smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC[NH+]=C(NC[C@@]1(O)CCSC1)NC1CC[NH+](C(C)C)CC1	ZINC000262861395	535263944	/nfs/dbraw/zinc/26/39/44/535263944.db2.gz	UCQGSOLYSXVDQJ-INIZCTEOSA-N	2	0	328.526	1.282	20	30		EDEDRP
C=C(C)CN(C)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1	ZINC000352069552	250070837	/nfs/dbraw/zinc/07/08/37/250070837.db2.gz	MNZJOYWNBDMFQN-UHFFFAOYSA-N	2	0	331.464	1.811	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)N[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)CC1	ZINC000374314066	250259825	/nfs/dbraw/zinc/25/98/25/250259825.db2.gz	VXPNWARKLFPEET-MOPGFXCFSA-N	2	0	325.456	1.546	20	30		EDEDRP
N#CCCC[C@H]([NH3+])C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1	ZINC000424176261	252154363	/nfs/dbraw/zinc/15/43/63/252154363.db2.gz	RRNLDPZIJLADKA-ROUUACIJSA-N	2	0	344.459	1.415	20	30		EDEDRP
C#CCN(CC(=O)Nc1ccc(CN2CCOCC2)cc1)C1CC1	ZINC000491706037	255143716	/nfs/dbraw/zinc/14/37/16/255143716.db2.gz	WIMRGQSNYYOPDO-UHFFFAOYSA-N	2	0	327.428	1.555	20	30		EDEDRP
C[NH+]1CCN(C[C@@H]2CCC[N@H+](CCOc3cccc(C#N)c3)C2)CC1	ZINC000367169605	154029050	/nfs/dbraw/zinc/02/90/50/154029050.db2.gz	BDTZZEJVKQMYEL-LJQANCHMSA-N	2	0	342.487	1.896	20	30		EDEDRP
C[NH+](C)CCN1CCC([NH2+]Cc2cnc3ccc(C#N)cn23)CC1	ZINC000123265856	222245239	/nfs/dbraw/zinc/24/52/39/222245239.db2.gz	MWTGXGSHZQCXQB-UHFFFAOYSA-N	2	0	326.448	1.322	20	30		EDEDRP
CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCCN(C)C(=O)OC(C)(C)C	ZINC000170905543	442286842	/nfs/dbraw/zinc/28/68/42/442286842.db2.gz	VGBCHCQJQXILFW-AWEZNQCLSA-N	2	0	341.500	1.632	20	30		EDEDRP
COc1cc(C#N)ccc1OCCN1CCC([N@H+](C)CCO)CC1	ZINC000265800110	442926026	/nfs/dbraw/zinc/92/60/26/442926026.db2.gz	BUZVQPAUSGDSNZ-UHFFFAOYSA-N	2	0	333.432	1.334	20	30		EDEDRP
CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1nc2cc(OC)ccc2n1C	ZINC000184657959	443056374	/nfs/dbraw/zinc/05/63/74/443056374.db2.gz	HCCZPZMGOHCNNP-CYBMUJFWSA-N	2	0	344.463	1.471	20	30		EDEDRP
C[NH+]=C(NC[C@@H](O)c1cccc(OC)c1)N1CC[C@@H]([NH+]2CC=CC2)C1	ZINC000262761782	443210974	/nfs/dbraw/zinc/21/09/74/443210974.db2.gz	DMTOEVWXGITRDI-SJLPKXTDSA-N	2	0	344.459	1.250	20	30		EDEDRP
C[C@H]1C[NH+](Cc2ccc(CNC(=[NH2+])N3CCOCC3)cc2)C[C@H](C)O1	ZINC000264113961	443249520	/nfs/dbraw/zinc/24/95/20/443249520.db2.gz	PMCRNONIRHFPPZ-HOTGVXAUSA-N	2	0	346.475	1.443	20	30		EDEDRP
CC(C)[NH+](CCNC(=[NH2+])N1CCN(c2ncccn2)CC1)C(C)C	ZINC000264119795	443250008	/nfs/dbraw/zinc/25/00/08/443250008.db2.gz	QQVAJBBKTBJTNS-UHFFFAOYSA-N	2	0	333.484	1.032	20	30		EDEDRP
CN1CC[NH2+]C[C@H]1CNC1CC[NH+](Cc2ccc(C#N)cc2)CC1	ZINC000580432228	322050419	/nfs/dbraw/zinc/05/04/19/322050419.db2.gz	NJVDIIOQLCIBDI-IBGZPJMESA-N	3	0	327.476	1.016	20	30		EDEDRP
C[C@H](C[C@H](C)[NH3+])NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1	ZINC000580644235	322077534	/nfs/dbraw/zinc/07/75/34/322077534.db2.gz	LCGYAEKOFBROBT-LSDHHAIUSA-N	2	0	331.464	1.757	20	30		EDEDRP
N#Cc1ccc(C[NH2+]CCCC[NH+]2CCN(CCO)CC2)c(F)c1	ZINC000344303805	444889844	/nfs/dbraw/zinc/88/98/44/444889844.db2.gz	CEOOUHUTBJDKBN-UHFFFAOYSA-N	2	0	334.439	1.177	20	30		EDEDRP
C[NH+](C)[C@@H]1CC[C@H](NC(=O)N2CCC([N@H+](C)CCCO)CC2)C1	ZINC000330600811	445055390	/nfs/dbraw/zinc/05/53/90/445055390.db2.gz	FZHUQMVHTNIKOX-GOEBONIOSA-N	2	0	326.485	1.162	20	30		EDEDRP
CCN(CCC#N)C(=O)C[N@@H+]1CC[C@H](CNc2cc(C)cc[nH+]2)C1	ZINC000364351623	445912228	/nfs/dbraw/zinc/91/22/28/445912228.db2.gz	AZBOUQGHWYTOAR-MRXNPFEDSA-N	2	0	329.448	1.886	20	30		EDEDRP
CN(CCC#N)C[C@H](O)C[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000579228309	448745195	/nfs/dbraw/zinc/74/51/95/448745195.db2.gz	HZQPILKNWNFKQH-RBUKOAKNSA-N	2	0	330.476	1.304	20	30		EDEDRP
N#Cc1cccc(C[NH+]2CCC(NC(=O)[C@@H]([NH3+])C3CCC3)CC2)c1	ZINC000593919571	449287161	/nfs/dbraw/zinc/28/71/61/449287161.db2.gz	YSNZMLZJHYTSHG-SFHVURJKSA-N	2	0	326.444	1.766	20	30		EDEDRP
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)C1(C[NH+](C)C)CC1	ZINC000602070868	449321780	/nfs/dbraw/zinc/32/17/80/449321780.db2.gz	IVPIJCDWMWTYBZ-UHFFFAOYSA-N	2	0	328.460	1.790	20	30		EDEDRP
C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)C[C@@H]1CC[N@H+](C)C1	ZINC000602087518	449333842	/nfs/dbraw/zinc/33/38/42/449333842.db2.gz	IGOWUVCKFNRBOF-SFHVURJKSA-N	2	0	328.460	1.790	20	30		EDEDRP
C[NH+]1CCN(c2ccc(NC(=O)[C@H]([NH3+])CCCCC#N)nc2)CC1	ZINC000594464328	449533397	/nfs/dbraw/zinc/53/33/97/449533397.db2.gz	NCLPCPIFDLCWCF-OAHLLOKOSA-N	2	0	330.436	1.183	20	30		EDEDRP
C[C@@H](CN(C)CCC[NH+](C)C)NS(=O)(=O)CC(C)(C)CC#N	ZINC000594803984	449716452	/nfs/dbraw/zinc/71/64/52/449716452.db2.gz	SUHZWCHTFZEGNM-AWEZNQCLSA-N	2	0	332.514	1.118	20	30		EDEDRP
C=CC[NH+](CC=C)[C@@H](CNC(=O)c1c[nH]nc1[C@@H]1CC[NH2+]C1)C(C)C	ZINC000662379998	453089193	/nfs/dbraw/zinc/08/91/93/453089193.db2.gz	HSQAHKJAEJCUDP-WBVHZDCISA-N	2	0	345.491	1.915	20	30		EDEDRP
CC[NH+]=C(NCCN1CC[NH+](CC)CC1)N1CCc2ccccc21	ZINC000263118294	535261802	/nfs/dbraw/zinc/26/18/02/535261802.db2.gz	GHDCQJVPUMMGLO-UHFFFAOYSA-N	2	0	329.492	1.652	20	30		EDEDRP
C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)NCc1ccc(C#N)cn1	ZINC000780649238	580530128	/nfs/dbraw/zinc/53/01/28/580530128.db2.gz	STTYEVXLIDFILJ-UHFFFAOYSA-N	2	0	346.479	1.368	20	30		EDEDRP
Cn1c(CC#N)nn(CN2CC[C@@H](C3CC[NH+](C)CC3)C2)c1=S	ZINC000794637235	580901191	/nfs/dbraw/zinc/90/11/91/580901191.db2.gz	SJZGEZRTRLPQAO-CQSZACIVSA-N	2	0	334.493	1.638	20	30		EDEDRP
N#Cc1cccc(C2([NH2+]C[C@H]3C[C@@]4(CC[NH2+]C4)CO3)CCOCC2)c1	ZINC000903764989	592309163	/nfs/dbraw/zinc/30/91/63/592309163.db2.gz	CXPOMZVUCLURRB-RTBURBONSA-N	2	0	341.455	1.922	20	30		EDEDRP
C[NH+](C)CCN(CC[NH+](C)C)C(=O)Nc1nc(Cl)c(C#N)s1	ZINC000888418118	593055536	/nfs/dbraw/zinc/05/55/36/593055536.db2.gz	YYWWPQCHLIMEPR-UHFFFAOYSA-N	2	0	344.872	1.625	20	30		EDEDRP
COCC[N@@H+]1CCC[C@@H]1CNC(NC[C@@H]1CCCO1)=[NH+]C(C)(C)C	ZINC000912508970	593101459	/nfs/dbraw/zinc/10/14/59/593101459.db2.gz	UGKURBJWXGJHRV-CVEARBPZSA-N	2	0	340.512	1.610	20	30		EDEDRP
N#Cc1ccc([C@H](O)C[NH2+]C2CC[NH+]([C@H]3CCC[C@H]3O)CC2)cc1	ZINC000819172332	593742638	/nfs/dbraw/zinc/74/26/38/593742638.db2.gz	DAXVPCNHFIBIES-IPMKNSEASA-N	2	0	329.444	1.559	20	30		EDEDRP
C[NH+](C)CCCOc1ccc(NC(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)cc1	ZINC000841111389	594852391	/nfs/dbraw/zinc/85/23/91/594852391.db2.gz	NTLPOEYUHXLKBI-XJKSGUPXSA-N	2	0	331.420	1.250	20	30		EDEDRP
C[NH+](C)CCCOc1ccc(NC(=O)C#CC2CC[NH2+]CC2)cc1	ZINC000852867085	595586735	/nfs/dbraw/zinc/58/67/35/595586735.db2.gz	PBLIFGHGSCCOAP-UHFFFAOYSA-N	2	0	329.444	1.959	20	30		EDEDRP
CCOCCC[N@@H+]1CC[C@@H](NC(=O)C#CC2CC[NH2+]CC2)[C@@H](C)C1	ZINC000852868266	595587399	/nfs/dbraw/zinc/58/73/99/595587399.db2.gz	BPYDJEZCLDHXDD-FUHWJXTLSA-N	2	0	335.492	1.243	20	30		EDEDRP
CN(C)CC[NH+]1CCC(C[NH2+]Cc2cc(C#N)ccc2N(C)C)CC1	ZINC000865451598	596579093	/nfs/dbraw/zinc/57/90/93/596579093.db2.gz	SQMKEAFEIVKFAJ-UHFFFAOYSA-N	2	0	343.519	1.987	20	30		EDEDRP
N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)NCc1ccc2c(c1)C[NH2+]C2	ZINC000867967644	596637752	/nfs/dbraw/zinc/63/77/52/596637752.db2.gz	KPBIVCBZKWGYIY-LJQANCHMSA-N	2	0	332.407	1.665	20	30		EDEDRP
N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1	ZINC000876786921	597340241	/nfs/dbraw/zinc/34/02/41/597340241.db2.gz	RACIPOBDZJKHIC-NEWSRXKRSA-N	2	0	338.455	1.736	20	30		EDEDRP
C#CCC1(O)CC[NH+](C/C=C/C[NH+]2CCC(O)(CC#C)CC2)CC1	ZINC000880480767	597942098	/nfs/dbraw/zinc/94/20/98/597942098.db2.gz	FVOWXDNLRANQED-AATRIKPKSA-N	2	0	330.472	1.243	20	30		EDEDRP
C#CCN(C(=O)NC[C@@H](C)[N@@H+]1CCC[C@H](C)C1)C1CC[NH+](C)CC1	ZINC000914074732	695069848	/nfs/dbraw/zinc/06/98/48/695069848.db2.gz	LJLFODAYDCXOPX-DLBZAZTESA-N	2	0	334.508	1.846	20	30		EDEDRP
C=CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)COC3CC[NH+](C)CC3)C[C@@H]21	ZINC000992875986	695425198	/nfs/dbraw/zinc/42/51/98/695425198.db2.gz	NINHEDJOGZVNSO-BPQIPLTHSA-N	2	0	335.492	1.500	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)N2C[C@@H]3CCC[C@@H]([NH2+]C(C)C)[C@@H]3C2)CC1	ZINC000992932003	695461649	/nfs/dbraw/zinc/46/16/49/695461649.db2.gz	YEQFQHAYYVXSPX-IPMKNSEASA-N	2	0	331.504	1.957	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)N2C[C@@H]3CCC[C@@H]([NH2+]C(C)C)[C@H]3C2)CC1	ZINC000992932002	695461658	/nfs/dbraw/zinc/46/16/58/695461658.db2.gz	YEQFQHAYYVXSPX-GBESFXJTSA-N	2	0	331.504	1.957	20	30		EDEDRP
C#CC[NH+]1CCC(NC(=O)NCC[N@@H+](C)Cc2ccc(F)cc2)CC1	ZINC000921320864	697549377	/nfs/dbraw/zinc/54/93/77/697549377.db2.gz	USUGYUZELQIZCY-UHFFFAOYSA-N	2	0	346.450	1.654	20	30		EDEDRP
C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@@H](C)C1	ZINC000943515117	698429105	/nfs/dbraw/zinc/42/91/05/698429105.db2.gz	GLUZIJIZLOSYQG-FUHWJXTLSA-N	2	0	347.507	1.851	20	30		EDEDRP
C=C(Br)C[NH2+][C@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1C	ZINC000939547749	699673258	/nfs/dbraw/zinc/67/32/58/699673258.db2.gz	ZCKOICVMVJIPSJ-AAEUAGOBSA-N	2	0	342.281	1.427	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)N2C[C@H](C)[C@H]([NH2+]Cc3cncs3)C2)CC1	ZINC000939812233	699960077	/nfs/dbraw/zinc/96/00/77/699960077.db2.gz	VOIBAVUPEAFCMF-WMLDXEAASA-N	2	0	346.500	1.425	20	30		EDEDRP
C#CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2C2CCOCC2)C(C)(C)C1	ZINC000940795884	700914975	/nfs/dbraw/zinc/91/49/75/700914975.db2.gz	WJSMXVCHAYPEOZ-QZTJIDSGSA-N	2	0	347.503	1.480	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](CC#CC)CC2(C)C)CC1	ZINC000941239122	701429505	/nfs/dbraw/zinc/42/95/05/701429505.db2.gz	ITGWYMWQNDKRME-GOSISDBHSA-N	2	0	329.488	1.572	20	30		EDEDRP
C=CCC[NH+]1CCC2(CCN(C(=O)[C@H](C)C[NH+]3CCOCC3)C2)CC1	ZINC001040940898	701715827	/nfs/dbraw/zinc/71/58/27/701715827.db2.gz	GNUWEVIBXWJKCC-GOSISDBHSA-N	2	0	349.519	1.845	20	30		EDEDRP
C#CCC[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)[C@@H](C)C1	ZINC000944045812	702003010	/nfs/dbraw/zinc/00/30/10/702003010.db2.gz	FGRJIAUQUOXMJI-LPHOPBHVSA-N	2	0	331.504	1.958	20	30		EDEDRP
C#CCN1CCC[C@H]1C(=O)N1CCC([NH2+]Cc2nocc2C)CC1	ZINC000996685396	702983183	/nfs/dbraw/zinc/98/31/83/702983183.db2.gz	PBIOMZRNYUDZTO-KRWDZBQOSA-N	2	0	330.432	1.161	20	30		EDEDRP
C#CCN1CC[NH+](C2CCC(NC(=O)[C@H]3CCCC[N@H+]3C)CC2)CC1	ZINC000996782590	703077596	/nfs/dbraw/zinc/07/75/96/703077596.db2.gz	MVJMKZFKDUUENQ-CTWPCTMYSA-N	2	0	346.519	1.149	20	30		EDEDRP
C#CC[N@@H+]1CC[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)[C@H](C)C1	ZINC000942718221	703232141	/nfs/dbraw/zinc/23/21/41/703232141.db2.gz	DBQSUIICOPHZBN-VQIMIIECSA-N	2	0	327.472	1.864	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)N2CCC([NH2+]CC3CC(C)C3)CC2)CC1	ZINC000997365057	703598191	/nfs/dbraw/zinc/59/81/91/703598191.db2.gz	QZOUZTLMXSVGHP-UHFFFAOYSA-N	2	0	331.504	1.958	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)N2CCC([NH2+]Cc3coc(C)n3)CC2)CC1	ZINC000997364875	703598268	/nfs/dbraw/zinc/59/82/68/703598268.db2.gz	OIDOEAPYVOEPMN-UHFFFAOYSA-N	2	0	344.459	1.409	20	30		EDEDRP
C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+]4CCC[C@@H]4CO3)CC[C@@H]2C1	ZINC000946597721	704293030	/nfs/dbraw/zinc/29/30/30/704293030.db2.gz	HSYNSECKIMGERI-FCGDIQPGSA-N	2	0	347.503	1.596	20	30		EDEDRP
C=CCC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)CC1	ZINC001004465275	704457121	/nfs/dbraw/zinc/45/71/21/704457121.db2.gz	CAYZFHSJSZYZCF-NZSAHSFTSA-N	2	0	349.519	1.985	20	30		EDEDRP
CN(C(=O)[C@H]1CCC[N@@H+]1C)C1CC([NH2+]Cc2ccc(C#N)s2)C1	ZINC000998550389	705986373	/nfs/dbraw/zinc/98/63/73/705986373.db2.gz	LYZIJHFBPJKOLV-SEEARECTSA-N	2	0	332.473	1.793	20	30		EDEDRP
C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]Cc2ccc(C#N)c(F)c2)C1	ZINC000998718009	706149940	/nfs/dbraw/zinc/14/99/40/706149940.db2.gz	AFVHLHGPFDHATE-FUHWJXTLSA-N	2	0	344.434	1.872	20	30		EDEDRP
C=C(Br)C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C)C1	ZINC000998724427	706155677	/nfs/dbraw/zinc/15/56/77/706155677.db2.gz	UCOCCWBMIZFZMG-OLZOCXBDSA-N	2	0	330.270	1.570	20	30		EDEDRP
C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2ccc(C#N)s2)C1	ZINC000998725159	706159755	/nfs/dbraw/zinc/15/97/55/706159755.db2.gz	VMQAWZGSGXBKTF-BBRMVZONSA-N	2	0	332.473	1.795	20	30		EDEDRP
C=C(C)C[NH2+][C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)C1	ZINC000999353878	706842787	/nfs/dbraw/zinc/84/27/87/706842787.db2.gz	OAQSADWQOFKMTN-FUHWJXTLSA-N	2	0	335.492	1.787	20	30		EDEDRP
C=C(C)CC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1	ZINC001033277688	707343559	/nfs/dbraw/zinc/34/35/59/707343559.db2.gz	GKSZDZQWRABHGV-ISXWCOSWSA-N	2	0	333.476	1.349	20	30		EDEDRP
C#CC[NH+]1CCC(CNC(=O)c2ccc(CC[NH+](C)C)cc2)CC1	ZINC001001836124	708340720	/nfs/dbraw/zinc/34/07/20/708340720.db2.gz	FXGVYWNUSMINDP-UHFFFAOYSA-N	2	0	327.472	1.866	20	30		EDEDRP
C#CCC[NH+]1CCC(N(C)C(=O)c2ccn(-c3cc[nH+]cc3)n2)CC1	ZINC001005691038	710998846	/nfs/dbraw/zinc/99/88/46/710998846.db2.gz	MSIUVXKUEYNPIB-UHFFFAOYSA-N	2	0	337.427	1.827	20	30		EDEDRP
C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCc4nccn43)CC[C@@H]2C1	ZINC000946623150	711921761	/nfs/dbraw/zinc/92/17/61/711921761.db2.gz	DZRSRPSSTPQYTE-FGTMMUONSA-N	2	0	340.471	1.954	20	30		EDEDRP
C[NH+](CC#CC[N@@H+](C)C[C@H]1CCCC[C@H]1O)C[C@@H]1CCCC[C@@H]1O	ZINC000341904127	250002693	/nfs/dbraw/zinc/00/26/93/250002693.db2.gz	QJRRUABCZIHIBT-FGYAAKKASA-N	2	0	336.520	1.956	20	30		EDEDRP
C[C@H](C[NH3+])CNC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1	ZINC000418475045	251373989	/nfs/dbraw/zinc/37/39/89/251373989.db2.gz	QGQLRTLMDXHMEZ-OAHLLOKOSA-N	2	0	329.448	1.370	20	30		EDEDRP
COC[C@H](C)NC(=[NH2+])NCc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1	ZINC000104162854	285339909	/nfs/dbraw/zinc/33/99/09/285339909.db2.gz	NSMJOJMNZGGUAF-HRCADAONSA-N	2	0	348.491	1.735	20	30		EDEDRP
C[C@H](O)C[N@H+](C)C1CCN(C[C@H](O)COc2ccc(C#N)cc2)CC1	ZINC000357626752	151090915	/nfs/dbraw/zinc/09/09/15/151090915.db2.gz	LZEORACUWYNFDO-YJBOKZPZSA-N	2	0	347.459	1.075	20	30		EDEDRP
CC[NH+]=C(NC[C@]1(C)CCCC[C@@H]1O)N1CC[C@H]([NH+]2CC=CC2)C1	ZINC000131057110	278168485	/nfs/dbraw/zinc/16/84/85/278168485.db2.gz	VAHXZIIACNXUJP-LNLFQRSKSA-N	2	0	334.508	1.839	20	30		EDEDRP
CC[NH+]1CCN(CCC[NH2+][C@@H]2CCC[C@@H]3O[C@H](CC#N)C[C@H]32)CC1	ZINC000376161817	279357203	/nfs/dbraw/zinc/35/72/03/279357203.db2.gz	JWVGJCFJIPGINN-HCXYKTFWSA-N	2	0	334.508	1.843	20	30		EDEDRP
C[C@@H]1C[NH+]2CCC[C@@H]2CN1CC#CCN1C[C@H]2CCC[N@H+]2C[C@@H]1C	ZINC000341880621	288305098	/nfs/dbraw/zinc/30/50/98/288305098.db2.gz	FVBWDFBZFFQOFG-IYWMVGAKSA-N	2	0	330.520	1.327	20	30		EDEDRP
CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCC(=O)N(C)Cc1ccccc1	ZINC000170913630	442287766	/nfs/dbraw/zinc/28/77/66/442287766.db2.gz	WRPNUAGTUAFRNT-INIZCTEOSA-N	2	0	331.464	1.034	20	30		EDEDRP
[NH2+]=C(NCc1ccc(C[NH+]2CCC(O)CC2)cc1)Nc1ccccn1	ZINC000178567041	442444763	/nfs/dbraw/zinc/44/47/63/442444763.db2.gz	QSJJULOTALEFGY-UHFFFAOYSA-N	2	0	339.443	1.965	20	30		EDEDRP
CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@]1(C)OCCc2sccc21	ZINC000262349564	443191088	/nfs/dbraw/zinc/19/10/88/443191088.db2.gz	YPGZDHHWOQSSLM-GUYCJALGSA-N	2	0	336.505	1.925	20	30		EDEDRP
C[NH+]=C(NCc1nc(C(F)(F)F)cs1)NC[C@H]1CC[N@H+](C)C1	ZINC000262502246	443198495	/nfs/dbraw/zinc/19/84/95/443198495.db2.gz	KTEDTDMSDXDEEN-SECBINFHSA-N	2	0	335.399	1.779	20	30		EDEDRP
COC[C@@H](C)NC(=[NH2+])NCCC[N@@H+]1CCN(C)C[C@H]1c1ccccc1	ZINC000264091686	443248735	/nfs/dbraw/zinc/24/87/35/443248735.db2.gz	LDCUJPMGVWMSPT-AEFFLSMTSA-N	2	0	347.507	1.304	20	30		EDEDRP
CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1cccnc1OCC(F)F	ZINC000270643894	443477663	/nfs/dbraw/zinc/47/76/63/443477663.db2.gz	YZNYHYSGDJNBFN-ZDUSSCGKSA-N	2	0	341.406	1.614	20	30		EDEDRP
CC[NH+]1CCC(CCNC(=[NH2+])N2CCN(c3ncccn3)CC2)CC1	ZINC000267428101	443454070	/nfs/dbraw/zinc/45/40/70/443454070.db2.gz	LXNXFKQWQLNOCR-UHFFFAOYSA-N	2	0	345.495	1.035	20	30		EDEDRP
CCCNC(=[NH2+])NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1	ZINC000267438501	443457568	/nfs/dbraw/zinc/45/75/68/443457568.db2.gz	OLVGXGYNCHQHKA-INIZCTEOSA-N	2	0	331.464	1.198	20	30		EDEDRP
CCCNC(=[NH2+])NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1	ZINC000267438504	443457717	/nfs/dbraw/zinc/45/77/17/443457717.db2.gz	OLVGXGYNCHQHKA-MRXNPFEDSA-N	2	0	331.464	1.198	20	30		EDEDRP
COC[C@@H](C)NC(=[NH2+])NCc1ccc(OC2CC[NH+](C)CC2)cc1	ZINC000284139362	443767866	/nfs/dbraw/zinc/76/78/66/443767866.db2.gz	UXMPLMOMRISAKV-CQSZACIVSA-N	2	0	334.464	1.599	20	30		EDEDRP
C[N@H+](CCN1CCN(CCOCCC#N)CC1)Cc1ccccc1	ZINC000293001718	443899168	/nfs/dbraw/zinc/89/91/68/443899168.db2.gz	GTRLHQXPYCGYHF-UHFFFAOYSA-N	2	0	330.476	1.666	20	30		EDEDRP
C#CC[N@@H+](C)CCCNC(=O)NCc1ccc(F)c(C[NH+](C)C)c1	ZINC000296406430	444227588	/nfs/dbraw/zinc/22/75/88/444227588.db2.gz	LZBCFQMBHBFZKP-UHFFFAOYSA-N	2	0	334.439	1.642	20	30		EDEDRP
C[NH+](C)[C@@H](CNC(=[NH2+])N1CCN(C(=O)OC(C)(C)C)CC1)C1CC1	ZINC000303890820	444237544	/nfs/dbraw/zinc/23/75/44/444237544.db2.gz	QEWQIOIXOZBEBE-AWEZNQCLSA-N	2	0	339.484	1.194	20	30		EDEDRP
CC#CCN(C)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1	ZINC000297316927	444282134	/nfs/dbraw/zinc/28/21/34/444282134.db2.gz	SATKSRQCPYWNCJ-UHFFFAOYSA-N	2	0	329.448	1.258	20	30		EDEDRP
CN1CC[C@@H]([NH+]2CCC(NC(=O)C3CC[NH+](C4CC4)CC3)CC2)C1=O	ZINC000329172099	444491111	/nfs/dbraw/zinc/49/11/11/444491111.db2.gz	KWEVPABIAQIZOS-QGZVFWFLSA-N	2	0	348.491	1.512	20	30		EDEDRP
C=CC[NH+]1CCC(NC(=O)C(=O)N2CCCC[C@H]2c2ncc[nH]2)CC1	ZINC000343758458	444569652	/nfs/dbraw/zinc/56/96/52/444569652.db2.gz	BVMPCJOKVBFDOS-HNNXBMFYSA-N	2	0	345.447	1.230	20	30		EDEDRP
CC[N@@H+]1CCC[C@@H]1CNC(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1	ZINC000330233790	444900020	/nfs/dbraw/zinc/90/00/20/444900020.db2.gz	SHNBGHYJQYFTMX-BRWVUGGUSA-N	2	0	338.496	1.352	20	30		EDEDRP
C=CCN1CC[C@H]([NH+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)C1=O	ZINC000337251421	445003692	/nfs/dbraw/zinc/00/36/92/445003692.db2.gz	QZMPLFAASBAUKW-QRVBRYPASA-N	2	0	325.456	1.837	20	30		EDEDRP
CCN(CCC#N)C(=O)C[N@@H+]1CC[C@@H](CNc2cc(C)cc[nH+]2)C1	ZINC000364351622	445913335	/nfs/dbraw/zinc/91/33/35/445913335.db2.gz	AZBOUQGHWYTOAR-INIZCTEOSA-N	2	0	329.448	1.886	20	30		EDEDRP
OCC[C@H]1CCC[NH+](CC#CC[N@H+]2CCC[C@H](CCO)CC2)CC1	ZINC000421020003	446991128	/nfs/dbraw/zinc/99/11/28/446991128.db2.gz	QPZULBPHBCVMSO-PMACEKPBSA-N	2	0	336.520	1.959	20	30		EDEDRP
C=CC[NH+](CC=C)[C@H](CNC(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1)C(C)C	ZINC000417067458	447733211	/nfs/dbraw/zinc/73/32/11/447733211.db2.gz	RQZPDUBRDZKUSD-RCCFBDPRSA-N	2	0	334.508	1.936	20	30		EDEDRP
CC[NH+]1CCN(CC(C)(C)[NH2+]CC(=O)Nc2ccc(C#N)cc2)CC1	ZINC000451976700	447796277	/nfs/dbraw/zinc/79/62/77/447796277.db2.gz	CCHCAMISUMLQSQ-UHFFFAOYSA-N	2	0	343.475	1.502	20	30		EDEDRP
C[C@@H]1CC[C@H](NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)C[NH2+]1	ZINC000599942366	449120231	/nfs/dbraw/zinc/12/02/31/449120231.db2.gz	ZVHBWIHNICQWLP-QAPCUYQASA-N	2	0	343.475	1.772	20	30		EDEDRP
C[C@@H](C[NH3+])N(C)C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000593722722	449160012	/nfs/dbraw/zinc/16/00/12/449160012.db2.gz	YKGPSRNNLNZOSE-AWEZNQCLSA-N	2	0	329.448	1.511	20	30		EDEDRP
C[N@@H+]1CC[C@@H](CC(=O)N2CCC[NH+](Cc3ccc(C#N)cc3)CC2)C1	ZINC000602048036	449299503	/nfs/dbraw/zinc/29/95/03/449299503.db2.gz	UQULMPNSHRTATO-IBGZPJMESA-N	2	0	340.471	1.934	20	30		EDEDRP
C[NH+]1CCN(Cc2ccc(C[NH2+]C[C@@H](O)CC3(C#N)CC3)cc2)CC1	ZINC000600717348	449514640	/nfs/dbraw/zinc/51/46/40/449514640.db2.gz	KJXITHGEMMMSRS-IBGZPJMESA-N	2	0	342.487	1.578	20	30		EDEDRP
C=CC[C@@]1(C(=O)NCc2ccccc2OCC[NH+](C)C)CCC[NH2+]1	ZINC000662701929	453423618	/nfs/dbraw/zinc/42/36/18/453423618.db2.gz	GDKSEVXDTQGPCW-IBGZPJMESA-N	2	0	331.460	1.942	20	30		EDEDRP
CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](c1ccco1)N1CCCC1	ZINC000104155002	529074197	/nfs/dbraw/zinc/07/41/97/529074197.db2.gz	KLBZHTOATXEMRB-CVEARBPZSA-N	2	0	333.480	1.805	20	30		EDEDRP
CC(C)C[N@@H+]1CCO[C@H](CNC(=O)NCc2cn3c(n2)CCCC3)C1	ZINC000328800063	546508546	/nfs/dbraw/zinc/50/85/46/546508546.db2.gz	YCUAASRYTWDRRA-MRXNPFEDSA-N	2	0	349.479	1.580	20	30		EDEDRP
C#CCN1CCC[C@H]1C(=O)NCc1ccc(OCC[NH+](C)C)cc1	ZINC000730105547	578614856	/nfs/dbraw/zinc/61/48/56/578614856.db2.gz	KLVUJESRXWDWPO-SFHVURJKSA-N	2	0	329.444	1.341	20	30		EDEDRP
C#CC[NH+]1CCC(NC(=O)[C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)CC1	ZINC000900667090	592086031	/nfs/dbraw/zinc/08/60/31/592086031.db2.gz	LUJIBZZDFMSSMD-OALUTQOASA-N	2	0	325.456	1.893	20	30		EDEDRP
C=C(Cl)COc1ccc([C@@H](C)[NH2+]CC(=O)N2CC[NH2+]CC2)cc1	ZINC000817945738	593650989	/nfs/dbraw/zinc/65/09/89/593650989.db2.gz	KNIJUGWZDYKNLX-CQSZACIVSA-N	2	0	337.851	1.900	20	30		EDEDRP
COCCC1(NC(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)CC[NH2+]CC1	ZINC000868043798	596666917	/nfs/dbraw/zinc/66/69/17/596666917.db2.gz	UGDMYZKOMVCNMI-QGZVFWFLSA-N	2	0	342.443	1.020	20	30		EDEDRP
N#Cc1ccc(N2CC[NH+](Cc3cccc4c3CC[NH2+]C4)CC2)cn1	ZINC000872146203	596810446	/nfs/dbraw/zinc/81/04/46/596810446.db2.gz	HZQSVAHQFPZBPX-UHFFFAOYSA-N	2	0	333.439	1.921	20	30		EDEDRP
C[NH+](C)CCN(CC[NH+](C)C)C(=O)N[C@H]1Cc2ccc(C#N)cc2C1	ZINC000876279787	597159981	/nfs/dbraw/zinc/15/99/81/597159981.db2.gz	SRPXJRDMSZXOTP-SFHVURJKSA-N	2	0	343.475	1.160	20	30		EDEDRP
C[NH+]1CCC(N2CC[C@H]([NH2+]Cc3cc(C#N)cnc3Cl)C2)CC1	ZINC000877027691	597416056	/nfs/dbraw/zinc/41/60/56/597416056.db2.gz	RBCDBHVVWLTHJX-HNNXBMFYSA-N	2	0	333.867	1.865	20	30		EDEDRP
CCN(C[C@H](C)C#N)C(=O)C[N@H+](CCOC)CC1CC[NH+](C)CC1	ZINC000879124746	597827142	/nfs/dbraw/zinc/82/71/42/597827142.db2.gz	BQVIDNCYAXBTSI-MRXNPFEDSA-N	2	0	338.496	1.285	20	30		EDEDRP
C[NH+](C)C[C@@H]1CN(C(=O)Nc2cc(F)cc(C#N)c2)C[C@H]1C[NH+](C)C	ZINC000880329655	597902841	/nfs/dbraw/zinc/90/28/41/597902841.db2.gz	BVLAFVZUHSJXAV-HUUCEWRRSA-N	2	0	347.438	1.900	20	30		EDEDRP
N#C[C@H]1C[NH2+]CC12CC(C(=O)N1CC[NH+](CC3CCCCC3)CC1)C2	ZINC000884185096	598018048	/nfs/dbraw/zinc/01/80/48/598018048.db2.gz	KZUWWGRJJQCELJ-FDYSRKEFSA-N	2	0	344.503	1.850	20	30		EDEDRP
C[N@H+](CCCOc1ccc(C#N)cc1)CCCN1CC[NH+](C)CC1	ZINC000129815547	598021649	/nfs/dbraw/zinc/02/16/49/598021649.db2.gz	UJTLGYMVLKNBOT-UHFFFAOYSA-N	2	0	330.476	1.896	20	30		EDEDRP
C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N	ZINC000884196219	598023657	/nfs/dbraw/zinc/02/36/57/598023657.db2.gz	KVYBDYVNROPEJN-NNVNDSJASA-N	2	0	340.471	1.415	20	30		EDEDRP
CC(C)[N@H+](C)CC1CCN(C(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)CC1	ZINC000884197227	598024319	/nfs/dbraw/zinc/02/43/19/598024319.db2.gz	OATHKLBNQIICRX-TVRKMHQQSA-N	2	0	332.492	1.705	20	30		EDEDRP
C=CCC[NH+]1CC(N2CCN(C(=O)[C@@H](C)[NH+]3CCCCCC3)CC2)C1	ZINC000941594914	701587067	/nfs/dbraw/zinc/58/70/67/701587067.db2.gz	CUMHUYHNKDQQMJ-GOSISDBHSA-N	2	0	348.535	1.655	20	30		EDEDRP
C=CCC[NH+]1CC(N2CCN(C(=O)[C@@H]3CCC[C@H]([NH+](C)C)C3)CC2)C1	ZINC000941636687	701602147	/nfs/dbraw/zinc/60/21/47/701602147.db2.gz	UAGWURIWJVKZNW-MSOLQXFVSA-N	2	0	348.535	1.511	20	30		EDEDRP
C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)CC1(C)C	ZINC000995891799	702190247	/nfs/dbraw/zinc/19/02/47/702190247.db2.gz	DKEAYBMECYTVIT-DLBZAZTESA-N	2	0	335.492	1.642	20	30		EDEDRP
