1	3	344.297	1.816	20	30		EDEDHO
C=C(Br)CNC1CC(N(C)C(=O)C[C@H]2CC[N@@H+](C)C2)C1	ZINC000999682701	707168647	/nfs/dbraw/zinc/16/86/47/707168647.db2.gz	SPMGDMMBQBKQBJ-IYXRBSQSSA-N	1	3	344.297	1.816	20	30		EDEDHO
CN(C(=O)CN1CCCC1)C1CC([NH2+]Cc2cc(C#N)ccc2F)C1	ZINC000999832744	707464051	/nfs/dbraw/zinc/46/40/51/707464051.db2.gz	HPFBQJTWIZDEPI-UHFFFAOYSA-N	1	3	344.434	1.872	20	30		EDEDHO
C[NH+]1CCC(N2CCC(NC(=O)NC[C@]3(C)CCOC3)CC2)CC1	ZINC000329383622	539432328	/nfs/dbraw/zinc/43/23/28/539432328.db2.gz	OYDLLQJVRBPVGL-SFHVURJKSA-N	1	3	338.496	1.475	20	30		EDEDHO
COc1ccc(C[NH2+]CC2(O)CCN(C)CC2)cc1OCCCC#N	ZINC000077450565	441782042	/nfs/dbraw/zinc/78/20/42/441782042.db2.gz	MFAGVABTMBWNIY-UHFFFAOYSA-N	1	3	347.459	1.924	20	30		EDEDHO
C=CCN(CCOC)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1	ZINC000191138059	443247449	/nfs/dbraw/zinc/24/74/49/443247449.db2.gz	MNIQJEWIRHGNKZ-UHFFFAOYSA-N	1	3	338.496	1.389	20	30		EDEDHO
CCN1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(N2CCCCC2)nc1	ZINC000264133141	443251908	/nfs/dbraw/zinc/25/19/08/443251908.db2.gz	UOUQPMXDPDHFCF-QGZVFWFLSA-N	1	3	344.507	1.961	20	30		EDEDHO
COCC[N@H+](C)CCCNC(=O)C(C#N)Cc1ccc(C#N)cc1	ZINC000280600405	443737746	/nfs/dbraw/zinc/73/77/46/443737746.db2.gz	FXZDSFNCHXXMOO-QGZVFWFLSA-N	1	3	328.416	1.325	20	30		EDEDHO
COCC[N@@H+](C)CCCNC(=O)C(C#N)Cc1ccc(C#N)cc1	ZINC000280600405	443737747	/nfs/dbraw/zinc/73/77/47/443737747.db2.gz	FXZDSFNCHXXMOO-QGZVFWFLSA-N	1	3	328.416	1.325	20	30		EDEDHO
C#CCN(C)CCCNC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1	ZINC000294103058	444102937	/nfs/dbraw/zinc/10/29/37/444102937.db2.gz	YJYLNXHFTLXRSP-LJQANCHMSA-N	1	3	327.472	1.970	20	30		EDEDHO
C#CCN(C)CCCNC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1	ZINC000294103058	444102942	/nfs/dbraw/zinc/10/29/42/444102942.db2.gz	YJYLNXHFTLXRSP-LJQANCHMSA-N	1	3	327.472	1.970	20	30		EDEDHO
CN(C)[C@@H]1CCN(C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)C1	ZINC000330892632	445184731	/nfs/dbraw/zinc/18/47/31/445184731.db2.gz	KSKOJYHPMUKALR-ZIAGYGMSSA-N	1	3	325.457	1.174	20	30		EDEDHO
CN(C)[C@@H]1CCN(C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)C1	ZINC000330892632	445184733	/nfs/dbraw/zinc/18/47/33/445184733.db2.gz	KSKOJYHPMUKALR-ZIAGYGMSSA-N	1	3	325.457	1.174	20	30		EDEDHO
C#CCN1CCC(C(=O)N2C[C@@H](C[NH+](C)C)Oc3ccccc32)CC1	ZINC000366166469	446055009	/nfs/dbraw/zinc/05/50/09/446055009.db2.gz	YPRSTIORQMZGGF-QGZVFWFLSA-N	1	3	341.455	1.687	20	30		EDEDHO
CC[C@H](C)N1CCN(CC#CCN2CC[NH+]([C@@H](C)CC)CC2)CC1	ZINC000451845259	447760063	/nfs/dbraw/zinc/76/00/63/447760063.db2.gz	PKIGISNCORQRIX-PMACEKPBSA-N	1	3	334.552	1.822	20	30		EDEDHO
C#CCN(C)CCCNC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1	ZINC000491805354	448133451	/nfs/dbraw/zinc/13/34/51/448133451.db2.gz	OECKXSSFTJOUJH-FUHWJXTLSA-N	1	3	332.492	1.600	20	30		EDEDHO
C#CCN(C)CCCNC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1	ZINC000491805354	448133454	/nfs/dbraw/zinc/13/34/54/448133454.db2.gz	OECKXSSFTJOUJH-FUHWJXTLSA-N	1	3	332.492	1.600	20	30		EDEDHO
C[NH+](C)C1(CNC(=O)[C@@H](N)CCCCC#N)Cc2ccccc2C1	ZINC000594439654	449518129	/nfs/dbraw/zinc/51/81/29/449518129.db2.gz	UCUUPAVAIDSSKJ-KRWDZBQOSA-N	1	3	328.460	1.613	20	30		EDEDHO
C=CCN1CCC(NC(=O)N2CCO[C@H](CCC[NH+](C)C)C2)CC1	ZINC000664021699	452723774	/nfs/dbraw/zinc/72/37/74/452723774.db2.gz	ZGQAKNYMLPNVDZ-QGZVFWFLSA-N	1	3	338.496	1.389	20	30		EDEDHO
COc1ccc(NC(=[NH2+])NC[C@@H](C)CN2CCN(C)CC2)cc1OC	ZINC000104174583	533989999	/nfs/dbraw/zinc/98/99/99/533989999.db2.gz	DXKHQEOMZTVOPI-CQSZACIVSA-N	1	3	349.479	1.314	20	30		EDEDHO
CN(C)CCNC(=O)c1cccc(CNC(=[NH2+])NC2CCCCC2)c1	ZINC000264088021	535889461	/nfs/dbraw/zinc/88/94/61/535889461.db2.gz	KDNOKDXNSWWTNX-UHFFFAOYSA-N	1	3	345.491	1.715	20	30		EDEDHO
C=C(CC[NH+](C)C)C(=O)NCc1ccccc1CN1CCC[C@@H]1CO	ZINC000907287204	592585140	/nfs/dbraw/zinc/58/51/40/592585140.db2.gz	HCIFCONJYNYLQP-LJQANCHMSA-N	1	3	345.487	1.767	20	30		EDEDHO
CC(C)(O)[C@H]1CCCN(CC#CC[N@@H+]2CCC[C@H](C(C)(C)O)C2)C1	ZINC000879963242	597786294	/nfs/dbraw/zinc/78/62/94/597786294.db2.gz	HTIULDBESDWLPB-ROUUACIJSA-N	1	3	336.520	1.956	20	30		EDEDHO
CC(C)(O)[C@H]1CCCN(CC#CC[N@H+]2CCC[C@H](C(C)(C)O)C2)C1	ZINC000879963242	597786297	/nfs/dbraw/zinc/78/62/97/597786297.db2.gz	HTIULDBESDWLPB-ROUUACIJSA-N	1	3	336.520	1.956	20	30		EDEDHO
N#C[C@@H]1CNCC12CC(C(=O)N[C@H](CCC[NH3+])c1ccccc1)C2	ZINC000884337092	598073153	/nfs/dbraw/zinc/07/31/53/598073153.db2.gz	CXNNHPHJCWWJOM-VZDIDWBNSA-N	1	3	326.444	1.722	20	30		EDEDHO
C#CCN(C(=O)NCc1cccc(C[NH+](C)C)c1)C1CCN(C)CC1	ZINC000914142818	695151495	/nfs/dbraw/zinc/15/14/95/695151495.db2.gz	NSKUOWMEPDOFNL-UHFFFAOYSA-N	1	3	342.487	1.987	20	30		EDEDHO
C=C(C)CCN1CC(N2CCN(C(=O)C3CC[NH+](C)CC3)CC2)C1	ZINC000941545363	701575988	/nfs/dbraw/zinc/57/59/88/701575988.db2.gz	ZYXIVRNQXMVSHG-UHFFFAOYSA-N	1	3	334.508	1.123	20	30		EDEDHO
C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CN3CC4CC3(C4)CO2)C(C)(C)C1	ZINC000940902104	700976883	/nfs/dbraw/zinc/97/68/83/700976883.db2.gz	WNYZHOPTYAOSAH-RXCRORICSA-N	1	3	347.503	1.642	20	30		EDEDHO
C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@H]2CN3CC4CC3(C4)CO2)C(C)(C)C1	ZINC000940902104	700976885	/nfs/dbraw/zinc/97/68/85/700976885.db2.gz	WNYZHOPTYAOSAH-RXCRORICSA-N	1	3	347.503	1.642	20	30		EDEDHO
C#CCN1CCC(C(=O)NCC2C[NH+](CC3CC(C)(C)C3)C2)CC1	ZINC001032207327	702158345	/nfs/dbraw/zinc/15/83/45/702158345.db2.gz	NCEBENPLYAFBCC-UHFFFAOYSA-N	1	3	331.504	1.816	20	30		EDEDHO
C=C(Br)C[NH2+]C1CCN(C(=O)[C@H](C2CC2)N(C)C)CC1	ZINC000996675179	702974378	/nfs/dbraw/zinc/97/43/78/702974378.db2.gz	FLYFNXWWDNMQFW-AWEZNQCLSA-N	1	3	344.297	1.816	20	30		EDEDHO
CN(C)[C@H](C(=O)N1CCC([NH2+]Cc2ccccc2C#N)CC1)C1CC1	ZINC000996678368	702977025	/nfs/dbraw/zinc/97/70/25/702977025.db2.gz	MWFIWSTZIMCXJR-IBGZPJMESA-N	1	3	340.471	1.979	20	30		EDEDHO
C=C(Br)C[NH2+]C1CCN(C(=O)CN2CC[C@H](C)C2)CC1	ZINC000996993112	703249792	/nfs/dbraw/zinc/24/97/92/703249792.db2.gz	APJGVFSIROUTJM-LBPRGKRZSA-N	1	3	344.297	1.817	20	30		EDEDHO
C#CCC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CN3CC4CC3(C4)CO2)CC1	ZINC000997228355	703503992	/nfs/dbraw/zinc/50/39/92/703503992.db2.gz	GTATWDYZCMFXQL-XDAPHXNSSA-N	1	3	345.487	1.090	20	30		EDEDHO
C#CCN1CCC(C(=O)NC2CC[NH+](CC[C@@H]3CCOC3)CC2)CC1	ZINC001004200547	703926931	/nfs/dbraw/zinc/92/69/31/703926931.db2.gz	COTUFBADIYMDTB-QGZVFWFLSA-N	1	3	347.503	1.339	20	30		EDEDHO
C#CCN1CCC[C@H](N(CC)C(=O)c2ccn(CC[NH+](C)C)n2)CC1	ZINC000998007461	705172355	/nfs/dbraw/zinc/17/23/55/705172355.db2.gz	OHKUADIKTCENCO-KRWDZBQOSA-N	1	3	345.491	1.395	20	30		EDEDHO
C[N@@H+]1CC[C@@H](C(=O)N2CCC(CNCc3ccccc3C#N)CC2)C1	ZINC000998265240	705632462	/nfs/dbraw/zinc/63/24/62/705632462.db2.gz	JUCNYPSOBKLHNK-LJQANCHMSA-N	1	3	340.471	1.838	20	30		EDEDHO
C[N@H+]1CC[C@@H](C(=O)N2CCC(CNCc3ccccc3C#N)CC2)C1	ZINC000998265240	705632464	/nfs/dbraw/zinc/63/24/64/705632464.db2.gz	JUCNYPSOBKLHNK-LJQANCHMSA-N	1	3	340.471	1.838	20	30		EDEDHO
C=CCN1CCC(N(C)C(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)CC1	ZINC001005409521	708921788	/nfs/dbraw/zinc/92/17/88/708921788.db2.gz	KDHXENORTJZBDJ-MOPGFXCFSA-N	1	3	349.519	1.842	20	30		EDEDHO