C=C(Br)C[NH2+][C@H]1CN(C(=O)C[NH+]2CCCC2)CC1(C)C	ZINC000996613721	702918694	/nfs/dbraw/zinc/91/86/94/702918694.db2.gz	XADGSWJCMGYUKX-ZDUSSCGKSA-N	2	0	344.297	1.817	20	30		EDEDRP
C=C(Br)C[NH2+][C@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)CC1(C)C	ZINC000995552128	703958633	/nfs/dbraw/zinc/95/86/33/703958633.db2.gz	PXMHULQKVKCGRF-OLZOCXBDSA-N	2	0	344.297	1.816	20	30		EDEDRP
CC#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)CC[C@@H]2C1	ZINC000946590660	704197583	/nfs/dbraw/zinc/19/75/83/704197583.db2.gz	GGEHCGPDMVZAJW-CEXWTWQISA-N	2	0	329.488	1.522	20	30		EDEDRP
C#CC[NH2+][C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)CC[C@H]1C(F)(F)F	ZINC000998306835	705711436	/nfs/dbraw/zinc/71/14/36/705711436.db2.gz	UUPGUVPTWYNURP-HUUCEWRRSA-N	2	0	345.409	1.721	20	30		EDEDRP
CN(C(=O)[C@@H]1CCC[N@@H+]1C)C1CC([NH2+]Cc2ccc(C#N)cc2F)C1	ZINC000998552897	705990588	/nfs/dbraw/zinc/99/05/88/705990588.db2.gz	UPORMFWGOVXXFY-HTWSVDAQSA-N	2	0	344.434	1.871	20	30		EDEDRP
C=C(Br)C[NH2+][C@H]1CCCN(C(=O)[C@@H](C2CC2)[NH+](C)C)C1	ZINC000999373577	706867942	/nfs/dbraw/zinc/86/79/42/706867942.db2.gz	QSVFGBKEFAOFPN-UONOGXRCSA-N	2	0	344.297	1.816	20	30		EDEDRP
C=C(Cl)C[NH2+][C@H]1CCCN(C(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1	ZINC000999764464	707318798	/nfs/dbraw/zinc/31/87/98/707318798.db2.gz	KMNLTMDLNHEYHO-KRIMKBQASA-N	2	0	339.867	1.183	20	30		EDEDRP
C#CCN(C(=O)NCC1CC[NH+](C2CC2)CC1)C1CC[NH+](C)CC1	ZINC000922223523	710471650	/nfs/dbraw/zinc/47/16/50/710471650.db2.gz	XBOJUYDBWNFBHZ-UHFFFAOYSA-N	2	0	332.492	1.600	20	30		EDEDRP
C[C@H](C[NH2+]Cc1cnc2ccc(C#N)cn12)CN1CC[NH+](C)CC1	ZINC000123627872	138320123	/nfs/dbraw/zinc/32/01/23/138320123.db2.gz	FMXNWGUJVMHOCX-OAHLLOKOSA-N	2	0	326.448	1.179	20	30		EDEDRP
COc1ccc(NC(=[NH2+])NC[C@H](C)N2CC[NH+](C)CC2)cc1OC	ZINC000264106189	249335691	/nfs/dbraw/zinc/33/56/91/249335691.db2.gz	PRAUOHRBUAXPJJ-ZDUSSCGKSA-N	2	0	335.452	1.066	20	30		EDEDRP
CN(CCC#N)C(=O)CC[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1	ZINC000375236925	250280912	/nfs/dbraw/zinc/28/09/12/250280912.db2.gz	KTOGBPXALUAWEY-UHFFFAOYSA-N	2	0	349.523	1.098	20	30		EDEDRP
C=CCNC(=O)NC(=O)C[NH+]1CCC2(C[C@H]2C[N@@H+](C)C2CC2)CC1	ZINC000374319317	250259620	/nfs/dbraw/zinc/25/96/20/250259620.db2.gz	XKFKWWIHXKDINE-AWEZNQCLSA-N	2	0	334.464	1.195	20	30		EDEDRP
C#CCNC(=O)CC[NH2+][C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1	ZINC000491681290	255140299	/nfs/dbraw/zinc/14/02/99/255140299.db2.gz	MGDIBMAREYYEEV-HNNXBMFYSA-N	2	0	346.450	1.368	20	30		EDEDRP
CO[C@H]1C[C@@H](C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)[N@H+](C)C1	ZINC000346412230	143202007	/nfs/dbraw/zinc/20/20/07/143202007.db2.gz	JADVNVUAALNUQH-ROUUACIJSA-N	2	0	344.459	1.168	20	30		EDEDRP
C[C@@H](O)C[N@H+](C)C1CCN(C[C@@H](O)COc2ccc(C#N)cc2)CC1	ZINC000357626748	151090896	/nfs/dbraw/zinc/09/08/96/151090896.db2.gz	LZEORACUWYNFDO-CRAIPNDOSA-N	2	0	347.459	1.075	20	30		EDEDRP
C[NH+]1CCN(C[C@H]2CCC[N@H+](CCOc3ccc(C#N)cc3)C2)CC1	ZINC000378300209	158133466	/nfs/dbraw/zinc/13/34/66/158133466.db2.gz	VXPBAWUPQMNHMG-IBGZPJMESA-N	2	0	342.487	1.896	20	30		EDEDRP
C[C@H](C[NH2+][C@@H]1CCC[C@@H]2O[C@H](CC#N)C[C@@H]21)CN1CC[NH+](C)CC1	ZINC000378455286	447430857	/nfs/dbraw/zinc/43/08/57/447430857.db2.gz	RPKTWKJRMUXXPH-NNIGNNQHSA-N	2	0	334.508	1.699	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)CC1	ZINC000066921474	441587025	/nfs/dbraw/zinc/58/70/25/441587025.db2.gz	OTXXAKWDVZHBDC-LJQANCHMSA-N	2	0	327.472	1.621	20	30		EDEDRP
C[NH+](C)CC1(CNC(=[NH2+])N2CCN(c3ncccn3)CC2)CCCC1	ZINC000262415923	443193256	/nfs/dbraw/zinc/19/32/56/443193256.db2.gz	YXULXEUHMPUZRN-UHFFFAOYSA-N	2	0	345.495	1.035	20	30		EDEDRP
C[NH+]=C(NC[C@@H](O)c1ccc(Cl)cc1)N1CC[C@H]([NH+]2CC=CC2)C1	ZINC000262776377	443211520	/nfs/dbraw/zinc/21/15/20/443211520.db2.gz	JKWPFOHVWJPAPA-DLBZAZTESA-N	2	0	348.878	1.895	20	30		EDEDRP
CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H](O)c1ccc(Cl)c(F)c1	ZINC000270579603	443476263	/nfs/dbraw/zinc/47/62/63/443476263.db2.gz	PSFWVCBVQHXMMQ-WFASDCNBSA-N	2	0	342.846	1.901	20	30		EDEDRP
COC[C@H](C)NC(=[NH2+])NCc1ccc(C[NH+]2CCC(O)CC2)cc1	ZINC000267414402	443448847	/nfs/dbraw/zinc/44/88/47/443448847.db2.gz	JAWYDYFNMDZBSG-AWEZNQCLSA-N	2	0	334.464	1.083	20	30		EDEDRP
C[NH+]1CCN(C[C@H](O)C[NH2+][C@@H]2CCCc3cc(C#N)ccc32)CC1	ZINC000574313499	321477900	/nfs/dbraw/zinc/47/79/00/321477900.db2.gz	UGWBAIYSUNULDW-IEBWSBKVSA-N	2	0	328.460	1.134	20	30		EDEDRP
CCOCCCNC(=[NH2+])NC[C@@H]1CC[N@H+](CCc2ccccc2)C1	ZINC000303867962	444237745	/nfs/dbraw/zinc/23/77/45/444237745.db2.gz	DFORMEVNTQVAKC-SFHVURJKSA-N	2	0	332.492	1.882	20	30		EDEDRP
CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCN(C)C(=O)OC(C)(C)C	ZINC000303976432	444238378	/nfs/dbraw/zinc/23/83/78/444238378.db2.gz	KFEGKNGGTNYGDI-CYBMUJFWSA-N	2	0	327.473	1.242	20	30		EDEDRP
CC(C)C[NH+]1CCC(NC(=O)N2CCC([N@H+](C)CCO)CC2)CC1	ZINC000331132271	444408295	/nfs/dbraw/zinc/40/82/95/444408295.db2.gz	TURPPYBQMJFZDZ-UHFFFAOYSA-N	2	0	340.512	1.409	20	30		EDEDRP
C[N@H+](CC1CC1)C[C@@H]1CCN(CC(=O)N(CCC#N)CCC#N)C1	ZINC000347539808	445242237	/nfs/dbraw/zinc/24/22/37/445242237.db2.gz	UFPHNHXEJAEVIK-KRWDZBQOSA-N	2	0	331.464	1.306	20	30		EDEDRP
C=CCNC(=O)[C@H](C)N(C)C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1	ZINC000364700570	445946810	/nfs/dbraw/zinc/94/68/10/445946810.db2.gz	BASHLJPMLDRFHO-YQQAZPJKSA-N	2	0	333.480	1.426	20	30		EDEDRP
C=CCNC(=O)[C@@H](C)N(C)C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1	ZINC000364700564	445947277	/nfs/dbraw/zinc/94/72/77/445947277.db2.gz	BASHLJPMLDRFHO-HLLBOEOZSA-N	2	0	333.480	1.426	20	30		EDEDRP
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CCC[C@@H]1C[NH3+]	ZINC000418467202	446555536	/nfs/dbraw/zinc/55/55/36/446555536.db2.gz	OFXODQQWQJYQTC-MSOLQXFVSA-N	2	0	343.475	1.759	20	30		EDEDRP
CC[N@@H+]1CC[C@@H](NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)C1	ZINC000413818684	447256114	/nfs/dbraw/zinc/25/61/14/447256114.db2.gz	OZVFROUXKBJFGE-GOSISDBHSA-N	2	0	343.475	1.726	20	30		EDEDRP
CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCC1(CC#N)CC1	ZINC000431206959	447793741	/nfs/dbraw/zinc/79/37/41/447793741.db2.gz	LWIYZZMYJMSWME-INIZCTEOSA-N	2	0	335.496	1.738	20	30		EDEDRP
C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1	ZINC000487238966	447828534	/nfs/dbraw/zinc/82/85/34/447828534.db2.gz	IECQLRSFTREJBP-WMZOPIPTSA-N	2	0	340.471	1.859	20	30		EDEDRP
CN(CCC#N)C[C@H](O)CNc1ccc2c(c1)N(C)CC[N@@H+](C)C2	ZINC000576746277	448130942	/nfs/dbraw/zinc/13/09/42/448130942.db2.gz	FIPKOMKAZHIIHP-QGZVFWFLSA-N	2	0	331.464	1.186	20	30		EDEDRP
N#Cc1ccc(CN2CC[C@H]([NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)C2=O)cc1	ZINC000592470822	448852019	/nfs/dbraw/zinc/85/20/19/448852019.db2.gz	KGHZULWSBMHWGS-HCXYKTFWSA-N	2	0	338.455	1.637	20	30		EDEDRP
N#Cc1cccc(C[NH+]2CCC(NC(=O)NC3CC[NH2+]CC3)CC2)c1	ZINC000593710785	449155875	/nfs/dbraw/zinc/15/58/75/449155875.db2.gz	MDHIUXRVTPDCLE-UHFFFAOYSA-N	2	0	341.459	1.574	20	30		EDEDRP
C[C@H]([NH3+])C[C@H](C)NC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000593715183	449158218	/nfs/dbraw/zinc/15/82/18/449158218.db2.gz	IJTBIICAAXSWHX-GJZGRUSLSA-N	2	0	343.475	1.948	20	30		EDEDRP
C[NH+]1CCN(c2ccc(NC(=O)[C@H]([NH3+])CCCCC#N)cn2)CC1	ZINC000594435984	449515319	/nfs/dbraw/zinc/51/53/19/449515319.db2.gz	KRKVPYQKFPEVLK-OAHLLOKOSA-N	2	0	330.436	1.183	20	30		EDEDRP
N#CCCCC[C@H]([NH3+])C(=O)NCC1([NH+]2CCCCC2)CCOCC1	ZINC000594439580	449518410	/nfs/dbraw/zinc/51/84/10/449518410.db2.gz	XMLGCLZOSURDAJ-INIZCTEOSA-N	2	0	336.480	1.549	20	30		EDEDRP
C[NH+]1CCN(Cc2ccc(C[NH2+]C[C@@H](O)CC(C)(C)C#N)cc2)CC1	ZINC000598715983	449559906	/nfs/dbraw/zinc/55/99/06/449559906.db2.gz	XAWZMVGGVRTLEB-IBGZPJMESA-N	2	0	344.503	1.824	20	30		EDEDRP
C=CC[NH+](CC=C)[C@H](CNC(=O)c1cn([C@@H]2CC[NH2+]C2)nn1)C(C)C	ZINC000649297131	451973477	/nfs/dbraw/zinc/97/34/77/451973477.db2.gz	KYYTWRZYYXSEEK-NVXWUHKLSA-N	2	0	346.479	1.241	20	30		EDEDRP
C=CC[C@]1(C(=O)N2CCN(c3cc(OC)cc[nH+]3)CC2)CCC[NH2+]1	ZINC000662719252	453443976	/nfs/dbraw/zinc/44/39/76/453443976.db2.gz	YLHCBERUCCXGEM-GOSISDBHSA-N	2	0	330.432	1.437	20	30		EDEDRP
C=CC[NH+]1CCC(NC(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)CC1	ZINC000660704795	453529658	/nfs/dbraw/zinc/52/96/58/453529658.db2.gz	QBWBLABLTGTOOV-QGZVFWFLSA-N	2	0	336.480	1.189	20	30		EDEDRP
C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CC[C@H](N2CC[NH+](CC)CC2)C1	ZINC000107372199	527635247	/nfs/dbraw/zinc/63/52/47/527635247.db2.gz	OEBKPCMWXUYYJJ-ROUUACIJSA-N	2	0	334.508	1.287	20	30		EDEDRP
C#CCNC(=O)C[N@H+](C)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1	ZINC000729926668	578602088	/nfs/dbraw/zinc/60/20/88/578602088.db2.gz	CAUPXGRZNKQETN-LJQANCHMSA-N	2	0	343.471	1.113	20	30		EDEDRP
C#CC[NH+]1CCC(Nc2cc(N3CC[C@@H]([C@H](C)O)C3)ncn2)CC1	ZINC000895812195	591278831	/nfs/dbraw/zinc/27/88/31/591278831.db2.gz	NZQBQSGAAIEHCK-LSDHHAIUSA-N	2	0	329.448	1.193	20	30		EDEDRP
CN(C)c1ccnc(C[NH2+]C[C@@H](O)COc2ccc(C#N)cc2)c1	ZINC000905525741	592560965	/nfs/dbraw/zinc/56/09/65/592560965.db2.gz	OWZDPSAVPGUKKE-QGZVFWFLSA-N	2	0	326.400	1.549	20	30		EDEDRP
CC[NH+](CC)CCOc1ccccc1NC(=O)N[C@@H]1C[NH2+]C[C@H]1C#N	ZINC000841026351	594841245	/nfs/dbraw/zinc/84/12/45/594841245.db2.gz	YOIDVRJBKWHJRY-GDBMZVCRSA-N	2	0	345.447	1.640	20	30		EDEDRP
C[C@H](CN1CC[NH+](C)CC1)[NH2+]Cc1ccc(N(C)CCC#N)cc1	ZINC000106483969	595310207	/nfs/dbraw/zinc/31/02/07/595310207.db2.gz	ASTBKAXMPWSFLL-QGZVFWFLSA-N	2	0	329.492	1.762	20	30		EDEDRP
C[NH+](C)C[C@H]1CN(C(=O)C#CC2CC[NH2+]CC2)c2ccccc2O1	ZINC000852872072	595591502	/nfs/dbraw/zinc/59/15/02/595591502.db2.gz	HMMATJZNWSBUDC-INIZCTEOSA-N	2	0	327.428	1.345	20	30		EDEDRP
C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)C#CC1CC[NH2+]CC1	ZINC000852884207	595597940	/nfs/dbraw/zinc/59/79/40/595597940.db2.gz	GSSVUPYAKXYBFK-VQIMIIECSA-N	2	0	325.456	1.626	20	30		EDEDRP
C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21	ZINC000867979634	596643249	/nfs/dbraw/zinc/64/32/49/596643249.db2.gz	LFPGHNXYYXVSQB-JEBQAFNWSA-N	2	0	326.444	1.544	20	30		EDEDRP
C=C(Cl)C[C@@H]([NH3+])C(=O)NC1CC[NH+](C2CCN(C)CC2)CC1	ZINC000876743059	597317257	/nfs/dbraw/zinc/31/72/57/597317257.db2.gz	XOMVRGQXASDVHK-OAHLLOKOSA-N	2	0	328.888	1.131	20	30		EDEDRP
CC(C)C[N@@H+]1CC[C@H](CNC(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)C1	ZINC000876762312	597328635	/nfs/dbraw/zinc/32/86/35/597328635.db2.gz	FSORQBHFKYOIFN-APWZRJJASA-N	2	0	340.471	1.839	20	30		EDEDRP
C=C(Cl)C[C@H]([NH3+])C(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1	ZINC000876785318	597339292	/nfs/dbraw/zinc/33/92/92/597339292.db2.gz	UTWHLEHRNTVGDJ-HNNXBMFYSA-N	2	0	342.915	1.523	20	30		EDEDRP
CC1(C)CC[C@@H](CNC(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)[NH2+]C1	ZINC000877152066	597443820	/nfs/dbraw/zinc/44/38/20/597443820.db2.gz	YUIGNZULFNROFA-DOTOQJQBSA-N	2	0	326.444	1.639	20	30		EDEDRP
N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1	ZINC000877340743	597495436	/nfs/dbraw/zinc/49/54/36/597495436.db2.gz	PMYGJRHKZQKRRN-AZUAARDMSA-N	2	0	346.434	1.576	20	30		EDEDRP
C[NH+]1CCN(C2CC[NH+](C[C@H](O)c3ccc(C#N)cc3)CC2)CC1	ZINC000879593362	597649203	/nfs/dbraw/zinc/64/92/03/597649203.db2.gz	YGJPBBRYERGCIY-IBGZPJMESA-N	2	0	328.460	1.303	20	30		EDEDRP
N#C[C@H]1C[NH2+]CC12CC(C(=O)NCC[N@@H+]1CCc3ccccc3C1)C2	ZINC000884189161	598020901	/nfs/dbraw/zinc/02/09/01/598020901.db2.gz	XOOFZVDXIXXKFV-FDYSRKEFSA-N	2	0	338.455	1.300	20	30		EDEDRP
C[N@H+](CCNC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N)Cc1ccccc1	ZINC000884199729	598025664	/nfs/dbraw/zinc/02/56/64/598025664.db2.gz	IDIQOJUKBMNQHZ-HFCFLWKCSA-N	2	0	326.444	1.374	20	30		EDEDRP
C#CCC[N@H+]1CCC[C@@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)[C@H]1C	ZINC000993582378	696234141	/nfs/dbraw/zinc/23/41/41/696234141.db2.gz	ZHTCZICFHJOMBH-NVXWUHKLSA-N	2	0	337.427	1.873	20	30		EDEDRP
C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1[NH2+]Cc1cc(C#N)ccc1F	ZINC000939753487	699902953	/nfs/dbraw/zinc/90/29/53/699902953.db2.gz	GCEPEOIGVTURBT-KDOFPFPSSA-N	2	0	344.434	1.730	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H]([NH2+]CC3CCOCC3)C2)CC1	ZINC000939807909	699956644	/nfs/dbraw/zinc/95/66/44/699956644.db2.gz	BGLLDIHQUIAUKJ-VQIMIIECSA-N	2	0	347.503	1.195	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3conc3C)C2)CC1	ZINC000939808209	699956925	/nfs/dbraw/zinc/95/69/25/699956925.db2.gz	CYSCDKSIKJWABZ-RDTXWAMCSA-N	2	0	344.459	1.265	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccccc3)C2)CC1	ZINC000939810385	699958712	/nfs/dbraw/zinc/95/87/12/699958712.db2.gz	MNJGGRPOVQNYKC-YLJYHZDGSA-N	2	0	339.483	1.968	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)N2CCC(C)([NH2+]C[C@@H]3CCOC3)CC2)CC1	ZINC000940472197	700657569	/nfs/dbraw/zinc/65/75/69/700657569.db2.gz	MYUYXEZGSPMGTL-KRWDZBQOSA-N	2	0	347.503	1.339	20	30		EDEDRP
C#CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C2CCOCC2)C(C)(C)C1	ZINC000940795886	700914938	/nfs/dbraw/zinc/91/49/38/700914938.db2.gz	WJSMXVCHAYPEOZ-ZWKOTPCHSA-N	2	0	347.503	1.480	20	30		EDEDRP
C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)CC1(C)C	ZINC000996069691	702480576	/nfs/dbraw/zinc/48/05/76/702480576.db2.gz	KUCXKSZQRLDUKM-YJTLQXIOSA-N	2	0	333.476	1.252	20	30		EDEDRP
CC#CC[N@@H+]1CC[C@@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)[C@H](C)C1	ZINC000942445947	702941823	/nfs/dbraw/zinc/94/18/23/702941823.db2.gz	YRHZFWQWIJRMGW-NVXWUHKLSA-N	2	0	337.427	1.731	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)N2C[C@H](C(F)(F)F)[C@@H](C[NH2+]CC)C2)CC1	ZINC000996861556	703144403	/nfs/dbraw/zinc/14/44/03/703144403.db2.gz	UTWCRKGIKMXUPU-GJZGRUSLSA-N	2	0	345.409	1.578	20	30		EDEDRP
N#Cc1ccccc1C[NH2+]C1CCN(C(=O)C23CC[NH+](CC2)C3)CC1	ZINC000997192031	703489324	/nfs/dbraw/zinc/48/93/24/703489324.db2.gz	ILVHUISDPZACOP-UHFFFAOYSA-N	2	0	338.455	1.735	20	30		EDEDRP
C#CCN(C(=O)NC1CC[NH+](C2CCC2)CC1)C1CC[NH+](C)CC1	ZINC000922769149	704320163	/nfs/dbraw/zinc/32/01/63/704320163.db2.gz	QTWHLJKTTAHCES-UHFFFAOYSA-N	2	0	332.492	1.742	20	30		EDEDRP
C=C(C)C[NH+]1CCC([C@H](C)NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)CC1	ZINC000997690483	704563048	/nfs/dbraw/zinc/56/30/48/704563048.db2.gz	BHXVFVJEPPVVCO-GBJJWRMUSA-N	2	0	347.503	1.642	20	30		EDEDRP
C#CC[N@H+]1CCC[C@@H](N(CC)C(=O)c2ccn(CC[NH+](C)C)n2)CC1	ZINC000998007463	705172432	/nfs/dbraw/zinc/17/24/32/705172432.db2.gz	OHKUADIKTCENCO-QGZVFWFLSA-N	2	0	345.491	1.395	20	30		EDEDRP
C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2ccc(C#N)c(F)c2)C1	ZINC000998718005	706149540	/nfs/dbraw/zinc/14/95/40/706149540.db2.gz	AFVHLHGPFDHATE-AEFFLSMTSA-N	2	0	344.434	1.872	20	30		EDEDRP
C=C(Br)C[NH2+][C@@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1	ZINC000999349162	706860965	/nfs/dbraw/zinc/86/09/65/706860965.db2.gz	QWHONUGUOBSLTE-CYBMUJFWSA-N	2	0	344.297	1.960	20	30		EDEDRP
CC[C@H](C(=O)N1CCC[C@@H]([NH2+]Cc2ccccc2C#N)C1)[NH+](C)C	ZINC000999489730	707025916	/nfs/dbraw/zinc/02/59/16/707025916.db2.gz	MHFUWUNZNBVVHQ-QZTJIDSGSA-N	2	0	328.460	1.979	20	30		EDEDRP
C#CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+](CCC)C3)CC[C@@H]2C1	ZINC000946728539	707253078	/nfs/dbraw/zinc/25/30/78/707253078.db2.gz	FYFIUELNNMTVDE-OTWHNJEPSA-N	2	0	331.504	1.912	20	30		EDEDRP
CN(C(=O)C12CC[NH+](CC1)C2)C1CC([NH2+]Cc2cccc(C#N)c2)C1	ZINC000999707592	707298853	/nfs/dbraw/zinc/29/88/53/707298853.db2.gz	IFXQSKRBYQSVDT-UHFFFAOYSA-N	2	0	338.455	1.733	20	30		EDEDRP
CN(C(=O)[C@H]1CC[NH+](C)C1)[C@H]1CC[N@H+](Cc2cccc(C#N)c2)C1	ZINC001033661583	708474651	/nfs/dbraw/zinc/47/46/51/708474651.db2.gz	LSKTWGUUDXMUQV-ROUUACIJSA-N	2	0	326.444	1.543	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)N(CC)[C@H]2CC[N@H+](C[C@@H](C)OC)C2)CC1	ZINC001034046686	709299735	/nfs/dbraw/zinc/29/97/35/709299735.db2.gz	UGTSQDANWXMOLU-AEFFLSMTSA-N	2	0	335.492	1.289	20	30		EDEDRP
C[C@@H]1CC[N@H+](CC(=O)NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1	ZINC001003626960	710457196	/nfs/dbraw/zinc/45/71/96/710457196.db2.gz	YLMDFQTXWQZGFQ-MRXNPFEDSA-N	2	0	340.471	1.981	20	30		EDEDRP
C[NH+](C)[C@H](C(=O)N1CCC[C@@H]1C[NH2+]Cc1cccc(C#N)c1)C1CC1	ZINC001034958916	711433248	/nfs/dbraw/zinc/43/32/48/711433248.db2.gz	OWRBEOJQTWRDMO-MOPGFXCFSA-N	2	0	340.471	1.979	20	30		EDEDRP
C=CCOc1ccccc1C[N@@H+]1CCC[C@H](N2CCNCC2=O)C1	ZINC000362688445	250183339	/nfs/dbraw/zinc/18/33/39/250183339.db2.gz	ZOKVYYLFUCYELP-KRWDZBQOSA-N	2	0	329.444	1.648	20	30		EDEDRP
CN(CCC#N)C(=O)CC[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1	ZINC000374779390	250272054	/nfs/dbraw/zinc/27/20/54/250272054.db2.gz	LDHXONGYYMMZPB-UHFFFAOYSA-N	2	0	343.475	1.992	20	30		EDEDRP
C[C@H](CCC[NH3+])NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1	ZINC000418685734	251386807	/nfs/dbraw/zinc/38/68/07/251386807.db2.gz	DRQACAVEFGXPAR-OAHLLOKOSA-N	2	0	331.464	1.759	20	30		EDEDRP
C[N@@H+]1CCC[C@@H](CC[NH2+]CCS(=O)(=O)c2cccc(C#N)c2)C1	ZINC000521031219	267335588	/nfs/dbraw/zinc/33/55/88/267335588.db2.gz	WERAOJSGLNIQNL-HNNXBMFYSA-N	2	0	335.473	1.653	20	30		EDEDRP
C[N@@H+]1CCN(CC[NH2+][C@@H]2CCC[C@@H]3O[C@H](CC#N)C[C@H]32)CC1(C)C	ZINC000374241571	290044464	/nfs/dbraw/zinc/04/44/64/290044464.db2.gz	NZWRVKHKQUXPSH-XDNAFOTISA-N	2	0	334.508	1.842	20	30		EDEDRP
C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CCC[C@@H](CN2CC[NH+](C)CC2)C1	ZINC000378431803	447427258	/nfs/dbraw/zinc/42/72/58/447427258.db2.gz	OUHIXTSCTMBQEH-MOPGFXCFSA-N	2	0	348.535	1.535	20	30		EDEDRP
C[C@H](C(=O)N(C)CCC#N)[NH+]1CCC(OCC[NH+]2CCCC2)CC1	ZINC000173961747	441869761	/nfs/dbraw/zinc/86/97/61/441869761.db2.gz	ZRUWZVOYWSVKMR-MRXNPFEDSA-N	2	0	336.480	1.324	20	30		EDEDRP
CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCc1ccc2c(c1)OCCO2	ZINC000170905849	442286743	/nfs/dbraw/zinc/28/67/43/442286743.db2.gz	BSGRZOSEMFESGO-OAHLLOKOSA-N	2	0	332.448	1.389	20	30		EDEDRP
CC[NH+]=C(NC[C@](C)(O)c1ccco1)N1CC[C@H]([NH+]2CC=CC2)C1	ZINC000130725828	442354494	/nfs/dbraw/zinc/35/44/94/442354494.db2.gz	ICATVDPHXZTTGA-YJBOKZPZSA-N	2	0	332.448	1.399	20	30		EDEDRP
CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCC1CCN(c2cc[nH+]cc2)CC1	ZINC000179738399	442496553	/nfs/dbraw/zinc/49/65/53/442496553.db2.gz	YPTQWZNDIKSVPP-GOSISDBHSA-N	3	0	344.507	1.687	20	30		EDEDRP
C[NH+](C)C[C@](C)(O)CNC1CC[NH+](Cc2ccc(C#N)cc2)CC1	ZINC000182066139	442732998	/nfs/dbraw/zinc/73/29/98/442732998.db2.gz	OVBDVIBUSXRHFH-LJQANCHMSA-N	2	0	330.476	1.425	20	30		EDEDRP
COC[C@@H](C)NC(=[NH2+])NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1	ZINC000190535541	443130550	/nfs/dbraw/zinc/13/05/50/443130550.db2.gz	WZZRMAJPIXLEQD-NVXWUHKLSA-N	2	0	334.464	1.217	20	30		EDEDRP
CC1(C)CN(C2(CNC(=[NH2+])N3CCOCC3)CCCCC2)CCO1	ZINC000262547821	443199548	/nfs/dbraw/zinc/19/95/48/443199548.db2.gz	WCGUCWPLVKZCQL-UHFFFAOYSA-N	2	0	338.496	1.447	20	30		EDEDRP
CN1CC[N@H+](C)C[C@@H]1CNC(=[NH2+])Nc1ccccc1OC(F)(F)F	ZINC000262845880	443214842	/nfs/dbraw/zinc/21/48/42/443214842.db2.gz	VTLJWRJKZKFNCJ-NSHDSACASA-N	2	0	345.369	1.558	20	30		EDEDRP
Cn1ccnc1N1CC[NH+](CCC(=O)Nc2ccc(C#N)cc2)CC1	ZINC000266887294	443280316	/nfs/dbraw/zinc/28/03/16/443280316.db2.gz	BUYVKCOTYYNKMF-UHFFFAOYSA-N	2	0	338.415	1.443	20	30		EDEDRP
CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCCNC(=O)c1occc1C	ZINC000267395158	443442823	/nfs/dbraw/zinc/44/28/23/443442823.db2.gz	DVQMKEJGEZJURB-CQSZACIVSA-N	2	0	335.452	1.097	20	30		EDEDRP
C=CC[NH+](CC=C)[C@H](CNC(=O)NC[C@@](C)(O)C[NH+](C)C)C(C)C	ZINC000269935422	443455894	/nfs/dbraw/zinc/45/58/94/443455894.db2.gz	VGFKEDSOHZJZNQ-SJLPKXTDSA-N	2	0	340.512	1.297	20	30		EDEDRP
CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCOc1ccc(F)c(F)c1	ZINC000267447653	443460663	/nfs/dbraw/zinc/46/06/63/443460663.db2.gz	QMHMADKSFFJFFS-LBPRGKRZSA-N	2	0	326.391	1.732	20	30		EDEDRP
Cn1ccnc1CN1C[C@@H](F)C[C@H]1C[N@H+](C)Cc1ccc(C#N)o1	ZINC000280004646	443654873	/nfs/dbraw/zinc/65/48/73/443654873.db2.gz	TWGZFMIAKSCWGX-KBPBESRZSA-N	2	0	331.395	1.929	20	30		EDEDRP
CCN1CCO[C@@H](CNC(=[NH2+])N[C@@H](C)COC)[C@@H]1c1ccccc1	ZINC000284976034	443804884	/nfs/dbraw/zinc/80/48/84/443804884.db2.gz	GLAGSPCRCYWUFY-XIRDDKMYSA-N	2	0	334.464	1.388	20	30		EDEDRP
Cn1ccnc1[C@@H](NC(=O)NC1CC[NH+](C)CC1)C1CCOCC1	ZINC000329003130	444441957	/nfs/dbraw/zinc/44/19/57/444441957.db2.gz	XYQJSCHFSBMBIN-HNNXBMFYSA-N	2	0	335.452	1.486	20	30		EDEDRP
CN(CC[NH+]1CCCC1)C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1	ZINC000330299178	444928558	/nfs/dbraw/zinc/92/85/58/444928558.db2.gz	HVQKLPLFHUMVIK-SJORKVTESA-N	2	0	338.496	1.306	20	30		EDEDRP
C(#CCN1CC[N@@H+]2CCCC[C@@H]2C1)CN1CC[NH+]2CCCC[C@@H]2C1	ZINC000341902599	445062775	/nfs/dbraw/zinc/06/27/75/445062775.db2.gz	AAJBSZOAAWBIMX-WOJBJXKFSA-N	2	0	330.520	1.330	20	30		EDEDRP
C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1	ZINC000362549524	445434009	/nfs/dbraw/zinc/43/40/09/445434009.db2.gz	BZIXIYKIXIUHLK-QAPCUYQASA-N	2	0	328.460	1.646	20	30		EDEDRP
Cn1ccnc1CN1C[C@@H](F)C[C@@H]1C[N@H+](C)Cc1ccc(C#N)o1	ZINC000354935963	445434852	/nfs/dbraw/zinc/43/48/52/445434852.db2.gz	TWGZFMIAKSCWGX-UONOGXRCSA-N	2	0	331.395	1.929	20	30		EDEDRP
C[NH+](C)CCOCC[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1	ZINC000361457001	445769204	/nfs/dbraw/zinc/76/92/04/445769204.db2.gz	PGNGWEANQKNZLK-UHFFFAOYSA-N	2	0	330.476	1.690	20	30		EDEDRP
C(#CC[N@@H+]1CCC[C@@]2(CCOC2)C1)C[NH+]1CCC[C@]2(CCOC2)C1	ZINC000451912357	447781612	/nfs/dbraw/zinc/78/16/12/447781612.db2.gz	SQJMQUMKXGXWFX-BGYRXZFFSA-N	2	0	332.488	1.995	20	30		EDEDRP
C[C@@H]1C[N@H+](CCC[NH2+]C[C@H](O)COc2ccc(C#N)cc2)CCCO1	ZINC000577502886	448315428	/nfs/dbraw/zinc/31/54/28/448315428.db2.gz	IISBDVZTFSUCBD-AEFFLSMTSA-N	2	0	347.459	1.388	20	30		EDEDRP
N#Cc1ccc(C[N@H+]2CCCN(C(=O)NC/C=C/C[NH3+])CC2)cc1	ZINC000591360893	448345583	/nfs/dbraw/zinc/34/55/83/448345583.db2.gz	HDPOTHVCVWZJAP-OWOJBTEDSA-N	2	0	327.432	1.290	20	30		EDEDRP
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCC[N@H+](C)C1	ZINC000604290970	449202310	/nfs/dbraw/zinc/20/23/10/449202310.db2.gz	ZNIZPPKFUKINBQ-GOSISDBHSA-N	2	0	343.475	1.726	20	30		EDEDRP
C[C@@H](C[N@H+](C)CCC[NH+](C)C)Nc1cc(N)c([N+](=O)[O-])c(C#N)c1	ZINC000596361962	449482679	/nfs/dbraw/zinc/48/26/79/449482679.db2.gz	WGWNDOGBEPQEKC-LBPRGKRZSA-N	2	0	334.424	1.733	20	30		EDEDRP
N#Cc1cccnc1OC1CCC([NH2+]C[C@@H](O)C[NH+]2CCCC2)CC1	ZINC000600732759	449523464	/nfs/dbraw/zinc/52/34/64/449523464.db2.gz	FJYFVSUUQLXBKS-LXPRWKDFSA-N	2	0	344.459	1.690	20	30		EDEDRP
C[C@@]1(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)C[NH2+]CCO1	ZINC000602522606	449648862	/nfs/dbraw/zinc/64/88/62/449648862.db2.gz	UMNSBHPSZHCAMG-IBGZPJMESA-N	2	0	342.443	1.017	20	30		EDEDRP
CN(CC(=O)N1CCN(C)CC1)Cc1ccccc1C(C)(C)C#N	ZINC000602989238	449984050	/nfs/dbraw/zinc/98/40/50/449984050.db2.gz	ISQDPHSSJYQZHA-UHFFFAOYSA-N	2	0	328.460	1.694	20	30		EDEDRP
C=CC[C@]1(C(=O)Nc2ccc(C(=O)NCC[NH+](C)C)cc2)CCC[NH2+]1	ZINC000638527554	451559550	/nfs/dbraw/zinc/55/95/50/451559550.db2.gz	UXFYHMJOPSRWES-LJQANCHMSA-N	2	0	344.459	1.615	20	30		EDEDRP
C=C[C@@H]1OCC[C@H]1NC(=O)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1	ZINC000656183675	452945530	/nfs/dbraw/zinc/94/55/30/452945530.db2.gz	NXKSPIOTMKMIQX-BBWFWOEESA-N	2	0	336.480	1.140	20	30		EDEDRP