C#CCN1CCC(C(=O)N[C@H]2CCCC[N@H+](C[C@H]3CCOC3)C2)CC1	ZINC001034538823	710211780	/nfs/dbraw/zinc/21/17/80/710211780.db2.gz	RSAUQUXFWRTBBA-MJGOQNOKSA-N	1	3	347.503	1.339	20	30		EDEDHO
C#CCN1CCC(C(=O)N[C@H]2CCCC[N@@H+](C[C@H]3CCOC3)C2)CC1	ZINC001034538823	710211782	/nfs/dbraw/zinc/21/17/82/710211782.db2.gz	RSAUQUXFWRTBBA-MJGOQNOKSA-N	1	3	347.503	1.339	20	30		EDEDHO
CN(CCCNC(=[NH2+])NCCCN1CCOCC1)Cc1ccccc1	ZINC000264081590	249332273	/nfs/dbraw/zinc/33/22/73/249332273.db2.gz	IORNXTMYUHKLHP-UHFFFAOYSA-N	1	3	347.507	1.135	20	30		EDEDHO
C#CCNC(=O)[C@@H](C)N(C)CCC1CC[NH+](C2CCN(C)CC2)CC1	ZINC000377266636	250287444	/nfs/dbraw/zinc/28/74/44/250287444.db2.gz	LFUIMLJVGJMELD-QGZVFWFLSA-N	1	3	348.535	1.252	20	30		EDEDHO
COc1ccc(CNC(=[NH2+])NCCN2CCC[C@@H](C)C2)cc1OC	ZINC000104168279	533551670	/nfs/dbraw/zinc/55/16/70/533551670.db2.gz	SHRZBRDDPHTVHJ-CQSZACIVSA-N	1	3	334.464	1.840	20	30		EDEDHO
CN1CCC([C@@H]2CC[N@H+](C[C@H]3CNc4c(C#N)cnn4C3)C2)CC1	ZINC000518188168	267333670	/nfs/dbraw/zinc/33/36/70/267333670.db2.gz	ZPZFEBIXWGXPHM-GDBMZVCRSA-N	1	3	328.464	1.460	20	30		EDEDHO
CN1CCC([C@@H]2CC[N@@H+](C[C@H]3CNc4c(C#N)cnn4C3)C2)CC1	ZINC000518188168	267333673	/nfs/dbraw/zinc/33/36/73/267333673.db2.gz	ZPZFEBIXWGXPHM-GDBMZVCRSA-N	1	3	328.464	1.460	20	30		EDEDHO
C=C(C)CN1CCC(NC(=O)[C@H]([NH2+]C2CCOCC2)C(C)C)CC1	ZINC000173161065	442613280	/nfs/dbraw/zinc/61/32/80/442613280.db2.gz	GBPAPVDHJSUFQN-GOSISDBHSA-N	1	3	337.508	1.936	20	30		EDEDHO
CC(C)CNC(=[NH2+])NCc1cccc(CN2CCC[C@H](C(N)=O)C2)c1	ZINC000267445338	443460651	/nfs/dbraw/zinc/46/06/51/443460651.db2.gz	PXJGCSUIMUNIRT-KRWDZBQOSA-N	1	3	345.491	1.444	20	30		EDEDHO
C[C@H](CNC(=O)N[C@@H](C)C1=CC[N@H+](C)CC1)CN1CCN(C)CC1	ZINC000329302935	444527627	/nfs/dbraw/zinc/52/76/27/444527627.db2.gz	NQCBZZBFCZITEE-CVEARBPZSA-N	1	3	337.512	1.024	20	30		EDEDHO
C[C@H](CNC(=O)N[C@@H](C)C1=CC[N@@H+](C)CC1)CN1CCN(C)CC1	ZINC000329302935	444527630	/nfs/dbraw/zinc/52/76/30/444527630.db2.gz	NQCBZZBFCZITEE-CVEARBPZSA-N	1	3	337.512	1.024	20	30		EDEDHO
CC[NH+]1CCC(N2CCCN(Cc3ccc(C#N)cn3)CC2)CC1	ZINC000569937250	447922707	/nfs/dbraw/zinc/92/27/07/447922707.db2.gz	HZBMRYIERKVIDO-UHFFFAOYSA-N	1	3	327.476	1.945	20	30		EDEDHO
C[NH+](C)C1CCC(NCCS(=O)(=O)c2cccc(C#N)c2)CC1	ZINC000577722244	448367343	/nfs/dbraw/zinc/36/73/43/448367343.db2.gz	LTIVSGHMJVXSFT-UHFFFAOYSA-N	1	3	335.473	1.794	20	30		EDEDHO
C=CCN1CCC(NC(=O)N2CCN(c3cc[nH+]cc3)CC2)CC1	ZINC000592524180	448877325	/nfs/dbraw/zinc/87/73/25/448877325.db2.gz	UGDHJWPPZMVKKC-UHFFFAOYSA-N	1	3	329.448	1.564	20	30		EDEDHO
COCCC[NH+]1CCC(NC[C@@H](O)COc2ccc(C#N)cc2)CC1	ZINC000582296605	449060337	/nfs/dbraw/zinc/06/03/37/449060337.db2.gz	OZWBTZQWYHRZNF-GOSISDBHSA-N	1	3	347.459	1.388	20	30		EDEDHO
C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)[C@H](N)CCCCC#N)CC1	ZINC000594437019	449516017	/nfs/dbraw/zinc/51/60/17/449516017.db2.gz	SHXVGJYNNMGKBP-DLBZAZTESA-N	1	3	335.496	1.026	20	30		EDEDHO
C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)[C@H](N)CCCCC#N)CC1	ZINC000594437019	449516020	/nfs/dbraw/zinc/51/60/20/449516020.db2.gz	SHXVGJYNNMGKBP-DLBZAZTESA-N	1	3	335.496	1.026	20	30		EDEDHO
N#CC1(c2ccc(C[NH2+]CCCN3CCC[C@@H](C(N)=O)C3)cc2)CC1	ZINC000594919309	449808119	/nfs/dbraw/zinc/80/81/19/449808119.db2.gz	HWQOWGWSMHKRMG-QGZVFWFLSA-N	1	3	340.471	1.919	20	30		EDEDHO
CN(C)CCN(CC[NH+](C)C)C(=O)c1cc2ccccc2n1CC#N	ZINC000609187673	449975104	/nfs/dbraw/zinc/97/51/04/449975104.db2.gz	GFGDYTRXMXKWLR-UHFFFAOYSA-N	1	3	341.459	1.730	20	30		EDEDHO
C[NH+]1CCC(N2CCC(NC(=O)N3CC[C@](F)(C#N)C3)CC2)CC1	ZINC000615537338	450131522	/nfs/dbraw/zinc/13/15/22/450131522.db2.gz	ZYXMSACEOIJCRQ-KRWDZBQOSA-N	1	3	337.443	1.192	20	30		EDEDHO
CCN(CC)[C@@H](CNC(NCCN1CCOCC1)=[NH+]C)CC(C)C	ZINC000849054854	595476243	/nfs/dbraw/zinc/47/62/43/595476243.db2.gz	VOKAPNPCLZCPRQ-QGZVFWFLSA-N	1	3	341.544	1.240	20	30		EDEDHO
C=CCN1CCC(NC(=O)C(=O)Nc2ccc([C@@H]3C[C@H]3[NH3+])cc2)CC1	ZINC000868231056	596736778	/nfs/dbraw/zinc/73/67/78/596736778.db2.gz	WTSMEQMXMJQGIK-DLBZAZTESA-N	1	3	342.443	1.206	20	30		EDEDHO
C=CCN1CCC(NC(=O)c2c(C)cnn2[C@H]2CCC[NH2+]C2)CC1	ZINC000876756171	597324486	/nfs/dbraw/zinc/32/44/86/597324486.db2.gz	PPTLPASQZLSFOA-INIZCTEOSA-N	1	3	331.464	1.496	20	30		EDEDHO
CC1CCC(N2CCN(C(=O)C3CC4(C3)C[NH2+]C[C@H]4C#N)CC2)CC1	ZINC000884221045	598033748	/nfs/dbraw/zinc/03/37/48/598033748.db2.gz	IILLQKKFIXDMCX-ZMMKMROJSA-N	1	3	344.503	1.849	20	30		EDEDHO
C#CCN(C(=O)NC[C@H]1CC[N@@H+](CC(C)C)C1)C1CCN(C)CC1	ZINC000921426821	697603744	/nfs/dbraw/zinc/60/37/44/697603744.db2.gz	MWTJZRWTJOPIIU-QGZVFWFLSA-N	1	3	334.508	1.703	20	30		EDEDHO
C#CCN(C(=O)NC[C@H]1CC[N@H+](CC(C)C)C1)C1CCN(C)CC1	ZINC000921426821	697603746	/nfs/dbraw/zinc/60/37/46/697603746.db2.gz	MWTJZRWTJOPIIU-QGZVFWFLSA-N	1	3	334.508	1.703	20	30		EDEDHO
C#CCN1CCC(C(=O)NCC2C[NH+](C[C@H]3CCO[C@H](C)C3)C2)CC1	ZINC001032207176	702115946	/nfs/dbraw/zinc/11/59/46/702115946.db2.gz	GHSZHCRWONOGHN-SJORKVTESA-N	1	3	347.503	1.195	20	30		EDEDHO
C#CCN1CCC(C(=O)NC2CC[NH+](C[C@H](CC)OC)CC2)CC1	ZINC001004200476	703926795	/nfs/dbraw/zinc/92/67/95/703926795.db2.gz	AFBURXLRSDKQMG-SFHVURJKSA-N	1	3	335.492	1.337	20	30		EDEDHO
C#CCN1CCC(C(=O)NC2CC[NH+](C[C@@H]3CCCCO3)CC2)CC1	ZINC001004201361	703928523	/nfs/dbraw/zinc/92/85/23/703928523.db2.gz	NPZNOIZQCPDUFL-IBGZPJMESA-N	1	3	347.503	1.481	20	30		EDEDHO
CN1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2ccc(C#N)c(F)c2)C1	ZINC000998718010	706149923	/nfs/dbraw/zinc/14/99/23/706149923.db2.gz	AFVHLHGPFDHATE-SJLPKXTDSA-N	1	3	344.434	1.872	20	30		EDEDHO
C#CCN1CCC(C(=O)NCC2CC[NH+](C[C@@H]3CCOC3)CC2)CC1	ZINC001002145570	708659828	/nfs/dbraw/zinc/65/98/28/708659828.db2.gz	SEKZIKYQVJDTFP-SFHVURJKSA-N	1	3	347.503	1.196	20	30		EDEDHO
C[NH+]=C(NCC(=O)NCc1ccco1)N1CC[C@H](N2CCCCC2)C1	ZINC000262446798	249320964	/nfs/dbraw/zinc/32/09/64/249320964.db2.gz	IZPWECHVAZYEPM-HNNXBMFYSA-N	1	3	347.463	1.031	20	30		EDEDHO
C#CCN1CCC(C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1	ZINC000193766437	442782635	/nfs/dbraw/zinc/78/26/35/442782635.db2.gz	UZROPJZKSVPYNI-LJQANCHMSA-N	1	3	339.483	1.970	20	30		EDEDHO
C#CCN1CCC(C(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1	ZINC000193766437	442782639	/nfs/dbraw/zinc/78/26/39/442782639.db2.gz	UZROPJZKSVPYNI-LJQANCHMSA-N	1	3	339.483	1.970	20	30		EDEDHO
CCN1CCC[C@@H]1CNC(=[NH2+])NCc1ccccc1-n1cccn1	ZINC000264132700	443252165	/nfs/dbraw/zinc/25/21/65/443252165.db2.gz	YHNYFPSJJLVGCV-MRXNPFEDSA-N	1	3	326.448	1.761	20	30		EDEDHO
CCN1CCC[C@H]1CNC(=[NH2+])NCc1ncnn1-c1ccccc1	ZINC000278639500	443386884	/nfs/dbraw/zinc/38/68/84/443386884.db2.gz	ZAOZWAWJJQYZFW-HNNXBMFYSA-N	1	3	327.436	1.156	20	30		EDEDHO
C=CCN(CC=C)C(=O)[C@H](C)N(C)CCN(C)C1CC[NH+](C)CC1	ZINC000271740703	443511988	/nfs/dbraw/zinc/51/19/88/443511988.db2.gz	WGHSPOJIMXNTGG-KRWDZBQOSA-N	1	3	336.524	1.533	20	30		EDEDHO
C[NH+](C)C1(CNC(=O)C(C#N)Cc2ccc(C#N)cc2)CCOCC1	ZINC000280904844	443770937	/nfs/dbraw/zinc/77/09/37/443770937.db2.gz	NASONXAMNTUHES-KRWDZBQOSA-N	1	3	340.427	1.468	20	30		EDEDHO
CC1CCN(C(=[NH2+])NCC2(N3CCCCC3)CCN(C)CC2)CC1	ZINC000304286778	444245629	/nfs/dbraw/zinc/24/56/29/444245629.db2.gz	ILPZZTUPPYMLMR-UHFFFAOYSA-N	1	3	335.540	1.983	20	30		EDEDHO