C[NH+]=C(NCC1CCN(C(C)=O)CC1)NC1CC[NH+](CC2CC2)CC1	ZINC000176011070	526352463	/nfs/dbraw/zinc/35/24/63/526352463.db2.gz	OLMOKCZUKAUSSY-UHFFFAOYSA-N	2	0	349.523	1.284	20	30		EDEDRP
CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(F)c(C[NH+](C)C)c1	ZINC000267387344	535548586	/nfs/dbraw/zinc/54/85/86/535548586.db2.gz	CAIIMUXVFSWPHX-MRXNPFEDSA-N	3	0	335.471	1.776	20	30		EDEDRP
C#CCNC(=O)C[NH2+][C@H](C)c1cc(F)ccc1N1CC[NH+](CC)CC1	ZINC000775303157	580387595	/nfs/dbraw/zinc/38/75/95/580387595.db2.gz	MVRKMJJWHOFVIS-OAHLLOKOSA-N	2	0	346.450	1.368	20	30		EDEDRP
CC(C)Oc1ccc(NC(=[NH2+])NC[C@@H](C)N2CC[NH+](C)CC2)cc1	ZINC000104182709	590800370	/nfs/dbraw/zinc/80/03/70/590800370.db2.gz	ZAGBHCGBYPOXQN-OAHLLOKOSA-N	2	0	333.480	1.836	20	30		EDEDRP
C=C(CC[NH+](C)C)C(=O)NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1	ZINC000912394581	593092563	/nfs/dbraw/zinc/09/25/63/593092563.db2.gz	UEHFYORDFZUBMA-SFHVURJKSA-N	2	0	331.460	1.377	20	30		EDEDRP
CC[NH+]1CCN(C[C@H](C)C[NH2+]C[C@@H](O)c2ccc(C#N)cc2)CC1	ZINC000819058369	593736487	/nfs/dbraw/zinc/73/64/87/593736487.db2.gz	JGFJGSMFAHIWQD-VQIMIIECSA-N	2	0	330.476	1.455	20	30		EDEDRP
CC(C)[NH+]1CCN(CCC[N@H+](C)C[C@H](O)c2cccc(C#N)c2)CC1	ZINC000844370959	595332385	/nfs/dbraw/zinc/33/23/85/595332385.db2.gz	LINZWMPESRFRKX-FQEVSTJZSA-N	2	0	344.503	1.940	20	30		EDEDRP
C#CCC[NH+]1CCC(NC(=O)C2CC[NH+]([C@H]3CCSC3)CC2)CC1	ZINC000847514632	595438325	/nfs/dbraw/zinc/43/83/25/595438325.db2.gz	HWLJHCDJJHRNSK-SFHVURJKSA-N	2	0	349.544	1.808	20	30		EDEDRP
C[NH+]1CCN(c2ccccc2NC(=O)C#CC2CC[NH2+]CC2)CC1	ZINC000852872450	595591728	/nfs/dbraw/zinc/59/17/28/595591728.db2.gz	MWPWRBVOAVSTCJ-UHFFFAOYSA-N	2	0	326.444	1.380	20	30		EDEDRP
O=C(C#CC1CC[NH2+]CC1)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1	ZINC000852894419	595602756	/nfs/dbraw/zinc/60/27/56/595602756.db2.gz	VWXAZBIOAPHDFL-VQTJNVASSA-N	2	0	337.467	1.722	20	30		EDEDRP
CN(C)c1ccc(C#N)cc1C[NH2+]CCN1CC[N@H+](C)C(C)(C)C1	ZINC000865552888	596609058	/nfs/dbraw/zinc/60/90/58/596609058.db2.gz	REAGHORPMFGUNI-UHFFFAOYSA-N	2	0	329.492	1.740	20	30		EDEDRP
C[NH+](C)C[C@@H]1CN(C(=O)NCC(C)(C)CCC#N)C[C@H]1C[NH+](C)C	ZINC000875583275	596905363	/nfs/dbraw/zinc/90/53/63/596905363.db2.gz	KNZMHQOKRAUDLS-HZPDHXFCSA-N	2	0	337.512	1.697	20	30		EDEDRP
C=C(Cl)C[C@H]([NH3+])C(=O)NCC1([NH+]2CCCCC2)CCOCC1	ZINC000876763837	597329545	/nfs/dbraw/zinc/32/95/45/597329545.db2.gz	JDCPJXBESAAQHV-AWEZNQCLSA-N	2	0	329.872	1.608	20	30		EDEDRP
C=C(Cl)C[C@H]([NH3+])C(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1	ZINC000876879326	597366800	/nfs/dbraw/zinc/36/68/00/597366800.db2.gz	QFTUHRHBXKZIQL-GJZGRUSLSA-N	2	0	328.888	1.085	20	30		EDEDRP
CC(C)[C@@H](C[NH2+]Cc1cc(C#N)cnc1Cl)N1CC[NH+](C)CC1	ZINC000876923099	597386078	/nfs/dbraw/zinc/38/60/78/597386078.db2.gz	CSUXLQRQTUQLPY-MRXNPFEDSA-N	2	0	335.883	1.968	20	30		EDEDRP
C=C(Cl)C[C@@H]([NH3+])C(=O)N1CC[C@H](c2ccc(F)cc2)[C@@H]([NH3+])C1	ZINC000876926084	597386664	/nfs/dbraw/zinc/38/66/64/597386664.db2.gz	KPAMQCVRROQNMY-KFWWJZLASA-N	2	0	325.815	1.939	20	30		EDEDRP
COCC[N@@H+](CC(=O)N[C@](C)(C#N)C(C)C)CC1CC[NH+](C)CC1	ZINC000879122067	597825749	/nfs/dbraw/zinc/82/57/49/597825749.db2.gz	IWGUMJKFAOWVMQ-GOSISDBHSA-N	2	0	338.496	1.331	20	30		EDEDRP
N#C[C@H]1C[NH2+]CC12CC(C(=O)N1CCC(C[NH+]3CCCC3)CC1)C2	ZINC000884189296	598020777	/nfs/dbraw/zinc/02/07/77/598020777.db2.gz	BLVJUCVXKBKBPW-HFCFLWKCSA-N	2	0	330.476	1.460	20	30		EDEDRP
N#C[C@@H]1C[NH2+]CC12CC(C(=O)N1CCC[C@@H]([NH+]3CCCC3)CC1)C2	ZINC000884224379	598035653	/nfs/dbraw/zinc/03/56/53/598035653.db2.gz	OHXSJBUBOSSRDP-VZDIDWBNSA-N	2	0	330.476	1.603	20	30		EDEDRP
CC1([NH+]2CCCC2)CCN(C(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)CC1	ZINC000884454265	598110010	/nfs/dbraw/zinc/11/00/10/598110010.db2.gz	JAQLPXRDSAXZPF-WUJZJPHMSA-N	2	0	330.476	1.603	20	30		EDEDRP
C#CC[NH+]1CCC(NC(=O)NC[C@@H](C)[N@H+](C)Cc2ccccc2)CC1	ZINC000917874089	697096689	/nfs/dbraw/zinc/09/66/89/697096689.db2.gz	VPWZNMDJACAORA-QGZVFWFLSA-N	2	0	342.487	1.904	20	30		EDEDRP
C=C(Cl)C[NH2+][C@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@@H]1C	ZINC000939421642	699557642	/nfs/dbraw/zinc/55/76/42/699557642.db2.gz	IZPUVDZFIVAAHW-WFASDCNBSA-N	2	0	329.872	1.286	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)N2C[C@H](C)[C@H]([NH2+]Cc3cnoc3C)C2)CC1	ZINC000939810037	699958366	/nfs/dbraw/zinc/95/83/66/699958366.db2.gz	KRPGQJDJIGZYMN-KBXCAEBGSA-N	2	0	344.459	1.265	20	30		EDEDRP
C#CCC[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](CC#C)CC2)C(C)(C)C1	ZINC000941239820	701429811	/nfs/dbraw/zinc/42/98/11/701429811.db2.gz	VEZLHUQINJPTEI-SFHVURJKSA-N	2	0	329.488	1.572	20	30		EDEDRP
C#CCN1CC[NH+](C2CCC(NC(=O)C[N@H+]3CCC[C@@H]3C)CC2)CC1	ZINC000996789008	703081601	/nfs/dbraw/zinc/08/16/01/703081601.db2.gz	JCPIGAZCJNCNJL-VIQWUECVSA-N	2	0	346.519	1.149	20	30		EDEDRP
C=CC[NH+]1CC[C@@H](CN(Cc2cccnc2)C(=O)[C@@H]2CC[N@@H+](C)C2)C1	ZINC000995266836	703183791	/nfs/dbraw/zinc/18/37/91/703183791.db2.gz	IXQLBCDZYOFOBJ-RTBURBONSA-N	2	0	342.487	1.870	20	30		EDEDRP
C=C(C)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1	ZINC001032408879	703438082	/nfs/dbraw/zinc/43/80/82/703438082.db2.gz	MACREHHLQMVFEA-OKYOBFRVSA-N	2	0	347.503	1.595	20	30		EDEDRP
C=C(C)CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)C[NH+]1CCOCC1	ZINC001032474934	703696185	/nfs/dbraw/zinc/69/61/85/703696185.db2.gz	BCQIRELUYRXVRE-IRXDYDNUSA-N	2	0	335.492	1.596	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)NC2CC[NH+](C[C@H]3CC[C@@H](C)O3)CC2)CC1	ZINC001004201923	703931776	/nfs/dbraw/zinc/93/17/76/703931776.db2.gz	SPTCSNGPYHEPBN-VQIMIIECSA-N	2	0	347.503	1.480	20	30		EDEDRP
C#CCC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1	ZINC001033093446	704170934	/nfs/dbraw/zinc/17/09/34/704170934.db2.gz	UJBMBKATYWQMCH-QRVBRYPASA-N	2	0	347.503	1.289	20	30		EDEDRP
CN(C(=O)C[NH+]1CCCC1)C1CC([NH2+]Cc2cccc(C#N)c2)C1	ZINC000999834212	707467032	/nfs/dbraw/zinc/46/70/32/707467032.db2.gz	UIQQCLGKDRXEIZ-UHFFFAOYSA-N	2	0	326.444	1.733	20	30		EDEDRP
C=CCC[NH+]1CC[C@H](n2cc(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)nn2)C1	ZINC000999986228	707657482	/nfs/dbraw/zinc/65/74/82/707657482.db2.gz	GAEAQXWRMBWSQJ-HYVNUMGLSA-N	2	0	346.479	1.057	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)N(C)[C@@H]2CC[N@H+](CCC(F)(F)F)C2)CC1	ZINC001033688622	708495866	/nfs/dbraw/zinc/49/58/66/708495866.db2.gz	SBBPHXRLYDFKHL-OAHLLOKOSA-N	2	0	345.409	1.817	20	30		EDEDRP
CC#CCN1CC[C@@H](N(CC)C(=O)c2ccn(CC[NH+](C)C)n2)C1	ZINC001033837801	708867294	/nfs/dbraw/zinc/86/72/94/708867294.db2.gz	OTZLMVACFVHWIE-MRXNPFEDSA-N	2	0	331.464	1.004	20	30		EDEDRP
C#CC[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1	ZINC001034208298	709557484	/nfs/dbraw/zinc/55/74/84/709557484.db2.gz	ATGCMDDYANUPMI-QRVBRYPASA-N	2	0	347.503	1.337	20	30		EDEDRP
C=C(Cl)C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1	ZINC001034653754	710328914	/nfs/dbraw/zinc/32/89/14/710328914.db2.gz	RILWIKMZRMGNFB-KLHDSHLOSA-N	2	0	341.883	1.619	20	30		EDEDRP
CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ncc(C#N)cc1C	ZINC000559397685	306254766	/nfs/dbraw/zinc/25/47/66/306254766.db2.gz	VHQNLKDGKBRSEB-QGZVFWFLSA-N	2	0	343.475	1.750	20	30		EDEDRP
N#CCCC[C@@H]([NH3+])C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1	ZINC000424176263	252154497	/nfs/dbraw/zinc/15/44/97/252154497.db2.gz	RRNLDPZIJLADKA-ZWKOTPCHSA-N	2	0	344.459	1.415	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)N2CC[C@H](OCC[NH+](CC)CC)C2)CC1	ZINC000490780146	255107241	/nfs/dbraw/zinc/10/72/41/255107241.db2.gz	DOXYCTILDPNPIT-SFHVURJKSA-N	2	0	335.492	1.291	20	30		EDEDRP
C[NH+](C)C/C=C\C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1	ZINC000491643222	255136830	/nfs/dbraw/zinc/13/68/30/255136830.db2.gz	NYNLYCVGQINNME-HYXAFXHYSA-N	2	0	326.444	1.710	20	30		EDEDRP
CC[NH+](CC)CCNC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1	ZINC000298628996	266116326	/nfs/dbraw/zinc/11/63/26/266116326.db2.gz	HIXWLQZHDIYGNS-UHFFFAOYSA-N	2	0	345.491	1.973	20	30		EDEDRP
N#Cc1ccccc1OC[C@H](O)C[NH2+]C1CC[NH+](CC2CC2)CC1	ZINC000530231144	268303646	/nfs/dbraw/zinc/30/36/46/268303646.db2.gz	MUWSCUYLULLFTC-GOSISDBHSA-N	2	0	329.444	1.762	20	30		EDEDRP
CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccc(C#N)nc1	ZINC000115354773	276370977	/nfs/dbraw/zinc/37/09/77/276370977.db2.gz	XBQYRVAETJMGKJ-QGZVFWFLSA-N	2	0	329.448	1.441	20	30		EDEDRP
N#CCCC[C@H]([NH3+])C(=O)NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1	ZINC000424181753	303151931	/nfs/dbraw/zinc/15/19/31/303151931.db2.gz	YBDAJDJYEBPPQF-UAGQMJEPSA-N	2	0	332.423	1.656	20	30		EDEDRP
C[N@@H+]1CCCN(CCCNC(=[NH2+])N[C@@H]2CCOc3ccccc32)CC1	ZINC000083034786	441348101	/nfs/dbraw/zinc/34/81/01/441348101.db2.gz	AVZXYMCRMWDEKF-QGZVFWFLSA-N	2	0	345.491	1.442	20	30		EDEDRP
CN(C)C(NCc1ccccc1)=[NH+]C[C@@H]1C[N@@H+]2CCCC[C@@H]2CO1	ZINC000090064907	441618361	/nfs/dbraw/zinc/61/83/61/441618361.db2.gz	XEDFIBSJXPVNPU-QZTJIDSGSA-N	2	0	330.476	1.947	20	30		EDEDRP
[NH2+]=C(NCc1ccccc1C[N@H+]1CC[C@H](O)C1)Nc1ccccn1	ZINC000180453711	442604679	/nfs/dbraw/zinc/60/46/79/442604679.db2.gz	HUNYJOOEJLIWCH-INIZCTEOSA-N	2	0	325.416	1.575	20	30		EDEDRP
COC[C@H](C)NC(=[NH2+])NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1	ZINC000190535521	443130570	/nfs/dbraw/zinc/13/05/70/443130570.db2.gz	WZZRMAJPIXLEQD-DOTOQJQBSA-N	2	0	334.464	1.217	20	30		EDEDRP
CC[NH+]=C(NC[C@@H]1CCC[N@@H+]1C)N1CC[C@H](Oc2ccccn2)C1	ZINC000261934335	443174688	/nfs/dbraw/zinc/17/46/88/443174688.db2.gz	CDTOYTMBZHVBBE-HOTGVXAUSA-N	2	0	331.464	1.594	20	30		EDEDRP
CC(C)C[N@@H+]1CCC[C@@H]1CNC(=[NH2+])N1CCN(c2ncccn2)CC1	ZINC000262770464	443211686	/nfs/dbraw/zinc/21/16/86/443211686.db2.gz	HKUMDNCJDKJXKL-MRXNPFEDSA-N	2	0	345.495	1.034	20	30		EDEDRP
[NH2+]=C(NCCCC[NH+]1CCN(Cc2ccccc2)CC1)NC1CC1	ZINC000264121575	443251041	/nfs/dbraw/zinc/25/10/41/443251041.db2.gz	VBGOVYCSJWKCTG-UHFFFAOYSA-N	2	0	329.492	1.651	20	30		EDEDRP
CCc1cccc(NC(=[NH2+])NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)c1	ZINC000264164739	443253990	/nfs/dbraw/zinc/25/39/90/443253990.db2.gz	BXWDUVCKWPRVOF-QGZVFWFLSA-N	2	0	345.491	1.918	20	30		EDEDRP
CC[N@@H+]1CCCC[C@H]1CNC(=[NH2+])NCc1ccc(OC)c(OC)c1	ZINC000267430401	443454906	/nfs/dbraw/zinc/45/49/06/443454906.db2.gz	MLIBRBMAPSOCFQ-HNNXBMFYSA-N	2	0	334.464	1.983	20	30		EDEDRP
C[N@@H+]1CC[C@@]2(CCN(CC(=O)N(CCC#N)c3ccccc3)C2)C1	ZINC000292233954	443784900	/nfs/dbraw/zinc/78/49/00/443784900.db2.gz	WCKUTMFNGAWHPV-LJQANCHMSA-N	2	0	326.444	1.961	20	30		EDEDRP
Cc1cccc(N2CC[NH+](CCCCNC3=[NH+]C[C@@H](C)N3)CC2)c1	ZINC000285110412	443859254	/nfs/dbraw/zinc/85/92/54/443859254.db2.gz	PEQFHOVLOFBUGP-QGZVFWFLSA-N	2	0	329.492	1.835	20	30		EDEDRP
C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+](C)CCCN(C)CC[NH+](C)C	ZINC000289399813	444130346	/nfs/dbraw/zinc/13/03/46/444130346.db2.gz	KWJLCZSJGPWMQL-INIZCTEOSA-N	2	0	345.491	1.701	20	30		EDEDRP
C#CC[N@@H+](C)CCCNC(=O)N(CC[NH+](C)C)Cc1ccccc1F	ZINC000297315831	444281836	/nfs/dbraw/zinc/28/18/36/444281836.db2.gz	IMUPKMKLZXREOD-UHFFFAOYSA-N	2	0	348.466	1.854	20	30		EDEDRP
C[N@H+](CCCC[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)C1CC1	ZINC000580064737	322003447	/nfs/dbraw/zinc/00/34/47/322003447.db2.gz	RYXUZXVUCRUPNF-UHFFFAOYSA-N	2	0	336.461	1.191	20	30		EDEDRP
C=C(C)C[NH+]1CCC(NC(=O)NCCCC[NH+]2CCOCC2)CC1	ZINC000358196472	445611001	/nfs/dbraw/zinc/61/10/01/445611001.db2.gz	VZIKCKYUXIERAG-UHFFFAOYSA-N	2	0	338.496	1.439	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](C[C@@H]3CCCO3)C[C@H]2C)CC1	ZINC000364547090	445930666	/nfs/dbraw/zinc/93/06/66/445930666.db2.gz	OVDIOYZMLKQAQX-NZSAHSFTSA-N	2	0	347.503	1.337	20	30		EDEDRP
C[NH+]1CC[C@@H]2CCN(CC#CCN3CC[C@@H]4CC[N@@H+](C)[C@@H]4C3)C[C@H]21	ZINC000367458760	446547958	/nfs/dbraw/zinc/54/79/58/446547958.db2.gz	OCPCYKNIJUAQPQ-IYWMVGAKSA-N	2	0	330.520	1.042	20	30		EDEDRP
C[C@@H](CNC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)[NH+](C)C	ZINC000455447484	447132097	/nfs/dbraw/zinc/13/20/97/447132097.db2.gz	ZNWCKKOYEBGWDO-INIZCTEOSA-N	2	0	343.475	1.726	20	30		EDEDRP
C=CC[NH+](CC=C)[C@H](CNC(=O)NC[C@H]1C[NH2+]CCCO1)C(C)C	ZINC000417064391	447732741	/nfs/dbraw/zinc/73/27/41/447732741.db2.gz	ONPUFWXDCLTRLD-IAGOWNOFSA-N	2	0	338.496	1.363	20	30		EDEDRP
C=C(C)C[NH+]1CCC(NC(=O)N[C@H]2CCC[N@H+](CCCO)C2)CC1	ZINC000458312274	447766103	/nfs/dbraw/zinc/76/61/03/447766103.db2.gz	BFVNHWPCIDGZTG-KRWDZBQOSA-N	2	0	338.496	1.173	20	30		EDEDRP
CC(C)N1CC[NH+](C2CCN(Cc3ccncc3C#N)CC2)CC1	ZINC000592087340	448672772	/nfs/dbraw/zinc/67/27/72/448672772.db2.gz	UCFGKXWONFYANR-UHFFFAOYSA-N	2	0	327.476	1.944	20	30		EDEDRP
C=C[C@@H]1OCC[C@H]1[NH2+][C@@H](C)C(=O)N1CCN(c2ccccn2)CC1	ZINC000519625934	448803534	/nfs/dbraw/zinc/80/35/34/448803534.db2.gz	OVIMOGIQEIDADU-XHSDSOJGSA-N	2	0	330.432	1.052	20	30		EDEDRP
C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+]C[C@@H](O)CN(C)CCC#N	ZINC000601968567	449251975	/nfs/dbraw/zinc/25/19/75/449251975.db2.gz	ORYRGGLBRPRFND-YZGWKJHDSA-N	2	0	344.503	1.550	20	30		EDEDRP
N#CCCN1CC[NH+]([C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CC1	ZINC000602020112	449277718	/nfs/dbraw/zinc/27/77/18/449277718.db2.gz	IEXZINWZYGCURG-IEBWSBKVSA-N	2	0	326.444	1.774	20	30		EDEDRP
CC(C)(C#N)C[C@@H](O)C[NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1	ZINC000598720207	449561759	/nfs/dbraw/zinc/56/17/59/449561759.db2.gz	LYSJUFRKWPLATQ-GOSISDBHSA-N	2	0	345.491	1.484	20	30		EDEDRP
C=CC[NH+]1CCC(NC(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)CC1	ZINC000664021697	452723145	/nfs/dbraw/zinc/72/31/45/452723145.db2.gz	ZGQAKNYMLPNVDZ-KRWDZBQOSA-N	2	0	338.496	1.389	20	30		EDEDRP
C=C(C[NH+](C)C)C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1OCC	ZINC000764588818	580124185	/nfs/dbraw/zinc/12/41/85/580124185.db2.gz	XSYYRBIOKUBPOI-UHFFFAOYSA-N	2	0	346.475	1.893	20	30		EDEDRP
N#Cc1cccc(C2([NH2+]C[C@@H]3C[C@]4(CC[NH2+]C4)CO3)CCOCC2)c1	ZINC000903764987	592309268	/nfs/dbraw/zinc/30/92/68/592309268.db2.gz	CXPOMZVUCLURRB-OALUTQOASA-N	2	0	341.455	1.922	20	30		EDEDRP
C#CC[N@@H+](C)CCCNC(=O)Nc1cccc(OCC[NH+](C)C)c1	ZINC000838624362	593197581	/nfs/dbraw/zinc/19/75/81/593197581.db2.gz	UBODCSZBWWZGPW-UHFFFAOYSA-N	2	0	332.448	1.704	20	30		EDEDRP
N#CCCC[C@@H]([NH3+])C(=O)Nc1cccc(C(=O)OC2CC[NH2+]CC2)c1	ZINC000818537497	593703969	/nfs/dbraw/zinc/70/39/69/593703969.db2.gz	OFNZDKOXCPETNC-MRXNPFEDSA-N	2	0	344.415	1.555	20	30		EDEDRP
C#C[C@H](C)NC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1	ZINC000820422089	593817906	/nfs/dbraw/zinc/81/79/06/593817906.db2.gz	CRZOFWPXCFFSEZ-RYQLBKOJSA-N	2	0	334.508	1.987	20	30		EDEDRP
C#CC[NH+](C)CCCNC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C	ZINC000836402586	594959855	/nfs/dbraw/zinc/95/98/55/594959855.db2.gz	JRGUPFDWTUCSBX-IEBWSBKVSA-N	2	0	342.487	1.761	20	30		EDEDRP
C#CCNC(=O)CC[NH+]1CC[C@H](Oc2ccnc(C[N@@H+](C)CC)c2)C1	ZINC000856584893	596023103	/nfs/dbraw/zinc/02/31/03/596023103.db2.gz	UHJBFYFOGKVLGI-SFHVURJKSA-N	2	0	344.459	1.126	20	30		EDEDRP
C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]Cc1cc(C#N)ccc1N(C)C	ZINC000865624704	596630567	/nfs/dbraw/zinc/63/05/67/596630567.db2.gz	XCPWJPTZYVCSKL-INIZCTEOSA-N	2	0	331.508	1.986	20	30		EDEDRP
C#C[C@@H](NC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)c1ccccc1	ZINC000875720564	596961177	/nfs/dbraw/zinc/96/11/77/596961177.db2.gz	BHMMYXLBCFCVQP-GUDVDZBRSA-N	2	0	342.487	1.742	20	30		EDEDRP
C[NH+](C)C[C@@H]1CN(C(=O)NCC2(C#N)CCCCC2)C[C@H]1C[NH+](C)C	ZINC000875745192	596970603	/nfs/dbraw/zinc/97/06/03/596970603.db2.gz	UJOMYGFGHDUYIO-IAGOWNOFSA-N	2	0	349.523	1.841	20	30		EDEDRP
C[C@H](CNC(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21)C[NH+]1CCCCC1	ZINC000876731077	597310696	/nfs/dbraw/zinc/31/06/96/597310696.db2.gz	DNTCEAPQMFTUCY-DNVCBOLYSA-N	2	0	340.471	1.983	20	30		EDEDRP
C[N@H+](CCNC(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21)C1CCCC1	ZINC000876755285	597323919	/nfs/dbraw/zinc/32/39/19/597323919.db2.gz	JCSNALCPXZVFPC-GOSISDBHSA-N	2	0	326.444	1.736	20	30		EDEDRP
C=C(Cl)C[C@@H]([NH3+])C(=O)Nc1cc(C)nn1C1CC[NH+](C)CC1	ZINC000876769050	597331536	/nfs/dbraw/zinc/33/15/36/597331536.db2.gz	QRPKEEMSHCHRNV-CYBMUJFWSA-N	2	0	325.844	1.867	20	30		EDEDRP
C[C@@H](NC(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21)C(C)(C)C[NH+](C)C	ZINC000876772111	597333001	/nfs/dbraw/zinc/33/30/01/597333001.db2.gz	HFSGIYDIPZHSJJ-CXAGYDPISA-N	2	0	328.460	1.838	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)N2CCN(c3cc[nH+]cc3)[C@@H](C)C2)CC1	ZINC000881636170	597667772	/nfs/dbraw/zinc/66/77/72/597667772.db2.gz	PTKPCARRWFWGPZ-INIZCTEOSA-N	2	0	326.444	1.464	20	30		EDEDRP
CN(C)c1ccc([C@@H]([NH3+])CNC(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)cc1	ZINC000884010482	597967717	/nfs/dbraw/zinc/96/77/17/597967717.db2.gz	DLFYKHZDZATCII-VOLNDZDFSA-N	2	0	341.459	1.008	20	30		EDEDRP
CC1(C)C[NH2+][C@H]1C1CCN(C(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)CC1	ZINC000884345560	598075921	/nfs/dbraw/zinc/07/59/21/598075921.db2.gz	IWMIDYWJVIIZTJ-BHEGOAEISA-N	2	0	330.476	1.362	20	30		EDEDRP
C#CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)c3ccn(-c4cc[nH+]cc4)n3)C[C@@H]21	ZINC000992742770	695262828	/nfs/dbraw/zinc/26/28/28/695262828.db2.gz	FPQVMZDOARLFHK-BPQIPLTHSA-N	2	0	349.438	1.731	20	30		EDEDRP
C=C(C)C[N@H+]1CCC[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@H]1C	ZINC000993359886	696005560	/nfs/dbraw/zinc/00/55/60/696005560.db2.gz	DSEQIIMKZDBIDU-CVEARBPZSA-N	2	0	333.480	1.604	20	30		EDEDRP
C=C(C)CC[N@@H+]1CC[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@@H](C)C1	ZINC000943515120	698429246	/nfs/dbraw/zinc/42/92/46/698429246.db2.gz	GLUZIJIZLOSYQG-WMZOPIPTSA-N	2	0	347.507	1.851	20	30		EDEDRP
C=CCC[NH+]1CC(N2CCN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)CC2)C1	ZINC000941502334	701561637	/nfs/dbraw/zinc/56/16/37/701561637.db2.gz	QIUBKNZSKAOTJW-LJQANCHMSA-N	2	0	346.519	1.265	20	30		EDEDRP
C[C@H]1CC[N@H+](CC(=O)N2CCC([NH2+]Cc3ccc(C#N)cc3)CC2)C1	ZINC000997007894	703265288	/nfs/dbraw/zinc/26/52/88/703265288.db2.gz	ROQAMVHKSPSFEZ-INIZCTEOSA-N	2	0	340.471	1.981	20	30		EDEDRP
C=CCC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1	ZINC001033092869	704169462	/nfs/dbraw/zinc/16/94/62/704169462.db2.gz	RHCKRZPFSDGVHM-QRVBRYPASA-N	2	0	349.519	1.842	20	30		EDEDRP
C#CCN1CCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2ocnc2C)C1	ZINC000998927626	706355716	/nfs/dbraw/zinc/35/57/16/706355716.db2.gz	HQFQJYYGWQEXTP-GPANFISMSA-N	2	0	330.432	1.160	20	30		EDEDRP
C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CN(C)CCO3)CC[C@@H]2C1	ZINC000946536647	707895162	/nfs/dbraw/zinc/89/51/62/707895162.db2.gz	SHNIRLDXYAONOI-OWCLPIDISA-N	2	0	341.883	1.240	20	30		EDEDRP
CN(C(=O)[C@H]1CC[NH+](C)C1)[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2)C1	ZINC001033662957	708479288	/nfs/dbraw/zinc/47/92/88/708479288.db2.gz	SZQXWJSOFLLVJK-ZWKOTPCHSA-N	2	0	326.444	1.543	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)N(C)[C@H]2CC[N@@H+](CC3CC(C)C3)C2)CC1	ZINC001033682820	708493934	/nfs/dbraw/zinc/49/39/34/708493934.db2.gz	CZPGYDBADLQHAE-TVPLGVNVSA-N	2	0	331.504	1.910	20	30		EDEDRP
C#CCN1CC[C@@H](N(CC)C(=O)c2cc(CN3CCCC3)on2)C1	ZINC001033955253	709136479	/nfs/dbraw/zinc/13/64/79/709136479.db2.gz	XLCSUBAGYXYDFO-OAHLLOKOSA-N	2	0	330.432	1.440	20	30		EDEDRP
C#CCC[N@H+]1CC[C@H](N(CC)C(=O)c2cnn(CC[NH+](C)C)c2)C1	ZINC001033983433	709192711	/nfs/dbraw/zinc/19/27/11/709192711.db2.gz	QOZRMVOWQUSZJJ-KRWDZBQOSA-N	2	0	331.464	1.004	20	30		EDEDRP
C=CCC[N@H+]1CCCC[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1	ZINC001034435241	710008140	/nfs/dbraw/zinc/00/81/40/710008140.db2.gz	IARUMSJFWFRQGW-QGZVFWFLSA-N	2	0	333.480	1.605	20	30		EDEDRP
C=C(Br)CN1CCC(NC(=O)[C@H]2CCCC[N@H+]2C)CC1	ZINC001003168657	710081226	/nfs/dbraw/zinc/08/12/26/710081226.db2.gz	SBJSBUARFPXMQM-CQSZACIVSA-N	2	0	344.297	1.960	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCC[N@H+](C[C@@H]3CCOC3)C2)CC1	ZINC001034538824	710211729	/nfs/dbraw/zinc/21/17/29/710211729.db2.gz	RSAUQUXFWRTBBA-PKOBYXMFSA-N	2	0	347.503	1.339	20	30		EDEDRP
C#CC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[C@@H]4CCCC[N@@H+]43)CC[C@@H]2C1	ZINC000946642722	712128558	/nfs/dbraw/zinc/12/85/58/712128558.db2.gz	QSHKAPNOCGKKCG-RDGPPVDQSA-N	2	0	329.488	1.807	20	30		EDEDRP
CC#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCc4cncn4C3)CC[C@@H]2C1	ZINC000946652457	712205008	/nfs/dbraw/zinc/20/50/08/712205008.db2.gz	UOYFNMSZVFAHIC-KSZLIROESA-N	2	0	340.471	1.639	20	30		EDEDRP
C[C@H]([NH3+])[C@H](C)NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1	ZINC000418703053	251388096	/nfs/dbraw/zinc/38/80/96/251388096.db2.gz	QMSXJEFHVDTLFD-GJZGRUSLSA-N	2	0	329.448	1.511	20	30		EDEDRP
N#CCCC[C@@H]([NH3+])C(=O)NC1CC[NH+](CCc2ccccc2)CC1	ZINC000424139545	252139554	/nfs/dbraw/zinc/13/95/54/252139554.db2.gz	VNXVWTPJGIEPEC-GOSISDBHSA-N	2	0	328.460	1.831	20	30		EDEDRP
C[C@@H]([NH2+][C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)c1ccc(C#N)cc1	ZINC000423448022	269845174	/nfs/dbraw/zinc/84/51/74/269845174.db2.gz	DMJLDRWYLBPCGE-XVSDVWIESA-N	2	0	326.444	1.856	20	30		EDEDRP
C=CC[NH+](CC=C)[C@H](CNC(=O)[C@H](C)C[NH+]1CCOCC1)C(C)C	ZINC000273078740	277852324	/nfs/dbraw/zinc/85/23/24/277852324.db2.gz	LYPXSZFALSYNMG-QZTJIDSGSA-N	2	0	337.508	1.770	20	30		EDEDRP
CC[NH+]1CCN([C@H]2CC[N@H+](CCOc3cccc(C#N)c3)C2)CC1	ZINC000107370527	441414397	/nfs/dbraw/zinc/41/43/97/441414397.db2.gz	YCBDZELDWJEHBX-SFHVURJKSA-N	2	0	328.460	1.649	20	30		EDEDRP
C[NH+]=C(N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)NC1CC[NH+](C2CC2)CC1	ZINC000162287691	442080666	/nfs/dbraw/zinc/08/06/66/442080666.db2.gz	NBVLOZNLFVOUQI-BBWFWOEESA-N	2	0	332.492	1.736	20	30		EDEDRP
C[NH+]=C(NCCn1cnc2ccccc21)N[C@H]1C[N@@H+](C2CC2)C[C@@H]1C	ZINC000262025587	443180726	/nfs/dbraw/zinc/18/07/26/443180726.db2.gz	ZQVYMJVUFNXRCB-YOEHRIQHSA-N	2	0	340.475	1.684	20	30		EDEDRP
CCCCCCNC(=[NH2+])NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1	ZINC000264116318	443249971	/nfs/dbraw/zinc/24/99/71/443249971.db2.gz	SQKURMJSXLDQPB-GOSISDBHSA-N	2	0	332.492	1.890	20	30		EDEDRP
CC(C)(C)NC(=[NH2+])NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1	ZINC000267395075	443442427	/nfs/dbraw/zinc/44/24/27/443442427.db2.gz	DTCXOEURQBKDAM-INIZCTEOSA-N	2	0	345.491	1.587	20	30		EDEDRP
C=CCCN(C)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1	ZINC000276042624	443649920	/nfs/dbraw/zinc/64/99/20/443649920.db2.gz	GGOHPPSRQIORHQ-UHFFFAOYSA-N	2	0	331.464	1.811	20	30		EDEDRP
C[N@H+](CCOCCC#N)CCN1CC[NH+](Cc2ccccc2)CC1	ZINC000293614599	444071207	/nfs/dbraw/zinc/07/12/07/444071207.db2.gz	PZMWONMXYNJFPY-UHFFFAOYSA-N	2	0	330.476	1.666	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)N(CC[NH+](C)C)Cc2ccc(C)o2)CC1	ZINC000299614465	444095586	/nfs/dbraw/zinc/09/55/86/444095586.db2.gz	CLVDGLHNRKFCCT-UHFFFAOYSA-N	2	0	331.460	1.823	20	30		EDEDRP
[O-]C(=[NH+][C@@H]1CCn2ccnc2C1)N1CCC[C@H](C[NH+]2CCOCC2)C1	ZINC000328761211	444451851	/nfs/dbraw/zinc/45/18/51/444451851.db2.gz	XVBLYQXTQQUMJT-HZPDHXFCSA-N	2	0	347.463	1.156	20	30		EDEDRP