CC(C#N)C(=O)NCc1cccc(OCC[N@H+](C)C2CCOCC2)c1	ZINC000347103842	445232213	/nfs/dbraw/zinc/23/22/13/445232213.db2.gz	APKGOWXVVBAKCC-OAHLLOKOSA-N	1	3	345.443	1.952	20	30		EDEDHO
CC(C#N)C(=O)NCc1cccc(OCC[N@@H+](C)C2CCOCC2)c1	ZINC000347103842	445232215	/nfs/dbraw/zinc/23/22/15/445232215.db2.gz	APKGOWXVVBAKCC-OAHLLOKOSA-N	1	3	345.443	1.952	20	30		EDEDHO
C=CCN(CC=C)[C@H](CNC(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1)C(C)C	ZINC000417067457	447733120	/nfs/dbraw/zinc/73/31/20/447733120.db2.gz	RQZPDUBRDZKUSD-OKZBNKHCSA-N	1	3	334.508	1.936	20	30		EDEDHO
N#Cc1ccc(C2([NH2+]C[C@H]3CCCN(C(=O)CN)C3)CCC2)cc1	ZINC000594581087	449583380	/nfs/dbraw/zinc/58/33/80/449583380.db2.gz	MSUHXAXWDQCAEY-MRXNPFEDSA-N	1	3	326.444	1.724	20	30		EDEDHO
CN1CC[C@]2(C1)CCC[N@H+](C[C@@H](O)COc1ccc(CC#N)cc1)C2	ZINC000595508163	450196230	/nfs/dbraw/zinc/19/62/30/450196230.db2.gz	UQGDVEWRFFUQGM-QUCCMNQESA-N	1	3	343.471	1.910	20	30		EDEDHO
CN1CC[C@]2(C1)CCC[N@@H+](C[C@@H](O)COc1ccc(CC#N)cc1)C2	ZINC000595508163	450196234	/nfs/dbraw/zinc/19/62/34/450196234.db2.gz	UQGDVEWRFFUQGM-QUCCMNQESA-N	1	3	343.471	1.910	20	30		EDEDHO
C=C(CC[NH+](C)C)C(=O)NCc1ccc(CN2CCC(O)CC2)cc1	ZINC000900703076	592098888	/nfs/dbraw/zinc/09/88/88/592098888.db2.gz	IFQQEBHIUVNPOC-UHFFFAOYSA-N	1	3	345.487	1.767	20	30		EDEDHO
COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(Cc1cc(Cl)cc(C#N)c1)C2	ZINC000903494726	592186686	/nfs/dbraw/zinc/18/66/86/592186686.db2.gz	MBSLINYQKYNMHM-LXZKKBNFSA-N	1	3	333.819	1.924	20	30		EDEDHO
C=C(C)C[NH+]1CCC(N[C@H](C)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)CC1	ZINC000813325966	593526629	/nfs/dbraw/zinc/52/66/29/593526629.db2.gz	NNUIBTSDBDTQCM-CYBMUJFWSA-N	1	3	342.443	1.908	20	30		EDEDHO
C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)C1(C#N)CCSCC1	ZINC000824818460	594079830	/nfs/dbraw/zinc/07/98/30/594079830.db2.gz	GNBXCDDDPRREFJ-AWEZNQCLSA-N	1	3	326.510	1.412	20	30		EDEDHO
C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)C1(C#N)CCSCC1	ZINC000824818460	594079832	/nfs/dbraw/zinc/07/98/32/594079832.db2.gz	GNBXCDDDPRREFJ-AWEZNQCLSA-N	1	3	326.510	1.412	20	30		EDEDHO
N#CCCC[C@@H](N)C(=O)Nc1ccccc1C(=O)OC[C@H]1CCC[NH2+]1	ZINC000843334054	595078164	/nfs/dbraw/zinc/07/81/64/595078164.db2.gz	DLFHMRGVFYCVHK-UKRRQHHQSA-N	1	3	344.415	1.555	20	30		EDEDHO
C[C@H](C#N)Oc1ccc(C[NH2+]CCCN2CCC[C@H](C(N)=O)C2)cc1	ZINC000105474363	595308083	/nfs/dbraw/zinc/30/80/83/595308083.db2.gz	WGVPROVORSYTDX-WBVHZDCISA-N	1	3	344.459	1.654	20	30		EDEDHO
CN(C(=O)C#CC1CC[NH2+]CC1)[C@H]1CCN(Cc2ccccc2)C1	ZINC000852883383	595596675	/nfs/dbraw/zinc/59/66/75/595596675.db2.gz	JYVXFOODZQISOX-IBGZPJMESA-N	1	3	325.456	1.722	20	30		EDEDHO
CN(C)[C@@H](CNC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N)c1ccccc1	ZINC000884177082	598015634	/nfs/dbraw/zinc/01/56/34/598015634.db2.gz	ZVNVESYIIUPJRD-VIHIWDAPSA-N	1	3	326.444	1.545	20	30		EDEDHO
C=C(C)CCN1CC(N2CCN(C(=O)CC[C@@H]3CCC[N@H+]3C)CC2)C1	ZINC000941442965	701542646	/nfs/dbraw/zinc/54/26/46/701542646.db2.gz	HSEHTZCADKWEGF-SFHVURJKSA-N	1	3	348.535	1.655	20	30		EDEDHO
C=C(C)CCN1CC(N2CCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)CC2)C1	ZINC000941442965	701542647	/nfs/dbraw/zinc/54/26/47/701542647.db2.gz	HSEHTZCADKWEGF-SFHVURJKSA-N	1	3	348.535	1.655	20	30		EDEDHO
C#CCN1CCC(C(=O)N[C@H](C)C2CC[NH+]([C@@H](C)COC)CC2)CC1	ZINC000997435707	703665325	/nfs/dbraw/zinc/66/53/25/703665325.db2.gz	ZLARLOOCQRZJAQ-DLBZAZTESA-N	1	3	349.519	1.583	20	30		EDEDHO
C#CCN1CCC(C(=O)N[C@@H](C)C2CC[NH+]([C@@H](C)COC)CC2)CC1	ZINC000997875374	704779672	/nfs/dbraw/zinc/77/96/72/704779672.db2.gz	ZLARLOOCQRZJAQ-IRXDYDNUSA-N	1	3	349.519	1.583	20	30		EDEDHO
C#CCN1CCC(C2(NC(=O)[C@H]3CC[C@@H]4CCCC[N@H+]34)CC2)CC1	ZINC001000187158	707824260	/nfs/dbraw/zinc/82/42/60/707824260.db2.gz	ZRKGOFQTKGKIQF-ZWKOTPCHSA-N	1	3	329.488	1.997	20	30		EDEDHO
C#CCN1CCC(C2(NC(=O)[C@H]3CC[C@@H]4CCCC[N@@H+]34)CC2)CC1	ZINC001000187158	707824264	/nfs/dbraw/zinc/82/42/64/707824264.db2.gz	ZRKGOFQTKGKIQF-ZWKOTPCHSA-N	1	3	329.488	1.997	20	30		EDEDHO
C=CCN(CC=C)[C@@H](CNC(=O)[C@]1(CCOC)CC[NH2+]C1)C(C)C	ZINC000378200955	250298687	/nfs/dbraw/zinc/29/86/87/250298687.db2.gz	CYLOPJPOKIOLDP-HKUYNNGSSA-N	1	3	337.508	1.817	20	30		EDEDHO
COc1ccc([C@@H](CNC(=O)[C@@H]([NH3+])CCCC#N)N2CCCC2)cc1	ZINC000424127596	252134415	/nfs/dbraw/zinc/13/44/15/252134415.db2.gz	BDNXMMLWLQVIPW-ZWKOTPCHSA-N	1	3	344.459	1.969	20	30		EDEDHO
C#CCN1CCC(C(=O)N(CC[NH+](C)C)Cc2ccccn2)CC1	ZINC000490590105	255093557	/nfs/dbraw/zinc/09/35/57/255093557.db2.gz	NMTRDDRZMDTLKZ-UHFFFAOYSA-N	1	3	328.460	1.317	20	30		EDEDHO
Cn1cc(C[NH2+]CC2(O)CCN(C)CC2)c(-c2ccc(C#N)cc2)n1	ZINC000272138276	140407212	/nfs/dbraw/zinc/40/72/12/140407212.db2.gz	BHKUUCJTDLETRW-UHFFFAOYSA-N	1	3	339.443	1.505	20	30		EDEDHO
CCN(C[C@@H](C)C#N)C(=O)CN(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1	ZINC000378295394	447416093	/nfs/dbraw/zinc/41/60/93/447416093.db2.gz	PTSYQINAQBUJAK-FUHWJXTLSA-N	1	3	349.523	1.095	20	30		EDEDHO
C[C@H](CNC(=[NH2+])N[C@@H]1CCOc2ccccc21)CN1CCN(C)CC1	ZINC000083032492	441348607	/nfs/dbraw/zinc/34/86/07/441348607.db2.gz	MGQMURQSWQMSEI-NVXWUHKLSA-N	1	3	345.491	1.298	20	30		EDEDHO
C=CCc1ccc(OC[C@@H](O)C[N@H+]2C[C@H]3CN(C)C[C@H]3C2)c(OC)c1	ZINC000193650725	442764127	/nfs/dbraw/zinc/76/41/27/442764127.db2.gz	IUKJUMWHLFDQKG-KSZLIROESA-N	1	3	346.471	1.657	20	30		EDEDHO
C=CCc1ccc(OC[C@@H](O)C[N@@H+]2C[C@H]3CN(C)C[C@H]3C2)c(OC)c1	ZINC000193650725	442764128	/nfs/dbraw/zinc/76/41/28/442764128.db2.gz	IUKJUMWHLFDQKG-KSZLIROESA-N	1	3	346.471	1.657	20	30		EDEDHO
CCN1CCC[C@@H]1CNC(=[NH2+])NCc1nc(-c2ccccc2)c[nH]1	ZINC000264126040	443250831	/nfs/dbraw/zinc/25/08/31/443250831.db2.gz	WPHKNQDLLVSSOE-OAHLLOKOSA-N	1	3	326.448	1.965	20	30		EDEDHO
CCN1CCC[C@@H]1CNC(=[NH2+])NCc1cccc(-n2cncn2)c1	ZINC000267431694	443454785	/nfs/dbraw/zinc/45/47/85/443454785.db2.gz	MSPQMVVTBRRAPG-MRXNPFEDSA-N	1	3	327.436	1.156	20	30		EDEDHO
CN1CCN(CCNC(=[NH2+])Nc2cc(F)ccc2F)CC1(C)C	ZINC000288746695	443971661	/nfs/dbraw/zinc/97/16/61/443971661.db2.gz	QAIGLTAMGAQJCX-UHFFFAOYSA-N	1	3	325.407	1.717	20	30		EDEDHO
C=CCN1CCC(NC(=O)NC[C@@H](O)C[NH+]2CCC(C)CC2)CC1	ZINC000304023392	444240772	/nfs/dbraw/zinc/24/07/72/444240772.db2.gz	YTPBEZYCVISAKS-QGZVFWFLSA-N	1	3	338.496	1.029	20	30		EDEDHO
C[C@@H](O)[C@@H]1C[C@H](C)CCN1CC#CC[N@@H+]1CC[C@H](C)C[C@@H]1[C@H](C)O	ZINC000342153844	444537712	/nfs/dbraw/zinc/53/77/12/444537712.db2.gz	CJUHZASVLZBAOR-XETNVZRVSA-N	1	3	336.520	1.952	20	30		EDEDHO
C[C@@H](O)[C@@H]1C[C@H](C)CCN1CC#CC[N@H+]1CC[C@H](C)C[C@@H]1[C@H](C)O	ZINC000342153844	444537718	/nfs/dbraw/zinc/53/77/18/444537718.db2.gz	CJUHZASVLZBAOR-XETNVZRVSA-N	1	3	336.520	1.952	20	30		EDEDHO
C[C@@H](O)[C@@H]1C[C@H](C)CC[N@H+]1CC#CCN1CC[C@H](C)C[C@@H]1[C@H](C)O	ZINC000342153844	444537723	/nfs/dbraw/zinc/53/77/23/444537723.db2.gz	CJUHZASVLZBAOR-XETNVZRVSA-N	1	3	336.520	1.952	20	30		EDEDHO
C[C@@H](O)[C@@H]1C[C@H](C)CC[N@@H+]1CC#CCN1CC[C@H](C)C[C@@H]1[C@H](C)O	ZINC000342153844	444537729	/nfs/dbraw/zinc/53/77/29/444537729.db2.gz	CJUHZASVLZBAOR-XETNVZRVSA-N	1	3	336.520	1.952	20	30		EDEDHO
C[C@@H](NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1cnn(C)c1	ZINC000329792960	444718806	/nfs/dbraw/zinc/71/88/06/444718806.db2.gz	AOVYDAIUOYTDOD-CQSZACIVSA-N	1	3	348.495	1.543	20	30		EDEDHO
C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N(CCN(C)C)Cc1cccc(C#N)c1	ZINC000362697810	445505449	/nfs/dbraw/zinc/50/54/49/445505449.db2.gz	FIICPROMOZKZGM-QAPCUYQASA-N	1	3	328.460	1.646	20	30		EDEDHO
C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N(CCN(C)C)Cc1cccc(C#N)c1	ZINC000362697810	445505454	/nfs/dbraw/zinc/50/54/54/445505454.db2.gz	FIICPROMOZKZGM-QAPCUYQASA-N	1	3	328.460	1.646	20	30		EDEDHO
OCC[C@@H]1CCCN(CC#CC[N@@H+]2CCC[C@H](CCO)CC2)CC1	ZINC000421020002	446990472	/nfs/dbraw/zinc/99/04/72/446990472.db2.gz	QPZULBPHBCVMSO-BGYRXZFFSA-N	1	3	336.520	1.959	20	30		EDEDHO
OCC[C@@H]1CCCN(CC#CC[N@H+]2CCC[C@H](CCO)CC2)CC1	ZINC000421020002	446990477	/nfs/dbraw/zinc/99/04/77/446990477.db2.gz	QPZULBPHBCVMSO-BGYRXZFFSA-N	1	3	336.520	1.959	20	30		EDEDHO
OCC[C@@H]1CCC[N@@H+](CC#CCN2CCC[C@H](CCO)CC2)CC1	ZINC000421020002	446990483	/nfs/dbraw/zinc/99/04/83/446990483.db2.gz	QPZULBPHBCVMSO-BGYRXZFFSA-N	1	3	336.520	1.959	20	30		EDEDHO
OCC[C@@H]1CCC[N@H+](CC#CCN2CCC[C@H](CCO)CC2)CC1	ZINC000421020002	446990490	/nfs/dbraw/zinc/99/04/90/446990490.db2.gz	QPZULBPHBCVMSO-BGYRXZFFSA-N	1	3	336.520	1.959	20	30		EDEDHO
C#CCN1CCC(C(=O)N(CC[NH+](C)C)Cc2ccsc2)CC1	ZINC000491337417	447997479	/nfs/dbraw/zinc/99/74/79/447997479.db2.gz	ABFPECIXMDLAPL-UHFFFAOYSA-N	1	3	333.501	1.984	20	30		EDEDHO
C[NH+]1CCC(CNCc2ccc(C#N)cc2F)(N2CCOCC2)CC1	ZINC000591263164	448300347	/nfs/dbraw/zinc/30/03/47/448300347.db2.gz	MFELAWXXUKZRSR-UHFFFAOYSA-N	1	3	346.450	1.584	20	30		EDEDHO
C=CCN1CCC(NC(=O)Nc2ccc3c(c2)OCC[NH2+]C3)CC1	ZINC000528722197	448646428	/nfs/dbraw/zinc/64/64/28/448646428.db2.gz	RTINEQUDSHZMQM-UHFFFAOYSA-N	1	3	330.432	1.941	20	30		EDEDHO
C=CCN(CCN1CC[NH2+]CC1)[C@H](C)c1cccc(-n2cnnn2)c1	ZINC000567896527	448781091	/nfs/dbraw/zinc/78/10/91/448781091.db2.gz	YJNJPPFBOUOJHY-MRXNPFEDSA-N	1	3	341.463	1.117	20	30		EDEDHO
Cc1ccccc1C[NH+]1CCC(NC[C@H](O)CN(C)CCC#N)CC1	ZINC000580048782	448938250	/nfs/dbraw/zinc/93/82/50/448938250.db2.gz	OBTINRVBCNQNFU-FQEVSTJZSA-N	1	3	344.503	1.755	20	30		EDEDHO
CC#CC[C@@H](CO)NC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1	ZINC000655160677	453277339	/nfs/dbraw/zinc/27/73/39/453277339.db2.gz	LTUOPEBIXDJWJD-KRWDZBQOSA-N	1	3	335.492	1.073	20	30		EDEDHO
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C	ZINC000664805505	453415540	/nfs/dbraw/zinc/41/55/40/453415540.db2.gz	FPVVAGCQLMAGJE-ULQDDVLXSA-N	1	3	340.512	1.539	20	30		EDEDHO
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C	ZINC000664805505	453415554	/nfs/dbraw/zinc/41/55/54/453415554.db2.gz	FPVVAGCQLMAGJE-ULQDDVLXSA-N	1	3	340.512	1.539	20	30		EDEDHO
C=CC[C@]1(C(=O)NCCc2ccc(OCCN(C)C)cc2)CCC[NH2+]1	ZINC000662716563	453440287	/nfs/dbraw/zinc/44/02/87/453440287.db2.gz	DNNVIUYVANEVLN-HXUWFJFHSA-N	1	3	345.487	1.984	20	30		EDEDHO
CCN1CCC[C@@H]1CNC(=[NH2+])NCC1(N(C)C)Cc2ccccc2C1	ZINC000267387323	535550069	/nfs/dbraw/zinc/55/00/69/535550069.db2.gz	BYPZDESYXHUXNH-GOSISDBHSA-N	1	3	343.519	1.474	20	30		EDEDHO
C#CCCN1CCC(NC(=O)[C@@H]([NH2+]C2CCOCC2)C(C)C)CC1	ZINC000743490520	579481753	/nfs/dbraw/zinc/48/17/53/579481753.db2.gz	QUJXQGSSBFFHEC-SFHVURJKSA-N	1	3	335.492	1.384	20	30		EDEDHO
CSCCC[NH+]=C(NC[C@@H]1CN2CCC[C@H]2CO1)NC(C)(C)C	ZINC000912508452	593101286	/nfs/dbraw/zinc/10/12/86/593101286.db2.gz	NXFOPBIBSWDFIF-LSDHHAIUSA-N	1	3	342.553	1.936	20	30		EDEDHO
C#CCCOc1ccc(C(=O)N(CCN(C)C)CC[NH+](C)C)cc1	ZINC000823124072	594156698	/nfs/dbraw/zinc/15/66/98/594156698.db2.gz	JWZBJHXBSFIBFY-UHFFFAOYSA-N	1	3	331.460	1.654	20	30		EDEDHO
CC[NH+]1CCN(c2cccc(NC(=O)N[C@H]3CNC[C@@H]3C#N)c2)CC1	ZINC000841194569	594866799	/nfs/dbraw/zinc/86/67/99/594866799.db2.gz	MTUUASCRQWSIDG-YOEHRIQHSA-N	1	3	342.447	1.062	20	30		EDEDHO
CCN(C)Cc1cc(O[C@H]2CC[N@H+](CCO[C@@H](C)C#N)C2)ccn1	ZINC000856584494	596023034	/nfs/dbraw/zinc/02/30/34/596023034.db2.gz	KYWMKXZLUCWXCC-YJBOKZPZSA-N	1	3	332.448	1.915	20	30		EDEDHO
CCN(C)Cc1cc(O[C@H]2CC[N@@H+](CCO[C@@H](C)C#N)C2)ccn1	ZINC000856584494	596023036	/nfs/dbraw/zinc/02/30/36/596023036.db2.gz	KYWMKXZLUCWXCC-YJBOKZPZSA-N	1	3	332.448	1.915	20	30		EDEDHO
N#Cc1ccccc1N1CCC(NC[C@H](O)C[NH+]2CCCC2)CC1	ZINC000872222603	596841908	/nfs/dbraw/zinc/84/19/08/596841908.db2.gz	YDRAHKNZBNORGV-SFHVURJKSA-N	1	3	328.460	1.573	20	30		EDEDHO
N#C[C@@H]1CNCC12CC(C(=O)N1CCC[C@H]([NH+]3CCCC3)CC1)C2	ZINC000884224377	598035627	/nfs/dbraw/zinc/03/56/27/598035627.db2.gz	OHXSJBUBOSSRDP-ISXWCOSWSA-N	1	3	330.476	1.603	20	30		EDEDHO
C#CCN1CCC(C(=O)N2C[C@H]([NH2+]Cc3cccnc3)[C@@H](C)C2)CC1	ZINC000939808780	699957385	/nfs/dbraw/zinc/95/73/85/699957385.db2.gz	GSKJNVMPVYMTNJ-LPHOPBHVSA-N	1	3	340.471	1.363	20	30		EDEDHO
C#CCN1CCC(C(=O)N[C@@H]2CC[N@@H+](CCOC)CC2(C)C)CC1	ZINC000941237542	701428118	/nfs/dbraw/zinc/42/81/18/701428118.db2.gz	OQCFBNNZPHPNRL-QGZVFWFLSA-N	1	3	335.492	1.195	20	30		EDEDHO
C#CCN1CCC(C(=O)N[C@@H]2CC[N@H+](CCOC)CC2(C)C)CC1	ZINC000941237542	701428119	/nfs/dbraw/zinc/42/81/19/701428119.db2.gz	OQCFBNNZPHPNRL-QGZVFWFLSA-N	1	3	335.492	1.195	20	30		EDEDHO
C[N@@H+]1CC[C@H](C(=O)NCC2CCN(Cc3ccc(C#N)cc3)CC2)C1	ZINC001002121970	708635961	/nfs/dbraw/zinc/63/59/61/708635961.db2.gz	WZSIFRHHOMIFIV-IBGZPJMESA-N	1	3	340.471	1.838	20	30		EDEDHO
C[N@H+]1CC[C@H](C(=O)NCC2CCN(Cc3ccc(C#N)cc3)CC2)C1	ZINC001002121970	708635964	/nfs/dbraw/zinc/63/59/64/708635964.db2.gz	WZSIFRHHOMIFIV-IBGZPJMESA-N	1	3	340.471	1.838	20	30		EDEDHO
C#CCCN1CC[C@H](N(CC)C(=O)c2ccn(CC[NH+](C)C)n2)C1	ZINC001033838111	708867976	/nfs/dbraw/zinc/86/79/76/708867976.db2.gz	PHDRJQOIGKOOEA-INIZCTEOSA-N	1	3	331.464	1.004	20	30		EDEDHO
CCO[C@@H]1C[C@@H](NC(=[NH2+])NC[C@@H]2CCCN2CC)C12CCOCC2	ZINC000248629318	442910536	/nfs/dbraw/zinc/91/05/36/442910536.db2.gz	GGYXIJVCZGPNGK-ARFHVFGLSA-N	1	3	338.496	1.349	20	30		EDEDHO
C[NH+]=C(NCc1cn2ccccc2n1)N1CC[C@@H](N2CCCCC2)C1	ZINC000262484522	443197769	/nfs/dbraw/zinc/19/77/69/443197769.db2.gz	SICWKZYGTNTZLZ-QGZVFWFLSA-N	1	3	340.475	1.970	20	30		EDEDHO
CCN1CCC(NC(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)CC1	ZINC000330177231	444874683	/nfs/dbraw/zinc/87/46/83/444874683.db2.gz	KNSWQUMXAYKBOE-SJORKVTESA-N	1	3	338.496	1.352	20	30		EDEDHO
C[NH+](C)CCCN(CCC#N)C(=O)Nc1ccc2c(c1)CNCCO2	ZINC000415969853	447528403	/nfs/dbraw/zinc/52/84/03/447528403.db2.gz	HJLWZMLBEZKVOL-UHFFFAOYSA-N	1	3	345.447	1.868	20	30		EDEDHO
N#CCCCC[C@H]([NH3+])C(=O)NCC1CCN(Cc2ccncc2)CC1	ZINC000595938972	449267588	/nfs/dbraw/zinc/26/75/88/449267588.db2.gz	SEXBAYHKIUFZPX-SFHVURJKSA-N	1	3	343.475	1.821	20	30		EDEDHO
CN1CCN(c2ccncc2NC(=O)[C@H]([NH3+])CCCCC#N)CC1	ZINC000594438534	449518678	/nfs/dbraw/zinc/51/86/78/449518678.db2.gz	JXJSELHWEQLDPU-CQSZACIVSA-N	1	3	330.436	1.183	20	30		EDEDHO
C=CCN1CCC(NC(=O)N2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)CC1	ZINC000626969811	451040793	/nfs/dbraw/zinc/04/07/93/451040793.db2.gz	APSHSABEBOUVCB-JSGCOSHPSA-N	1	3	348.413	1.806	20	30		EDEDHO
C[C@@H]1CCCN(CC#CC[N@@H+]2CCC[C@H](C)[C@H]2CCO)[C@H]1CCO	ZINC000661498482	452300556	/nfs/dbraw/zinc/30/05/56/452300556.db2.gz	LTPLETAPXVGUBF-JVSBHGNQSA-N	1	3	336.520	1.956	20	30		EDEDHO