Cn1ccnc1[C@H](NC(=O)NC1CC[NH+](C)CC1)C1CCOCC1	ZINC000329003131	444441941	/nfs/dbraw/zinc/44/19/41/444441941.db2.gz	XYQJSCHFSBMBIN-OAHLLOKOSA-N	2	0	335.452	1.486	20	30		EDEDRP
C[C@H](Cn1ccnc1)[NH+]=C([O-])NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1	ZINC000329307729	444529632	/nfs/dbraw/zinc/52/96/32/444529632.db2.gz	ZGQYVPVTWAQGSX-DJIMGWMZSA-N	2	0	349.479	1.543	20	30		EDEDRP
N#Cc1ccc(C[N@H+]2CCCN(C(=O)CCc3ncc[nH]3)CC2)cc1	ZINC000344199433	444835773	/nfs/dbraw/zinc/83/57/73/444835773.db2.gz	SOQNSEDXJUEBMP-UHFFFAOYSA-N	2	0	337.427	1.948	20	30		EDEDRP
Cc1cc(C#N)cc(NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)n1	ZINC000341844800	445030072	/nfs/dbraw/zinc/03/00/72/445030072.db2.gz	QLUJJYZOTSSCNF-UHFFFAOYSA-N	2	0	336.443	2.281	20	30		EDEDRP
CSC1(C[NH2+][C@@H](C(N)=O)c2ccc(C#N)cc2)CC[NH+](C)CC1	ZINC000357303935	445536858	/nfs/dbraw/zinc/53/68/58/445536858.db2.gz	STDQPHXJFUYMFA-OAHLLOKOSA-N	2	0	332.473	1.502	20	30		EDEDRP
Cc1cc(C[NH2+]CC(=O)NCC[NH+]2CCCCCC2)ccc1C#N	ZINC000353672289	445701680	/nfs/dbraw/zinc/70/16/80/445701680.db2.gz	PQLZPZHHONGYHT-UHFFFAOYSA-N	2	0	328.460	1.949	20	30		EDEDRP
C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2Cc1cnc2c(C#N)cnn2c1	ZINC000584113919	326202786	/nfs/dbraw/zinc/20/27/86/326202786.db2.gz	PPZCEELVPVCSDF-IXDOHACOSA-N	2	0	340.431	1.284	20	30		EDEDRP
CCC[NH+]1CCN(C2CC[NH+](CCC(=O)N(C)CCC#N)CC2)CC1	ZINC000371444510	446859461	/nfs/dbraw/zinc/85/94/61/446859461.db2.gz	YUWCLAABYOXIKQ-UHFFFAOYSA-N	2	0	349.523	1.241	20	30		EDEDRP
C=C(CC)CNC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1	ZINC000454421947	446868683	/nfs/dbraw/zinc/86/86/83/446868683.db2.gz	LDUYZERILXDXES-UHFFFAOYSA-N	2	0	331.464	1.859	20	30		EDEDRP
C=CCN1CC[C@@H]([NH+]2CCC(C)(C[NH+]3CCN(C)CC3)CC2)C1=O	ZINC000375612185	446924375	/nfs/dbraw/zinc/92/43/75/446924375.db2.gz	JGKUFTSPVZKCNO-QGZVFWFLSA-N	2	0	334.508	1.123	20	30		EDEDRP
C=CC[NH+]1CCC(NC(=O)[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1	ZINC000531296209	448056897	/nfs/dbraw/zinc/05/68/97/448056897.db2.gz	YVGFRDXLESVVLV-FQEVSTJZSA-N	2	0	343.471	1.390	20	30		EDEDRP
COc1cc(C[NH2+]C[C@H](O)CN2C[C@@H](C)O[C@@H](C)C2)ccc1C#N	ZINC000582482758	448250000	/nfs/dbraw/zinc/25/00/00/448250000.db2.gz	TZYFAGJCCQIXBO-VBQJREDUSA-N	2	0	333.432	1.127	20	30		EDEDRP
C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H](O)CN(C)CCC#N	ZINC000562989574	448278322	/nfs/dbraw/zinc/27/83/22/448278322.db2.gz	NMQUSJMHQISZBI-HOJAQTOUSA-N	2	0	344.503	1.693	20	30		EDEDRP
N#Cc1cccc(C[NH+]2CCC(NC(=O)NC[C@H]([NH3+])C3CC3)CC2)c1	ZINC000593714438	449157397	/nfs/dbraw/zinc/15/73/97/449157397.db2.gz	WFCTUPWRLHJVIW-SFHVURJKSA-N	2	0	341.459	1.559	20	30		EDEDRP
CC(C)(CC[NH3+])NC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000593719828	449159799	/nfs/dbraw/zinc/15/97/99/449159799.db2.gz	HURSOOJXUIGSDO-UHFFFAOYSA-N	2	0	343.475	1.949	20	30		EDEDRP
C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]C1CCN(Cc2cccc(C#N)c2)CC1	ZINC000593324021	449227037	/nfs/dbraw/zinc/22/70/37/449227037.db2.gz	VUOAZLWAQGPVHV-BEVDRBHNSA-N	2	0	342.487	1.865	20	30		EDEDRP
C[NH+](C)CCC[C@@H]1C[N@H+](CCC(=O)Nc2ccccc2C#N)CCO1	ZINC000595906258	449244760	/nfs/dbraw/zinc/24/47/60/449244760.db2.gz	IGFLPXTVRZXJNR-QGZVFWFLSA-N	2	0	344.459	1.929	20	30		EDEDRP
C[C@@H]1[NH2+]CC[C@H]1C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000593918219	449286032	/nfs/dbraw/zinc/28/60/32/449286032.db2.gz	ATJPKPMKOUDNJT-KBXCAEBGSA-N	2	0	326.444	1.637	20	30		EDEDRP
N#CCCC[C@@H]([NH3+])C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000593919500	449286792	/nfs/dbraw/zinc/28/67/92/449286792.db2.gz	XCXIQTUJADGATD-GOSISDBHSA-N	2	0	339.443	1.660	20	30		EDEDRP
C[C@H]([NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)C1CC[NH+](C)CC1	ZINC000617098395	449460391	/nfs/dbraw/zinc/46/03/91/449460391.db2.gz	KFHUXPXKZFZWPU-KXBFYZLASA-N	2	0	340.471	1.979	20	30		EDEDRP
N#CCCCC[C@@H]([NH3+])C(=O)NCC1([NH+]2CCSCC2)CCCC1	ZINC000594440965	449519950	/nfs/dbraw/zinc/51/99/50/449519950.db2.gz	KEYBISRIPIDNNY-OAHLLOKOSA-N	2	0	338.521	1.875	20	30		EDEDRP
CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1nn(C)cc1Br	ZINC000263046875	535549940	/nfs/dbraw/zinc/54/99/40/535549940.db2.gz	DBXYBSCCRSFICV-SNVBAGLBSA-N	2	0	343.273	1.071	20	30		EDEDRP
C#CCN1CCC[C@H]1C(=O)NC[C@H]1CN(Cc2ccccc2)CCO1	ZINC000730271622	578637972	/nfs/dbraw/zinc/63/79/72/578637972.db2.gz	DVSRQKNAJFKCDM-OALUTQOASA-N	2	0	341.455	1.101	20	30		EDEDRP
CCOC1CC(CON=C(N)c2ccc(CN3CCOCC3)cc2)C1	ZINC000795205226	580915617	/nfs/dbraw/zinc/91/56/17/580915617.db2.gz	PDPMSRVBERBVTN-UHFFFAOYSA-N	2	0	347.459	1.971	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)NC2(C(F)(F)F)CC[NH+](CC)CC2)CC1	ZINC000891206556	591000914	/nfs/dbraw/zinc/00/09/14/591000914.db2.gz	VMPYYVWGETWXNM-UHFFFAOYSA-N	2	0	345.409	1.865	20	30		EDEDRP
CC(C)(C[NH3+])C1CC[NH+](C[C@@H](O)COc2ccc(C#N)cc2)CC1	ZINC000903790819	592315714	/nfs/dbraw/zinc/31/57/14/592315714.db2.gz	BXPPJPAEZFHJOD-QGZVFWFLSA-N	2	0	331.460	1.995	20	30		EDEDRP
C#CCN1CCN(C(=O)C[N@@H+]2CCC[C@@H](c3ccccc3)C2)CC1	ZINC000814641565	593598941	/nfs/dbraw/zinc/59/89/41/593598941.db2.gz	HZUXQWOYRSOBTQ-LJQANCHMSA-N	2	0	325.456	1.643	20	30		EDEDRP
C#CC[NH+](C)CCCNC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C	ZINC000836458385	594965336	/nfs/dbraw/zinc/96/53/36/594965336.db2.gz	JMNOCLGTVFRBLB-IEBWSBKVSA-N	2	0	342.487	1.904	20	30		EDEDRP
O=C(C#CC1CC[NH2+]CC1)NCC1([NH+]2CCCCC2)CCOCC1	ZINC000852868652	595588669	/nfs/dbraw/zinc/58/86/69/595588669.db2.gz	UCBURCCRCPIXRR-UHFFFAOYSA-N	2	0	333.476	1.141	20	30		EDEDRP
CC(C)C[N@H+](C)CCCNC(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21	ZINC000867982519	596643972	/nfs/dbraw/zinc/64/39/72/596643972.db2.gz	RXADKYORFAUGLB-GOSISDBHSA-N	2	0	328.460	1.839	20	30		EDEDRP
C=C[C@@](C)(CCOC)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1	ZINC000870019430	596710717	/nfs/dbraw/zinc/71/07/17/596710717.db2.gz	FJJAEZSQBVLKPK-NUJGCVRESA-N	2	0	325.497	1.413	20	30		EDEDRP
N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1	ZINC000876786742	597340173	/nfs/dbraw/zinc/34/01/73/597340173.db2.gz	CCTOOPDGMMWIIU-RTBURBONSA-N	2	0	338.455	1.736	20	30		EDEDRP
C[NH+]1CCC(CNC(=O)[C@H]([NH3+])CCCC#N)(c2ccccc2)CC1	ZINC000877224642	597466349	/nfs/dbraw/zinc/46/63/49/597466349.db2.gz	LNYAFGBXHWGAOR-QGZVFWFLSA-N	2	0	328.460	1.787	20	30		EDEDRP
CN(C)c1ccc(C#N)cc1CN1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1	ZINC000877670376	597546581	/nfs/dbraw/zinc/54/65/81/597546581.db2.gz	LYYWVYKMTJLAQP-RTBURBONSA-N	2	0	343.519	1.795	20	30		EDEDRP
N#Cc1cc(C[NH+]2CCC[C@@H]2CO)cc(C[N@H+]2CCC[C@@H]2CO)c1	ZINC000877998755	597568825	/nfs/dbraw/zinc/56/88/25/597568825.db2.gz	DJQKKQZCDSRXDK-RTBURBONSA-N	2	0	329.444	1.472	20	30		EDEDRP
C[C@@H]1C[N@@H+](CCCCNC(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)C[C@H](C)O1	ZINC000884196088	598023671	/nfs/dbraw/zinc/02/36/71/598023671.db2.gz	HMOMKNBOHVERNW-UIEBLEIFSA-N	2	0	348.491	1.131	20	30		EDEDRP
C=CCC[N@@H+]1CC[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@H](C)C1	ZINC000943518458	698433653	/nfs/dbraw/zinc/43/36/53/698433653.db2.gz	SGMSDFMIERNDHS-NVXWUHKLSA-N	2	0	333.480	1.461	20	30		EDEDRP
C=CCC[NH+]1CC(N2CCN(C(=O)[C@H]3CCC[C@H]4CCC[N@@H+]43)CC2)C1	ZINC000941602822	701593332	/nfs/dbraw/zinc/59/33/32/701593332.db2.gz	AGUBGXZHEAOWFO-PKOBYXMFSA-N	2	0	346.519	1.408	20	30		EDEDRP
C=CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C(C)(C)C1	ZINC000940902162	700976827	/nfs/dbraw/zinc/97/68/27/700976827.db2.gz	YATMUXNUGYISKA-ASPXRTSYSA-N	2	0	347.503	1.642	20	30		EDEDRP
C=CCC[N@@H+]1CC[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@@H](C)C1	ZINC000942055960	702503564	/nfs/dbraw/zinc/50/35/64/702503564.db2.gz	DANCFMQZUQOVTO-JKSUJKDBSA-N	2	0	333.480	1.461	20	30		EDEDRP
C#CCN1CCC[C@H]1C(=O)N1CCC([NH2+]Cc2cc(C)no2)CC1	ZINC000996685487	702983281	/nfs/dbraw/zinc/98/32/81/702983281.db2.gz	PUUZQTAIAHXMHT-KRWDZBQOSA-N	2	0	330.432	1.161	20	30		EDEDRP
C=C(Br)C[NH2+]C1CCN(C(=O)C[N@H+]2CCC[C@H]2C)CC1	ZINC000996996155	703251851	/nfs/dbraw/zinc/25/18/51/703251851.db2.gz	VPEUARWPUNOIPN-CYBMUJFWSA-N	2	0	344.297	1.960	20	30		EDEDRP
CC#CC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)CC1	ZINC000997228421	703504199	/nfs/dbraw/zinc/50/41/99/703504199.db2.gz	IZEGCZUQBDBXCR-XDAPHXNSSA-N	2	0	345.487	1.090	20	30		EDEDRP
C=C(C)C[NH+]1CCC([C@H](C)NC(=O)c2ccn(CC[NH+](C)C)n2)CC1	ZINC000997586851	703874156	/nfs/dbraw/zinc/87/41/56/703874156.db2.gz	PMLIXFZEQPLGOW-INIZCTEOSA-N	2	0	347.507	1.851	20	30		EDEDRP
N#Cc1ccc(CN2CCC(NC(=O)Cn3ccnc3)CC2)s1	ZINC001004257946	704086077	/nfs/dbraw/zinc/08/60/77/704086077.db2.gz	NWLBLINFJNYAII-UHFFFAOYSA-N	2	0	329.429	1.597	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CCC3CC3)C[C@H]2C)CC1	ZINC000945179377	705211274	/nfs/dbraw/zinc/21/12/74/705211274.db2.gz	HSKATWPIVFAUIB-APWZRJJASA-N	2	0	331.504	1.958	20	30		EDEDRP
C[N@@H+]1CC[C@H](C(=O)N2CCC(C[NH2+]Cc3ccc(C#N)cc3)CC2)C1	ZINC000998271708	705651466	/nfs/dbraw/zinc/65/14/66/705651466.db2.gz	HQLFXNCEDKTFMY-IBGZPJMESA-N	2	0	340.471	1.838	20	30		EDEDRP
C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2ccc(F)c(C#N)c2)C1	ZINC000998721656	706152953	/nfs/dbraw/zinc/15/29/53/706152953.db2.gz	NFPLDCVWZRSYTI-WMZOPIPTSA-N	2	0	344.434	1.872	20	30		EDEDRP
CN(C(=O)C1CC[NH+](C)CC1)C1CC([NH2+]Cc2ccccc2C#N)C1	ZINC000999341830	706853335	/nfs/dbraw/zinc/85/33/35/706853335.db2.gz	IRPXIKRQCGPIEI-UHFFFAOYSA-N	2	0	340.471	1.979	20	30		EDEDRP
C=CCC[NH+]1CC[C@H](n2cc(CNC(=O)[C@H]3CCCC[N@H+]3C)nn2)C1	ZINC000999995173	707673609	/nfs/dbraw/zinc/67/36/09/707673609.db2.gz	DRYYFTOEZVAMNR-DLBZAZTESA-N	2	0	346.479	1.202	20	30		EDEDRP
C[N@@H+]1CC[C@H](C(=O)N2CCC[C@@H]([NH2+]Cc3cc(F)ccc3C#N)C2)C1	ZINC001000920758	708076792	/nfs/dbraw/zinc/07/67/92/708076792.db2.gz	WNUUKXTUADDOCJ-MAUKXSAKSA-N	2	0	344.434	1.730	20	30		EDEDRP
C[N@@H+]1CC[C@H](C(=O)N2CCC[C@H]([NH2+]Cc3cc(F)ccc3C#N)C2)C1	ZINC001000921102	708076940	/nfs/dbraw/zinc/07/69/40/708076940.db2.gz	WNUUKXTUADDOCJ-YJBOKZPZSA-N	2	0	344.434	1.730	20	30		EDEDRP
C#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)COC2CC[NH+](C)CC2)CC1	ZINC001004585785	712019415	/nfs/dbraw/zinc/01/94/15/712019415.db2.gz	KXQYLUKOJSDKJI-IBGZPJMESA-N	2	0	347.503	1.433	20	30		EDEDRP
C[N@H+](C[C@H](O)CN[C@H]1CCCN(c2ccc(C#N)cc2)C1=O)C1CC1	ZINC000563013336	306315772	/nfs/dbraw/zinc/31/57/72/306315772.db2.gz	IWHDPDIUDVQCEE-MSOLQXFVSA-N	2	0	342.443	1.098	20	30		EDEDRP
C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CC[C@@H](N2CC[NH+](CC)CC2)C1	ZINC000245925854	249305067	/nfs/dbraw/zinc/30/50/67/249305067.db2.gz	OEBKPCMWXUYYJJ-QZTJIDSGSA-N	2	0	334.508	1.287	20	30		EDEDRP
C[C@@H](O)C[N@H+](C)C1CCN(C[C@H](O)COc2ccc(C#N)cc2)CC1	ZINC000357626751	151090587	/nfs/dbraw/zinc/09/05/87/151090587.db2.gz	LZEORACUWYNFDO-QAPCUYQASA-N	2	0	347.459	1.075	20	30		EDEDRP
C[NH+]1CCC(C[NH2+]C2CCC(C)(C#N)CC2)(N2CCOCC2)CC1	ZINC000333900812	289878513	/nfs/dbraw/zinc/87/85/13/289878513.db2.gz	BOIZWIVGKSHBNJ-UHFFFAOYSA-N	2	0	334.508	1.845	20	30		EDEDRP
C[C@H](CNC1=[NH+]C[C@H]2CN(C(=O)OC(C)(C)C)CCN12)C[NH+](C)C	ZINC000496240688	298246275	/nfs/dbraw/zinc/24/62/75/298246275.db2.gz	YCTPVMOUNMONSA-KGLIPLIRSA-N	2	0	339.484	1.065	20	30		EDEDRP
CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1cccnc1-n1cccn1	ZINC000170912247	442286963	/nfs/dbraw/zinc/28/69/63/442286963.db2.gz	ASUNKYOPEVGKJC-HNNXBMFYSA-N	2	0	327.436	1.156	20	30		EDEDRP
C[NH+](C)CCNC(=O)c1cccc(CNC(=[NH2+])Nc2ccccn2)c1	ZINC000170912139	442287082	/nfs/dbraw/zinc/28/70/82/442287082.db2.gz	AHCQHNBVANBGBL-UHFFFAOYSA-N	2	0	340.431	1.300	20	30		EDEDRP
C=CC[NH+]1CCC(NC(=O)NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1	ZINC000171707368	442372793	/nfs/dbraw/zinc/37/27/93/442372793.db2.gz	FTQRXSVBEXSXBW-HOTGVXAUSA-N	2	0	338.496	1.435	20	30		EDEDRP
CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H](CO)Cc1ccc(F)cc1	ZINC000264128165	443250526	/nfs/dbraw/zinc/25/05/26/443250526.db2.gz	WXVSMLCAQYPNMT-NVXWUHKLSA-N	2	0	336.455	1.365	20	30		EDEDRP
CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCOc1ccc(F)c(F)c1	ZINC000267447649	443460160	/nfs/dbraw/zinc/46/01/60/443460160.db2.gz	QMHMADKSFFJFFS-GFCCVEGCSA-N	2	0	326.391	1.732	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)Nc2ccc(N3CC[NH+](C)CC3)cn2)CC1	ZINC000299143567	443966091	/nfs/dbraw/zinc/96/60/91/443966091.db2.gz	JPIVRPWEIBTSJS-UHFFFAOYSA-N	2	0	341.459	1.117	20	30		EDEDRP
C[NH+]1CCN(c2cc[nH+]cc2NCc2cnc3c(C#N)cnn3c2)CC1	ZINC000571325200	321382732	/nfs/dbraw/zinc/38/27/32/321382732.db2.gz	AKLJMDNWPZWHME-UHFFFAOYSA-N	2	0	348.414	1.360	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)CC1	ZINC000305100227	444257500	/nfs/dbraw/zinc/25/75/00/444257500.db2.gz	BEJXLKBFVROPAI-OALUTQOASA-N	2	0	347.503	1.216	20	30		EDEDRP
CCC[N@@H+]1CC[C@@H](CNC(=[NH2+])NC2CCN(C(=O)OCC)CC2)C1	ZINC000303882904	444237774	/nfs/dbraw/zinc/23/77/74/444237774.db2.gz	LZFXORJHJFRSNP-AWEZNQCLSA-N	2	0	339.484	1.244	20	30		EDEDRP
N#Cc1ccccc1C[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1	ZINC000325257218	444362892	/nfs/dbraw/zinc/36/28/92/444362892.db2.gz	MNOVIDUPCIJRCZ-CRAIPNDOSA-N	2	0	326.444	1.638	20	30		EDEDRP
CC(C)[NH+]1CCC(O)(CNC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)CC1	ZINC000329930359	444773716	/nfs/dbraw/zinc/77/37/16/444773716.db2.gz	OIQRMZZUYGALIZ-CVEARBPZSA-N	2	0	338.496	1.352	20	30		EDEDRP
C=CCOCCC[N@H+]1CCC[C@@H](CN2CCCN(C(C)=O)CC2)C1	ZINC000451523653	447736916	/nfs/dbraw/zinc/73/69/16/447736916.db2.gz	ATJLQCMRPMPSEV-LJQANCHMSA-N	2	0	337.508	1.845	20	30		EDEDRP
Oc1cccc2c1C[C@H]([NH2+]CC#CC[NH2+][C@@H]1Cc3cccc(O)c3C1)C2	ZINC000551735408	447906871	/nfs/dbraw/zinc/90/68/71/447906871.db2.gz	INDOSAYNCVJWFJ-QZTJIDSGSA-N	2	0	348.446	1.915	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)N[C@@H](C[NH+](C)C)c2ccc(F)cc2)CC1	ZINC000491654001	448072163	/nfs/dbraw/zinc/07/21/63/448072163.db2.gz	DKPXNXWCAOPGHJ-SFHVURJKSA-N	2	0	331.435	1.890	20	30		EDEDRP
C[C@@H]([NH3+])C[C@@H](C)NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1	ZINC000568878650	448934473	/nfs/dbraw/zinc/93/44/73/448934473.db2.gz	RCLKVXHQGSAIOR-HZPDHXFCSA-N	2	0	343.475	1.901	20	30		EDEDRP
C[C@H](C[NH3+])CNC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000593714502	449157456	/nfs/dbraw/zinc/15/74/56/449157456.db2.gz	XVAIIFIKXGOZNL-CQSZACIVSA-N	2	0	329.448	1.417	20	30		EDEDRP
N#Cc1ccc(CC[N@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)cc1	ZINC000595892775	449237138	/nfs/dbraw/zinc/23/71/38/449237138.db2.gz	NETSBAIUKORYPR-SFHVURJKSA-N	2	0	326.444	1.245	20	30		EDEDRP
C[C@@H](CNC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1)[NH+](C)C	ZINC000593411871	449270393	/nfs/dbraw/zinc/27/03/93/449270393.db2.gz	LCDHWUONBMAHBD-HNNXBMFYSA-N	2	0	343.475	1.772	20	30		EDEDRP
C[C@H]1[NH2+]CC[C@@H]1C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000593918220	449286404	/nfs/dbraw/zinc/28/64/04/449286404.db2.gz	ATJPKPMKOUDNJT-KDOFPFPSSA-N	2	0	326.444	1.637	20	30		EDEDRP
COc1ccc(C[NH2+]CCN2CC[C@@H](O)C2)cc1OCCCC#N	ZINC000599010152	449697497	/nfs/dbraw/zinc/69/74/97/449697497.db2.gz	QIGKISFYBDWVDC-MRXNPFEDSA-N	2	0	333.432	1.534	20	30		EDEDRP
C[NH2+]C[C@H](C)NC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000595269969	449990652	/nfs/dbraw/zinc/99/06/52/449990652.db2.gz	ACQPJUIKQDUENT-AWEZNQCLSA-N	2	0	329.448	1.430	20	30		EDEDRP
C=CC[NH+]1CCC(NC(=O)N2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)CC1	ZINC000626969815	451041593	/nfs/dbraw/zinc/04/15/93/451041593.db2.gz	APSHSABEBOUVCB-OCCSQVGLSA-N	2	0	348.413	1.806	20	30		EDEDRP
CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1csc([C@H](C)OC)n1	ZINC000267626134	535596953	/nfs/dbraw/zinc/59/69/53/535596953.db2.gz	GSDGHAXXXGECNE-AAEUAGOBSA-N	2	0	325.482	1.739	20	30		EDEDRP
C=C(CC[NH+](C)C)C(=O)Nc1ccc(CN2CC[NH+](C)CC2)cc1	ZINC000900192823	591935746	/nfs/dbraw/zinc/93/57/46/591935746.db2.gz	XIGOEGPRKCNUBX-UHFFFAOYSA-N	2	0	330.476	1.880	20	30		EDEDRP
C=C(C)C[NH+]1CCC(NC(=O)CCN2CC[NH+](C(C)C)CC2)CC1	ZINC000900600525	592065259	/nfs/dbraw/zinc/06/52/59/592065259.db2.gz	XDWMWBKDCPZVEQ-UHFFFAOYSA-N	2	0	336.524	1.559	20	30		EDEDRP
Cc1cc(F)cc2c1ncc(C#N)c2NCCN1CCC([NH3+])CC1	ZINC000905706601	592618097	/nfs/dbraw/zinc/61/80/97/592618097.db2.gz	SUMFSHUPPZAVEV-UHFFFAOYSA-N	2	0	327.407	1.811	20	30		EDEDRP
C=C(CC[NH+](C)C)C(=O)N(C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1	ZINC000907555294	592705471	/nfs/dbraw/zinc/70/54/71/592705471.db2.gz	UPBNEXCVLBZZKU-HXUWFJFHSA-N	2	0	345.487	1.590	20	30		EDEDRP
CC[NH+](CC)CCOc1ccccc1NC(=O)N[C@H]1C[NH2+]C[C@H]1C#N	ZINC000841026354	594841374	/nfs/dbraw/zinc/84/13/74/594841374.db2.gz	YOIDVRJBKWHJRY-ZBFHGGJFSA-N	2	0	345.447	1.640	20	30		EDEDRP
C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)C#CC2CC[NH2+]CC2)C1	ZINC000852862650	595583208	/nfs/dbraw/zinc/58/32/08/595583208.db2.gz	ICTHLHHCZCALFB-VQIMIIECSA-N	2	0	325.456	1.941	20	30		EDEDRP
O=C(C#CC1CC[NH2+]CC1)N1CCC(OCC[NH+]2CCCC2)CC1	ZINC000852869322	595589463	/nfs/dbraw/zinc/58/94/63/595589463.db2.gz	CJDZKXTWWMFUFS-UHFFFAOYSA-N	2	0	333.476	1.093	20	30		EDEDRP
C[NH+]=C(NCc1nnc2n1CCCC2)NC1CC[NH+](C(C)C)CC1	ZINC000114091553	595948723	/nfs/dbraw/zinc/94/87/23/595948723.db2.gz	QXHUPJFXMKTLKA-UHFFFAOYSA-N	2	0	333.484	1.152	20	30		EDEDRP
C[NH+](C)C[C@@H]1CN(C(=O)c2ccc(F)c(C#N)c2)C[C@H]1C[NH+](C)C	ZINC000870019199	596710872	/nfs/dbraw/zinc/71/08/72/596710872.db2.gz	UFRVCNIIVDXETD-HZPDHXFCSA-N	2	0	332.423	1.509	20	30		EDEDRP
C[NH+](C)C[C@@H]1CN(C(=O)c2ncc(C#N)cc2Cl)C[C@H]1C[NH+](C)C	ZINC000870020951	596712046	/nfs/dbraw/zinc/71/20/46/596712046.db2.gz	XMZHGFYSNKQCGX-ZIAGYGMSSA-N	2	0	349.866	1.418	20	30		EDEDRP
C[C@@H]1[C@H](O)CC[NH+]1Cc1cc(C#N)cc(C[N@H+]2CC[C@@H](O)[C@H]2C)c1	ZINC000878685318	597678679	/nfs/dbraw/zinc/67/86/79/597678679.db2.gz	UBLCMRMLIXYFFV-TWKYDXJASA-N	2	0	329.444	1.468	20	30		EDEDRP
C#CCC1(O)CC[NH+](CC[C@H](C)[NH+]2CCC(O)(CC#C)CC2)CC1	ZINC000880481248	597942167	/nfs/dbraw/zinc/94/21/67/597942167.db2.gz	PNGSEQLSOQYUPM-SFHVURJKSA-N	2	0	332.488	1.465	20	30		EDEDRP
CC[NH+]=C(N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1	ZINC000155087501	697332699	/nfs/dbraw/zinc/33/26/99/697332699.db2.gz	VKAXNJYKXLHYBO-GWCDLVAZSA-N	2	0	334.508	1.980	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)N2C[C@H]([NH2+]CC3CCOCC3)[C@@H](C)C2)CC1	ZINC000939807907	699956705	/nfs/dbraw/zinc/95/67/05/699956705.db2.gz	BGLLDIHQUIAUKJ-LPHOPBHVSA-N	2	0	347.503	1.195	20	30		EDEDRP
CC#CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C(C)(C)C1	ZINC000940901838	700976624	/nfs/dbraw/zinc/97/66/24/700976624.db2.gz	QXZIHSNPFLCLRM-ZEVUXNIQSA-N	2	0	345.487	1.090	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+]([C@@H](C)COC)CC2(C)C)CC1	ZINC000941236848	701427562	/nfs/dbraw/zinc/42/75/62/701427562.db2.gz	BOHMDDJJEBCQIA-FUHWJXTLSA-N	2	0	349.519	1.583	20	30		EDEDRP
C#CC[NH2+][C@H]1CN(C(=O)c2ccc(CC[NH+](C)C)cc2)CC1(C)C	ZINC000996300083	702691168	/nfs/dbraw/zinc/69/11/68/702691168.db2.gz	JRHVPGRVWINPJR-SFHVURJKSA-N	2	0	327.472	1.864	20	30		EDEDRP
C=C(C)CN1CC[NH+](C2CCC(NC(=O)[C@@H]3CCC[N@H+]3C)CC2)CC1	ZINC000996766251	703057549	/nfs/dbraw/zinc/05/75/49/703057549.db2.gz	PBRUKTQEGYJXNF-ACBHZAAOSA-N	2	0	348.535	1.702	20	30		EDEDRP
C=CCN1CC[NH+](C2CCC(NC(=O)C[C@H]3CC[N@@H+](C)C3)CC2)CC1	ZINC000996795772	703080404	/nfs/dbraw/zinc/08/04/04/703080404.db2.gz	RMSLHSFIYRVZAZ-LMDPOFIKSA-N	2	0	348.535	1.559	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)N2C[C@H](C[NH2+]CC)[C@H](C(F)(F)F)C2)CC1	ZINC000996861569	703144390	/nfs/dbraw/zinc/14/43/90/703144390.db2.gz	UTWCRKGIKMXUPU-LSDHHAIUSA-N	2	0	345.409	1.578	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)NC2CC[NH+](CC[C@@H]3CCCO3)CC2)CC1	ZINC001004200539	703927126	/nfs/dbraw/zinc/92/71/26/703927126.db2.gz	CMMKLNICSZOHMN-IBGZPJMESA-N	2	0	347.503	1.481	20	30		EDEDRP
C#CC[NH+]1CCC(NC(=O)N[C@@H](CC(C)C)C[NH+]2CCCC2)CC1	ZINC000922662236	704191489	/nfs/dbraw/zinc/19/14/89/704191489.db2.gz	HNXKJHHHPPFPIX-SFHVURJKSA-N	2	0	334.508	1.894	20	30		EDEDRP
C=C(Br)C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C)C1	ZINC000999512794	707011427	/nfs/dbraw/zinc/01/14/27/707011427.db2.gz	RELKQGRUUVHQIQ-ZIAGYGMSSA-N	2	0	344.297	1.960	20	30		EDEDRP
C#CC[NH2+][C@H]1CN(C(=O)C23CC[NH+](CC2)C3)CC[C@@H]1C(F)(F)F	ZINC000998305988	705710181	/nfs/dbraw/zinc/71/01/81/705710181.db2.gz	UMOYNOUUXJNFTI-STQMWFEESA-N	2	0	329.366	1.084	20	30		EDEDRP
C#CC[NH2+][C@H]1CN(C(=O)CC[NH+]2CCCCC2)CC[C@H]1C(F)(F)F	ZINC000998316253	705736554	/nfs/dbraw/zinc/73/65/54/705736554.db2.gz	QDRGALVQSAEPNV-CABCVRRESA-N	2	0	345.409	1.865	20	30		EDEDRP
C=C(Br)C[NH2+][C@H]1CCCN(C(=O)[C@H](C2CC2)[NH+](C)C)C1	ZINC000999373562	706868036	/nfs/dbraw/zinc/86/80/36/706868036.db2.gz	QSVFGBKEFAOFPN-KBPBESRZSA-N	2	0	344.297	1.816	20	30		EDEDRP
CN(C(=O)[C@@H]1CC[N@H+](C)C1)C1CC([NH2+]Cc2ccc(C#N)cc2)C1	ZINC000999836754	707471900	/nfs/dbraw/zinc/47/19/00/707471900.db2.gz	LFFKDIHYBWSLRP-WWDZGPRUSA-N	2	0	326.444	1.589	20	30		EDEDRP
CN(C(=O)[C@@H]1CC[NH+](C)C1)[C@H]1CC[N@H+](Cc2ccc(C#N)cc2)C1	ZINC001033662954	708479218	/nfs/dbraw/zinc/47/92/18/708479218.db2.gz	SZQXWJSOFLLVJK-MSOLQXFVSA-N	2	0	326.444	1.543	20	30		EDEDRP
C[N@@H+]1CC[C@@H](C(=O)NCC2CC[NH+](Cc3ccccc3C#N)CC2)C1	ZINC001002120190	708634087	/nfs/dbraw/zinc/63/40/87/708634087.db2.gz	HXKQKRRZNZKLIL-LJQANCHMSA-N	2	0	340.471	1.838	20	30		EDEDRP
CN1CC[N@H+](C)C[C@H]1CNC(=O)NCC1([NH+](C)C)CCCCCC1	ZINC000329399647	539433923	/nfs/dbraw/zinc/43/39/23/539433923.db2.gz	YKZAEHPYYZBLJA-MRXNPFEDSA-N	2	0	339.528	1.390	20	30		EDEDRP
N#Cc1ccc(CN2CC[C@H](N[C@@H]3CC[N@@H+]4CCC[C@H]4C3)C2=O)cc1	ZINC000249067681	139184611	/nfs/dbraw/zinc/18/46/11/139184611.db2.gz	PZBLPEPYUGFRKZ-QYZOEREBSA-N	2	0	338.455	1.876	20	30		EDEDRP
CC[C@H](CNC(=O)[C@H]([NH3+])CCCC#N)[N@@H+]1CCc2ccccc2C1	ZINC000424132922	252136073	/nfs/dbraw/zinc/13/60/73/252136073.db2.gz	LHERRYCZBKMTEZ-QZTJIDSGSA-N	2	0	328.460	1.961	20	30		EDEDRP
N#Cc1ccc(C[N@H+]2CCCN(C(=O)NC3CC[NH2+]CC3)CC2)cc1	ZINC000333853802	141395136	/nfs/dbraw/zinc/39/51/36/141395136.db2.gz	XVDBVWMSKICRHJ-UHFFFAOYSA-N	2	0	341.459	1.528	20	30		EDEDRP
C[C@H]([NH2+]CCCC[NH+]1CCN(CCO)CC1)c1ccc(C#N)c(F)c1	ZINC000346128889	143170520	/nfs/dbraw/zinc/17/05/20/143170520.db2.gz	FFVQUHMSEBECCT-INIZCTEOSA-N	2	0	348.466	1.738	20	30		EDEDRP
N#Cc1ccc2c(c1)[C@@H]([NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F)CC2	ZINC000423380950	270012220	/nfs/dbraw/zinc/01/22/20/270012220.db2.gz	FCARJHOSTMQURA-HOTGVXAUSA-N	2	0	338.377	1.971	20	30		EDEDRP
CC[NH+]1CCN(CCC[NH2+][C@@H]2CCC[C@@H]3O[C@@H](CC#N)C[C@H]32)CC1	ZINC000376161823	279357408	/nfs/dbraw/zinc/35/74/08/279357408.db2.gz	JWVGJCFJIPGINN-OKYOBFRVSA-N	2	0	334.508	1.843	20	30		EDEDRP
C[NH+]=C(NCC1([NH+](C)C)CCOCC1)N[C@H]1CCOc2ccccc21	ZINC000088392104	441506687	/nfs/dbraw/zinc/50/66/87/441506687.db2.gz	YBDLKPLBLLEXPT-INIZCTEOSA-N	2	0	346.475	1.786	20	30		EDEDRP
CCOc1ccc(OCC)c(NC(=[NH2+])NC[C@H]2C[NH+]3CCN2CC3)c1	ZINC000178991311	442546850	/nfs/dbraw/zinc/54/68/50/442546850.db2.gz	NPPZWPQOSJFIMU-AWEZNQCLSA-N	2	0	347.463	1.210	20	30		EDEDRP
C[NH+]=C(NCc1cccn1C)NC1CC[NH+](C[C@H]2CCOC2)CC1	ZINC000262817463	443214192	/nfs/dbraw/zinc/21/41/92/443214192.db2.gz	XFCSAXIQPZOIRN-OAHLLOKOSA-N	2	0	333.480	1.191	20	30		EDEDRP