C[C@@H]1CCCN(CC#CC[N@H+]2CCC[C@H](C)[C@H]2CCO)[C@H]1CCO	ZINC000661498482	452300569	/nfs/dbraw/zinc/30/05/69/452300569.db2.gz	LTPLETAPXVGUBF-JVSBHGNQSA-N	1	3	336.520	1.956	20	30		EDEDHO
C[C@@H]1CCC[N@@H+](CC#CCN2CCC[C@H](C)[C@H]2CCO)[C@H]1CCO	ZINC000661498482	452300579	/nfs/dbraw/zinc/30/05/79/452300579.db2.gz	LTPLETAPXVGUBF-JVSBHGNQSA-N	1	3	336.520	1.956	20	30		EDEDHO
C[C@@H]1CCC[N@H+](CC#CCN2CCC[C@H](C)[C@H]2CCO)[C@H]1CCO	ZINC000661498482	452300590	/nfs/dbraw/zinc/30/05/90/452300590.db2.gz	LTPLETAPXVGUBF-JVSBHGNQSA-N	1	3	336.520	1.956	20	30		EDEDHO
C=CC[C@@]1(C(=O)NCC2(N3CCCCC3)CCOCC2)CCC[NH2+]1	ZINC000662732713	453459438	/nfs/dbraw/zinc/45/94/38/453459438.db2.gz	NPPNCGULRAUACE-IBGZPJMESA-N	1	3	335.492	1.836	20	30		EDEDHO
C[NH+]1CCC(CN[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1	ZINC000893475307	590894691	/nfs/dbraw/zinc/89/46/91/590894691.db2.gz	MRNMAHOUWBOLHW-SFHVURJKSA-N	1	3	326.444	1.985	20	30		EDEDHO
Cc1cc(C#N)cc(C)c1CN1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1	ZINC000903476058	592176086	/nfs/dbraw/zinc/17/60/86/592176086.db2.gz	MHMBVAAOQLMQKH-JQHSSLGASA-N	1	3	340.427	1.542	20	30		EDEDHO
C=C(C[NH+](C)C)C(=O)N1CCO[C@@H]2CCN(Cc3ccccc3)C[C@@H]21	ZINC000846444743	595234249	/nfs/dbraw/zinc/23/42/49/595234249.db2.gz	WLSGQSUNJHMTQH-RBUKOAKNSA-N	1	3	343.471	1.606	20	30		EDEDHO
N#C[C@H]1CNCC12CC(C(=O)N1CCC[C@H](C3CC[NH2+]CC3)C1)C2	ZINC000884396150	598092247	/nfs/dbraw/zinc/09/22/47/598092247.db2.gz	VTYDFNVMSGGQQG-WPZCVXBKSA-N	1	3	330.476	1.364	20	30		EDEDHO
C=C(C)CCN1CC(N2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)CC2)C1	ZINC000941410369	701516971	/nfs/dbraw/zinc/51/69/71/701516971.db2.gz	FCXHVIHFTPNMQT-IBGZPJMESA-N	1	3	346.519	1.123	20	30		EDEDHO
C=C(Br)C[NH2+]C1CCN(C(=O)CN2CCCC2)CC1	ZINC000997307101	703565530	/nfs/dbraw/zinc/56/55/30/703565530.db2.gz	PBGNPAZOQRUZIV-UHFFFAOYSA-N	1	3	330.270	1.571	20	30		EDEDHO
C#CCN1CCC(C(=O)N2CCC([NH2+]Cc3ccns3)CC2)CC1	ZINC000997362714	703596681	/nfs/dbraw/zinc/59/66/81/703596681.db2.gz	BLMSQGRNVCUZMS-UHFFFAOYSA-N	1	3	346.500	1.569	20	30		EDEDHO
C#CCN1CCC(C(=O)N2CCC([NH2+]Cc3conc3C)CC2)CC1	ZINC000997364915	703598251	/nfs/dbraw/zinc/59/82/51/703598251.db2.gz	OTNZXNABZNOXRS-UHFFFAOYSA-N	1	3	344.459	1.409	20	30		EDEDHO
C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CN4CCC[C@@H]4CO3)CC[C@@H]2C1	ZINC000946597704	704292884	/nfs/dbraw/zinc/29/28/84/704292884.db2.gz	HDZICFQSQMLJPP-HCXYKTFWSA-N	1	3	345.487	1.043	20	30		EDEDHO
C#CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CN4CCC[C@@H]4CO3)CC[C@@H]2C1	ZINC000946597704	704292886	/nfs/dbraw/zinc/29/28/86/704292886.db2.gz	HDZICFQSQMLJPP-HCXYKTFWSA-N	1	3	345.487	1.043	20	30		EDEDHO
CC#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CN4CCC[C@@H]4CO3)CC[C@@H]2C1	ZINC000946597963	704309334	/nfs/dbraw/zinc/30/93/34/704309334.db2.gz	SCUQFUNPLFROKZ-HCXYKTFWSA-N	1	3	345.487	1.043	20	30		EDEDHO
CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CN4CCC[C@@H]4CO3)CC[C@@H]2C1	ZINC000946597963	704309335	/nfs/dbraw/zinc/30/93/35/704309335.db2.gz	SCUQFUNPLFROKZ-HCXYKTFWSA-N	1	3	345.487	1.043	20	30		EDEDHO
C=C(Br)CNC1CC(N(C)C(=O)[C@@H]2CC[N@H+](C)C2)C1	ZINC000999832183	707462709	/nfs/dbraw/zinc/46/27/09/707462709.db2.gz	PXEWQJRWVFMFQC-PNESKVBLSA-N	1	3	330.270	1.426	20	30		EDEDHO
C=C(Br)CNC1CC(N(C)C(=O)[C@@H]2CC[N@@H+](C)C2)C1	ZINC000999832183	707462711	/nfs/dbraw/zinc/46/27/11/707462711.db2.gz	PXEWQJRWVFMFQC-PNESKVBLSA-N	1	3	330.270	1.426	20	30		EDEDHO
C#CCN1CCC(C(=O)NCC2CC[NH+](C[C@H](F)CC)CC2)CC1	ZINC001002145977	708660126	/nfs/dbraw/zinc/66/01/26/708660126.db2.gz	VJANUKDDHYJALJ-GOSISDBHSA-N	1	3	337.483	1.908	20	30		EDEDHO
N#CCCC[C@@H]([NH3+])C(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1	ZINC000424176260	252154349	/nfs/dbraw/zinc/15/43/49/252154349.db2.gz	RRNLDPZIJLADKA-QZTJIDSGSA-N	1	3	344.459	1.415	20	30		EDEDHO
CC[C@H](CNC(=O)[C@@H]([NH3+])CCCC#N)N1CCc2ccccc2C1	ZINC000424132921	252135627	/nfs/dbraw/zinc/13/56/27/252135627.db2.gz	LHERRYCZBKMTEZ-MSOLQXFVSA-N	1	3	328.460	1.961	20	30		EDEDHO
C[NH+]1CCC(N2CCC(NC(=O)Cc3cccc(C#N)c3)CC2)CC1	ZINC000531147772	267331520	/nfs/dbraw/zinc/33/15/20/267331520.db2.gz	CGJXUJZQRKGCDM-UHFFFAOYSA-N	1	3	340.471	1.776	20	30		EDEDHO
C[C@H](C(=O)Nc1ccccc1C#N)N(C)CCC[NH+]1CCN(C)CC1	ZINC000174718561	441957539	/nfs/dbraw/zinc/95/75/39/441957539.db2.gz	LIOARVUITVJMAR-MRXNPFEDSA-N	1	3	343.475	1.455	20	30		EDEDHO
COC[C@@H](C)NC(=[NH2+])NC[C@H]1CN(Cc2ccccc2)CCCO1	ZINC000190535569	443130889	/nfs/dbraw/zinc/13/08/89/443130889.db2.gz	WZZRMAJPIXLEQD-WBVHZDCISA-N	1	3	334.464	1.217	20	30		EDEDHO
C[NH+]=C(NCc1cccc(CN2CCC[C@H](C(N)=O)C2)c1)NC1CC1	ZINC000264798845	443430733	/nfs/dbraw/zinc/43/07/33/443430733.db2.gz	XQHMLWGBGZBLHH-INIZCTEOSA-N	1	3	343.475	1.211	20	30		EDEDHO
C=CCN(CC=C)C(=O)C[NH2+][C@H]1CCN(CCCOCC)C[C@H]1C	ZINC000274847458	443612472	/nfs/dbraw/zinc/61/24/72/443612472.db2.gz	OCAJLCYVXDRFTN-MSOLQXFVSA-N	1	3	337.508	1.914	20	30		EDEDHO
C#CCN(C)CCCNC(=O)NCC1CCN(c2cc[nH+]cc2)CC1	ZINC000296798724	444255042	/nfs/dbraw/zinc/25/50/42/444255042.db2.gz	HXPHRANTHPIYMD-UHFFFAOYSA-N	1	3	343.475	1.552	20	30		EDEDHO
C[C@@H]1CC[C@](CO)(N(C)CC#CC[N@H+](C)[C@@]2(CO)CC[C@@H](C)C2)C1	ZINC000342168984	444545944	/nfs/dbraw/zinc/54/59/44/444545944.db2.gz	OVNOUZSETNDTFY-ZRNYENFQSA-N	1	3	336.520	1.956	20	30		EDEDHO
C[C@@H]1CC[C@](CO)(N(C)CC#CC[N@@H+](C)[C@@]2(CO)CC[C@@H](C)C2)C1	ZINC000342168984	444545947	/nfs/dbraw/zinc/54/59/47/444545947.db2.gz	OVNOUZSETNDTFY-ZRNYENFQSA-N	1	3	336.520	1.956	20	30		EDEDHO
CN(CCCN(C)CC(=O)NC1(C#N)CCCCC1)CC[NH+](C)C	ZINC000344026444	444737259	/nfs/dbraw/zinc/73/72/59/444737259.db2.gz	JUXMUTAORLRZRL-UHFFFAOYSA-N	1	3	337.512	1.144	20	30		EDEDHO
CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCCC[NH2+]C1	ZINC000418367660	446517079	/nfs/dbraw/zinc/51/70/79/446517079.db2.gz	KYQJIGCECQCODJ-GOSISDBHSA-N	1	3	343.475	1.774	20	30		EDEDHO
C=CC[C@@]1(C(=O)N2CC[C@@H](N3CCN(C(C)C)CC3)C2)CCC[NH2+]1	ZINC000595946226	449273221	/nfs/dbraw/zinc/27/32/21/449273221.db2.gz	BPKPDHIVTKNMDM-MJGOQNOKSA-N	1	3	334.508	1.312	20	30		EDEDHO
N#Cc1ccc(C2([NH2+]C[C@@H]3CCC4(CNC4)O3)CCOCC2)cc1	ZINC000600740534	449527457	/nfs/dbraw/zinc/52/74/57/449527457.db2.gz	IZTGFAKGZFDWMK-KRWDZBQOSA-N	1	3	327.428	1.675	20	30		EDEDHO
CC(C)(C#N)C[C@@H](O)C[NH2+]Cc1ccccc1CN1CC[C@@H](O)C1	ZINC000598723100	449564432	/nfs/dbraw/zinc/56/44/32/449564432.db2.gz	DUYVINVHMHHXPR-QZTJIDSGSA-N	1	3	331.460	1.644	20	30		EDEDHO
C[C@H](CC1(C#N)CCOCC1)[NH2+][C@H]1CCN(C2CCN(C)CC2)C1	ZINC000602549442	449667915	/nfs/dbraw/zinc/66/79/15/449667915.db2.gz	VVQLQVTYOVMUKB-SJORKVTESA-N	1	3	334.508	1.843	20	30		EDEDHO
CC(C#N)S(=O)(=O)c1ccc(NC(=O)NCC23CC(C2)C[NH2+]3)cc1	ZINC000595231914	449962112	/nfs/dbraw/zinc/96/21/12/449962112.db2.gz	HUJMHGHALCXTJU-OPGSHWCFSA-N	1	3	348.428	1.246	20	30		EDEDHO
C=C(CN(C)C)C(=O)NCc1ccccc1C[N@@H+]1CCC[C@H]1CO	ZINC000764662554	580126109	/nfs/dbraw/zinc/12/61/09/580126109.db2.gz	ACFOWLFQZZOHLR-SFHVURJKSA-N	1	3	331.460	1.377	20	30		EDEDHO
C=C(CN(C)C)C(=O)NCc1ccccc1C[N@H+]1CCC[C@H]1CO	ZINC000764662554	580126110	/nfs/dbraw/zinc/12/61/10/580126110.db2.gz	ACFOWLFQZZOHLR-SFHVURJKSA-N	1	3	331.460	1.377	20	30		EDEDHO
C#CC[C@H]1CCCN(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C1	ZINC000825906614	594274813	/nfs/dbraw/zinc/27/48/13/594274813.db2.gz	GDSGXTYPABMZMQ-KRWDZBQOSA-N	1	3	346.519	1.990	20	30		EDEDHO
C#C[C@@H](NC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1)[C@@H]1CCCO1	ZINC000847757526	595479715	/nfs/dbraw/zinc/47/97/15/595479715.db2.gz	AJPQHGOXOBRCLH-MOPGFXCFSA-N	1	3	347.503	1.480	20	30		EDEDHO
C=C(Cl)C[C@@H](N)C(=O)NCc1cccc(OCC[NH+](C)C)c1	ZINC000876719237	597303520	/nfs/dbraw/zinc/30/35/20/597303520.db2.gz	GLWQIEIRJLDSKF-OAHLLOKOSA-N	1	3	325.840	1.713	20	30		EDEDHO
N#C[C@H]1CNCC12CC(C(=O)NC[C@H]1CCC[N@H+](CC3CC3)C1)C2	ZINC000884421697	598100571	/nfs/dbraw/zinc/10/05/71/598100571.db2.gz	BNOSJPZUDZOIFN-XNGIKWSVSA-N	1	3	330.476	1.364	20	30		EDEDHO
N#C[C@H]1CNCC12CC(C(=O)NC[C@H]1CCC[N@@H+](CC3CC3)C1)C2	ZINC000884421697	598100575	/nfs/dbraw/zinc/10/05/75/598100575.db2.gz	BNOSJPZUDZOIFN-XNGIKWSVSA-N	1	3	330.476	1.364	20	30		EDEDHO
C#CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CN3CC4CC3(C4)CO2)C(C)(C)C1	ZINC000940901662	700976639	/nfs/dbraw/zinc/97/66/39/700976639.db2.gz	PVPDEXXFZAVDDS-ZEVUXNIQSA-N	1	3	345.487	1.090	20	30		EDEDHO
C#CCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CN3CC4CC3(C4)CO2)C(C)(C)C1	ZINC000940901662	700976640	/nfs/dbraw/zinc/97/66/40/700976640.db2.gz	PVPDEXXFZAVDDS-ZEVUXNIQSA-N	1	3	345.487	1.090	20	30		EDEDHO
C#CCN1CCC(C(=O)N[C@@H](C)C2CC[NH+](CC#CC)CC2)CC1	ZINC000997873957	704778792	/nfs/dbraw/zinc/77/87/92/704778792.db2.gz	IIBRVRIDDQLXJJ-KRWDZBQOSA-N	1	3	329.488	1.572	20	30		EDEDHO
C#CCN1CCC(C(=O)N[C@@H]2CCCC[N@@H+]([C@H](C)COC)C2)CC1	ZINC001034539182	710212861	/nfs/dbraw/zinc/21/28/61/710212861.db2.gz	WSJAVYUGGUNWGV-SJLPKXTDSA-N	1	3	335.492	1.337	20	30		EDEDHO
C#CCN1CCC(C(=O)N[C@@H]2CCCC[N@H+]([C@H](C)COC)C2)CC1	ZINC001034539182	710212863	/nfs/dbraw/zinc/21/28/63/710212863.db2.gz	WSJAVYUGGUNWGV-SJLPKXTDSA-N	1	3	335.492	1.337	20	30		EDEDHO
COc1ccc([C@H](CNC(=O)[C@@H]([NH3+])CCCC#N)N2CCCC2)cc1	ZINC000424127594	252133915	/nfs/dbraw/zinc/13/39/15/252133915.db2.gz	BDNXMMLWLQVIPW-ROUUACIJSA-N	1	3	344.459	1.969	20	30		EDEDHO
CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@H](c1cccc(OC)c1)N(C)C	ZINC000264056203	443247035	/nfs/dbraw/zinc/24/70/35/443247035.db2.gz	AXLBXDREQOTHLS-SJLPKXTDSA-N	1	3	347.507	1.687	20	30		EDEDHO
COc1ccc(CNC(=[NH2+])NCC2(N(C)C)CCCC2)cc1OC	ZINC000264062105	443247499	/nfs/dbraw/zinc/24/74/99/443247499.db2.gz	CZCITUFWAPZNKR-UHFFFAOYSA-N	1	3	334.464	1.983	20	30		EDEDHO
CC[C@H](CNC(=[NH2+])NCc1ccc(OC)c(OC)c1)N1CCCC1	ZINC000264098978	443248623	/nfs/dbraw/zinc/24/86/23/443248623.db2.gz	NNWFRDKHXLATLF-OAHLLOKOSA-N	1	3	334.464	1.983	20	30		EDEDHO
CCN1CCC[C@@H]1CNC(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1	ZINC000330233791	444899987	/nfs/dbraw/zinc/89/99/87/444899987.db2.gz	SHNBGHYJQYFTMX-ZACQAIPSSA-N	1	3	338.496	1.352	20	30		EDEDHO
C[C@@H]([NH2+]CCCCN1CCN(CCO)CC1)c1ccc(C#N)cc1F	ZINC000358574274	445658091	/nfs/dbraw/zinc/65/80/91/445658091.db2.gz	RSEUAQAZUPOPFE-MRXNPFEDSA-N	1	3	348.466	1.738	20	30		EDEDHO
CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCC1(C#N)CCC1	ZINC000419624966	447304549	/nfs/dbraw/zinc/30/45/49/447304549.db2.gz	KWRQGPSZVIQVSI-INIZCTEOSA-N	1	3	335.496	1.738	20	30		EDEDHO
CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCC1(C#N)CCC1	ZINC000419624966	447304554	/nfs/dbraw/zinc/30/45/54/447304554.db2.gz	KWRQGPSZVIQVSI-INIZCTEOSA-N	1	3	335.496	1.738	20	30		EDEDHO
C=C[C@@H]1OCC[C@H]1NC(=O)N(CCN(C)C)C[C@@H]1CCC[N@H+]1CC	ZINC000459036804	447547217	/nfs/dbraw/zinc/54/72/17/447547217.db2.gz	UIOKQJFEQYKZEC-BBWFWOEESA-N	1	3	338.496	1.387	20	30		EDEDHO
C=C[C@@H]1OCC[C@H]1NC(=O)N(CCN(C)C)C[C@@H]1CCC[N@@H+]1CC	ZINC000459036804	447547218	/nfs/dbraw/zinc/54/72/18/447547218.db2.gz	UIOKQJFEQYKZEC-BBWFWOEESA-N	1	3	338.496	1.387	20	30		EDEDHO
CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCC(C)(C)CC#N	ZINC000459262188	447626069	/nfs/dbraw/zinc/62/60/69/447626069.db2.gz	UIDUHAHDIHKDKF-MRXNPFEDSA-N	1	3	337.512	1.984	20	30		EDEDHO
CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCC(C)(C)CC#N	ZINC000459262188	447626073	/nfs/dbraw/zinc/62/60/73/447626073.db2.gz	UIDUHAHDIHKDKF-MRXNPFEDSA-N	1	3	337.512	1.984	20	30		EDEDHO
C#CCN(C)CCCNC(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000491778963	448119082	/nfs/dbraw/zinc/11/90/82/448119082.db2.gz	JPRVIASKLOCPJJ-LJQANCHMSA-N	1	3	342.487	1.763	20	30		EDEDHO
C#CCN(C)CCCNC(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000491778963	448119087	/nfs/dbraw/zinc/11/90/87/448119087.db2.gz	JPRVIASKLOCPJJ-LJQANCHMSA-N	1	3	342.487	1.763	20	30		EDEDHO
CN(CCC[NH+](C)C)CCNC(=O)C(C#N)Cc1ccc(C#N)cc1	ZINC000597989342	449172892	/nfs/dbraw/zinc/17/28/92/449172892.db2.gz	DXXZTEMYXROBDG-GOSISDBHSA-N	1	3	341.459	1.240	20	30		EDEDHO
CN1CCC(CNC(=O)[C@@H](N)CCCCC#N)([NH+]2CCCCC2)CC1	ZINC000594439473	449517462	/nfs/dbraw/zinc/51/74/62/449517462.db2.gz	QWJOCDOYBWLTEA-KRWDZBQOSA-N	1	3	349.523	1.464	20	30		EDEDHO
CN1CCC(C[NH2+]C[C@H](O)CC(C)(C)C#N)(N2CCCCC2)CC1	ZINC000598721282	449563181	/nfs/dbraw/zinc/56/31/81/449563181.db2.gz	UKQLIGDAYXRZEP-QGZVFWFLSA-N	1	3	336.524	1.827	20	30		EDEDHO
CCC1(N2CCOCC2)CCN(C(=O)[C@H]([NH3+])CCCCC#N)CC1	ZINC000602572058	449680845	/nfs/dbraw/zinc/68/08/45/449680845.db2.gz	JNAJLIMNWDCVDH-MRXNPFEDSA-N	1	3	336.480	1.501	20	30		EDEDHO
C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C	ZINC000665183028	453602863	/nfs/dbraw/zinc/60/28/63/453602863.db2.gz	TUDDLILSKZBGOI-JYJNAYRXSA-N	1	3	326.485	1.149	20	30		EDEDHO
C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C	ZINC000665183028	453602868	/nfs/dbraw/zinc/60/28/68/453602868.db2.gz	TUDDLILSKZBGOI-JYJNAYRXSA-N	1	3	326.485	1.149	20	30		EDEDHO
C#CCN1CCC[C@@H](NC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1	ZINC000905460849	592541478	/nfs/dbraw/zinc/54/14/78/592541478.db2.gz	OBCVYYGXBWSOMH-UXHICEINSA-N	1	3	327.472	1.311	20	30		EDEDHO
C#CCN1CCC[C@@H](NC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1	ZINC000905460849	592541481	/nfs/dbraw/zinc/54/14/81/592541481.db2.gz	OBCVYYGXBWSOMH-UXHICEINSA-N	1	3	327.472	1.311	20	30		EDEDHO
C=C(Cl)C[C@H](N)C(=O)N1CCC(OCC[NH+]2CCCC2)CC1	ZINC000876774392	597334805	/nfs/dbraw/zinc/33/48/05/597334805.db2.gz	UPCHCVLABYHXFS-HNNXBMFYSA-N	1	3	329.872	1.560	20	30		EDEDHO
CC(C)(C)CCN1CCN(C(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)CC1	ZINC000884197903	598024908	/nfs/dbraw/zinc/02/49/08/598024908.db2.gz	IHVUYMAALONYPR-KOHRHEQBSA-N	1	3	332.492	1.706	20	30		EDEDHO
C#CCCN1CCC[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@H]1C	ZINC000993371139	696021947	/nfs/dbraw/zinc/02/19/47/696021947.db2.gz	YPJUBPCKZNBFTN-CVEARBPZSA-N	1	3	331.464	1.051	20	30		EDEDHO
C[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1NCc1ccc(C#N)s1	ZINC000939545300	699687445	/nfs/dbraw/zinc/68/74/45/699687445.db2.gz	NNDDVYJHBLGVKF-XJKSGUPXSA-N	1	3	344.484	1.652	20	30		EDEDHO
C#CCN1CCC(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cccnc3)C2)CC1	ZINC000939808782	699957412	/nfs/dbraw/zinc/95/74/12/699957412.db2.gz	GSKJNVMPVYMTNJ-VQIMIIECSA-N	1	3	340.471	1.363	20	30		EDEDHO