CC[N@@H+]1CC[C@@H](CNC(=[NH2+])NCCc2ccc(OC)c(OC)c2)C1	ZINC000264063922	443247790	/nfs/dbraw/zinc/24/77/90/443247790.db2.gz	ALCGNWJYSRKUMG-HNNXBMFYSA-N	2	0	334.464	1.492	20	30		EDEDRP
C[NH+](C)CCCN(CCC#N)C(=O)c1ccnc(OCC[NH+](C)C)c1	ZINC000272701236	443414185	/nfs/dbraw/zinc/41/41/85/443414185.db2.gz	SBPUSGGQEVXUAO-UHFFFAOYSA-N	2	0	347.463	1.330	20	30		EDEDRP
COc1ccc(NC(=[NH2+])NCC2([NH+](C)C)CCOCC2)cc1OC	ZINC000267414369	443449008	/nfs/dbraw/zinc/44/90/08/443449008.db2.gz	IZKPVRXVQAZITE-UHFFFAOYSA-N	2	0	336.436	1.541	20	30		EDEDRP
CC(C)[NH+](CCCNC(=[NH2+])N1CCN(c2ncccn2)CC1)C(C)C	ZINC000267419162	443450601	/nfs/dbraw/zinc/45/06/01/443450601.db2.gz	KAZSKSUSIXOONY-UHFFFAOYSA-N	2	0	347.511	1.422	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)NCc2cccc(OCC[NH+](C)C)c2)CC1	ZINC000299160027	443971396	/nfs/dbraw/zinc/97/13/96/443971396.db2.gz	OPWWXGZGIVGCCT-UHFFFAOYSA-N	2	0	343.471	1.588	20	30		EDEDRP
C#CC[N@@H+](C)CCCNC(=O)N[C@H](Cc1ccccc1)C[NH+](C)C	ZINC000297471183	444290030	/nfs/dbraw/zinc/29/00/30/444290030.db2.gz	UTPUIBYLDHERQP-GOSISDBHSA-N	2	0	330.476	1.414	20	30		EDEDRP
CC[NH+](CC)CCO[C@H]1CCN([C@@H](C(N)=O)c2ccc(C#N)cc2)C1	ZINC000350242859	445798712	/nfs/dbraw/zinc/79/87/12/445798712.db2.gz	AYVRUMSXBAJVIR-ZWKOTPCHSA-N	2	0	344.459	1.517	20	30		EDEDRP
C=CCN(CC=C)C(=O)CN1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1	ZINC000369406404	446116939	/nfs/dbraw/zinc/11/69/39/446116939.db2.gz	JPKJZAWLTKYYGX-GOSISDBHSA-N	2	0	334.508	1.287	20	30		EDEDRP
C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1	ZINC000418541487	446586595	/nfs/dbraw/zinc/58/65/95/446586595.db2.gz	AZIRXEIZHNDVLG-YJBOKZPZSA-N	2	0	343.475	1.772	20	30		EDEDRP
C=C(C)C[NH+]1CCC(NC(=O)N2C[C@@H](C)[N@@H+](CCO)C[C@@H]2C)CC1	ZINC000419457457	447191128	/nfs/dbraw/zinc/19/11/28/447191128.db2.gz	WLJQURRXYAVOPC-CVEARBPZSA-N	2	0	338.496	1.123	20	30		EDEDRP
CC[NH+]1CCN(CC(C)(C)[NH2+]CC(=O)N[C@](C)(C#N)C(C)C)CC1	ZINC000451991893	447797637	/nfs/dbraw/zinc/79/76/37/447797637.db2.gz	TVLOPOODXREPND-GOSISDBHSA-N	2	0	337.512	1.047	20	30		EDEDRP
C#CCNC(=O)CC[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1	ZINC000491495318	448043751	/nfs/dbraw/zinc/04/37/51/448043751.db2.gz	IKXMJXIZGOCVIF-RBUKOAKNSA-N	2	0	325.456	1.580	20	30		EDEDRP
CN(CCC#N)C[C@@H](O)C[NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1	ZINC000556865577	448167942	/nfs/dbraw/zinc/16/79/42/448167942.db2.gz	DBNHISBDAUHJQR-FQEVSTJZSA-N	2	0	344.503	1.968	20	30		EDEDRP
C[N@@H+]1CCC[C@@H](CC[NH2+]C[C@@H](O)COc2ccc(CC#N)cc2)C1	ZINC000572028569	448267592	/nfs/dbraw/zinc/26/75/92/448267592.db2.gz	CMGCQXSJXZYXST-ZWKOTPCHSA-N	2	0	331.460	1.814	20	30		EDEDRP
C=CC[N@@H+](CCN1CC[NH2+]CC1)[C@@H](C)c1cccc(-n2cnnn2)c1	ZINC000567896526	448780862	/nfs/dbraw/zinc/78/08/62/448780862.db2.gz	YJNJPPFBOUOJHY-INIZCTEOSA-N	2	0	341.463	1.117	20	30		EDEDRP
CC[NH2+][C@H](C)CNC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000593717211	449158579	/nfs/dbraw/zinc/15/85/79/449158579.db2.gz	ZOJFYEKKILIHKZ-OAHLLOKOSA-N	2	0	343.475	1.820	20	30		EDEDRP
CC[NH+](CC)CC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000593882335	449259960	/nfs/dbraw/zinc/25/99/60/449259960.db2.gz	HZKJMFBMJBOEIE-UHFFFAOYSA-N	2	0	328.460	1.981	20	30		EDEDRP
Cn1ncc(C#N)c1NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1	ZINC000596098188	449361118	/nfs/dbraw/zinc/36/11/18/449361118.db2.gz	PNPWVPCZVDWTRC-UHFFFAOYSA-N	2	0	325.420	1.311	20	30		EDEDRP
C[C@H]1CC[N@H+](CC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)C1	ZINC000594239558	449405793	/nfs/dbraw/zinc/40/57/93/449405793.db2.gz	RNLULFYENLEQJR-INIZCTEOSA-N	2	0	328.460	1.790	20	30		EDEDRP
C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)NCc1ccc(C#N)cc1F	ZINC000596271272	449448330	/nfs/dbraw/zinc/44/83/30/449448330.db2.gz	YRTOITZYYMUDFW-AWEZNQCLSA-N	2	0	349.454	1.769	20	30		EDEDRP
N#CC1(C[C@@H](O)C[NH2+]CC2CC[NH+](CC3CC3)CC2)CCOCC1	ZINC000600742474	449528358	/nfs/dbraw/zinc/52/83/58/449528358.db2.gz	CZIMCYPBGLZAFT-GOSISDBHSA-N	2	0	335.492	1.769	20	30		EDEDRP
C[N@H+](C[C@@H](O)COc1ccc(CC#N)cc1)C[C@@H]1CCC[NH+](C)C1	ZINC000610162866	450150267	/nfs/dbraw/zinc/15/02/67/450150267.db2.gz	JOFXZASRGOUHOB-QZTJIDSGSA-N	2	0	331.460	1.766	20	30		EDEDRP
COc1ccc(NC(=[NH2+])NC[C@@H](C(C)C)N2CC[NH+](C)CC2)cc1	ZINC000104160692	533988721	/nfs/dbraw/zinc/98/87/21/533988721.db2.gz	SVVRELHXRUFQCD-KRWDZBQOSA-N	2	0	333.480	1.694	20	30		EDEDRP
C[NH+]=C(NC[C@@H]1CCCO1)NCC1([NH+]2CCSCC2)CCCC1	ZINC000113870772	526370702	/nfs/dbraw/zinc/37/07/02/526370702.db2.gz	LHBVNKYYFRHFAS-HNNXBMFYSA-N	2	0	340.537	1.692	20	30		EDEDRP
CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc2c(c1)OCCCO2	ZINC000104181651	529100852	/nfs/dbraw/zinc/10/08/52/529100852.db2.gz	BYROJYKUKXUSPB-HNNXBMFYSA-N	2	0	332.448	1.737	20	30		EDEDRP
CC(C)(C)[C@@H](Cn1ccnc1)[NH2+]C[C@@H]1CNc2c(C#N)cnn2C1	ZINC000731150874	578668633	/nfs/dbraw/zinc/66/86/33/578668633.db2.gz	JDUDYYHLYTURQC-UKRRQHHQSA-N	2	0	327.436	1.697	20	30		EDEDRP
C#CCOc1ccc([C@@H](C)[NH2+]CCC[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1	ZINC000765796025	580151489	/nfs/dbraw/zinc/15/14/89/580151489.db2.gz	IKJYFECXKBTFQZ-SJLPKXTDSA-N	2	0	343.471	1.937	20	30		EDEDRP
C[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1ccc(OCC#N)cc1	ZINC000776157871	580409924	/nfs/dbraw/zinc/40/99/24/580409924.db2.gz	UEGWHZRPONVGAT-DOTOQJQBSA-N	2	0	344.459	1.827	20	30		EDEDRP
C#Cc1ccc(S(=O)(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)cc1	ZINC000907310513	592580583	/nfs/dbraw/zinc/58/05/83/592580583.db2.gz	OWOLUFCOHPRAFA-IAGOWNOFSA-N	2	0	349.500	1.028	20	30		EDEDRP
N#Cc1ccc(N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)cc1[N+](=O)[O-]	ZINC000905700363	592613811	/nfs/dbraw/zinc/61/38/11/592613811.db2.gz	GDCWGFPBPHHABH-CALCHBBNSA-N	2	0	341.415	1.871	20	30		EDEDRP
N#Cc1cccc(N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)c1[N+](=O)[O-]	ZINC000905702078	592615305	/nfs/dbraw/zinc/61/53/05/592615305.db2.gz	TZLBNTLNDSXHMO-IYBDPMFKSA-N	2	0	341.415	1.871	20	30		EDEDRP
C#CCN1CCN(C(=O)CN2CC[C@@H](c3cccc(Cl)c3)C2)CC1	ZINC000814666342	593599876	/nfs/dbraw/zinc/59/98/76/593599876.db2.gz	GMLAMZQDIDQPQB-QGZVFWFLSA-N	2	0	345.874	1.907	20	30		EDEDRP
CCc1ccc([C@@H](CNC(=O)C#CC2CC[NH2+]CC2)[NH+](C)C)cc1	ZINC000852855462	595578138	/nfs/dbraw/zinc/57/81/38/595578138.db2.gz	ZKKRFULQFDCNKX-LJQANCHMSA-N	2	0	327.472	1.971	20	30		EDEDRP
C=C(C[NH+](C)C)C(=O)NC1(C[NH+]2CCN(c3ccccc3)CC2)CC1	ZINC000855920119	595859512	/nfs/dbraw/zinc/85/95/12/595859512.db2.gz	AVKAJBMTJXSQLI-UHFFFAOYSA-N	2	0	342.487	1.575	20	30		EDEDRP
N#Cc1cccc(C[NH+]2CCC(N3C(=O)O[C@@H]4C[NH2+]C[C@@H]43)CC2)c1	ZINC000863643573	596641478	/nfs/dbraw/zinc/64/14/78/596641478.db2.gz	ONOZMZNADMESCN-DLBZAZTESA-N	2	0	326.400	1.315	20	30		EDEDRP
CCC[NH+]1CCC(NC(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)CC1	ZINC000876711868	597298846	/nfs/dbraw/zinc/29/88/46/597298846.db2.gz	HIVBVBMFMGFJLR-SFHVURJKSA-N	2	0	326.444	1.736	20	30		EDEDRP
C[NH+](C)[C@]1(CNC(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)CCSC1	ZINC000876727014	597308019	/nfs/dbraw/zinc/30/80/19/597308019.db2.gz	UFFSIVLEKITGCT-AEFFLSMTSA-N	2	0	344.484	1.299	20	30		EDEDRP
C#CC1(F)CN(C(=O)NCC2([NH+]3CCCCC3)CCN(C)CC2)C1	ZINC000883467864	597760718	/nfs/dbraw/zinc/76/07/18/597760718.db2.gz	BDZIURFGCBEVLQ-UHFFFAOYSA-N	2	0	336.455	1.303	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)N2C[C@@H]3CCC[C@@H]([NH2+]CC=C)[C@H]3C2)CC1	ZINC000992927411	695458159	/nfs/dbraw/zinc/45/81/59/695458159.db2.gz	UMKSDPLYYPSLJD-GBESFXJTSA-N	2	0	329.488	1.734	20	30		EDEDRP
C[N@@H+]1CCC[C@H]1C(=O)NCC1CN(CC#Cc2ccc(Cl)cc2)C1	ZINC001031579694	697275249	/nfs/dbraw/zinc/27/52/49/697275249.db2.gz	KDMUHMHNLCXIJN-SFHVURJKSA-N	2	0	345.874	1.834	20	30		EDEDRP
C=C(C)CC[NH+]1CC(N2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)CC2)C1	ZINC000941410370	701516887	/nfs/dbraw/zinc/51/68/87/701516887.db2.gz	FCXHVIHFTPNMQT-LJQANCHMSA-N	2	0	346.519	1.123	20	30		EDEDRP
C#CCC[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)[C@@H](C)C1	ZINC000944045813	702002540	/nfs/dbraw/zinc/00/25/40/702002540.db2.gz	FGRJIAUQUOXMJI-QFBILLFUSA-N	2	0	331.504	1.958	20	30		EDEDRP
C#CC[N@@H+]1CC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)[C@@H](C)C1	ZINC000942718218	703231959	/nfs/dbraw/zinc/23/19/59/703231959.db2.gz	DBQSUIICOPHZBN-LPHOPBHVSA-N	2	0	327.472	1.864	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)NC2CC[NH+](Cc3ocnc3C)CC2)CC1	ZINC001004201334	703928518	/nfs/dbraw/zinc/92/85/18/703928518.db2.gz	NACCGLTTZZGLQU-UHFFFAOYSA-N	2	0	344.459	1.409	20	30		EDEDRP
CC#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+]4CCC[C@@H]4CO3)CC[C@@H]2C1	ZINC000946597962	704309051	/nfs/dbraw/zinc/30/90/51/704309051.db2.gz	SCUQFUNPLFROKZ-FCGDIQPGSA-N	2	0	345.487	1.043	20	30		EDEDRP
C=C(Br)C[NH2+]C1CC(N(C)C(=O)[C@@H]2CCC[N@@H+]2C)C1	ZINC000998557211	705996123	/nfs/dbraw/zinc/99/61/23/705996123.db2.gz	RTUQDSPDKIMPIZ-BPCQOVAHSA-N	2	0	330.270	1.568	20	30		EDEDRP
C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2ccc(C#N)cc2)C1	ZINC000998722054	706153582	/nfs/dbraw/zinc/15/35/82/706153582.db2.gz	NVSQBQMHZYITQN-MSOLQXFVSA-N	2	0	326.444	1.733	20	30		EDEDRP
C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2cccc(C#N)c2)C1	ZINC000998721556	706157148	/nfs/dbraw/zinc/15/71/48/706157148.db2.gz	MUGGWWQBXLUAPG-QZTJIDSGSA-N	2	0	326.444	1.733	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)N(C)C2CC([NH2+]Cc3cnoc3C)C2)CC1	ZINC000999869762	707511804	/nfs/dbraw/zinc/51/18/04/707511804.db2.gz	GRDPFBLLFASRGG-UHFFFAOYSA-N	2	0	344.459	1.407	20	30		EDEDRP
CN(C(=O)C[C@@H]1CC[NH+](C)C1)[C@@H]1CC[N@H+](Cc2cccc(C#N)c2)C1	ZINC001033580649	708261777	/nfs/dbraw/zinc/26/17/77/708261777.db2.gz	GHVCKHPAWZTGTO-RBUKOAKNSA-N	2	0	340.471	1.933	20	30		EDEDRP
CN(C(=O)C12CC[NH+](CC1)C2)[C@H]1CC[N@H+](Cc2cccc(C#N)c2)C1	ZINC001033592486	708291148	/nfs/dbraw/zinc/29/11/48/708291148.db2.gz	HPSSIDVNJLUIRO-SFHVURJKSA-N	2	0	338.455	1.687	20	30		EDEDRP
CCN(C(=O)[C@H]1CC[NH+](C)C1)[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2)C1	ZINC001034043557	709294950	/nfs/dbraw/zinc/29/49/50/709294950.db2.gz	WJPXJNRKAOJJOJ-RBUKOAKNSA-N	2	0	340.471	1.933	20	30		EDEDRP
CN(C(=O)[C@H]1CCC[N@@H+]1C)[C@@H]1CCN(CC#Cc2ccc(F)cc2)C1	ZINC001032968654	711043748	/nfs/dbraw/zinc/04/37/48/711043748.db2.gz	SFTPBANEXCQSQD-RTBURBONSA-N	2	0	343.446	1.804	20	30		EDEDRP
C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1cccc(C#N)c1	ZINC001034882367	711283227	/nfs/dbraw/zinc/28/32/27/711283227.db2.gz	VZRHVLLPUXMTMP-QZTJIDSGSA-N	2	0	326.444	1.733	20	30		EDEDRP
C=CC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@H](C)C[NH+]2CCOCC2)CC1	ZINC001004616690	712076699	/nfs/dbraw/zinc/07/66/99/712076699.db2.gz	NCFIGZLZCJPBIB-MJGOQNOKSA-N	2	0	349.519	1.844	20	30		EDEDRP
C[NH+]=C(NCc1cccc(N(C)C)n1)N[C@H]1C[N@@H+](C(C)C)C[C@H]1C	ZINC000158483917	441739201	/nfs/dbraw/zinc/73/92/01/441739201.db2.gz	XSJNVANNQZHGAW-ZBFHGGJFSA-N	2	0	332.496	1.541	20	30		EDEDRP
C[NH+]=C(NC[C@]1(O)CCc2ccccc21)N[C@H]1C[N@@H+](C(C)C)C[C@H]1C	ZINC000262005235	443178997	/nfs/dbraw/zinc/17/89/97/443178997.db2.gz	VLKKWEFKLPZRCH-MOXGXCLJSA-N	2	0	344.503	1.714	20	30		EDEDRP
COc1ccc(CNC(=[NH2+])NCC[NH+]2CCCCCC2)cc1OC	ZINC000264135444	443252515	/nfs/dbraw/zinc/25/25/15/443252515.db2.gz	ZOJPUWDVCNNIRY-UHFFFAOYSA-N	2	0	334.464	1.984	20	30		EDEDRP
C=CCNC(=[NH2+])NCc1cccc(OCC[N@@H+](C)C2CCOCC2)c1	ZINC000264269630	443257061	/nfs/dbraw/zinc/25/70/61/443257061.db2.gz	LJLVBKGXCCXCNT-UHFFFAOYSA-N	2	0	346.475	1.767	20	30		EDEDRP
CO[C@@H](C)c1noc(CON=C(N)c2ccc(C[NH+](C)C)cc2)n1	ZINC000267009233	443312661	/nfs/dbraw/zinc/31/26/61/443312661.db2.gz	LRFJIYIZXOBQMU-NSHDSACASA-N	2	0	333.392	1.676	20	30		EDEDRP
CC#CCN(C)CC(=O)N1CCC[N@H+](Cc2ccccc2C)CC1	ZINC000293357108	443993385	/nfs/dbraw/zinc/99/33/85/443993385.db2.gz	ZQISNJSTWZRZID-UHFFFAOYSA-N	2	0	327.472	1.984	20	30		EDEDRP
Cc1cc(C#N)cnc1C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C	ZINC000550678692	320912808	/nfs/dbraw/zinc/91/28/08/320912808.db2.gz	OYHVMFUDKBDNQV-UHFFFAOYSA-N	2	0	331.464	1.607	20	30		EDEDRP
CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CC(=O)Nc2ccccc21	ZINC000304807940	444253631	/nfs/dbraw/zinc/25/36/31/444253631.db2.gz	UEWRBOJYYAVKGR-ZIAGYGMSSA-N	2	0	329.448	1.501	20	30		EDEDRP
CCOC(=O)N1CCC(NC(=[NH2+])NCC(C)(C)C[NH+](C)C)CC1	ZINC000303719899	444237842	/nfs/dbraw/zinc/23/78/42/444237842.db2.gz	WEDWXKTWUUBJNT-UHFFFAOYSA-N	2	0	327.473	1.099	20	30		EDEDRP
CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCC(=O)N1CCc2sccc2C1	ZINC000303971450	444238156	/nfs/dbraw/zinc/23/81/56/444238156.db2.gz	DTDBEHZBZTYRBG-CQSZACIVSA-N	2	0	349.504	1.021	20	30		EDEDRP
C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@H]([NH3+])CCC(=O)OC)C(C)C	ZINC000290088830	444241121	/nfs/dbraw/zinc/24/11/21/444241121.db2.gz	WZHHYIKKZKEFHV-CABCVRRESA-N	2	0	325.453	1.082	20	30		EDEDRP
CN1CCC(CNC(=O)Cn2cnc(C#N)n2)([NH+]2CCCCC2)CC1	ZINC000330216054	444892056	/nfs/dbraw/zinc/89/20/56/444892056.db2.gz	HKZQLHZVBSCQIF-UHFFFAOYSA-N	2	0	345.451	1.057	20	30		EDEDRP
C=CCN1CC[C@H]([NH+]2C[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)C1=O	ZINC000337251418	445003977	/nfs/dbraw/zinc/00/39/77/445003977.db2.gz	QZMPLFAASBAUKW-FHWLQOOXSA-N	2	0	325.456	1.837	20	30		EDEDRP
C(#CC[N@@H+]1CCC[C@@H]2COCC[C@@H]21)C[NH+]1CCC[C@@H]2COCC[C@@H]21	ZINC000341893412	445057480	/nfs/dbraw/zinc/05/74/80/445057480.db2.gz	HURKQNCWBBVRIT-ZRNYENFQSA-N	2	0	332.488	1.992	20	30		EDEDRP
C[C@H](C(=O)N(C)CCC#N)[NH+]1CCC2(C[C@@H]2C[N@H+](C)C2CC2)CC1	ZINC000367309820	446535370	/nfs/dbraw/zinc/53/53/70/446535370.db2.gz	KYGHXLPUWHLENS-HZPDHXFCSA-N	2	0	332.492	1.943	20	30		EDEDRP
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CC[C@@H](C[NH3+])C1	ZINC000418785109	446701222	/nfs/dbraw/zinc/70/12/22/446701222.db2.gz	HNHLCDBZISYRML-MSOLQXFVSA-N	2	0	343.475	1.759	20	30		EDEDRP
C=C(C)C[NH+]1CCC(NC(=O)N2C[C@H](C)[N@@H+](CCO)C[C@@H]2C)CC1	ZINC000419457458	447191526	/nfs/dbraw/zinc/19/15/26/447191526.db2.gz	WLJQURRXYAVOPC-HOTGVXAUSA-N	2	0	338.496	1.123	20	30		EDEDRP
C#CC[N@@H+](C)CCCNC(=O)N(CC[NH+](C)C)Cc1ccsc1	ZINC000491475095	448037136	/nfs/dbraw/zinc/03/71/36/448037136.db2.gz	SQDRLFZNMAOQLF-UHFFFAOYSA-N	2	0	336.505	1.776	20	30		EDEDRP
C[C@@H](C#N)CNC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1	ZINC000541020456	448665253	/nfs/dbraw/zinc/66/52/53/448665253.db2.gz	NIDVACKWUMFSQD-HNNXBMFYSA-N	2	0	330.436	1.053	20	30		EDEDRP
C[NH+]1CCC2(CC1)C[N@H+](CCC(=O)Nc1ccccc1C#N)CCO2	ZINC000592184253	448726465	/nfs/dbraw/zinc/72/64/65/448726465.db2.gz	HPVRHCVMUDQPRE-UHFFFAOYSA-N	2	0	342.443	1.683	20	30		EDEDRP
C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1	ZINC000599939211	449117831	/nfs/dbraw/zinc/11/78/31/449117831.db2.gz	WPMGCXJVWPOKFS-MAUKXSAKSA-N	2	0	341.459	1.526	20	30		EDEDRP
N#Cc1cccc(C[NH+]2CCC(NC(=O)C[C@H]3CC[NH2+]C3)CC2)c1	ZINC000593918213	449285709	/nfs/dbraw/zinc/28/57/09/449285709.db2.gz	ADEQARQMTRSPDR-MRXNPFEDSA-N	2	0	326.444	1.638	20	30		EDEDRP
C[C@H](CC1(C#N)CCOCC1)[NH2+]CC1CC[NH+](CCN(C)C)CC1	ZINC000602545848	449665307	/nfs/dbraw/zinc/66/53/07/449665307.db2.gz	QLCUCMPWWHADDV-QGZVFWFLSA-N	2	0	336.524	1.949	20	30		EDEDRP
C=CC[NH+]1CCC(NC(=O)[C@@H](N)C[N@@H+](C)Cc2ccccc2)CC1	ZINC000638099447	451265227	/nfs/dbraw/zinc/26/52/27/451265227.db2.gz	INJWUJLBVYUOTC-SFHVURJKSA-N	2	0	330.476	1.212	20	30		EDEDRP
C=C(C)C[NH+]1CCC(NC(=O)Nc2cnc3c(c2)C[NH2+]CC3)CC1	ZINC000667795879	486968704	/nfs/dbraw/zinc/96/87/04/486968704.db2.gz	SXZXQQWNYSBCPB-UHFFFAOYSA-N	2	0	329.448	1.889	20	30		EDEDRP
N#CC1(C[C@H](O)C[NH+]2CCN(c3cc[nH+]cc3)CC2)CCOCC1	ZINC000599313439	485644968	/nfs/dbraw/zinc/64/49/68/485644968.db2.gz	YUGZGVUGNFLGLW-KRWDZBQOSA-N	2	0	330.432	1.275	20	30		EDEDRP
CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccnc(-n2cccn2)c1	ZINC000104164106	529073153	/nfs/dbraw/zinc/07/31/53/529073153.db2.gz	GZXCPBBLLMLGBD-OAHLLOKOSA-N	2	0	327.436	1.156	20	30		EDEDRP
CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc2c(c1)CCCN2C	ZINC000104181977	529073645	/nfs/dbraw/zinc/07/36/45/529073645.db2.gz	GTDQPIRNQDURTC-QGZVFWFLSA-N	2	0	329.492	1.958	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)CC1	ZINC000733160650	578746180	/nfs/dbraw/zinc/74/61/80/578746180.db2.gz	RGKXSVHLUSADSN-GOSISDBHSA-N	2	0	333.476	1.091	20	30		EDEDRP
C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@@H](O)c1ccc(C#N)cc1	ZINC000780938398	580538128	/nfs/dbraw/zinc/53/81/28/580538128.db2.gz	BDKAWNRQAPIHAJ-SFHVURJKSA-N	2	0	346.475	1.324	20	30		EDEDRP
C=C(C)C[C@H](CO)[NH2+]C1CCN(CCNC(=O)OC(C)(C)C)CC1	ZINC000896034454	591325971	/nfs/dbraw/zinc/32/59/71/591325971.db2.gz	CKNDDGAGKSEMRW-MRXNPFEDSA-N	2	0	341.496	1.892	20	30		EDEDRP
C[NH+](C)C[C@@H]1CN(c2cc(C#N)sc2[N+](=O)[O-])C[C@H]1C[NH+](C)C	ZINC000894868763	591451805	/nfs/dbraw/zinc/45/18/05/591451805.db2.gz	LTZZXPJJYYGXSF-VXGBXAGGSA-N	2	0	337.449	1.704	20	30		EDEDRP
O=C1[C@H]([NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)CCCN1O	ZINC000895167270	591633404	/nfs/dbraw/zinc/63/34/04/591633404.db2.gz	XWMVOYGGEXPZCX-QGZVFWFLSA-N	2	0	333.432	1.631	20	30		EDEDRP
C=C(CC[NH+](C)C)C(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1	ZINC000900529499	592048164	/nfs/dbraw/zinc/04/81/64/592048164.db2.gz	SMHOBAIOIZTJKD-UHFFFAOYSA-N	2	0	346.475	1.102	20	30		EDEDRP
C=C(CC[NH+](C)C)C(=O)N1CCCN(Cc2cnn(CC)c2)CC1	ZINC000900596076	592063924	/nfs/dbraw/zinc/06/39/24/592063924.db2.gz	AMKKGCSMNIZNSA-UHFFFAOYSA-N	2	0	333.480	1.445	20	30		EDEDRP
C#CCN1CCC[C@H]([NH2+]C[C@H](O)CN2CCc3ccccc3C2)C1	ZINC000905461252	592541551	/nfs/dbraw/zinc/54/15/51/592541551.db2.gz	PLMQTWNDYSFWCR-PMACEKPBSA-N	2	0	327.472	1.093	20	30		EDEDRP
C#C[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)C1CCOCC1	ZINC000827565341	594234199	/nfs/dbraw/zinc/23/41/99/594234199.db2.gz	LGBFXEZDDUTQNL-HXUWFJFHSA-N	2	0	327.472	1.956	20	30		EDEDRP
CC1(C(=O)N[C@H]2C[NH2+]C[C@@H]2C#N)CC[NH+](Cc2ccccc2)CC1	ZINC000834507139	595148532	/nfs/dbraw/zinc/14/85/32/595148532.db2.gz	YLCWGLJAFWCYRT-IRXDYDNUSA-N	2	0	326.444	1.516	20	30		EDEDRP
C#CC[N@H+](C)CCCNC(=O)N[C@@]1(C)CC[NH+](Cc2ccccc2)C1	ZINC000845220917	595463599	/nfs/dbraw/zinc/46/35/99/595463599.db2.gz	PGEBTMOZLHNDCR-FQEVSTJZSA-N	2	0	342.487	1.905	20	30		EDEDRP
CC[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](CCO[C@H](C)C#N)C2)ccn1	ZINC000856584491	596020371	/nfs/dbraw/zinc/02/03/71/596020371.db2.gz	KYWMKXZLUCWXCC-CRAIPNDOSA-N	2	0	332.448	1.915	20	30		EDEDRP
CC(C)[C@@H](C[NH2+]Cc1cc(C#N)ccc1N(C)C)N1CC[NH+](C)CC1	ZINC000865410800	596566183	/nfs/dbraw/zinc/56/61/83/596566183.db2.gz	IUMBKFRDMWFEFA-HXUWFJFHSA-N	2	0	343.519	1.986	20	30		EDEDRP
CN(C)c1ccc(C#N)cc1C[NH2+]CCCC[N@@H+]1CCC[C@@H]1CO	ZINC000865457680	596580985	/nfs/dbraw/zinc/58/09/85/596580985.db2.gz	NVKFMAVMGAUQMN-GOSISDBHSA-N	2	0	330.476	1.951	20	30		EDEDRP
C[C@@H]1C[N@@H+](CCCCNC(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)C[C@H](C)O1	ZINC000884196089	598023794	/nfs/dbraw/zinc/02/37/94/598023794.db2.gz	HMOMKNBOHVERNW-XAZSACEBSA-N	2	0	348.491	1.131	20	30		EDEDRP
C[C@H](CNC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N)[N@H+](C)Cc1ccccc1	ZINC000884219908	598033001	/nfs/dbraw/zinc/03/30/01/598033001.db2.gz	AQEPHSREUQTBFX-SNXQWQLTSA-N	2	0	340.471	1.762	20	30		EDEDRP
C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@@H]1C	ZINC000993980966	696480405	/nfs/dbraw/zinc/48/04/05/696480405.db2.gz	CJDQAMJGKSPWFH-FUHWJXTLSA-N	2	0	347.507	1.994	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+]([C@@H](C)COC)CC2(C)C)CC1	ZINC000941236850	701427601	/nfs/dbraw/zinc/42/76/01/701427601.db2.gz	BOHMDDJJEBCQIA-WMZOPIPTSA-N	2	0	349.519	1.583	20	30		EDEDRP
C=C(C)CN1CC[NH+](C2CCC(NC(=O)[C@H]3CC[N@@H+](C)C3)CC2)CC1	ZINC000996800352	703086515	/nfs/dbraw/zinc/08/65/15/703086515.db2.gz	AXTKQHOGBWMSJO-VIQWUECVSA-N	2	0	348.535	1.559	20	30		EDEDRP
C=C(C)C[NH+]1CCC([C@@H](C)NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)CC1	ZINC000997227928	703503943	/nfs/dbraw/zinc/50/39/43/703503943.db2.gz	BHXVFVJEPPVVCO-XDAPHXNSSA-N	2	0	347.503	1.642	20	30		EDEDRP
C#CC[NH2+][C@H]1CN(C(=O)C(C)(C)c2cnc[nH]2)CC[C@@H]1C(F)(F)F	ZINC000998303610	705706423	/nfs/dbraw/zinc/70/64/23/705706423.db2.gz	MDEXBSGBPMRDAM-RYUDHWBXSA-N	2	0	342.365	1.690	20	30		EDEDRP
C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2ccc(C#N)cc2F)C1	ZINC000998719636	706152134	/nfs/dbraw/zinc/15/21/34/706152134.db2.gz	HDELFZAKPXHOGK-SJLPKXTDSA-N	2	0	344.434	1.872	20	30		EDEDRP
C[C@H]1CC[N@H+](CC(=O)N(C)[C@H]2CC[NH+](Cc3cccc(C#N)c3)C2)C1	ZINC001033421498	707835118	/nfs/dbraw/zinc/83/51/18/707835118.db2.gz	YPYSGXNRMXMGBZ-LPHOPBHVSA-N	2	0	340.471	1.933	20	30		EDEDRP
C=C(C)C[N@H+]1CC[C@H](N(CC)C(=O)c2cnn(CC[NH+](C)C)c2)C1	ZINC001033983515	709192718	/nfs/dbraw/zinc/19/27/18/709192718.db2.gz	SKHQWJFCBXFVNU-KRWDZBQOSA-N	2	0	333.480	1.557	20	30		EDEDRP
C[N@@H+]1CCC[C@@H]2C[NH+](C[C@@H](O)COc3ccc(C#N)cc3)CC[C@H]21	ZINC000247943277	139156005	/nfs/dbraw/zinc/15/60/05/139156005.db2.gz	GQFDSBDPFBMMKR-ZHALLVOQSA-N	2	0	329.444	1.714	20	30		EDEDRP
CN(CCC#N)C(=O)CC[NH+]1CCC(CC[NH+]2CCOCC2)CC1	ZINC000374526124	250268186	/nfs/dbraw/zinc/26/81/86/250268186.db2.gz	FGRBMOARTKHIJX-UHFFFAOYSA-N	2	0	336.480	1.183	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)CC1	ZINC000374314070	250259311	/nfs/dbraw/zinc/25/93/11/250259311.db2.gz	VXPNWARKLFPEET-RBUKOAKNSA-N	2	0	325.456	1.546	20	30		EDEDRP
N#CCCC[C@H]([NH3+])C(=O)N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1	ZINC000424149199	252145325	/nfs/dbraw/zinc/14/53/25/252145325.db2.gz	BMZRJDXJMJEQNB-RCBQFDQVSA-N	2	0	336.386	1.548	20	30		EDEDRP
C[C@@H]1C[N@@H+](CC2CCN(C(=O)[C@H]([NH3+])CCCC#N)CC2)C[C@H](C)O1	ZINC000424151065	252145668	/nfs/dbraw/zinc/14/56/68/252145668.db2.gz	GZWPGNVJSJKBBR-HLLBOEOZSA-N	2	0	336.480	1.355	20	30		EDEDRP
C=CC[NH+]1CCC(NC(=O)c2cn(C)nc2[C@@H]2CCC[NH2+]C2)CC1	ZINC000424157141	252147673	/nfs/dbraw/zinc/14/76/73/252147673.db2.gz	PIXORYQLHUSYIH-CQSZACIVSA-N	2	0	331.464	1.267	20	30		EDEDRP
Cc1onc(CC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)c1C#N	ZINC000353885604	149563003	/nfs/dbraw/zinc/56/30/03/149563003.db2.gz	GULOIDVHQPKYNY-UHFFFAOYSA-N	2	0	335.452	1.129	20	30		EDEDRP
COc1cc(C[NH2+]C[C@@H](N2CC[NH2+]CC2)C(F)(F)F)ccc1C#N	ZINC000414966522	447377544	/nfs/dbraw/zinc/37/75/44/447377544.db2.gz	GMTAIZVPNVFMNN-OAHLLOKOSA-N	2	0	342.365	1.493	20	30		EDEDRP
C[C@H](Oc1ccccc1C#N)C(=O)N(CC[NH+](C)C)CC[NH+](C)C	ZINC000103212458	441178387	/nfs/dbraw/zinc/17/83/87/441178387.db2.gz	OKTPAAHWSANMQL-HNNXBMFYSA-N	2	0	332.448	1.277	20	30		EDEDRP
C[NH+]=C(NCc1ccc(N2CC[NH+](C)CC2)nc1)NCC1CCC1	ZINC000083821908	441375820	/nfs/dbraw/zinc/37/58/20/441375820.db2.gz	MQHAAQNWXHTTNO-UHFFFAOYSA-N	2	0	330.480	1.299	20	30		EDEDRP
CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1cccnc1-n1ccnc1	ZINC000170912446	442287396	/nfs/dbraw/zinc/28/73/96/442287396.db2.gz	RBPNWIYRMGOZEJ-OAHLLOKOSA-N	2	0	327.436	1.156	20	30		EDEDRP
[NH2+]=C(NCc1ccccc1C[NH+]1CCC(O)CC1)Nc1ccccn1	ZINC000178590115	442446614	/nfs/dbraw/zinc/44/66/14/442446614.db2.gz	DAKNZOLZTSKFJS-UHFFFAOYSA-N	2	0	339.443	1.965	20	30		EDEDRP