C=C(C)CC[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1	ZINC001034321130	709771320	/nfs/dbraw/zinc/77/13/20/709771320.db2.gz	RRPLUKLMQFJMPS-NRGCRIOASA-N	1	3	347.503	1.787	20	30		EDEDHO
C=C(C)CC[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1	ZINC001034321130	709771324	/nfs/dbraw/zinc/77/13/24/709771324.db2.gz	RRPLUKLMQFJMPS-NRGCRIOASA-N	1	3	347.503	1.787	20	30		EDEDHO
C[C@H](N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)c1ccc(C#N)cc1F	ZINC000423455720	270012402	/nfs/dbraw/zinc/01/24/02/270012402.db2.gz	NBDZFGKOITZBLB-WILYLXEWSA-N	1	3	344.434	1.995	20	30		EDEDHO
C[NH+]=C(NCc1cccc(N(C)C)n1)N[C@H]1CN(C(C)C)C[C@@H]1C	ZINC000158484044	441739271	/nfs/dbraw/zinc/73/92/71/441739271.db2.gz	XSJNVANNQZHGAW-HOCLYGCPSA-N	1	3	332.496	1.541	20	30		EDEDHO
C#CCN1CCC(C(=O)N[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1	ZINC000184076865	442989562	/nfs/dbraw/zinc/98/95/62/442989562.db2.gz	SQCYJCUSKLPILC-PXNSSMCTSA-N	1	3	339.483	1.968	20	30		EDEDHO
C#CCN1CCC(C(=O)N[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)CC1	ZINC000184076865	442989565	/nfs/dbraw/zinc/98/95/65/442989565.db2.gz	SQCYJCUSKLPILC-PXNSSMCTSA-N	1	3	339.483	1.968	20	30		EDEDHO
C=CCOc1ccc(CN2CC[C@H](N3CC[NH2+]CC3)C2)cc1OC	ZINC000262099744	443183037	/nfs/dbraw/zinc/18/30/37/443183037.db2.gz	IPZBADNDOAUPMK-KRWDZBQOSA-N	1	3	331.460	1.740	20	30		EDEDHO
C[C@H](NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)[C@H]1CCOC1	ZINC000329371935	444553268	/nfs/dbraw/zinc/55/32/68/444553268.db2.gz	JDRZSHWXKNOEIA-GJZGRUSLSA-N	1	3	338.496	1.474	20	30		EDEDHO
C(#CCN1CC[NH+](C2CCC2)CC1)CN1CCN(C2CCC2)CC1	ZINC000341871539	445045676	/nfs/dbraw/zinc/04/56/76/445045676.db2.gz	DFNWPQFGWQMHTA-UHFFFAOYSA-N	1	3	330.520	1.330	20	30		EDEDHO
CN1CCC(CNC(=O)[C@H](N)CCCCC#N)([NH+]2CCCCC2)CC1	ZINC000594439474	449518593	/nfs/dbraw/zinc/51/85/93/449518593.db2.gz	QWJOCDOYBWLTEA-QGZVFWFLSA-N	1	3	349.523	1.464	20	30		EDEDHO
N#CCCCC[C@H]([NH3+])C(=O)Nc1cccc(CN2CCC(O)CC2)c1	ZINC000594440515	449519309	/nfs/dbraw/zinc/51/93/09/449519309.db2.gz	DSXXZPLDSAHQKD-SFHVURJKSA-N	1	3	344.459	1.993	20	30		EDEDHO
N#CC1(C[C@@H](O)CN2CCC(C[NH+]3CCCC3)CC2)CCOCC1	ZINC000599264242	449842920	/nfs/dbraw/zinc/84/29/20/449842920.db2.gz	DCFQPMMLFBALHZ-GOSISDBHSA-N	1	3	335.492	1.866	20	30		EDEDHO
C[NH+]1CCC2(CCN(CC(=O)NCc3cccc(C#N)c3)C2)CC1	ZINC000602877769	449885606	/nfs/dbraw/zinc/88/56/06/449885606.db2.gz	PXNSUDSEUWYGOY-UHFFFAOYSA-N	1	3	326.444	1.592	20	30		EDEDHO
C[NH+](C)C[C@]1(O)CCCN(C(=O)C(C#N)CCc2ccccc2)C1	ZINC000597574299	450118161	/nfs/dbraw/zinc/11/81/61/450118161.db2.gz	OXXZSSFDMJXNGM-PKOBYXMFSA-N	1	3	329.444	1.674	20	30		EDEDHO
C#CCN1CCC(C(=O)N2CCN(c3cc[nH+]cc3)C[C@H]2C)CC1	ZINC000895275789	591696347	/nfs/dbraw/zinc/69/63/47/591696347.db2.gz	PEBZNRVFUOPNDF-MRXNPFEDSA-N	1	3	326.444	1.464	20	30		EDEDHO
CCN1C[C@]2(C[C@@H](O)[C@H]([NH2+]C[C@@H](O)CC(C)(C)C#N)C2)[C@H]1C(C)C	ZINC000905502480	592546017	/nfs/dbraw/zinc/54/60/17/592546017.db2.gz	KBQBBEWLDRRZPI-BMGDNIKJSA-N	1	3	337.508	1.747	20	30		EDEDHO
C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)COc1cccc(C#N)c1	ZINC000855346321	595680476	/nfs/dbraw/zinc/68/04/76/595680476.db2.gz	WTUKNMCGHJLVKT-HNNXBMFYSA-N	1	3	332.448	1.325	20	30		EDEDHO
C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)COc1cccc(C#N)c1	ZINC000855346321	595680477	/nfs/dbraw/zinc/68/04/77/595680477.db2.gz	WTUKNMCGHJLVKT-HNNXBMFYSA-N	1	3	332.448	1.325	20	30		EDEDHO
C#CCN1CCC(C(=O)N[C@H]2CC[N@@H+](CC3CC3)CC2(C)C)CC1	ZINC000941237283	701427809	/nfs/dbraw/zinc/42/78/09/701427809.db2.gz	KHQHDDMUQKNFMH-SFHVURJKSA-N	1	3	331.504	1.958	20	30		EDEDHO
C#CCN1CCC(C(=O)N[C@H]2CC[N@H+](CC3CC3)CC2(C)C)CC1	ZINC000941237283	701427810	/nfs/dbraw/zinc/42/78/10/701427810.db2.gz	KHQHDDMUQKNFMH-SFHVURJKSA-N	1	3	331.504	1.958	20	30		EDEDHO
C#CCN1CCC(C(=O)NCC2C[NH+](CC3CC(OCC)C3)C2)CC1	ZINC001032205541	702019312	/nfs/dbraw/zinc/01/93/12/702019312.db2.gz	AMADKRWPWKEAGP-UHFFFAOYSA-N	1	3	347.503	1.195	20	30		EDEDHO
C#CCN1CC[C@H](NC(=O)c2ccccc2CC[NH+](C)C)[C@@H](C)C1	ZINC000942530033	703030993	/nfs/dbraw/zinc/03/09/93/703030993.db2.gz	OKFJWBQMVLXLET-LPHOPBHVSA-N	1	3	327.472	1.864	20	30		EDEDHO
C#CCN1CCC(C(=O)N[C@@H](C)C2CC[NH+](C[C@@H](C)OC)CC2)CC1	ZINC000997873993	704778989	/nfs/dbraw/zinc/77/89/89/704778989.db2.gz	IQTFPDWKJZKJGD-SJORKVTESA-N	1	3	349.519	1.583	20	30		EDEDHO
C#CCN1CCC(C(=O)N(CC)[C@@H]2CC[N@@H+](C[C@H](CC)OC)C2)CC1	ZINC001034044899	709297026	/nfs/dbraw/zinc/29/70/26/709297026.db2.gz	FVYHBTFVJKEYCO-MOPGFXCFSA-N	1	3	349.519	1.679	20	30		EDEDHO
C#CCN1CCC(C(=O)N(CC)[C@@H]2CC[N@H+](C[C@H](CC)OC)C2)CC1	ZINC001034044899	709297027	/nfs/dbraw/zinc/29/70/27/709297027.db2.gz	FVYHBTFVJKEYCO-MOPGFXCFSA-N	1	3	349.519	1.679	20	30		EDEDHO
CC[C@@H](CNC(=O)[C@H]([NH3+])CCCC#N)N1CCc2ccccc2C1	ZINC000424132924	252135975	/nfs/dbraw/zinc/13/59/75/252135975.db2.gz	LHERRYCZBKMTEZ-ZWKOTPCHSA-N	1	3	328.460	1.961	20	30		EDEDHO
C=C(C)CN1CCC(NC(=O)N2CCC([N@H+](C)CCO)CC2)CC1	ZINC000163008394	442138430	/nfs/dbraw/zinc/13/84/30/442138430.db2.gz	SPSTWIRNESAWKR-UHFFFAOYSA-N	1	3	338.496	1.125	20	30		EDEDHO
C=C(C)CN1CCC(NC(=O)N2CCC([N@@H+](C)CCO)CC2)CC1	ZINC000163008394	442138434	/nfs/dbraw/zinc/13/84/34/442138434.db2.gz	SPSTWIRNESAWKR-UHFFFAOYSA-N	1	3	338.496	1.125	20	30		EDEDHO
CCOCCCNC(=[NH2+])NCC1(N2CCCCC2)CCN(C)CC1	ZINC000178585817	442445931	/nfs/dbraw/zinc/44/59/31/442445931.db2.gz	PWIBCXWFXKSZBE-UHFFFAOYSA-N	1	3	339.528	1.268	20	30		EDEDHO
C=CCN(CC=C)[C@H](CNC(=O)C[C@H]1CSCC[NH2+]1)C(C)C	ZINC000236682437	443143881	/nfs/dbraw/zinc/14/38/81/443143881.db2.gz	WCJGOULHJPPENZ-JKSUJKDBSA-N	1	3	325.522	1.896	20	30		EDEDHO
C[NH+]=C(NCCn1cnc2ccccc21)N[C@@H]1CN(C(C)C)C[C@H]1C	ZINC000261942094	443174356	/nfs/dbraw/zinc/17/43/56/443174356.db2.gz	DSNPGYRXYZOZLR-NVXWUHKLSA-N	1	3	342.491	1.930	20	30		EDEDHO
CCN1CCN(Cc2ccc(CNC(=[NH2+])N[C@H](C)COC)cc2)CC1	ZINC000264063400	443247276	/nfs/dbraw/zinc/24/72/76/443247276.db2.gz	ACUJNGKUHTZQEP-MRXNPFEDSA-N	1	3	347.507	1.263	20	30		EDEDHO
CN(CC#CC[N@H+](C)CCCn1ccnc1)CCCn1ccnc1	ZINC000276322517	443686876	/nfs/dbraw/zinc/68/68/76/443686876.db2.gz	PANNYXAELBNHIE-UHFFFAOYSA-N	1	3	328.464	1.427	20	30		EDEDHO
CN(CC#CC[N@@H+](C)CCCn1ccnc1)CCCn1ccnc1	ZINC000276322517	443686878	/nfs/dbraw/zinc/68/68/78/443686878.db2.gz	PANNYXAELBNHIE-UHFFFAOYSA-N	1	3	328.464	1.427	20	30		EDEDHO
C[C@@H](CNC(=[NH2+])Nc1cc(F)ccc1F)CN1CCN(C)CC1	ZINC000288626315	443937567	/nfs/dbraw/zinc/93/75/67/443937567.db2.gz	AELIITMBNAEGOH-LBPRGKRZSA-N	1	3	325.407	1.575	20	30		EDEDHO
C=CCN1CC[C@@H](N2CCC(CCC[N@@H+](C)CCOC)CC2)C1=O	ZINC000337183507	444976688	/nfs/dbraw/zinc/97/66/88/444976688.db2.gz	NQSCBYLFMIASCA-GOSISDBHSA-N	1	3	337.508	1.844	20	30		EDEDHO
C=CCN1CC[C@@H](N2CCC(CCC[N@H+](C)CCOC)CC2)C1=O	ZINC000337183507	444976694	/nfs/dbraw/zinc/97/66/94/444976694.db2.gz	NQSCBYLFMIASCA-GOSISDBHSA-N	1	3	337.508	1.844	20	30		EDEDHO
CN(CCC#N)C[C@@H](O)CNCc1ccccc1C[NH+]1CCCCC1	ZINC000574072047	448786120	/nfs/dbraw/zinc/78/61/20/448786120.db2.gz	PXMSNIBSQVBTMZ-FQEVSTJZSA-N	1	3	344.503	1.968	20	30		EDEDHO
C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCc1cccc(C#N)c1	ZINC000596126624	449376146	/nfs/dbraw/zinc/37/61/46/449376146.db2.gz	NCSUXVSDQSOYJD-HNNXBMFYSA-N	1	3	331.464	1.629	20	30		EDEDHO
C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCc1cccc(C#N)c1	ZINC000596126624	449376150	/nfs/dbraw/zinc/37/61/50/449376150.db2.gz	NCSUXVSDQSOYJD-HNNXBMFYSA-N	1	3	331.464	1.629	20	30		EDEDHO
C=CCN(CC=C)[C@@H](CNC(=O)NCC1([NH3+])CCOCC1)C(C)C	ZINC000626936430	451018529	/nfs/dbraw/zinc/01/85/29/451018529.db2.gz	JWHZJKYOVKUOJW-INIZCTEOSA-N	1	3	338.496	1.492	20	30		EDEDHO
C=CCN1CCC(NC(=O)N[C@@H](C)CN(C)CCC[NH+](C)C)CC1	ZINC000664020774	452722192	/nfs/dbraw/zinc/72/21/92/452722192.db2.gz	UCKDZNAOCLXDRC-INIZCTEOSA-N	1	3	339.528	1.208	20	30		EDEDHO
C=CC[C@]1(C(=O)NCc2ccccc2OCCN(C)C)CCC[NH2+]1	ZINC000662701930	453424393	/nfs/dbraw/zinc/42/43/93/453424393.db2.gz	GDKSEVXDTQGPCW-LJQANCHMSA-N	1	3	331.460	1.942	20	30		EDEDHO
CCN1CCC[C@H]1CNC(=[NH2+])NCc1ccnc(-n2cccn2)c1	ZINC000104164110	529101005	/nfs/dbraw/zinc/10/10/05/529101005.db2.gz	GZXCPBBLLMLGBD-HNNXBMFYSA-N	1	3	327.436	1.156	20	30		EDEDHO
COC(=O)CCCN1CCC(=NNC2=[NH+][C@H]3CCCC[C@H]3N2)CC1	ZINC000753941096	579891775	/nfs/dbraw/zinc/89/17/75/579891775.db2.gz	WTAZVUUEKCZUOF-GASCZTMLSA-N	1	3	335.452	1.251	20	30		EDEDHO
C[NH+]1CCC(CN[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1	ZINC000894005016	591166213	/nfs/dbraw/zinc/16/62/13/591166213.db2.gz	FRSNJBPKHYFYCJ-GOSISDBHSA-N	1	3	326.444	1.591	20	30		EDEDHO
C=C(CC[NH+](C)C)C(=O)NCc1ccc(CN2CCN(C)CC2)cc1	ZINC000900209957	591944198	/nfs/dbraw/zinc/94/41/98/591944198.db2.gz	VNKMPIHHGHEJBD-UHFFFAOYSA-N	1	3	344.503	1.558	20	30		EDEDHO
C#C[C@@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)c1ccc(F)cc1	ZINC000820490788	593823525	/nfs/dbraw/zinc/82/35/25/593823525.db2.gz	QPBVLYOEPMRDOO-QGZVFWFLSA-N	1	3	334.439	1.635	20	30		EDEDHO
C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)/C=C\c1ccccc1C#N	ZINC000855346197	595680700	/nfs/dbraw/zinc/68/07/00/595680700.db2.gz	RKCGRNRAZTVXBL-SNGWPZLWSA-N	1	3	328.460	1.960	20	30		EDEDHO
C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)/C=C\c1ccccc1C#N	ZINC000855346197	595680704	/nfs/dbraw/zinc/68/07/04/595680704.db2.gz	RKCGRNRAZTVXBL-SNGWPZLWSA-N	1	3	328.460	1.960	20	30		EDEDHO
N#Cc1cc(CN(CCO)C2CC2)cc(C[N@H+](CCO)C2CC2)c1	ZINC000877961407	597566424	/nfs/dbraw/zinc/56/64/24/597566424.db2.gz	LSTFYMLAVBFWQK-UHFFFAOYSA-N	1	3	329.444	1.472	20	30		EDEDHO
N#Cc1cc(CN(CCO)C2CC2)cc(C[N@@H+](CCO)C2CC2)c1	ZINC000877961407	597566425	/nfs/dbraw/zinc/56/64/25/597566425.db2.gz	LSTFYMLAVBFWQK-UHFFFAOYSA-N	1	3	329.444	1.472	20	30		EDEDHO
C[C@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1NCc1ccc(C#N)s1	ZINC000939053984	699114044	/nfs/dbraw/zinc/11/40/44/699114044.db2.gz	CGVRZKLHYAVISL-GUYCJALGSA-N	1	3	346.500	1.898	20	30		EDEDHO
C=CCN1CC[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C(C)(C)C1	ZINC000940753972	700890686	/nfs/dbraw/zinc/89/06/86/700890686.db2.gz	RYPYKFBWBAYKMW-INIZCTEOSA-N	1	3	333.480	1.461	20	30		EDEDHO
C[N@@H+]1CC[C@H](C(=O)N2CCC(NCc3cc(F)ccc3C#N)CC2)C1	ZINC000997298403	703556494	/nfs/dbraw/zinc/55/64/94/703556494.db2.gz	IZSBGXKNLFLMRR-HNNXBMFYSA-N	1	3	344.434	1.730	20	30		EDEDHO
C[N@H+]1CC[C@H](C(=O)N2CCC(NCc3cc(F)ccc3C#N)CC2)C1	ZINC000997298403	703556495	/nfs/dbraw/zinc/55/64/95/703556495.db2.gz	IZSBGXKNLFLMRR-HNNXBMFYSA-N	1	3	344.434	1.730	20	30		EDEDHO
C#CCN1CCC(C(=O)NCC2CC[NH+](C[C@H]3CCOC3)CC2)CC1	ZINC001002145567	708659691	/nfs/dbraw/zinc/65/96/91/708659691.db2.gz	SEKZIKYQVJDTFP-GOSISDBHSA-N	1	3	347.503	1.196	20	30		EDEDHO
CCN(CCC#N)C(=O)CN(C)CC1CCN(c2cc[nH+]cc2)CC1	ZINC000376163784	250285067	/nfs/dbraw/zinc/28/50/67/250285067.db2.gz	CTKBEFQFOCBPHB-UHFFFAOYSA-N	1	3	343.475	1.992	20	30		EDEDHO
CCN1CCN(CCC[NH2+]Cc2cnc3ccc(C#N)cn23)CC1	ZINC000123285791	222248944	/nfs/dbraw/zinc/24/89/44/222248944.db2.gz	SLIGTSKVKAHHGX-UHFFFAOYSA-N	1	3	326.448	1.323	20	30		EDEDHO
C[NH+]1CCC(N2CCC(Nc3ccc([N+](=O)[O-])c(C#N)n3)CC2)CC1	ZINC000302706471	266584191	/nfs/dbraw/zinc/58/41/91/266584191.db2.gz	GXQQALYCTYUACS-UHFFFAOYSA-N	1	3	344.419	1.832	20	30		EDEDHO
CCOC(=O)C1([C@@H](C)NCc2ccc(C#N)c(OC)c2)CC[NH2+]CC1	ZINC000423128086	267114141	/nfs/dbraw/zinc/11/41/41/267114141.db2.gz	UYTVDGPUZZBJCY-CQSZACIVSA-N	1	3	345.443	1.978	20	30		EDEDHO
C[NH+]=C(NCC(=O)Nc1ccccc1)N[C@@H]1CN(C(C)C)C[C@H]1C	ZINC000262023083	443180518	/nfs/dbraw/zinc/18/05/18/443180518.db2.gz	ZEHTYPJOHBTOPP-GDBMZVCRSA-N	1	3	331.464	1.519	20	30		EDEDHO
CCN1CCN(Cc2ccccc2CNC(=[NH2+])N[C@@H](C)COC)CC1	ZINC000264123819	443250894	/nfs/dbraw/zinc/25/08/94/443250894.db2.gz	VTLGAMZNFOXGET-INIZCTEOSA-N	1	3	347.507	1.263	20	30		EDEDHO
[NH2+]=C(NCCCN1CCN(c2ccncc2)CC1)NC1CCCCC1	ZINC000264122896	443250929	/nfs/dbraw/zinc/25/09/29/443250929.db2.gz	VNOQMDOZWWEULJ-UHFFFAOYSA-N	1	3	344.507	1.831	20	30		EDEDHO
C[C@H](CNC(=[NH2+])Nc1cc(F)ccc1F)CN1CCN(C)CC1	ZINC000288626313	443937877	/nfs/dbraw/zinc/93/78/77/443937877.db2.gz	AELIITMBNAEGOH-GFCCVEGCSA-N	1	3	325.407	1.575	20	30		EDEDHO
C[C@H](CCN1CCN(C)CC1)NC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12	ZINC000329986660	444799930	/nfs/dbraw/zinc/79/99/30/444799930.db2.gz	SADJNKSUYZLMRF-ZACQAIPSSA-N	1	3	337.512	1.143	20	30		EDEDHO
C[C@H](CCN1CCN(C)CC1)NC(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12	ZINC000329986660	444799935	/nfs/dbraw/zinc/79/99/35/444799935.db2.gz	SADJNKSUYZLMRF-ZACQAIPSSA-N	1	3	337.512	1.143	20	30		EDEDHO
C[C@@H]1C[C@H](NC(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)CCN1C	ZINC000330125528	444853868	/nfs/dbraw/zinc/85/38/68/444853868.db2.gz	BPBFIJCTCPFJOC-MWQQHZPXSA-N	1	3	338.496	1.351	20	30		EDEDHO
C=CCOCCN1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1	ZINC000339003460	444981049	/nfs/dbraw/zinc/98/10/49/444981049.db2.gz	MOVALOXJFGARCT-UHFFFAOYSA-N	1	3	325.497	1.605	20	30		EDEDHO
CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NC[C@H]1CCC[NH2+]C1	ZINC000418315837	446495927	/nfs/dbraw/zinc/49/59/27/446495927.db2.gz	KYCSQRYHYFWAST-SFHVURJKSA-N	1	3	343.475	1.631	20	30		EDEDHO
N#CCCC[C@H](N)C(=O)NCC1([NH3+])CCN(Cc2ccccc2)CC1	ZINC000424187786	446861140	/nfs/dbraw/zinc/86/11/40/446861140.db2.gz	BJASWSIRWDQLCI-KRWDZBQOSA-N	1	3	343.475	1.117	20	30		EDEDHO
CN(CCC#N)C[C@@H](O)CNC[C@@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000579228308	448745595	/nfs/dbraw/zinc/74/55/95/448745595.db2.gz	HZQPILKNWNFKQH-OALUTQOASA-N	1	3	330.476	1.304	20	30		EDEDHO
CN(CCC#N)C[C@@H](O)CNC[C@@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000579228308	448745603	/nfs/dbraw/zinc/74/56/03/448745603.db2.gz	HZQPILKNWNFKQH-OALUTQOASA-N	1	3	330.476	1.304	20	30		EDEDHO
N#CC1(C[C@@H](O)C[NH2+]CCCN2CCN(c3ccncc3)CC2)CC1	ZINC000600724965	449519116	/nfs/dbraw/zinc/51/91/16/449519116.db2.gz	VIPIJNUYDGUTOP-GOSISDBHSA-N	1	3	343.475	1.238	20	30		EDEDHO
C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)[C@H](N)CCCC#N	ZINC000602579736	449684686	/nfs/dbraw/zinc/68/46/86/449684686.db2.gz	BJUQIQFPVGSHJC-BPQIPLTHSA-N	1	3	328.460	1.892	20	30		EDEDHO
C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)[C@H](N)CCCC#N	ZINC000602579736	449684692	/nfs/dbraw/zinc/68/46/92/449684692.db2.gz	BJUQIQFPVGSHJC-BPQIPLTHSA-N	1	3	328.460	1.892	20	30		EDEDHO