CCOCCCNC(=[NH2+])NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1	ZINC000190537148	443130743	/nfs/dbraw/zinc/13/07/43/443130743.db2.gz	IUWRKWSVSKXHOB-SFHVURJKSA-N	2	0	348.491	1.608	20	30		EDEDRP
C[NH+]=C(NCC(=O)Nc1ccccc1)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C	ZINC000261824645	443170981	/nfs/dbraw/zinc/17/09/81/443170981.db2.gz	UXEWPFFMFGWTNR-CZUORRHYSA-N	2	0	329.448	1.273	20	30		EDEDRP
C[NH+]=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)N1CC[C@@H](Oc2ccccn2)C1	ZINC000261945859	443175231	/nfs/dbraw/zinc/17/52/31/443175231.db2.gz	FVERGKNIQKJAIZ-DOTOQJQBSA-N	2	0	343.475	1.594	20	30		EDEDRP
CC(C)C[N@@H+]1CCO[C@@H](CNC(=[NH2+])N[C@@H]2CCOc3ccccc32)C1	ZINC000262486687	443197798	/nfs/dbraw/zinc/19/77/98/443197798.db2.gz	IQAISESQUGSENN-DOTOQJQBSA-N	2	0	346.475	1.771	20	30		EDEDRP
CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccccc1-n1cccn1	ZINC000264132698	443251741	/nfs/dbraw/zinc/25/17/41/443251741.db2.gz	YHNYFPSJJLVGCV-INIZCTEOSA-N	2	0	326.448	1.761	20	30		EDEDRP
COC[C@@H](C)NC(=[NH2+])NCc1ccc(C[NH+]2CCC(O)CC2)cc1	ZINC000267414404	443448778	/nfs/dbraw/zinc/44/87/78/443448778.db2.gz	JAWYDYFNMDZBSG-CQSZACIVSA-N	2	0	334.464	1.083	20	30		EDEDRP
CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@](C)(O)c1ccc(F)cc1F	ZINC000267473282	443469374	/nfs/dbraw/zinc/46/93/74/443469374.db2.gz	YOXNMHSTSWAPCV-SUMWQHHRSA-N	2	0	340.418	1.561	20	30		EDEDRP
CC[NH+]1CCN(c2ccc(CNC(=[NH2+])N(C)C3CC3)cc2F)CC1	ZINC000273320021	443567328	/nfs/dbraw/zinc/56/73/28/443567328.db2.gz	FZCGBJLHXLNSCE-UHFFFAOYSA-N	2	0	333.455	1.877	20	30		EDEDRP
COc1ccc(NC(=[NH2+])NCCN2CC[N@H+](C)C(C)(C)C2)cc1OC	ZINC000281768484	444000945	/nfs/dbraw/zinc/00/09/45/444000945.db2.gz	LYZMNIZTUHXAHC-UHFFFAOYSA-N	2	0	349.479	1.456	20	30		EDEDRP
C#C[C@H](NC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)C(C)C	ZINC000282063901	444076492	/nfs/dbraw/zinc/07/64/92/444076492.db2.gz	BLHGUDCEMUDPHK-SFHVURJKSA-N	2	0	343.475	1.551	20	30		EDEDRP
C[N@@H+]1CCC[C@H](CNC(=[NH2+])N2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000304761866	444252958	/nfs/dbraw/zinc/25/29/58/444252958.db2.gz	VANIKMKJNZTNCU-CQSZACIVSA-N	2	0	339.484	1.196	20	30		EDEDRP
C#CC[N@H+](C)CCCNC(=O)NCC[NH+]1CCc2ccccc2C1	ZINC000297479909	444291625	/nfs/dbraw/zinc/29/16/25/444291625.db2.gz	ORIYURSTQGZWJI-UHFFFAOYSA-N	2	0	328.460	1.299	20	30		EDEDRP
CN1CC[N@H+](C)C[C@@H]1CNC(=O)NC1CC[NH+](C2CCCC2)CC1	ZINC000330139311	444858766	/nfs/dbraw/zinc/85/87/66/444858766.db2.gz	WEKXXDHKFWLOET-KRWDZBQOSA-N	2	0	337.512	1.143	20	30		EDEDRP
C=CCN1CC[C@@H]([NH+]2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)C1=O	ZINC000337141270	444959986	/nfs/dbraw/zinc/95/99/86/444959986.db2.gz	RYDBHIUAYFQMOO-SOLBZPMBSA-N	2	0	335.492	1.595	20	30		EDEDRP
CC#CCN(C)CC(=O)NCc1ccccc1CN1CCOCC1	ZINC000339751648	445166791	/nfs/dbraw/zinc/16/67/91/445166791.db2.gz	AEAMRGLTAMPRMV-UHFFFAOYSA-N	2	0	329.444	1.090	20	30		EDEDRP
C=C(C)C[NH+]1CCC(NC(=O)NC[C@H]2CCC[N@H+]2CCOC)CC1	ZINC000349903255	445717066	/nfs/dbraw/zinc/71/70/66/445717066.db2.gz	LXIIAXNGHQQPJC-QGZVFWFLSA-N	2	0	338.496	1.437	20	30		EDEDRP
C=CC[NH+]1CCC(NC(=O)N2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@@H]3C2)CC1	ZINC000369657189	446139450	/nfs/dbraw/zinc/13/94/50/446139450.db2.gz	NAGUKZGNTJCGKR-JQHSSLGASA-N	2	0	332.492	1.763	20	30		EDEDRP
C[C@@H]1C[C@@H](NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)CC[NH2+]1	ZINC000418596249	446607994	/nfs/dbraw/zinc/60/79/94/446607994.db2.gz	HCWXVNZRHUTMKH-QAPCUYQASA-N	2	0	343.475	1.772	20	30		EDEDRP
C[C@H]1C[N@H+](C)C[C@H]1C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1	ZINC000487238959	447828503	/nfs/dbraw/zinc/82/85/03/447828503.db2.gz	IECQLRSFTREJBP-FUHWJXTLSA-N	2	0	340.471	1.859	20	30		EDEDRP
C=CC[NH+]1CCC(NC(=O)NCC2(O)CC[NH+](C(C)C)CC2)CC1	ZINC000532136274	448206510	/nfs/dbraw/zinc/20/65/10/448206510.db2.gz	DNTFLYFKNYGWJP-UHFFFAOYSA-N	2	0	338.496	1.171	20	30		EDEDRP
C[NH+]1CCN(Cc2ccc(NC(=O)[C@@H]([NH3+])CCCC#N)cc2)CC1	ZINC000566168883	448401388	/nfs/dbraw/zinc/40/13/88/448401388.db2.gz	VYZNXMCYFRHSPN-KRWDZBQOSA-N	2	0	329.448	1.394	20	30		EDEDRP
CC[NH+]1CCN(c2ccccc2NC(=O)[C@@H]([NH3+])CCCC#N)CC1	ZINC000578445390	448546810	/nfs/dbraw/zinc/54/68/10/448546810.db2.gz	AIYSOZZDRUBKCG-HNNXBMFYSA-N	2	0	329.448	1.788	20	30		EDEDRP
N#Cc1ccc(OC[C@H](O)C[NH2+]C2CC[NH+](C3CCC3)CC2)cc1	ZINC000579828071	448888025	/nfs/dbraw/zinc/88/80/25/448888025.db2.gz	BWSQNVAYBVLHGX-GOSISDBHSA-N	2	0	329.444	1.904	20	30		EDEDRP
C[C@@H]1[C@H](C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)CC[N@@H+]1C	ZINC000592753600	448970604	/nfs/dbraw/zinc/97/06/04/448970604.db2.gz	YOEKBDUWIAPSLK-CRAIPNDOSA-N	2	0	328.460	1.789	20	30		EDEDRP
C[NH+](C)CCC(=O)Nc1ccc(NC(=O)[C@H]([NH3+])CCCCC#N)cc1	ZINC000594437976	449516216	/nfs/dbraw/zinc/51/62/16/449516216.db2.gz	LUWDWDSWBOOTDE-MRXNPFEDSA-N	2	0	345.447	1.927	20	30		EDEDRP
N#CCCCC[C@H]([NH3+])C(=O)NCCC[N@@H+]1CCc2ccccc2C1	ZINC000594441576	449519651	/nfs/dbraw/zinc/51/96/51/449519651.db2.gz	SUYFVQPXPGKRGF-SFHVURJKSA-N	2	0	328.460	1.962	20	30		EDEDRP
C[N@H+](C[C@H](O)COc1ccc(CC#N)cc1)C[C@H]1CCC[NH+](C)C1	ZINC000610162867	450149924	/nfs/dbraw/zinc/14/99/24/450149924.db2.gz	JOFXZASRGOUHOB-ROUUACIJSA-N	2	0	331.460	1.766	20	30		EDEDRP
C=CCCn1cc(C[NH2+]CC2(N3CCCCC3)CC[NH+](C)CC2)nn1	ZINC000657377568	453778103	/nfs/dbraw/zinc/77/81/03/453778103.db2.gz	QCMAZAIDFYUDCG-UHFFFAOYSA-N	2	0	346.523	1.894	20	30		EDEDRP
C=CC[NH+](CC=C)[C@H](CNC(=O)C1C[NH+](C2CCOCC2)C1)C(C)C	ZINC000895671966	591247906	/nfs/dbraw/zinc/24/79/06/591247906.db2.gz	RVGPMJYVVLFQQI-LJQANCHMSA-N	2	0	349.519	1.912	20	30		EDEDRP
C[NH+]1CCN(c2ccc(C[NH2+]C[C@H](O)CC3(C#N)CC3)cc2)CC1	ZINC000905427883	592532227	/nfs/dbraw/zinc/53/22/27/592532227.db2.gz	PABCHDUQSPHVQN-GOSISDBHSA-N	2	0	328.460	1.583	20	30		EDEDRP
C=C(Cl)COc1ccc([C@H](C)[NH2+]CC(=O)N2CC[NH2+]CC2)cc1	ZINC000817945737	593651132	/nfs/dbraw/zinc/65/11/32/593651132.db2.gz	KNIJUGWZDYKNLX-AWEZNQCLSA-N	2	0	337.851	1.900	20	30		EDEDRP
CC1(C(=O)N[C@H]2C[NH2+]C[C@H]2C#N)CC[NH+](Cc2ccccc2)CC1	ZINC000834507142	595148574	/nfs/dbraw/zinc/14/85/74/595148574.db2.gz	YLCWGLJAFWCYRT-SJORKVTESA-N	2	0	326.444	1.516	20	30		EDEDRP
O=C(C#CC1CC[NH2+]CC1)NCCC[N@@H+]1CCc2ccccc2C1	ZINC000852858619	595579983	/nfs/dbraw/zinc/57/99/83/595579983.db2.gz	FIEDMYOYUDROEI-UHFFFAOYSA-N	2	0	325.456	1.554	20	30		EDEDRP
C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)C1	ZINC000867961942	596636197	/nfs/dbraw/zinc/63/61/97/596636197.db2.gz	ILRDAPPNUQFUQC-JFIYKMOQSA-N	2	0	326.444	1.734	20	30		EDEDRP
CCOC(=O)C1([C@H](C)[NH2+][C@@H]2Cc3ccc(C#N)cc3C2)CC[NH2+]CC1	ZINC000873275345	597245962	/nfs/dbraw/zinc/24/59/62/597245962.db2.gz	KSUIBAPEHDPCBI-KBXCAEBGSA-N	2	0	341.455	1.936	20	30		EDEDRP
CCC[NH+]1CCC(CNC(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)CC1	ZINC000876734823	597312695	/nfs/dbraw/zinc/31/26/95/597312695.db2.gz	KCOMRMNORLSRDC-IBGZPJMESA-N	2	0	340.471	1.983	20	30		EDEDRP
C=C(Cl)C[C@H]([NH3+])C(=O)N1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1	ZINC000876746686	597319219	/nfs/dbraw/zinc/31/92/19/597319219.db2.gz	OESWZEDWGAANEN-JYJNAYRXSA-N	2	0	342.915	1.473	20	30		EDEDRP
C#CCOc1ccccc1CN1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1	ZINC000877668826	597546439	/nfs/dbraw/zinc/54/64/39/597546439.db2.gz	PCFSMOYDLBPIKS-RTBURBONSA-N	2	0	329.488	1.870	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@@H]([NH2+]CC3CCCC3)C2)CC1	ZINC000939808504	699957184	/nfs/dbraw/zinc/95/71/84/699957184.db2.gz	FALZEKHPSBTTQL-APWZRJJASA-N	2	0	331.504	1.958	20	30		EDEDRP
C[C@@H]1[C@H](C(=O)N2CCC[C@H]([NH2+]Cc3ccc(C#N)cc3)C2)CC[N@@H+]1C	ZINC000999189897	706631991	/nfs/dbraw/zinc/63/19/91/706631991.db2.gz	ODIPYDIXZBYUOB-AYOQOUSVSA-N	2	0	340.471	1.979	20	30		EDEDRP
C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@@H](C)C1	ZINC000942058073	702508266	/nfs/dbraw/zinc/50/82/66/702508266.db2.gz	SPTPZEKBQPVQAV-DLBZAZTESA-N	2	0	347.507	1.851	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)N2CCC([NH2+]C[C@@H]3CCCCO3)CC2)CC1	ZINC000997365935	703599712	/nfs/dbraw/zinc/59/97/12/703599712.db2.gz	WPKUKRRQMICRAC-IBGZPJMESA-N	2	0	347.503	1.481	20	30		EDEDRP
C#CCN1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCC1CCOCC1	ZINC001032453648	703630881	/nfs/dbraw/zinc/63/08/81/703630881.db2.gz	ILBFCUITXLWKHG-FHWLQOOXSA-N	2	0	345.487	1.186	20	30		EDEDRP
C#CCC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@@H+]4CCC[C@@H]4CO3)CC[C@@H]2C1	ZINC000946597703	704292984	/nfs/dbraw/zinc/29/29/84/704292984.db2.gz	HDZICFQSQMLJPP-FCGDIQPGSA-N	2	0	345.487	1.043	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CCC3CC3)C[C@@H]2C)CC1	ZINC000945179378	705211321	/nfs/dbraw/zinc/21/13/21/705211321.db2.gz	HSKATWPIVFAUIB-LPHOPBHVSA-N	2	0	331.504	1.958	20	30		EDEDRP
C=CC[NH2+][C@H]1CN(C(=O)C2CC[NH+](C)CC2)CC[C@@H]1C(F)(F)F	ZINC000998284451	705678936	/nfs/dbraw/zinc/67/89/36/705678936.db2.gz	HAQWCMIWNHKZNS-KBPBESRZSA-N	2	0	333.398	1.883	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)N(C)C2CC([NH2+]C[C@@H]3CCCOC3)C2)CC1	ZINC000999871032	707513278	/nfs/dbraw/zinc/51/32/78/707513278.db2.gz	SGZUSCOAROIHKT-IVMQYODDSA-N	2	0	347.503	1.337	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3C[C@H]2CCCCO2)CC1	ZINC001032800472	708081060	/nfs/dbraw/zinc/08/10/60/708081060.db2.gz	KIIBXPGETDNOSX-GBESFXJTSA-N	2	0	345.487	1.186	20	30		EDEDRP
C#CC[NH+]1CCC(NC(=O)N[C@@H](C)C[N@H+](C)Cc2ccccc2)CC1	ZINC000921821381	708099190	/nfs/dbraw/zinc/09/91/90/708099190.db2.gz	XSFNHWYXPSIJNB-KRWDZBQOSA-N	2	0	342.487	1.904	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)NCC2CC[NH+](C[C@H](CC)OC)CC2)CC1	ZINC001002146268	708660414	/nfs/dbraw/zinc/66/04/14/708660414.db2.gz	YVJAQGQGFPVEJG-IBGZPJMESA-N	2	0	349.519	1.585	20	30		EDEDRP
C=CCC[NH+]1CCC(NC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)CC1	ZINC001003011186	709783175	/nfs/dbraw/zinc/78/31/75/709783175.db2.gz	NBTAIOGQZMRUPE-SFHVURJKSA-N	2	0	335.492	1.787	20	30		EDEDRP
C#CC[NH+]1CCCC[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1	ZINC001034416422	709978461	/nfs/dbraw/zinc/97/84/61/709978461.db2.gz	ZWLJNJQKMPIJBZ-ZCNNSNEGSA-N	2	0	339.483	1.936	20	30		EDEDRP
Cn1nccc1[C@H]1[C@H](CNC(=[NH2+])Nc2ccccn2)CCC[N@@H+]1C	ZINC000262675578	249322670	/nfs/dbraw/zinc/32/26/70/249322670.db2.gz	TWFQTGSDRPSMAV-XJKSGUPXSA-N	2	0	327.436	1.625	20	30		EDEDRP
N#CCCC[C@@H]([NH3+])C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1	ZINC000424153135	252145048	/nfs/dbraw/zinc/14/50/48/252145048.db2.gz	JJZUQTNTVYZNTR-ZWKOTPCHSA-N	2	0	328.460	1.688	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)CC1	ZINC000490651675	255097723	/nfs/dbraw/zinc/09/77/23/255097723.db2.gz	VCDTYVBBCGYGAF-UHFFFAOYSA-N	3	0	336.524	1.064	20	30		EDEDRP
C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)Cc1c(F)cccc1C#N	ZINC000352864806	149195797	/nfs/dbraw/zinc/19/57/97/149195797.db2.gz	XMIOIOGFOOEIGW-UHFFFAOYSA-N	2	0	348.466	1.972	20	30		EDEDRP
C[NH+](C)CCCNC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1	ZINC000053955060	441549033	/nfs/dbraw/zinc/54/90/33/441549033.db2.gz	FHIAQIGIESANNT-UHFFFAOYSA-N	2	0	343.475	1.727	20	30		EDEDRP
C[NH+]1CCN(c2ccc(CNC(=[NH2+])NC3CCCCCC3)cn2)CC1	ZINC000092277072	441785365	/nfs/dbraw/zinc/78/53/65/441785365.db2.gz	OYRPNIRBUTXANU-UHFFFAOYSA-N	2	0	344.507	1.961	20	30		EDEDRP
C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCc1ccc(C#N)cc1F	ZINC000077822761	441870658	/nfs/dbraw/zinc/87/06/58/441870658.db2.gz	KNRORNSNBABWGO-UHFFFAOYSA-N	2	0	335.427	1.332	20	30		EDEDRP
COCCNC(=[NH2+])NCc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1	ZINC000161497514	442005534	/nfs/dbraw/zinc/00/55/34/442005534.db2.gz	OFCCCBFTEWWTPD-GASCZTMLSA-N	2	0	334.464	1.347	20	30		EDEDRP
CC[NH+]=C(NC[C@@H]1CCC[N@@H+]1C)N1CC[C@@H](Oc2ccccn2)C1	ZINC000261934339	443174163	/nfs/dbraw/zinc/17/41/63/443174163.db2.gz	CDTOYTMBZHVBBE-JKSUJKDBSA-N	2	0	331.464	1.594	20	30		EDEDRP
C[NH+]=C(NCc1cn2ccc(C)cc2n1)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C	ZINC000261659037	443163126	/nfs/dbraw/zinc/16/31/26/443163126.db2.gz	AMRNBKCQTKMVLQ-RHSMWYFYSA-N	2	0	340.475	1.790	20	30		EDEDRP
CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](CO)Cc1ccc(F)cc1	ZINC000264128162	443250982	/nfs/dbraw/zinc/25/09/82/443250982.db2.gz	WXVSMLCAQYPNMT-DOTOQJQBSA-N	2	0	336.455	1.365	20	30		EDEDRP
CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1cc([N+](=O)[O-])ccc1OC	ZINC000264130778	443251954	/nfs/dbraw/zinc/25/19/54/443251954.db2.gz	YAGLAINIVCQMOK-AWEZNQCLSA-N	2	0	335.408	1.492	20	30		EDEDRP
C[NH+](C)CCOc1ccc(CCNC(=[NH2+])Nc2ccccn2)cc1	ZINC000264324919	443260256	/nfs/dbraw/zinc/26/02/56/443260256.db2.gz	YRVBHDSVHSRYJA-UHFFFAOYSA-N	2	0	327.432	1.991	20	30		EDEDRP
CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1cn(C)nc1-c1ccccc1	ZINC000272767957	443438166	/nfs/dbraw/zinc/43/81/66/443438166.db2.gz	SGDDZUPCWVXXNJ-KRWDZBQOSA-N	2	0	340.475	1.976	20	30		EDEDRP
[NH2+]=C(NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1)NC1CC1	ZINC000267390104	443440598	/nfs/dbraw/zinc/44/05/98/443440598.db2.gz	CSGZNAGTPCFNHL-UHFFFAOYSA-N	2	0	335.883	1.919	20	30		EDEDRP
C=C(C)CNC(=[NH2+])NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1	ZINC000267406132	443446106	/nfs/dbraw/zinc/44/61/06/443446106.db2.gz	HAOGIYMFILASOZ-QGZVFWFLSA-N	2	0	343.475	1.364	20	30		EDEDRP
COc1cc(C#N)ccc1OCC[N@H+](C)CCCN(C)CC[NH+](C)C	ZINC000289475026	444154242	/nfs/dbraw/zinc/15/42/42/444154242.db2.gz	RILQRRUERITHJX-UHFFFAOYSA-N	2	0	348.491	1.761	20	30		EDEDRP
CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCC(C)(C)NC(=O)OC(C)(C)C	ZINC000304675332	444251384	/nfs/dbraw/zinc/25/13/84/444251384.db2.gz	CXBPAYGAUWYWAM-ZDUSSCGKSA-N	2	0	341.500	1.678	20	30		EDEDRP
CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@]1(CO)C[C@H]1c1ccccc1	ZINC000290614903	444301637	/nfs/dbraw/zinc/30/16/37/444301637.db2.gz	JUMPARKHAZFMPV-ZIFCJYIRSA-N	2	0	330.476	1.541	20	30		EDEDRP
C=C(C)CN(CC)C(=O)C[NH+]1CCC(C)(C[NH+]2CCOCC2)CC1	ZINC000371375807	446814418	/nfs/dbraw/zinc/81/44/18/446814418.db2.gz	WEDCZDAZMNEFCB-UHFFFAOYSA-N	2	0	337.508	1.845	20	30		EDEDRP
N#CCc1ccc(OC[C@H](O)C[NH2+]Cc2ccc3c[nH+]cn3c2)cc1	ZINC000577484828	448308513	/nfs/dbraw/zinc/30/85/13/448308513.db2.gz	YHHTVKJBOWKIKN-GOSISDBHSA-N	2	0	336.395	1.930	20	30		EDEDRP
C[NH+]1CCN(Cc2ccc(CNC(=O)[C@H]([NH3+])CCCC#N)cc2)CC1	ZINC000515838012	448355676	/nfs/dbraw/zinc/35/56/76/448355676.db2.gz	KGFJMRDJAJWXHY-GOSISDBHSA-N	2	0	343.475	1.071	20	30		EDEDRP
C[NH+](C)C1CCC([NH2+]C[C@@H](O)COc2ccc(CC#N)cc2)CC1	ZINC000567692705	448738548	/nfs/dbraw/zinc/73/85/48/448738548.db2.gz	AQYQVROUFXHPBV-DAWZGUTISA-N	2	0	331.460	1.955	20	30		EDEDRP
C[NH+]1CCN(C[C@@H](O)C[NH2+][C@@H](CCCC#N)c2ccccc2)CC1	ZINC000580870678	448959680	/nfs/dbraw/zinc/95/96/80/448959680.db2.gz	FQMKGAMUKDZRPT-OALUTQOASA-N	2	0	330.476	1.619	20	30		EDEDRP
N#CCCN1CC[NH+]([C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CC1	ZINC000602020114	449277985	/nfs/dbraw/zinc/27/79/85/449277985.db2.gz	IEXZINWZYGCURG-PKOBYXMFSA-N	2	0	326.444	1.774	20	30		EDEDRP
C[N@@H+]1CC[C@@H](CC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)C1	ZINC000602175846	449407082	/nfs/dbraw/zinc/40/70/82/449407082.db2.gz	AZXFCBHHFACDGQ-SFHVURJKSA-N	2	0	340.471	1.981	20	30		EDEDRP
C[NH+](C)C[C@H]1CN(C(=O)[C@H]([NH3+])CCCCC#N)c2ccccc2O1	ZINC000594437513	449517125	/nfs/dbraw/zinc/51/71/25/449517125.db2.gz	CNIFRQAIPIUDNH-LSDHHAIUSA-N	2	0	330.432	1.753	20	30		EDEDRP
C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)[C@@H]([NH3+])CCCCC#N)CC1	ZINC000594437463	449517152	/nfs/dbraw/zinc/51/71/52/449517152.db2.gz	JUYKRZGCQCEQCY-KSZLIROESA-N	2	0	349.523	1.415	20	30		EDEDRP
C[NH+]1CCN(C[C@@H]([NH2+]C[C@@H](O)CC(C)(C)C#N)c2ccccc2)CC1	ZINC000598720282	449561829	/nfs/dbraw/zinc/56/18/29/449561829.db2.gz	MRNQPKIHXGNBRC-RBUKOAKNSA-N	2	0	344.503	1.865	20	30		EDEDRP
C[NH+]1CCC(C[NH2+]C[C@@H](O)CC(C)(C)C#N)(N2CCCCC2)CC1	ZINC000598721275	449562998	/nfs/dbraw/zinc/56/29/98/449562998.db2.gz	UKQLIGDAYXRZEP-KRWDZBQOSA-N	2	0	336.524	1.827	20	30		EDEDRP
C[C@@H]1CCC[NH+](CC#CC[N@H+]2CCC[C@H](C)[C@H]2CCO)[C@@H]1CCO	ZINC000661498481	452299197	/nfs/dbraw/zinc/29/91/97/452299197.db2.gz	LTPLETAPXVGUBF-IYWMVGAKSA-N	2	0	336.520	1.956	20	30		EDEDRP
CC[NH+]=C(NCc1c(C)nn(C)c1C)N1CC[C@@H](C[NH+]2CCCC2)C1	ZINC000125099696	528815237	/nfs/dbraw/zinc/81/52/37/528815237.db2.gz	KAIDESFFTCQYPZ-KRWDZBQOSA-N	2	0	346.523	1.920	20	30		EDEDRP
C#Cc1ccc(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)nc1	ZINC000728864221	578553338	/nfs/dbraw/zinc/55/33/38/578553338.db2.gz	BWBNLZSSWFUJRP-UHFFFAOYSA-N	2	0	349.438	1.400	20	30		EDEDRP
C=CCS(=O)(=O)CC[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1	ZINC000782967981	580589572	/nfs/dbraw/zinc/58/95/72/580589572.db2.gz	TWHZNRPNFNKXLM-UHFFFAOYSA-N	2	0	337.489	1.129	20	30		EDEDRP
C#CC[N@@H+](C)CCCNC(=O)N1CC[NH2+]C[C@@H]1c1ccc(OC)cc1	ZINC000891921292	590689149	/nfs/dbraw/zinc/68/91/49/590689149.db2.gz	MFMAWXAAFXXENE-GOSISDBHSA-N	2	0	344.459	1.306	20	30		EDEDRP
C=C(C[NH+](C)C)C(=O)N(C)CCN1CC[NH+](Cc2ccccc2)CC1	ZINC000804342630	593406995	/nfs/dbraw/zinc/40/69/95/593406995.db2.gz	NNUKWSSOIFCKCU-UHFFFAOYSA-N	2	0	344.503	1.380	20	30		EDEDRP
C[NH+]=C(NCc1ccco1)NCc1ccncc1OCCC[NH+](C)C	ZINC000849079318	595479023	/nfs/dbraw/zinc/47/90/23/595479023.db2.gz	IDQDKSBXOZXGAU-UHFFFAOYSA-N	2	0	345.447	1.870	20	30		EDEDRP
C#CCCN1CCN(C(=O)C[C@H](n2ccnc2)C(F)(F)F)CC1	ZINC000874263449	596990514	/nfs/dbraw/zinc/99/05/14/596990514.db2.gz	FMURUKXXQZGGJV-ZDUSSCGKSA-N	2	0	328.338	1.544	20	30		EDEDRP
CC1([NH+]2CCCC2)CCN(C(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)CC1	ZINC000884454264	598110234	/nfs/dbraw/zinc/11/02/34/598110234.db2.gz	JAQLPXRDSAXZPF-KOHRHEQBSA-N	2	0	330.476	1.603	20	30		EDEDRP
C[NH+]1CCC(n2cc(NC(=O)C3CC4(C3)C[NH2+]C[C@@H]4C#N)cn2)CC1	ZINC000884461224	598111517	/nfs/dbraw/zinc/11/15/17/598111517.db2.gz	YPYKCZOVVQUGGD-FVRSWCFKSA-N	2	0	342.447	1.228	20	30		EDEDRP
C#CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)c3ccn(-c4cc[nH+]cc4)n3)C[C@H]21	ZINC000992742776	695262702	/nfs/dbraw/zinc/26/27/02/695262702.db2.gz	FPQVMZDOARLFHK-KBAYOESNSA-N	2	0	349.438	1.731	20	30		EDEDRP
C=C(C)CC[N@H+]1CCC[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@H]1C	ZINC000993365353	696013991	/nfs/dbraw/zinc/01/39/91/696013991.db2.gz	MNGVGNRKSYSPAW-SJORKVTESA-N	2	0	347.507	1.994	20	30		EDEDRP
C=C(C)CC[NH+]1CC(N2CCN(C(=O)C[N@@H+]3CCC(C)(C)C3)CC2)C1	ZINC000941567466	701579829	/nfs/dbraw/zinc/57/98/29/701579829.db2.gz	ULTJSOLPLAFHOU-UHFFFAOYSA-N	2	0	348.535	1.513	20	30		EDEDRP
C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1[NH2+]Cc1ccc(C#N)cc1	ZINC000939543894	699684951	/nfs/dbraw/zinc/68/49/51/699684951.db2.gz	GWSZIVILPOUGHE-QAPCUYQASA-N	2	0	338.455	1.591	20	30		EDEDRP
C[N@@H+]1CC[C@@H](C(=O)N2CCC(C)([NH2+]Cc3ccc(C#N)cc3)CC2)C1	ZINC000940461648	700664800	/nfs/dbraw/zinc/66/48/00/700664800.db2.gz	GVWBWFKJFYGJFI-GOSISDBHSA-N	2	0	340.471	1.981	20	30		EDEDRP
C#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCOCC2)C(C)(C)C1	ZINC000940795883	700914964	/nfs/dbraw/zinc/91/49/64/700914964.db2.gz	WJSMXVCHAYPEOZ-MSOLQXFVSA-N	2	0	347.503	1.480	20	30		EDEDRP
C#CC[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C(C)(C)C1	ZINC000941158427	701222683	/nfs/dbraw/zinc/22/26/83/701222683.db2.gz	NTKKRWNAYVXOHV-SFHVURJKSA-N	2	0	331.504	1.958	20	30		EDEDRP
C[C@@H]1[C@H](C(=O)N2CCC[C@@H]([NH2+]Cc3ccc(C#N)cc3)C2)CC[N@@H+]1C	ZINC000999189895	706632031	/nfs/dbraw/zinc/63/20/31/706632031.db2.gz	ODIPYDIXZBYUOB-ATZDWAIDSA-N	2	0	340.471	1.979	20	30		EDEDRP
C#CCC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CN(c3ccccn3)C[C@H]2C)C1	ZINC001033085588	704149728	/nfs/dbraw/zinc/14/97/28/704149728.db2.gz	VFFUJZLADAINQH-FGTMMUONSA-N	2	0	340.471	1.710	20	30		EDEDRP
C=CC[N@H+]1CCC[C@H](N(CC)C(=O)c2ccn(CC[NH+](C)C)n2)CC1	ZINC000998009504	705179269	/nfs/dbraw/zinc/17/92/69/705179269.db2.gz	YKCQZDJYWUPQAQ-KRWDZBQOSA-N	2	0	347.507	1.947	20	30		EDEDRP
C[N@@H+]1CC[C@@H](C(=O)N2CCC(C[NH2+]Cc3ccc(C#N)cc3)CC2)C1	ZINC000998271712	705651438	/nfs/dbraw/zinc/65/14/38/705651438.db2.gz	HQLFXNCEDKTFMY-LJQANCHMSA-N	2	0	340.471	1.838	20	30		EDEDRP
C=C(Cl)C[NH2+]C1CC(N(C)C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1	ZINC000999144697	706558188	/nfs/dbraw/zinc/55/81/88/706558188.db2.gz	GCALKTTVARXUCV-RDVIWEACSA-N	2	0	339.867	1.181	20	30		EDEDRP
C=C(Cl)C[NH2+]C1CC(N(C)C(=O)c2cnn(CC[NH+](C)C)c2)C1	ZINC000999539107	707039986	/nfs/dbraw/zinc/03/99/86/707039986.db2.gz	XXUVYUJTBPPUAU-UHFFFAOYSA-N	2	0	339.871	1.390	20	30		EDEDRP
C=CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+]4CC5CC4(C5)CO3)CC[C@@H]2C1	ZINC000946690432	707123017	/nfs/dbraw/zinc/12/30/17/707123017.db2.gz	QUUVIAKFORIFBV-PBIMCDDKSA-N	2	0	345.487	1.206	20	30		EDEDRP
C=C(Cl)C[NH2+][C@@H]1CCCN(C(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1	ZINC000999764463	707318981	/nfs/dbraw/zinc/31/89/81/707318981.db2.gz	KMNLTMDLNHEYHO-GYMHETDLSA-N	2	0	339.867	1.183	20	30		EDEDRP
C=CC[NH+]1CC[C@H](n2cc(CNC(=O)[C@@H]3CCC[N@H+]3C(C)C)nn2)C1	ZINC000999989941	707665131	/nfs/dbraw/zinc/66/51/31/707665131.db2.gz	IHNBZQQLHBODMS-IRXDYDNUSA-N	2	0	346.479	1.200	20	30		EDEDRP
CN(C(=O)C[C@@H]1CC[NH+](C)C1)[C@H]1CC[N@H+](Cc2ccc(C#N)cc2)C1	ZINC001033581022	708262431	/nfs/dbraw/zinc/26/24/31/708262431.db2.gz	ICBYJKLDHFGOOF-OALUTQOASA-N	2	0	340.471	1.933	20	30		EDEDRP
C#CCC[NH+]1CCC(NC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)CC1	ZINC001003009448	709795135	/nfs/dbraw/zinc/79/51/35/709795135.db2.gz	WQPXNPBNLRJLTI-SFHVURJKSA-N	2	0	333.476	1.234	20	30		EDEDRP
C=C(Br)CN1CCC(NC(=O)[C@@H]2CCCC[N@H+]2C)CC1	ZINC001003168654	710080825	/nfs/dbraw/zinc/08/08/25/710080825.db2.gz	SBJSBUARFPXMQM-AWEZNQCLSA-N	2	0	344.297	1.960	20	30		EDEDRP
N#C[C@H]1CC[C@@H]([NH2+]CCCC[NH+]2CCN(c3ncccn3)CC2)C1	ZINC000442785212	283067429	/nfs/dbraw/zinc/06/74/29/283067429.db2.gz	RADHDJCDYGHDDE-DLBZAZTESA-N	2	0	328.464	1.661	20	30		EDEDRP
C[NH+]=C(N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C)NC1CC[NH+](CC2CC2)CC1	ZINC000246314907	249307443	/nfs/dbraw/zinc/30/74/43/249307443.db2.gz	FBPYMZNRETWZIF-GVDBMIGSSA-N	2	0	334.508	1.839	20	30		EDEDRP
C[NH+](C)C1CCN(CCNC(=[NH2+])Nc2ccc3c(c2)CCC3)CC1	ZINC000267355679	249361314	/nfs/dbraw/zinc/36/13/14/249361314.db2.gz	RLEQHRNDKQZSRL-UHFFFAOYSA-N	2	0	329.492	1.928	20	30		EDEDRP
COc1cc(C#N)ccc1C[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1	ZINC000179663735	533494347	/nfs/dbraw/zinc/49/43/47/533494347.db2.gz	XLEYKGCUHWEKNV-UHFFFAOYSA-N	2	0	344.459	1.457	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)NC[C@@H](c2ccc(F)cc2)[NH+](C)C)CC1	ZINC000057177973	441096198	/nfs/dbraw/zinc/09/61/98/441096198.db2.gz	UUVDFGZZYFNFAO-SFHVURJKSA-N	2	0	331.435	1.890	20	30		EDEDRP
C[NH+]=C(NCC1([NH+]2CCCC2)CCOCC1)N(C)Cc1ccco1	ZINC000086309073	441461752	/nfs/dbraw/zinc/46/17/52/441461752.db2.gz	KGOGJCUFVMXTCP-UHFFFAOYSA-N	2	0	334.464	1.932	20	30		EDEDRP
C[NH+]=C(NC[C@H](O)c1ccccc1F)N1CC[C@@H](C[NH+]2CCCC2)C1	ZINC000262791754	443212346	/nfs/dbraw/zinc/21/23/46/443212346.db2.gz	OIECCKFRTSXIHW-YJBOKZPZSA-N	2	0	348.466	1.852	20	30		EDEDRP
C[NH+]=C(NC[C@H](O)c1cccc(F)c1)N1CC[C@@H](C[NH+]2CCCC2)C1	ZINC000262803216	443213050	/nfs/dbraw/zinc/21/30/50/443213050.db2.gz	RQLIVUXHZHOKIV-YJBOKZPZSA-N	2	0	348.466	1.852	20	30		EDEDRP
COc1ccc(CCNC(=[NH2+])NCC(C)(C)C[NH+](C)C)cc1OC	ZINC000264056198	443247565	/nfs/dbraw/zinc/24/75/65/443247565.db2.gz	AXFXEWQDJBOQBW-UHFFFAOYSA-N	2	0	336.480	1.738	20	30		EDEDRP
CC[NH+]1CCN(Cc2ccccc2CNC(=[NH2+])N[C@H](C)COC)CC1	ZINC000264123823	443250381	/nfs/dbraw/zinc/25/03/81/443250381.db2.gz	VTLGAMZNFOXGET-MRXNPFEDSA-N	2	0	347.507	1.263	20	30		EDEDRP
CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCc1ccn(-c2ccccc2)n1	ZINC000264318436	443260586	/nfs/dbraw/zinc/26/05/86/443260586.db2.gz	WZNVSFNJZBGQQY-GOSISDBHSA-N	2	0	340.475	1.803	20	30		EDEDRP
CC1CCN(C(=[NH2+])NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)CC1	ZINC000272944565	443497566	/nfs/dbraw/zinc/49/75/66/443497566.db2.gz	OCMDAOUFILBYDV-GOSISDBHSA-N	2	0	330.476	1.800	20	30		EDEDRP
C#CC[N@@H+](C)CCCNC(=O)N1CCN([C@H](C)c2cccnc2)CC1	ZINC000296956306	444264895	/nfs/dbraw/zinc/26/48/95/444264895.db2.gz	QPRBRBAKGZNQDV-QGZVFWFLSA-N	2	0	343.475	1.425	20	30		EDEDRP
C#CC[N@H+](C)CCCNC(=O)NC[C@H](c1ccco1)[NH+]1CCCC1	ZINC000296460195	444232025	/nfs/dbraw/zinc/23/20/25/444232025.db2.gz	YZLPPOHFHLLXFM-MRXNPFEDSA-N	2	0	332.448	1.671	20	30		EDEDRP
Cn1ccnc1N1CCC(NC(=O)C[N@H+](C)[C@H]2CCSC2)CC1	ZINC000328717483	444439620	/nfs/dbraw/zinc/43/96/20/444439620.db2.gz	FJCKPPWSKZSJEC-AWEZNQCLSA-N	2	0	337.493	1.783	20	30		EDEDRP
CC[N@@H+]1CCCN(C(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)CC1	ZINC000330222945	444894691	/nfs/dbraw/zinc/89/46/91/444894691.db2.gz	AAEJYNIEHDEDBJ-SJORKVTESA-N	2	0	338.496	1.306	20	30		EDEDRP
CC(C)[NH+]1CCN(C(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)CC1	ZINC000330238457	444901944	/nfs/dbraw/zinc/90/19/44/444901944.db2.gz	VFDDOWVKVFJVET-SJORKVTESA-N	2	0	338.496	1.304	20	30		EDEDRP
CC[NH2+][C@H](C)CNC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1	ZINC000418601616	446611995	/nfs/dbraw/zinc/61/19/95/446611995.db2.gz	LNSGJZRZVDMZCJ-MRXNPFEDSA-N	2	0	343.475	1.774	20	30		EDEDRP
C[NH2+]CCCc1[nH]nc(NC(=O)CC[C@H]2CCCC[N@@H+]2C)c1C#N	ZINC000554288831	448021338	/nfs/dbraw/zinc/02/13/38/448021338.db2.gz	LOSPCILZODGOBY-CYBMUJFWSA-N	2	0	332.452	1.636	20	30		EDEDRP
C[NH+]1CCC(C#N)(NC(=O)CC[N@@H+]2CCc3ccccc3C2)CC1	ZINC000562782731	448268727	/nfs/dbraw/zinc/26/87/27/448268727.db2.gz	MFMWLBAYPRQUKM-UHFFFAOYSA-N	2	0	326.444	1.539	20	30		EDEDRP
CCC[N@@H+]1CC[C@H](C[NH2+]C[C@@H](O)COc2ccc(CC#N)cc2)C1	ZINC000566108132	448390720	/nfs/dbraw/zinc/39/07/20/448390720.db2.gz	CVHYSSUAPPUUIS-QZTJIDSGSA-N	2	0	331.460	1.814	20	30		EDEDRP
C[NH+]1CCN(C(C)(C)C[NH2+]Cc2cnc3ccc(C#N)cn23)CC1	ZINC000609918354	450116748	/nfs/dbraw/zinc/11/67/48/450116748.db2.gz	BKULSVYEMWWQEO-UHFFFAOYSA-N	2	0	326.448	1.322	20	30		EDEDRP
C=CC[NH+]1CCC(NC(=O)N2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)CC1	ZINC000626969806	451040779	/nfs/dbraw/zinc/04/07/79/451040779.db2.gz	APSHSABEBOUVCB-GXTWGEPZSA-N	2	0	348.413	1.806	20	30		EDEDRP
C=C(C)C[NH+]1CCC(NC(=O)Nc2ccn(CC[NH+](C)C)n2)CC1	ZINC000173949344	526596329	/nfs/dbraw/zinc/59/63/29/526596329.db2.gz	AQSGNVPGUSFHOQ-UHFFFAOYSA-N	2	0	334.468	1.607	20	30		EDEDRP
CC[NH+]=C(NCc1c(C)nn(C)c1C)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1	ZINC000128829632	528816093	/nfs/dbraw/zinc/81/60/93/528816093.db2.gz	KYDOESADJOKFCL-SWLSCSKDSA-N	2	0	332.496	1.717	20	30		EDEDRP
CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCc1ccc(NC(C)=O)cc1	ZINC000264092961	535597106	/nfs/dbraw/zinc/59/71/06/535597106.db2.gz	LTDBJXVAXSULNV-KRWDZBQOSA-N	2	0	331.464	1.576	20	30		EDEDRP
C=C(C[NH+](C)C)C(=O)N[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO	ZINC000764629842	580125072	/nfs/dbraw/zinc/12/50/72/580125072.db2.gz	DOYQPLWEPYOSJT-ROUUACIJSA-N	2	0	331.460	1.103	20	30		EDEDRP
C#CC[N@@H+](C)CCCNC(=O)N1CC[NH2+]C[C@@H]1c1cccc(OC)c1	ZINC000891921059	590689466	/nfs/dbraw/zinc/68/94/66/590689466.db2.gz	IVAHMMBITHACAA-GOSISDBHSA-N	2	0	344.459	1.306	20	30		EDEDRP
C=C(CC[NH+](C)C)C(=O)N(C)C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1	ZINC000907566776	592712467	/nfs/dbraw/zinc/71/24/67/592712467.db2.gz	JNSFBNQBFZTBLO-FUHWJXTLSA-N	2	0	347.507	1.769	20	30		EDEDRP
C=C(CC[NH+](C)C)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1	ZINC000907739378	592766639	/nfs/dbraw/zinc/76/66/39/592766639.db2.gz	UPDRQZOXKSFUJT-LJQANCHMSA-N	2	0	345.487	1.902	20	30		EDEDRP
CCc1ccc([C@H]2C[NH2+]CCN2C(=O)C#CC2CC[NH2+]CC2)cc1	ZINC000852879720	595595029	/nfs/dbraw/zinc/59/50/29/595595029.db2.gz	YUWOAFVRYWHBPX-LJQANCHMSA-N	2	0	325.456	1.725	20	30		EDEDRP
C[NH+](C)C[C@@H]1CN(c2c(C#N)cccc2[N+](=O)[O-])C[C@H]1C[NH+](C)C	ZINC000866010984	596756994	/nfs/dbraw/zinc/75/69/94/596756994.db2.gz	QRRIBDCKMGMGIF-HUUCEWRRSA-N	2	0	331.420	1.642	20	30		EDEDRP
N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1	ZINC000876786739	597340295	/nfs/dbraw/zinc/34/02/95/597340295.db2.gz	CCTOOPDGMMWIIU-MOPGFXCFSA-N	2	0	338.455	1.736	20	30		EDEDRP
CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)C1	ZINC000876955959	597396249	/nfs/dbraw/zinc/39/62/49/597396249.db2.gz	CUQQDNVNTGHMFW-QAPCUYQASA-N	2	0	340.471	1.982	20	30		EDEDRP
CC1([NH+]2CCC2)CCN(C[C@@H](O)COc2ccc(C#N)cc2)CC1	ZINC000880469195	597940014	/nfs/dbraw/zinc/94/00/14/597940014.db2.gz	GZCNRPSAGRZMGI-QGZVFWFLSA-N	2	0	329.444	1.858	20	30		EDEDRP
C#CC[NH+]1CCC(NC(=O)NC[C@@H](c2ccsc2)[NH+](C)C)CC1	ZINC000914072903	695064093	/nfs/dbraw/zinc/06/40/93/695064093.db2.gz	AJDYAZCYPHTLGI-INIZCTEOSA-N	2	0	334.489	1.748	20	30		EDEDRP
C#CCN(C(=O)NC[C@@H](C)[N@@H+]1CCCC[C@@H]1C)C1CC[NH+](C)CC1	ZINC000914074053	695068764	/nfs/dbraw/zinc/06/87/64/695068764.db2.gz	XKQFYZZVPNIKPZ-DLBZAZTESA-N	2	0	334.508	1.988	20	30		EDEDRP
C=C(C)CN1CC(N2CCN(C(=O)[C@@H]3CCC[N@@H+](CCC)C3)CC2)C1	ZINC000941531660	701572688	/nfs/dbraw/zinc/57/26/88/701572688.db2.gz	CXENBDBSLNMMNT-GOSISDBHSA-N	2	0	348.535	1.513	20	30		EDEDRP
C=CCC[NH+]1CC(N2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)CC2)C1	ZINC000941533359	701573308	/nfs/dbraw/zinc/57/33/08/701573308.db2.gz	BMBQUFMKIHGBGX-IRXDYDNUSA-N	2	0	334.508	1.121	20	30		EDEDRP
C[N@@H+]1CC[C@H](C(=O)N2C[C@@H]([NH2+]Cc3ccccc3C#N)C(C)(C)C2)C1	ZINC000996618516	702925137	/nfs/dbraw/zinc/92/51/37/702925137.db2.gz	XLJZAZWHPWRRJM-ZWKOTPCHSA-N	2	0	340.471	1.837	20	30		EDEDRP
CC[C@H](C(=O)N1CCC([NH2+]Cc2ccc(C#N)cc2)CC1)[NH+](C)C	ZINC000996713828	703005208	/nfs/dbraw/zinc/00/52/08/703005208.db2.gz	XSNMMUCUCUSARM-GOSISDBHSA-N	2	0	328.460	1.979	20	30		EDEDRP
C[N@@H+]1CC[C@H](C(=O)N2CCC([NH2+]Cc3cccc(C#N)c3)CC2)C1	ZINC000997300855	703544093	/nfs/dbraw/zinc/54/40/93/703544093.db2.gz	YMURVIKGECWLPN-KRWDZBQOSA-N	2	0	326.444	1.591	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)N[C@H](C)C2CC[NH+](CC3CC3)CC2)CC1	ZINC000997434901	703664894	/nfs/dbraw/zinc/66/48/94/703664894.db2.gz	PWTNAUKTSJAHSV-MRXNPFEDSA-N	2	0	331.504	1.958	20	30		EDEDRP
C=CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+]4CCC[C@@H]4CO3)CC[C@@H]2C1	ZINC000946598088	704311135	/nfs/dbraw/zinc/31/11/35/704311135.db2.gz	XOQGEMCKPNQXEV-FCGDIQPGSA-N	2	0	347.503	1.596	20	30		EDEDRP
C#CC[NH2+][C@H]1CN(C(=O)CC[NH+]2CCCCC2)CC[C@@H]1C(F)(F)F	ZINC000998316255	705736432	/nfs/dbraw/zinc/73/64/32/705736432.db2.gz	QDRGALVQSAEPNV-GJZGRUSLSA-N	2	0	345.409	1.865	20	30		EDEDRP
CN(C(=O)[C@@H]1CCC[N@@H+]1C)C1CC([NH2+]Cc2ccc(C#N)c(F)c2)C1	ZINC000998548305	705983838	/nfs/dbraw/zinc/98/38/38/705983838.db2.gz	GDSVJIKGWGFGIY-HTWSVDAQSA-N	2	0	344.434	1.871	20	30		EDEDRP
C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2cc(C#N)ccc2F)C1	ZINC000998720140	706152377	/nfs/dbraw/zinc/15/23/77/706152377.db2.gz	IIAMQOYNOCFIIZ-SJLPKXTDSA-N	2	0	344.434	1.872	20	30		EDEDRP
C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2ccc(C#N)s2)C1	ZINC000998725168	706160084	/nfs/dbraw/zinc/16/00/84/706160084.db2.gz	VMQAWZGSGXBKTF-CZUORRHYSA-N	2	0	332.473	1.795	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)N(C)C2CC([NH2+]Cc3ccccn3)C2)CC1	ZINC000999871591	707515124	/nfs/dbraw/zinc/51/51/24/707515124.db2.gz	VJKGYWAMEWVSOJ-UHFFFAOYSA-N	2	0	340.471	1.506	20	30		EDEDRP
C=CCC[NH+]1CCC(NC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)CC1	ZINC001002845963	709456763	/nfs/dbraw/zinc/45/67/63/709456763.db2.gz	VSINCQQGOGCOTL-MOPGFXCFSA-N	2	0	349.519	1.890	20	30		EDEDRP
C#CCN(C(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1)C1CC[NH+](C)CC1	ZINC000922207759	710423248	/nfs/dbraw/zinc/42/32/48/710423248.db2.gz	VKFJTIRTVXUBOM-SFHVURJKSA-N	2	0	332.492	1.742	20	30		EDEDRP
C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(C#N)cc1F	ZINC001034885759	711290440	/nfs/dbraw/zinc/29/04/40/711290440.db2.gz	YPHAOZKZXFBMIQ-SJLPKXTDSA-N	2	0	344.434	1.872	20	30		EDEDRP
N#C[C@@H]1CC[C@H]([NH2+]CCCC[NH+]2CCN(c3ncccn3)CC2)C1	ZINC000442785215	283058580	/nfs/dbraw/zinc/05/85/80/283058580.db2.gz	RADHDJCDYGHDDE-SJORKVTESA-N	2	0	328.464	1.661	20	30		EDEDRP
C[C@@H]1C[NH+](CC2CCN(C(=O)[C@H]([NH3+])CCCC#N)CC2)C[C@@H](C)O1	ZINC000424151060	252145595	/nfs/dbraw/zinc/14/55/95/252145595.db2.gz	GZWPGNVJSJKBBR-BFYDXBDKSA-N	2	0	336.480	1.355	20	30		EDEDRP
CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc(C#N)[nH]c1C	ZINC000448853363	285248462	/nfs/dbraw/zinc/24/84/62/285248462.db2.gz	OMMJMBRXEVCZNY-MRXNPFEDSA-N	2	0	331.464	1.683	20	30		EDEDRP
CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccccc1OCCOC	ZINC000264106856	285253716	/nfs/dbraw/zinc/25/37/16/285253716.db2.gz	PUQYTGBLLLWNRW-MRXNPFEDSA-N	2	0	334.464	1.600	20	30		EDEDRP
N#Cc1ccc(C[N@H+]2CCCN(C(=O)N[C@@H]3CCC[NH2+]C3)CC2)cc1	ZINC000333740811	141370509	/nfs/dbraw/zinc/37/05/09/141370509.db2.gz	XOCKGWBXEYZDGP-GOSISDBHSA-N	2	0	341.459	1.528	20	30		EDEDRP
C=C(C)C[N@@H+](C)CC(=O)NC[C@@H]1CN(Cc2ccccc2)CCO1	ZINC000378491564	447435126	/nfs/dbraw/zinc/43/51/26/447435126.db2.gz	HCVDJJPJBYXPEW-GOSISDBHSA-N	2	0	331.460	1.512	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)N2CCC([N@H+]3CCO[C@@H](C)C3)CC2)CC1	ZINC000068095306	441727938	/nfs/dbraw/zinc/72/79/38/441727938.db2.gz	WPYQIDMTYLXNRO-INIZCTEOSA-N	2	0	333.476	1.043	20	30		EDEDRP
C[N@H+](CCCN1CC[NH+](C)CC1)CCC(=O)Nc1sccc1C#N	ZINC000182956968	442854502	/nfs/dbraw/zinc/85/45/02/442854502.db2.gz	WSWZQUGPSAXEDH-UHFFFAOYSA-N	2	0	349.504	1.518	20	30		EDEDRP
C[NH+]=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)N1CC[C@H](Oc2ccccn2)C1	ZINC000261945861	443175799	/nfs/dbraw/zinc/17/57/99/443175799.db2.gz	FVERGKNIQKJAIZ-RDJZCZTQSA-N	2	0	343.475	1.594	20	30		EDEDRP
C[NH+]=C(NCc1nc(C(F)(F)F)cs1)NC[C@H]1CCC[N@@H+]1C	ZINC000262564533	443200354	/nfs/dbraw/zinc/20/03/54/443200354.db2.gz	XLXHPRLOTZKJPP-SECBINFHSA-N	2	0	335.399	1.921	20	30		EDEDRP
C=CCN1CC[C@@H]([N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)C1=O	ZINC000281407954	443903029	/nfs/dbraw/zinc/90/30/29/443903029.db2.gz	QZMPLFAASBAUKW-CEXWTWQISA-N	2	0	325.456	1.837	20	30		EDEDRP
C=C(C)C[NH+]1CCC(NC(=O)Nc2ccnn2CC[NH+](C)C)CC1	ZINC000294209773	444106210	/nfs/dbraw/zinc/10/62/10/444106210.db2.gz	MAAFSLAGGOUCPT-UHFFFAOYSA-N	2	0	334.468	1.607	20	30		EDEDRP
CCOCCCNC(=[NH2+])NCC1([NH+]2CCSCC2)CCCC1	ZINC000303900341	444238249	/nfs/dbraw/zinc/23/82/49/444238249.db2.gz	WTHXHWJBPOGDPN-UHFFFAOYSA-N	2	0	328.526	1.679	20	30		EDEDRP
[NH2+]=C(NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)N1CCOCC1	ZINC000290669445	444308548	/nfs/dbraw/zinc/30/85/48/444308548.db2.gz	OVADBSMVCXQMFG-SFHVURJKSA-N	2	0	330.476	1.936	20	30		EDEDRP
O=C(NCc1ccnc(N2CCCC2)c1)N[C@H]1CC[N@@H+](C2CC2)C1	ZINC000329288086	444522055	/nfs/dbraw/zinc/52/20/55/444522055.db2.gz	HPRHDOODCIJJHF-HNNXBMFYSA-N	2	0	329.448	1.922	20	30		EDEDRP
CC(C)[NH+]1CCC(O)(CNC(=O)N[C@H]2C[N@@H+](C3CC3)C[C@H]2C)CC1	ZINC000329923844	444770812	/nfs/dbraw/zinc/77/08/12/444770812.db2.gz	IRVHYZYSHROYJM-ZBFHGGJFSA-N	2	0	338.496	1.208	20	30		EDEDRP
CN1CC[N@H+](C)C[C@H]1CNC(=O)NC1CC[NH+](C2CCCC2)CC1	ZINC000330139312	444858956	/nfs/dbraw/zinc/85/89/56/444858956.db2.gz	WEKXXDHKFWLOET-QGZVFWFLSA-N	2	0	337.512	1.143	20	30		EDEDRP
C[C@@H]1[C@H]([NH+](C)CCO)CCN1C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C	ZINC000330181707	444876193	/nfs/dbraw/zinc/87/61/93/444876193.db2.gz	GUZUKYLLTQMXJB-AKBNIOSXSA-N	2	0	338.496	1.303	20	30		EDEDRP
COc1ccc(C[NH2+][C@@H]2CCN(C3CC[NH+](C)CC3)C2)cc1C#N	ZINC000363167725	445705275	/nfs/dbraw/zinc/70/52/75/445705275.db2.gz	NMTRNFMVFUGGMS-QGZVFWFLSA-N	2	0	328.460	1.825	20	30		EDEDRP
C=CC[NH+]1CCC(NC(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)CC1	ZINC000433334395	446555882	/nfs/dbraw/zinc/55/58/82/446555882.db2.gz	HKWQSFPMFZETNN-INIZCTEOSA-N	2	0	338.496	1.437	20	30		EDEDRP
C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1)C(C)C	ZINC000417056895	447732172	/nfs/dbraw/zinc/73/21/72/447732172.db2.gz	AHMTYUTUNTYLAC-KZNAEPCWSA-N	2	0	334.508	1.936	20	30		EDEDRP
C#CCN1CCN(C(=O)C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)CC1	ZINC000490914842	447908097	/nfs/dbraw/zinc/90/80/97/447908097.db2.gz	JPCXLTDGMOUITK-CQSZACIVSA-N	2	0	330.388	1.023	20	30		EDEDRP
CC(C)(C#N)c1ccc(S(=O)(=O)N(CCC[NH3+])CCC[NH3+])cc1	ZINC000593729141	449163273	/nfs/dbraw/zinc/16/32/73/449163273.db2.gz	OMNYJIRKHJSXFG-UHFFFAOYSA-N	2	0	338.477	1.176	20	30		EDEDRP
C[C@@H]1[C@H](C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)CC[N@@H+]1C	ZINC000593885997	449263735	/nfs/dbraw/zinc/26/37/35/449263735.db2.gz	NGGXDENMMZKTPZ-DNVCBOLYSA-N	2	0	340.471	1.979	20	30		EDEDRP
C[C@@]1(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)CC[NH2+]C1	ZINC000593919309	449287378	/nfs/dbraw/zinc/28/73/78/449287378.db2.gz	SCSTWQDNQAHOMJ-LJQANCHMSA-N	2	0	326.444	1.638	20	30		EDEDRP
C[C@]1(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)CC[NH2+]C1	ZINC000593919308	449287666	/nfs/dbraw/zinc/28/76/66/449287666.db2.gz	SCSTWQDNQAHOMJ-IBGZPJMESA-N	2	0	326.444	1.638	20	30		EDEDRP
C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)NCC1(C#N)CCCC1	ZINC000593427646	449279440	/nfs/dbraw/zinc/27/94/40/449279440.db2.gz	WVAGMVAFIBGAOW-UHFFFAOYSA-N	2	0	337.512	1.985	20	30		EDEDRP
C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCc1ccc(C#N)c(F)c1	ZINC000590947203	449353126	/nfs/dbraw/zinc/35/31/26/449353126.db2.gz	IBVRRZXSLIYZLX-UHFFFAOYSA-N	2	0	335.427	1.332	20	30		EDEDRP
CC[NH+]1CCC(N2CCC[N@H+](C[C@H](O)CC(C)(C)C#N)CC2)CC1	ZINC000598621014	449498256	/nfs/dbraw/zinc/49/82/56/449498256.db2.gz	DHUAWYGEGJIAKH-GOSISDBHSA-N	2	0	336.524	1.779	20	30		EDEDRP
Cc1ccc(CN2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)cc1C#N	ZINC000599318107	449888484	/nfs/dbraw/zinc/88/84/84/449888484.db2.gz	GOTHPRXAHXLWMC-GOSISDBHSA-N	2	0	326.444	1.605	20	30		EDEDRP
CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)[C@H]([NH3+])CCCC#N)cc1	ZINC000595256316	449980446	/nfs/dbraw/zinc/98/04/46/449980446.db2.gz	MFILEBAJBBPDML-KSZLIROESA-N	2	0	344.459	1.668	20	30		EDEDRP
C=C(C)C[NH+]1CCC(NC(=O)NC2CC[NH+](CCOC)CC2)CC1	ZINC000106335620	526588702	/nfs/dbraw/zinc/58/87/02/526588702.db2.gz	HRTZKXRBNTUPLL-UHFFFAOYSA-N	2	0	338.496	1.437	20	30		EDEDRP
CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCC1(N(C)C)Cc2ccccc2C1	ZINC000267387325	535596426	/nfs/dbraw/zinc/59/64/26/535596426.db2.gz	BYPZDESYXHUXNH-SFHVURJKSA-N	2	0	343.519	1.474	20	30		EDEDRP
CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc(F)c(C[NH+](C)C)c1	ZINC000267387341	535596815	/nfs/dbraw/zinc/59/68/15/535596815.db2.gz	CAIIMUXVFSWPHX-INIZCTEOSA-N	3	0	335.471	1.776	20	30		EDEDRP
C=C(C[NH+](C)C)C(=O)NCCCN1CC[NH+](Cc2ccccc2)CC1	ZINC000764232515	580116256	/nfs/dbraw/zinc/11/62/56/580116256.db2.gz	LSLKFAKKZXQWDG-UHFFFAOYSA-N	2	0	344.503	1.428	20	30		EDEDRP
C=C(C[NH+](C)C)C(=O)N[C@H](C)C[NH+]1CCN(c2ccccc2)CC1	ZINC000764569032	580123560	/nfs/dbraw/zinc/12/35/60/580123560.db2.gz	DHPQVNKBPJNWFZ-QGZVFWFLSA-N	2	0	330.476	1.431	20	30		EDEDRP
C=C(C)C[NH+]1CCC(NC(=O)N2CCc3sc(C[NH3+])nc3C2)CC1	ZINC000891520197	591105796	/nfs/dbraw/zinc/10/57/96/591105796.db2.gz	FZTUXRWZUSAMCV-UHFFFAOYSA-N	2	0	349.504	1.710	20	30		EDEDRP
C=C(CC[NH+](C)C)C(=O)N[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO	ZINC000901130485	592243924	/nfs/dbraw/zinc/24/39/24/592243924.db2.gz	JAEMDASKVCBFND-MOPGFXCFSA-N	2	0	345.487	1.494	20	30		EDEDRP
C[N@@H+]1CCCN(c2ccc(NC(=O)[C@H]([NH3+])CCCC#N)cc2)CC1	ZINC000827249211	594656257	/nfs/dbraw/zinc/65/62/57/594656257.db2.gz	GNXMZAWFBSWAGO-QGZVFWFLSA-N	2	0	329.448	1.788	20	30		EDEDRP
C#C[C@H]1CC[C@H](NC(=O)N(C)[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)CC1	ZINC000876442817	597206738	/nfs/dbraw/zinc/20/67/38/597206738.db2.gz	VDWYYEHNFBFQGJ-ZHALLVOQSA-N	2	0	346.519	1.988	20	30		EDEDRP
CN(CC1CC[NH+](C)CC1)C(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21	ZINC000876939930	597391371	/nfs/dbraw/zinc/39/13/71/597391371.db2.gz	MYEHKWIATHUPEQ-SFHVURJKSA-N	2	0	326.444	1.545	20	30		EDEDRP
CC[NH+](Cc1cc(C#N)cc(C[N@@H+](CC)[C@@H](C)CO)c1)[C@@H](C)CO	ZINC000878654857	597668513	/nfs/dbraw/zinc/66/85/13/597668513.db2.gz	YPCPSKUTXOAQTD-HOTGVXAUSA-N	2	0	333.476	1.964	20	30		EDEDRP
N#C[C@H]1C[NH2+]CC12CC(C(=O)NC[C@@H]1CCC[N@H+](CC3CC3)C1)C2	ZINC000884421696	598100768	/nfs/dbraw/zinc/10/07/68/598100768.db2.gz	BNOSJPZUDZOIFN-WPZCVXBKSA-N	2	0	330.476	1.364	20	30		EDEDRP
C#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCOCC2)C(C)(C)C1	ZINC000940795885	700914946	/nfs/dbraw/zinc/91/49/46/700914946.db2.gz	WJSMXVCHAYPEOZ-ROUUACIJSA-N	2	0	347.503	1.480	20	30		EDEDRP
C=CCC[NH+]1CC(N2CCN(C(=O)[C@@H]3C[C@H]4CCCC[N@@H+]4C3)CC2)C1	ZINC000941408754	701521372	/nfs/dbraw/zinc/52/13/72/701521372.db2.gz	RWWHMNWHUBWDLB-QZTJIDSGSA-N	2	0	346.519	1.265	20	30		EDEDRP
C=C(C)C[NH2+][C@H]1CN(C(=O)c2ccn(CC[NH+](C)C)n2)CC1(C)C	ZINC000995817348	702133182	/nfs/dbraw/zinc/13/31/82/702133182.db2.gz	ZKDUQPWJGVMBRQ-INIZCTEOSA-N	2	0	333.480	1.461	20	30		EDEDRP
C#CC[NH2+][C@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)CC1(C)C	ZINC000995900417	702206514	/nfs/dbraw/zinc/20/65/14/702206514.db2.gz	XZMNVZLNMFMHRU-IRXDYDNUSA-N	2	0	333.476	1.090	20	30		EDEDRP
C=CCN1CC[NH+](C2CCC(NC(=O)[C@H]3CC[N@@H+](C)C3)CC2)CC1	ZINC000996802367	703088453	/nfs/dbraw/zinc/08/84/53/703088453.db2.gz	MQEQZISWZKXSFX-AOCRQIFASA-N	2	0	334.508	1.169	20	30		EDEDRP
N#Cc1ccc(C[NH2+]C2CCN(C(=O)C[NH+]3CCCC3)CC2)cc1F	ZINC000997307031	703565401	/nfs/dbraw/zinc/56/54/01/703565401.db2.gz	LWZLNZOCIDXZNP-UHFFFAOYSA-N	2	0	344.434	1.874	20	30		EDEDRP
C=CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+]4CCC[C@H]4CO3)CC[C@@H]2C1	ZINC000946598091	704311372	/nfs/dbraw/zinc/31/13/72/704311372.db2.gz	XOQGEMCKPNQXEV-ZSYWTGECSA-N	2	0	347.503	1.596	20	30		EDEDRP
C#CC[NH2+][C@@H]1CN(C(=O)C(C)(C)c2cnc[nH]2)CC[C@@H]1C(F)(F)F	ZINC000998303609	705706405	/nfs/dbraw/zinc/70/64/05/705706405.db2.gz	MDEXBSGBPMRDAM-NWDGAFQWSA-N	2	0	342.365	1.690	20	30		EDEDRP
CC[C@H](C(=O)N1CCC[C@@H]([NH2+]Cc2cccc(C#N)c2)C1)[NH+](C)C	ZINC000999496564	706994539	/nfs/dbraw/zinc/99/45/39/706994539.db2.gz	NWWKALBMYQKOHL-QZTJIDSGSA-N	2	0	328.460	1.979	20	30		EDEDRP
C=C(C)C[NH+]1CC[C@H](n2cc(CNC(=O)[C@@H]3CCCC[N@H+]3C)nn2)C1	ZINC000999996445	707676628	/nfs/dbraw/zinc/67/66/28/707676628.db2.gz	JIVVCBQZGSWNDJ-IRXDYDNUSA-N	2	0	346.479	1.202	20	30		EDEDRP
C#CCC[N@H+]1CC[C@H](N(C)C(=O)c2ccc(CC[NH+](C)C)cc2)C1	ZINC001033423894	707840478	/nfs/dbraw/zinc/84/04/78/707840478.db2.gz	UTUBIALFUJDOTG-IBGZPJMESA-N	2	0	327.472	1.960	20	30		EDEDRP
CN(C(=O)C[NH+]1CCCC1)[C@H]1CCN(Cc2ccc(F)c(C#N)c2)C1	ZINC001033657264	708428187	/nfs/dbraw/zinc/42/81/87/708428187.db2.gz	IKQNPUXDYJYIDU-KRWDZBQOSA-N	2	0	344.434	1.826	20	30		EDEDRP
C[C@@]12CN(C(=O)[C@H]([NH3+])CCCC#N)C[C@@H]1C[N@H+](Cc1ccccc1)C2	ZINC000702111215	709322052	/nfs/dbraw/zinc/32/20/52/709322052.db2.gz	KMDQONNKBXPXGN-NLWGTHIKSA-N	2	0	340.471	1.988	20	30		EDEDRP
C#CCC[N@H+]1CCCC[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCOCC2)C1	ZINC001034241251	709626880	/nfs/dbraw/zinc/62/68/80/709626880.db2.gz	PPQYWWRERCOQAK-PKOBYXMFSA-N	2	0	347.503	1.624	20	30		EDEDRP
C[NH+]=C(NCC1([NH+]2CCCC2)CCOCC1)N[C@@H]1CCN(C2CC2)C1	ZINC000086502125	712361941	/nfs/dbraw/zinc/36/19/41/712361941.db2.gz	GCHJBHNSGBJKJW-MRXNPFEDSA-N	3	0	349.523	1.033	20	30		EDEDRP
C[NH+]1CCN(c2ccc(CNC(=[NH2+])NC3CCCCC3)cn2)CC1	ZINC000264064971	249330624	/nfs/dbraw/zinc/33/06/24/249330624.db2.gz	DVDDNAYBGMBPPD-UHFFFAOYSA-N	2	0	330.480	1.570	20	30		EDEDRP
C=CCNC(=O)C[N@@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1	ZINC000377268335	250287462	/nfs/dbraw/zinc/28/74/62/250287462.db2.gz	STTUXGLMGKHZQT-UHFFFAOYSA-N	2	0	336.524	1.417	20	30		EDEDRP
C[C@@H]1[NH2+]CCC[C@H]1NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1	ZINC000418541485	267791713	/nfs/dbraw/zinc/79/17/13/267791713.db2.gz	AZIRXEIZHNDVLG-MAUKXSAKSA-N	2	0	343.475	1.772	20	30		EDEDRP
CN(C)c1cc(C#N)cc(C(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1	ZINC000555888857	306206752	/nfs/dbraw/zinc/20/67/52/306206752.db2.gz	DEWKLUNULPIUSR-UHFFFAOYSA-N	2	0	331.464	1.190	20	30		EDEDRP
CCNC(NCc1ccc(CN2CC[NH+](CC)CC2)cc1)=[NH+]CC	ZINC000066243414	441516037	/nfs/dbraw/zinc/51/60/37/441516037.db2.gz	LXKOVZXILYEWGL-UHFFFAOYSA-N	2	0	331.508	1.899	20	30		EDEDRP
COc1ccccc1CNC(=[NH2+])NC[C@@H](C(C)C)N1CC[NH+](C)CC1	ZINC000170910341	442287483	/nfs/dbraw/zinc/28/74/83/442287483.db2.gz	FVJZZPMRUMGIRA-KRWDZBQOSA-N	2	0	347.507	1.372	20	30		EDEDRP
C[NH+]=C(NCc1cn2ccccc2n1)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C	ZINC000261864904	443172707	/nfs/dbraw/zinc/17/27/07/443172707.db2.gz	ZVNJINNVFNUABW-XJKSGUPXSA-N	2	0	326.448	1.482	20	30		EDEDRP
C[NH+]=C(NC[C@]1(O)CCc2ccccc21)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C	ZINC000261659007	443162705	/nfs/dbraw/zinc/16/27/05/443162705.db2.gz	AMIGSADDHUKTRJ-LXGCGDOSSA-N	2	0	342.487	1.468	20	30		EDEDRP
C[NH+]=C(NC[C@@](C)(O)c1ccco1)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C	ZINC000262766204	443211722	/nfs/dbraw/zinc/21/17/22/443211722.db2.gz	HGNXQBSSZFXIBG-KRWWSPQJSA-N	2	0	334.464	1.667	20	30		EDEDRP
CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccccc1Cn1ccnc1	ZINC000264055250	443247660	/nfs/dbraw/zinc/24/76/60/443247660.db2.gz	APBDEAFTGPANNI-GOSISDBHSA-N	2	0	340.475	1.820	20	30		EDEDRP
COc1ccc(C[NH+]2CCC(CNC(=[NH2+])N3CCOCC3)CC2)cc1	ZINC000264108496	443249037	/nfs/dbraw/zinc/24/90/37/443249037.db2.gz	QBMHBUJKEXPRJS-UHFFFAOYSA-N	2	0	346.475	1.554	20	30		EDEDRP
CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1cc2c(cc1OC)C[C@H](C)O2	ZINC000269406271	443305665	/nfs/dbraw/zinc/30/56/65/443305665.db2.gz	FBRGBOHQSISSOI-XJKSGUPXSA-N	2	0	346.475	1.907	20	30		EDEDRP
C[NH+](C)C(C)(C)CNC(=[NH2+])N1CCN(C(=O)OC(C)(C)C)CC1	ZINC000303778333	444237884	/nfs/dbraw/zinc/23/78/84/444237884.db2.gz	JMZQAHLXVMNJCG-UHFFFAOYSA-N	2	0	327.473	1.194	20	30		EDEDRP
O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)[C@]12C[NH2+]C[C@@H]1CCCC2	ZINC000329102947	444473293	/nfs/dbraw/zinc/47/32/93/444473293.db2.gz	BWIRCXHRWBUIRL-GZBFAFLISA-N	2	0	348.413	1.559	20	30		EDEDRP
O=C(CN1CCC[C@@H](n2cncn2)C1)NC1CC[NH+](C2CC2)CC1	ZINC000329142860	444482718	/nfs/dbraw/zinc/48/27/18/444482718.db2.gz	LQAXQXNWSZBECX-MRXNPFEDSA-N	2	0	332.452	1.498	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)N2CCC(C)(C[NH+]3CCOCC3)CC2)CC1	ZINC000362049178	446177897	/nfs/dbraw/zinc/17/78/97/446177897.db2.gz	ZNFYDMMWNVVGFK-UHFFFAOYSA-N	2	0	347.503	1.293	20	30		EDEDRP
C[C@@H](C(=O)N(C)CCC#N)[NH+]1CCC2(C[C@@H]2C[N@H+](C)C2CC2)CC1	ZINC000367309824	446535699	/nfs/dbraw/zinc/53/56/99/446535699.db2.gz	KYGHXLPUWHLENS-JKSUJKDBSA-N	2	0	332.492	1.943	20	30		EDEDRP
C=CCNC(=O)c1ccc(NC(=O)CCC[NH+]2CCC([NH3+])CC2)cc1	ZINC000433146899	446537312	/nfs/dbraw/zinc/53/73/12/446537312.db2.gz	BDWGLTXARPHMOB-UHFFFAOYSA-N	2	0	344.459	1.744	20	30		EDEDRP
C(#CC[N@@H+]1CC[C@@H]2OCCC[C@@H]2C1)C[NH+]1CC[C@@H]2OCCC[C@H]2C1	ZINC000367465146	446550965	/nfs/dbraw/zinc/55/09/65/446550965.db2.gz	YIERZEKWYSGNSR-YRPNKDGESA-N	2	0	332.488	1.992	20	30		EDEDRP
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1	ZINC000418566605	446597010	/nfs/dbraw/zinc/59/70/10/446597010.db2.gz	AMVGLBBCSVDIJI-QZTJIDSGSA-N	2	0	343.475	1.901	20	30		EDEDRP
C#CCN1CCN(C(=O)C[N@H+]2CCCC[C@@H]2[C@H]2CCCC[C@H]2O)CC1	ZINC000491440617	448029868	/nfs/dbraw/zinc/02/98/68/448029868.db2.gz	PZDCPEGRXHDYLM-GUDVDZBRSA-N	2	0	347.503	1.169	20	30		EDEDRP
C#CCNC(=O)CC[N@H+]1C[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1	ZINC000491495316	448043572	/nfs/dbraw/zinc/04/35/72/448043572.db2.gz	IKXMJXIZGOCVIF-MOPGFXCFSA-N	2	0	325.456	1.580	20	30		EDEDRP
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NCC[NH2+]C1CC1	ZINC000591359266	448341799	/nfs/dbraw/zinc/34/17/99/448341799.db2.gz	IIIWCEYLIKBJJZ-UHFFFAOYSA-N	2	0	329.448	1.383	20	30		EDEDRP
CN(CCC#N)C[C@H](O)C[NH2+]Cc1ccccc1C[NH+]1CCCCC1	ZINC000574072050	448786070	/nfs/dbraw/zinc/78/60/70/448786070.db2.gz	PXMSNIBSQVBTMZ-HXUWFJFHSA-N	2	0	344.503	1.968	20	30		EDEDRP
OC1([C@H]2CCCC[NH+]2CC#CC[N@H+]2CCCC[C@@H]2C2(O)CC2)CC1	ZINC000568601530	448893739	/nfs/dbraw/zinc/89/37/39/448893739.db2.gz	YWJMYJJKUNQQQY-QZTJIDSGSA-N	2	0	332.488	1.749	20	30		EDEDRP
N#Cc1cccc(C[NH+]2CCC(NC(=O)N[C@H](C[NH3+])C3CC3)CC2)c1	ZINC000593712048	449156769	/nfs/dbraw/zinc/15/67/69/449156769.db2.gz	HJIXZIJHGIYIPS-GOSISDBHSA-N	2	0	341.459	1.559	20	30		EDEDRP
CCC[N@H+](C)CC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000593882314	449259871	/nfs/dbraw/zinc/25/98/71/449259871.db2.gz	HMPHBECEAQLFGO-UHFFFAOYSA-N	2	0	328.460	1.981	20	30		EDEDRP
CN(C(=O)[C@@H]([NH3+])CCCCC#N)[C@@H]1CCN(C2CC[NH+](C)CC2)C1	ZINC000595978301	449294697	/nfs/dbraw/zinc/29/46/97/449294697.db2.gz	UOWNCJCGBZRIOM-SJORKVTESA-N	2	0	335.496	1.025	20	30		EDEDRP
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)C[C@@H]1CC[N@H+](C)C1	ZINC000602069833	449320646	/nfs/dbraw/zinc/32/06/46/449320646.db2.gz	FGLOWLFKOSJWFQ-SFHVURJKSA-N	2	0	328.460	1.790	20	30		EDEDRP
C[NH+](C)CC1(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)CC1	ZINC000602176807	449407637	/nfs/dbraw/zinc/40/76/37/449407637.db2.gz	MELDGCZSMONHKB-UHFFFAOYSA-N	2	0	340.471	1.981	20	30		EDEDRP
N#CC1(C[C@H](O)C[NH2+][C@H]2CCN(Cc3ccccc3)C[C@H]2CO)CC1	ZINC000600746804	449531053	/nfs/dbraw/zinc/53/10/53/449531053.db2.gz	XOXBGXHVRYCAOC-FHWLQOOXSA-N	2	0	343.471	1.514	20	30		EDEDRP
C[C@@H](CC1(C#N)CCOCC1)[NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1	ZINC000602543923	449663534	/nfs/dbraw/zinc/66/35/34/449663534.db2.gz	MTWXONSZYVEYNL-JKSUJKDBSA-N	2	0	336.480	1.262	20	30		EDEDRP
CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Cc1ccc(C#N)nc1	ZINC000599248813	449830307	/nfs/dbraw/zinc/83/03/07/449830307.db2.gz	APGAFHTTYSHFME-SFHVURJKSA-N	2	0	343.475	1.370	20	30		EDEDRP
COc1ccc(NC(=[NH2+])NC[C@H](C(C)C)N2CC[NH+](C)CC2)cc1	ZINC000104160688	533991951	/nfs/dbraw/zinc/99/19/51/533991951.db2.gz	SVVRELHXRUFQCD-QGZVFWFLSA-N	2	0	333.480	1.694	20	30		EDEDRP
CC(C)CCNC(=[NH2+])NCc1ccc(CN2CC[NH+](C)CC2)cc1	ZINC000264070971	535384983	/nfs/dbraw/zinc/38/49/83/535384983.db2.gz	GDKKZDASIJSKFH-UHFFFAOYSA-N	2	0	331.508	1.884	20	30		EDEDRP
C=C(C[NH+](C)C)C(=O)Nc1cc(F)cc(NC(=O)C(=C)C[NH+](C)C)c1	ZINC000795090115	580913091	/nfs/dbraw/zinc/91/30/91/580913091.db2.gz	LAYKPGJHBMWAQN-UHFFFAOYSA-N	2	0	348.422	1.938	20	30		EDEDRP
C#CC[N@@H+](C)CCCNC(=O)N1CC[NH2+]C[C@H]1c1ccc(OC)cc1	ZINC000891921293	590689495	/nfs/dbraw/zinc/68/94/95/590689495.db2.gz	MFMAWXAAFXXENE-SFHVURJKSA-N	2	0	344.459	1.306	20	30		EDEDRP
C=C(CC[NH+](C)C)C(=O)N[C@@H]1CC[N@@H+](CCCOCC)C[C@H]1C	ZINC000900729207	592110254	/nfs/dbraw/zinc/11/02/54/592110254.db2.gz	CBOXOHVQOWJNLA-IAGOWNOFSA-N	2	0	325.497	1.748	20	30		EDEDRP
Cc1c(C[C@@H](C[NH3+])C[N@@H+]2CCc3c(CC#N)cccc3C2)cnn1C	ZINC000903935375	592386395	/nfs/dbraw/zinc/38/63/95/592386395.db2.gz	OQNHHJSLRJJNNF-INIZCTEOSA-N	2	0	337.471	1.970	20	30		EDEDRP
C=C(CC[NH+](C)C)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1	ZINC000907739375	592766582	/nfs/dbraw/zinc/76/65/82/592766582.db2.gz	UPDRQZOXKSFUJT-IBGZPJMESA-N	2	0	345.487	1.902	20	30		EDEDRP
C#CC[N@H+](C)CCCNC(=O)N1CC[C@@H]([NH+](C)Cc2ccccc2)C1	ZINC000838622756	593197073	/nfs/dbraw/zinc/19/70/73/593197073.db2.gz	LDPHZYWLMGOHDK-LJQANCHMSA-N	2	0	342.487	1.857	20	30		EDEDRP
C#CC[NH+](C)CCCNC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H]1C	ZINC000836458389	594965399	/nfs/dbraw/zinc/96/53/99/594965399.db2.gz	JMNOCLGTVFRBLB-PKOBYXMFSA-N	2	0	342.487	1.904	20	30		EDEDRP
CC[NH+]1CCC(CNC(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)CC1	ZINC000876734710	597313422	/nfs/dbraw/zinc/31/34/22/597313422.db2.gz	IYRFPLUHEJXUFS-GOSISDBHSA-N	2	0	326.444	1.593	20	30		EDEDRP
N#C[C@H]1C[NH2+]CC12CC(C(=O)N1CCC[C@H]([NH+]3CCCC3)CC1)C2	ZINC000884224378	598036007	/nfs/dbraw/zinc/03/60/07/598036007.db2.gz	OHXSJBUBOSSRDP-VIHIWDAPSA-N	2	0	330.476	1.603	20	30		EDEDRP
N#C[C@@H]1C[NH2+]CC12CC(C(=O)N[C@@H](CCC[NH3+])c1ccccc1)C2	ZINC000884337090	598073364	/nfs/dbraw/zinc/07/33/64/598073364.db2.gz	CXNNHPHJCWWJOM-ISXWCOSWSA-N	2	0	326.444	1.722	20	30		EDEDRP
C#CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C34CCC[NH+](CCC3)C4)C[C@@H]21	ZINC000992729102	695249766	/nfs/dbraw/zinc/24/97/66/695249766.db2.gz	OLUJHYRHWWTUJH-FGTMMUONSA-N	2	0	329.488	1.712	20	30		EDEDRP
C=C(CC[NH+](C)C)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1	ZINC000918838020	697212472	/nfs/dbraw/zinc/21/24/72/697212472.db2.gz	BCRZKXMDKNPDQH-UHFFFAOYSA-N	2	0	330.476	1.563	20	30		EDEDRP
C=C(Br)C[NH2+][C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C	ZINC000939055258	699116070	/nfs/dbraw/zinc/11/60/70/699116070.db2.gz	WHRZOAZAXUVRDJ-BXUZGUMPSA-N	2	0	344.297	1.673	20	30		EDEDRP
C=CCC[NH+]1CC(N2CCN(C(=O)C[NH+]3CCC(C)CC3)CC2)C1	ZINC000941614572	701597029	/nfs/dbraw/zinc/59/70/29/701597029.db2.gz	DFLFHZJJZUFVSU-UHFFFAOYSA-N	2	0	334.508	1.123	20	30		EDEDRP
CC#CC[N@@H+]1CC[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C(C)(C)C1	ZINC000940751179	700889434	/nfs/dbraw/zinc/88/94/34/700889434.db2.gz	NBAABBDBQLGCMD-QGZVFWFLSA-N	2	0	345.491	1.298	20	30		EDEDRP
C#CCN1CC[NH+](C2CCC(NC(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)CC1	ZINC000996794599	703079187	/nfs/dbraw/zinc/07/91/87/703079187.db2.gz	AUBHXDFJHSBSIG-VIQWUECVSA-N	2	0	346.519	1.006	20	30		EDEDRP
C[NH+]1CCC(C(=O)N2CCC([NH2+]Cc3ccccc3C#N)CC2)CC1	ZINC000996946040	703214665	/nfs/dbraw/zinc/21/46/65/703214665.db2.gz	NJXFOWBTNPUPLC-UHFFFAOYSA-N	2	0	340.471	1.981	20	30		EDEDRP
CC#CC[NH+]1CCC([C@@H](C)NC(=O)c2cnn(CC[NH+](C)C)c2)CC1	ZINC000997348778	703576672	/nfs/dbraw/zinc/57/66/72/703576672.db2.gz	RHEQVOUWJDADJJ-MRXNPFEDSA-N	2	0	345.491	1.298	20	30		EDEDRP
C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]Cc2cccc(C#N)c2)C1	ZINC000998721560	706157007	/nfs/dbraw/zinc/15/70/07/706157007.db2.gz	MUGGWWQBXLUAPG-ZWKOTPCHSA-N	2	0	326.444	1.733	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)N(C)C2CC([NH2+]Cc3cc(C)no3)C2)CC1	ZINC000999871648	707515194	/nfs/dbraw/zinc/51/51/94/707515194.db2.gz	WXXIORSITNPXKA-UHFFFAOYSA-N	2	0	344.459	1.407	20	30		EDEDRP
C[NH+]1CCC(O)(C[NH2+]Cc2cc(C#N)ccc2Br)CC1	ZINC000921769397	708008414	/nfs/dbraw/zinc/00/84/14/708008414.db2.gz	JGWMHKXJHPGOQJ-UHFFFAOYSA-N	2	0	338.249	1.867	20	30		EDEDRP
CN(C(=O)[C@@H]1CC[NH+](C)C1)[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2)C1	ZINC001033662955	708479112	/nfs/dbraw/zinc/47/91/12/708479112.db2.gz	SZQXWJSOFLLVJK-QZTJIDSGSA-N	2	0	326.444	1.543	20	30		EDEDRP
CC#CC[NH+]1CCC(NC(=O)[C@@H]2CN(c3ccccn3)C[C@H]2C)CC1	ZINC001002849373	709458698	/nfs/dbraw/zinc/45/86/98/709458698.db2.gz	ROKAVVVRXLQNPW-SJLPKXTDSA-N	2	0	340.471	1.758	20	30		EDEDRP
C=CC[N@@H+]1CCCC[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCOCC2)C1	ZINC001034240078	709623333	/nfs/dbraw/zinc/62/33/33/709623333.db2.gz	GIRSTIDDCWPGST-FUHWJXTLSA-N	2	0	335.492	1.787	20	30		EDEDRP
C#CCN1CCC[C@H]1C(=O)NC1CC[NH+](CC[C@@H]2CCCO2)CC1	ZINC001003056845	709906807	/nfs/dbraw/zinc/90/68/07/709906807.db2.gz	UMSLUIYGEKPYHV-ROUUACIJSA-N	2	0	333.476	1.234	20	30		EDEDRP
C#CCN1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CC[C@@H]2CCCCO2)C1	ZINC001032837121	710187260	/nfs/dbraw/zinc/18/72/60/710187260.db2.gz	BPDUBVNSUIUOAY-SQNIBIBYSA-N	2	0	333.476	1.234	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)N[C@H]2CCCC[N@@H+](C[C@H](C)OC)C2)CC1	ZINC001034538362	710211100	/nfs/dbraw/zinc/21/11/00/710211100.db2.gz	MTOAJIDLHGGYCU-WMZOPIPTSA-N	2	0	335.492	1.337	20	30		EDEDRP
C[C@@H]1[C@H](C(=O)N2CCC[C@@H]2C[NH2+]Cc2cccc(C#N)c2)CC[N@@H+]1C	ZINC001034940014	711442995	/nfs/dbraw/zinc/44/29/95/711442995.db2.gz	RYJYLAFPVZKQSE-ATZDWAIDSA-N	2	0	340.471	1.979	20	30		EDEDRP
C=CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)CC1	ZINC001004616692	712076738	/nfs/dbraw/zinc/07/67/38/712076738.db2.gz	NCFIGZLZCJPBIB-PKOBYXMFSA-N	2	0	349.519	1.844	20	30		EDEDRP
CN(CC#CCN(C)[C@@H]1CC[N@@H+](C2CC2)C1)[C@@H]1CC[NH+](C2CC2)C1	ZINC000341883842	282337903	/nfs/dbraw/zinc/33/79/03/282337903.db2.gz	ORJQAIBKZZEJAE-WOJBJXKFSA-N	2	0	330.520	1.327	20	30		EDEDRP
C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC[C@H]2C[NH+](C)CCN2C)C1	ZINC000329218310	539419939	/nfs/dbraw/zinc/41/99/39/539419939.db2.gz	ADHXWDDCPIXJEE-CVEARBPZSA-N	2	0	339.528	1.246	20	30		EDEDRP
C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@H]1C[N@@H+]2CCN1CCC2)C(C)C	ZINC000343172362	250011693	/nfs/dbraw/zinc/01/16/93/250011693.db2.gz	SCXSGUIUUZOEEZ-ZWKOTPCHSA-N	2	0	334.508	1.191	20	30		EDEDRP
CCC[N@H+](CCN1CC[NH+](CC)CC1)[C@@H](C)C(=O)N(C)CCC#N	ZINC000344134383	250016427	/nfs/dbraw/zinc/01/64/27/250016427.db2.gz	RIJFZVTXUKZPEP-KRWDZBQOSA-N	2	0	337.512	1.096	20	30		EDEDRP
C#CCN(C)CCC[NH2+]C[C@H](O)Cn1cnc2cc(C)c(C)cc21	ZINC000491677618	255139716	/nfs/dbraw/zinc/13/97/16/255139716.db2.gz	QXWCWLBJWMPEBC-KRWDZBQOSA-N	3	0	328.460	1.559	20	30		EDEDRP
N#Cc1ccc(C[NH+]2CCC(NC[C@H](O)C[NH+]3CCCC3)CC2)cc1	ZINC000271890437	140367862	/nfs/dbraw/zinc/36/78/62/140367862.db2.gz	RXBWOOOVWXXXPV-FQEVSTJZSA-N	2	0	342.487	1.569	20	30		EDEDRP
N#Cc1ccc(C[N@@H+]2CCCN(CC[NH+]3CCCOCC3)CC2)cc1	ZINC000429727686	268218366	/nfs/dbraw/zinc/21/83/66/268218366.db2.gz	XBHAOZHSCLHTDF-UHFFFAOYSA-N	2	0	342.487	1.788	20	30		EDEDRP
C=CCN1CC[C@H]([NH+]2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)C1=O	ZINC000337141269	277860234	/nfs/dbraw/zinc/86/02/34/277860234.db2.gz	RYDBHIUAYFQMOO-NUJGCVRESA-N	2	0	335.492	1.595	20	30		EDEDRP
Cc1nccn1CCCN(C)CCS(=O)(=O)c1cccc(C#N)c1	ZINC000130909301	442359654	/nfs/dbraw/zinc/35/96/54/442359654.db2.gz	JDLREPJJHOROLL-UHFFFAOYSA-N	2	0	346.456	1.859	20	30		EDEDRP
CC#CCCCC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1	ZINC000274291563	443601771	/nfs/dbraw/zinc/60/17/71/443601771.db2.gz	OOCUMCBFOYKVND-UHFFFAOYSA-N	2	0	328.460	1.904	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)NCc2ccc(CC[NH+](C)C)cc2)CC1	ZINC000276225858	443671162	/nfs/dbraw/zinc/67/11/62/443671162.db2.gz	JORUMOLCCFJJSS-UHFFFAOYSA-N	2	0	327.472	1.752	20	30		EDEDRP
CCN1CCO[C@@H](CNC(=[NH2+])N2CCOCC2)[C@@H]1c1ccccc1	ZINC000285210494	443896063	/nfs/dbraw/zinc/89/60/63/443896063.db2.gz	WQMPIEBURPVPBY-IRXDYDNUSA-N	2	0	332.448	1.095	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)NC[C@@H](c2cccc(OC)c2)[NH+](C)C)CC1	ZINC000299150772	443968092	/nfs/dbraw/zinc/96/80/92/443968092.db2.gz	MAQXDQRUXBHLIZ-IBGZPJMESA-N	2	0	343.471	1.759	20	30		EDEDRP
C[N@@H+]1CCN(CCNC(=[NH2+])Nc2ccc3c(c2)CCC3)CC1(C)C	ZINC000281656867	443971767	/nfs/dbraw/zinc/97/17/67/443971767.db2.gz	CAXGXRKTRFMVLM-UHFFFAOYSA-N	2	0	329.492	1.928	20	30		EDEDRP
C[NH+]1CCC(Nc2ccc(C#N)c(NC3CC[NH+](C)CC3)n2)CC1	ZINC000278340045	444143101	/nfs/dbraw/zinc/14/31/01/444143101.db2.gz	IYESKTULBFPVKA-UHFFFAOYSA-N	2	0	328.464	1.965	20	30		EDEDRP
CCOC(=O)N1CCC(NC(=[NH2+])NC[C@@H]2CCCC[N@@H+]2CC)CC1	ZINC000304754917	444252707	/nfs/dbraw/zinc/25/27/07/444252707.db2.gz	MILDCGYJJQIPOX-HNNXBMFYSA-N	2	0	339.484	1.386	20	30		EDEDRP
N#Cc1cccc(C[N@H+]2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)c1	ZINC000325808323	444369418	/nfs/dbraw/zinc/36/94/18/444369418.db2.gz	OWSBAAKBNPENLZ-ROUUACIJSA-N	2	0	326.444	1.638	20	30		EDEDRP
Cn1cc(C[NH2+]CCOCC[NH+](C)C)c(-c2ccc(C#N)cc2)n1	ZINC000354208169	446003245	/nfs/dbraw/zinc/00/32/45/446003245.db2.gz	VIEWQGSCDNJXAK-UHFFFAOYSA-N	2	0	327.432	1.627	20	30		EDEDRP
C(#CC[N@@H+]1CC[C@@H]2OCCC[C@@H]2C1)C[NH+]1CC[C@H]2OCCC[C@@H]2C1	ZINC000367465145	446551132	/nfs/dbraw/zinc/55/11/32/446551132.db2.gz	YIERZEKWYSGNSR-WTGUMLROSA-N	2	0	332.488	1.992	20	30		EDEDRP
C=CC[NH+]1CCC(NC(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)CC1	ZINC000433334397	446556591	/nfs/dbraw/zinc/55/65/91/446556591.db2.gz	HKWQSFPMFZETNN-MRXNPFEDSA-N	2	0	338.496	1.437	20	30		EDEDRP
C=CCCn1cc(C(=O)N(CC[NH+](C)C)C[C@H]2CCC[N@H+]2CC)nn1	ZINC000424638176	446914845	/nfs/dbraw/zinc/91/48/45/446914845.db2.gz	KSNHLDFTXSGKSV-MRXNPFEDSA-N	2	0	348.495	1.342	20	30		EDEDRP
CC[NH+]1CCC(N2CCC[N@H+](Cc3cc(C#N)n(C)c3)CC2)CC1	ZINC000421366066	447143561	/nfs/dbraw/zinc/14/35/61/447143561.db2.gz	CGCMZVIEMTXUDZ-UHFFFAOYSA-N	2	0	329.492	1.889	20	30		EDEDRP
Cc1cc[nH+]c(NC[C@@H]2CC[N@@H+]([C@@H](C)C(=O)N(C)CCC#N)C2)c1	ZINC000377492866	447162488	/nfs/dbraw/zinc/16/24/88/447162488.db2.gz	XLUWKQOUIFZJFX-HOTGVXAUSA-N	2	0	329.448	1.884	20	30		EDEDRP
CC(C)[C@]1(CO)CC[NH+](CC#CC[N@H+]2CC[C@@](CO)(C(C)C)C2)C1	ZINC000377648281	447269838	/nfs/dbraw/zinc/26/98/38/447269838.db2.gz	GHQDNDXUQBDDIM-WOJBJXKFSA-N	2	0	336.520	1.671	20	30		EDEDRP
C[NH+](C)CCNC(=O)c1ccc(C[NH2+]Cc2cccc(C#N)n2)cc1	ZINC000602593965	449692692	/nfs/dbraw/zinc/69/26/92/449692692.db2.gz	MQCYFDSOIYWQKI-UHFFFAOYSA-N	2	0	337.427	1.534	20	30		EDEDRP
COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)[C@H]([NH3+])CCCC#N)cc1F	ZINC000595256659	449980057	/nfs/dbraw/zinc/98/00/57/449980057.db2.gz	QAZJOHRARSTNNR-IMJJTQAJSA-N	2	0	348.422	1.417	20	30		EDEDRP
C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1	ZINC000644935828	452074162	/nfs/dbraw/zinc/07/41/62/452074162.db2.gz	INIVHWBADMAOEH-ZOBUZTSGSA-N	2	0	336.480	1.045	20	30		EDEDRP
CCN(CC)C(=[NH2+])NCCCN1CC[NH+](Cc2ccccc2)CC1	ZINC000104169447	527980929	/nfs/dbraw/zinc/98/09/29/527980929.db2.gz	GHEHBAAQMSYFQI-UHFFFAOYSA-N	2	0	331.508	1.851	20	30		EDEDRP
C#CC[NH+]1CCC(Nc2cc(N3CC[C@H]([C@@H](C)O)C3)ncn2)CC1	ZINC000895812192	591278542	/nfs/dbraw/zinc/27/85/42/591278542.db2.gz	NZQBQSGAAIEHCK-CABCVRRESA-N	2	0	329.448	1.193	20	30		EDEDRP
C=CCOc1cccc(C[N@H+]2C[C@@H]3C[C@@H]([NH3+])C[C@]3(C(=O)OC)C2)c1	ZINC000903979173	592400576	/nfs/dbraw/zinc/40/05/76/592400576.db2.gz	XNWAZFVYRIJRKU-FCEWJHQRSA-N	2	0	330.428	1.964	20	30		EDEDRP
CC(C)(C)[NH+]=C(NC[C@@H]1CCCO1)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1	ZINC000912508506	593101357	/nfs/dbraw/zinc/10/13/57/593101357.db2.gz	PMUQBPCXRRSROE-HRCADAONSA-N	2	0	338.496	1.362	20	30		EDEDRP
COCC[N@@H+]1CCC[C@@H]1CNC(NC[C@H]1CCCO1)=[NH+]C(C)(C)C	ZINC000912508975	593101522	/nfs/dbraw/zinc/10/15/22/593101522.db2.gz	UGKURBJWXGJHRV-HZPDHXFCSA-N	2	0	340.512	1.610	20	30		EDEDRP
C[NH+]1CCC(N2CC[C@@H]([NH2+]C[C@H](O)c3ccc(C#N)cc3)C2)CC1	ZINC000819052812	593735867	/nfs/dbraw/zinc/73/58/67/593735867.db2.gz	FAWCMNYSRIQGLL-MJGOQNOKSA-N	2	0	328.460	1.350	20	30		EDEDRP
N#Cc1ccc([C@@H](O)C[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)cc1	ZINC000819083967	593737855	/nfs/dbraw/zinc/73/78/55/593737855.db2.gz	IYEKUWZXXFNQDS-LPHOPBHVSA-N	2	0	329.444	1.682	20	30		EDEDRP
C[C@@H](CN1CC[NH+](C)CC1)[NH2+]Cc1ccc(N(C)CCC#N)cc1	ZINC000106483967	595310355	/nfs/dbraw/zinc/31/03/55/595310355.db2.gz	ASTBKAXMPWSFLL-KRWDZBQOSA-N	2	0	329.492	1.762	20	30		EDEDRP
CC[NH+](CC)[C@H](CNC(NCCN1CCOCC1)=[NH+]C)CC(C)C	ZINC000849054851	595476053	/nfs/dbraw/zinc/47/60/53/595476053.db2.gz	VOKAPNPCLZCPRQ-KRWDZBQOSA-N	2	0	341.544	1.240	20	30		EDEDRP
C=CC[NH+]1CCC(NC(=O)[C@@H]2CC[N@@H+](C)C[C@H]2c2cnn(C)c2)CC1	ZINC000849522107	595558311	/nfs/dbraw/zinc/55/83/11/595558311.db2.gz	JJIROEXYIIKPLW-MSOLQXFVSA-N	2	0	345.491	1.222	20	30		EDEDRP
C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)C#CC2CC[NH2+]CC2)CC1	ZINC000852863668	595584249	/nfs/dbraw/zinc/58/42/49/595584249.db2.gz	QPRXICOMXDGBQN-QZTJIDSGSA-N	2	0	346.519	1.006	20	30		EDEDRP
C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21	ZINC000867975829	596641131	/nfs/dbraw/zinc/64/11/31/596641131.db2.gz	AYMNLTDBVGNFAG-AUUYWEPGSA-N	2	0	340.471	1.934	20	30		EDEDRP
C[NH+](C)C[C@@H]1CN(C(=O)c2cc(C#N)ccc2F)C[C@H]1C[NH+](C)C	ZINC000870018182	596710331	/nfs/dbraw/zinc/71/03/31/596710331.db2.gz	XQZAPBOUKOCPKZ-HUUCEWRRSA-N	2	0	332.423	1.509	20	30		EDEDRP
C[NH+](C)C[C@@H]1CN(C(=O)c2ccc(C#N)c(O)c2)C[C@H]1C[NH+](C)C	ZINC000870019270	596710806	/nfs/dbraw/zinc/71/08/06/596710806.db2.gz	BSDKOHXKLATRNB-HZPDHXFCSA-N	2	0	330.432	1.075	20	30		EDEDRP
C[NH+](C)C[C@@H]1CN(C(=O)c2ccc(CC#N)cc2)C[C@H]1C[NH+](C)C	ZINC000870022395	596712437	/nfs/dbraw/zinc/71/24/37/596712437.db2.gz	RCBISXCDYRQYQL-QZTJIDSGSA-N	2	0	328.460	1.564	20	30		EDEDRP
C[NH+](C)C[C@@H]1CN(c2nc(Cl)c(C#N)s2)C[C@H]1C[NH+](C)C	ZINC000866011287	596756921	/nfs/dbraw/zinc/75/69/21/596756921.db2.gz	BXOPUSGFIYUTPW-GHMZBOCLSA-N	2	0	327.885	1.844	20	30		EDEDRP
C[NH+](C)[C@@]1(CNC(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)CCSC1	ZINC000876727015	597308393	/nfs/dbraw/zinc/30/83/93/597308393.db2.gz	UFFSIVLEKITGCT-FUHWJXTLSA-N	2	0	344.484	1.299	20	30		EDEDRP
CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21	ZINC000876728824	597310164	/nfs/dbraw/zinc/31/01/64/597310164.db2.gz	WZJVOPYQCOKNSC-CRAIPNDOSA-N	2	0	326.444	1.545	20	30		EDEDRP
C=C(Cl)C[C@H]([NH3+])C(=O)NCCc1ccc(OCC[NH+](C)C)cc1	ZINC000876754759	597322699	/nfs/dbraw/zinc/32/26/99/597322699.db2.gz	PLWYXKNYSLGIOO-INIZCTEOSA-N	2	0	339.867	1.756	20	30		EDEDRP
C=CC[NH+]1CCC(NC(=O)c2c(C)cnn2[C@@H]2CCC[NH2+]C2)CC1	ZINC000876756172	597324613	/nfs/dbraw/zinc/32/46/13/597324613.db2.gz	PPTLPASQZLSFOA-MRXNPFEDSA-N	2	0	331.464	1.496	20	30		EDEDRP
CCC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)C1	ZINC000876777267	597336043	/nfs/dbraw/zinc/33/60/43/597336043.db2.gz	OSUKWIWVLSGFSR-VQIMIIECSA-N	2	0	340.471	1.935	20	30		EDEDRP
CC(C)[NH+]1CCC(NC(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)CC1	ZINC000876872677	597363920	/nfs/dbraw/zinc/36/39/20/597363920.db2.gz	JVDMBZSBUJUPDK-GOSISDBHSA-N	2	0	326.444	1.734	20	30		EDEDRP
N#Cc1cc(C[NH2+][C@@H](CO)C2CC2)cc(C[NH2+][C@H](CO)C2CC2)c1	ZINC000878419064	597600594	/nfs/dbraw/zinc/60/05/94/597600594.db2.gz	DPZZZYZWYRIDCP-KDURUIRLSA-N	2	0	329.444	1.279	20	30		EDEDRP
C#CCOc1ccc([C@@H](C)[NH2+]CCC[N@@H+]2CCC[C@H](C(N)=O)C2)cc1	ZINC000128029497	597730136	/nfs/dbraw/zinc/73/01/36/597730136.db2.gz	IKJYFECXKBTFQZ-AEFFLSMTSA-N	2	0	343.471	1.937	20	30		EDEDRP
N#C[C@@H]1C[NH2+]CC12CC(C(=O)NCC[N@@H+]1CCc3ccccc3C1)C2	ZINC000884189162	598020381	/nfs/dbraw/zinc/02/03/81/598020381.db2.gz	XOOFZVDXIXXKFV-QPIRBTGLSA-N	2	0	338.455	1.300	20	30		EDEDRP
C#CCN(C(=O)NC[C@H](C)[NH+]1CCC(C)CC1)C1CC[NH+](C)CC1	ZINC000915078298	695734936	/nfs/dbraw/zinc/73/49/36/695734936.db2.gz	HQNZPVGJDAWMFH-KRWDZBQOSA-N	2	0	334.508	1.846	20	30		EDEDRP
C#CCC[N@H+]1CCC[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@@H]1C	ZINC000993371140	696022018	/nfs/dbraw/zinc/02/20/18/696022018.db2.gz	YPJUBPCKZNBFTN-HOTGVXAUSA-N	2	0	331.464	1.051	20	30		EDEDRP
C=C(C)C[NH+]1CCC(NC(=O)NC[C@@H](C[NH+](C)C)OCC)CC1	ZINC000917097591	696920806	/nfs/dbraw/zinc/92/08/06/696920806.db2.gz	BZVSXHSUMFKABW-INIZCTEOSA-N	2	0	326.485	1.293	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ocnc3C)C2)CC1	ZINC000939807867	699956765	/nfs/dbraw/zinc/95/67/65/699956765.db2.gz	AQBYIRDVDIULDD-RHSMWYFYSA-N	2	0	344.459	1.265	20	30		EDEDRP
C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCC1C[NH+](Cc2ccc(C#N)cc2)C1	ZINC001031978242	701994319	/nfs/dbraw/zinc/99/43/19/701994319.db2.gz	QVSUUKOYKAZLPX-KDOFPFPSSA-N	2	0	326.444	1.304	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)NCC2C[NH+](Cc3cccc(C)c3)C2)CC1	ZINC001032205015	702114400	/nfs/dbraw/zinc/11/44/00/702114400.db2.gz	MCERCUROHWSUPM-UHFFFAOYSA-N	2	0	339.483	1.888	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)NCC2C[NH+](CCC3CCCC3)C2)CC1	ZINC001032207141	702175716	/nfs/dbraw/zinc/17/57/16/702175716.db2.gz	FNKPHBVQVKESKH-UHFFFAOYSA-N	2	0	331.504	1.960	20	30		EDEDRP
C=CC[NH2+][C@H]1CN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)CC1(C)C	ZINC000996043352	702459426	/nfs/dbraw/zinc/45/94/26/702459426.db2.gz	UBMGMXNTFOEUHG-INIZCTEOSA-N	2	0	325.416	1.894	20	30		EDEDRP
C=C(Br)C[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1(C)C	ZINC000996611006	702915981	/nfs/dbraw/zinc/91/59/81/702915981.db2.gz	LZBHOISUNOQYGC-QWHCGFSZSA-N	2	0	344.297	1.673	20	30		EDEDRP
N#Cc1ccc(C[NH2+]C2CCN(C(=O)C[NH+]3CCCC3)CC2)c(F)c1	ZINC000997307427	703565639	/nfs/dbraw/zinc/56/56/39/703565639.db2.gz	QUELTXXLEVWOMC-UHFFFAOYSA-N	2	0	344.434	1.874	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)N2CCC([NH2+]Cc3cccnc3)CC2)CC1	ZINC000997364250	703597542	/nfs/dbraw/zinc/59/75/42/703597542.db2.gz	JJHJXRUUCBSHSV-UHFFFAOYSA-N	2	0	340.471	1.507	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)N2CCC([NH2+]C[C@H]3CCCOC3)CC2)CC1	ZINC000997365848	703599424	/nfs/dbraw/zinc/59/94/24/703599424.db2.gz	VPXDNSFUPXMEIB-QGZVFWFLSA-N	2	0	347.503	1.339	20	30		EDEDRP
C[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]Cc2ccccc2C#N)C(C)(C)C1	ZINC000995553827	703966109	/nfs/dbraw/zinc/96/61/09/703966109.db2.gz	UGJGHKGCZSMGIS-ZWKOTPCHSA-N	2	0	340.471	1.979	20	30		EDEDRP
C=C(Cl)CN1CC[C@H](N(C)C(=O)c2ccn(CC[NH+](C)C)n2)C1	ZINC001033085359	704149001	/nfs/dbraw/zinc/14/90/01/704149001.db2.gz	SWROUYJNQISSBF-AWEZNQCLSA-N	2	0	339.871	1.344	20	30		EDEDRP
C=CC[NH2+][C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)CC[C@@H]1C(F)(F)F	ZINC000998305747	705709640	/nfs/dbraw/zinc/70/96/40/705709640.db2.gz	SHNVGDHDOYEOEW-QWHCGFSZSA-N	2	0	331.382	1.637	20	30		EDEDRP
C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]Cc2ccccc2C#N)C1	ZINC000998718524	706150272	/nfs/dbraw/zinc/15/02/72/706150272.db2.gz	CDJJPAXAPBQWPB-ZWKOTPCHSA-N	2	0	326.444	1.733	20	30		EDEDRP
C[C@H]1CC[N@H+](CC(=O)N(C)C2CC([NH2+]Cc3ccc(C#N)cc3)C2)C1	ZINC000999409832	706919791	/nfs/dbraw/zinc/91/97/91/706919791.db2.gz	TZKCPIPFQRTMLO-MNNVXMFVSA-N	2	0	340.471	1.979	20	30		EDEDRP
C=CCC[N@H+]1CC[C@@H](N(C)C(=O)c2ccn(-c3cc[nH+]cc3)n2)C1	ZINC001033254306	707241633	/nfs/dbraw/zinc/24/16/33/707241633.db2.gz	BJSWFXFWLUVNFQ-MRXNPFEDSA-N	2	0	325.416	1.990	20	30		EDEDRP
CN(C(=O)C[NH+]1CCCC1)[C@H]1CC[N@H+](Cc2cccc(C#N)c2)C1	ZINC001033666824	708452961	/nfs/dbraw/zinc/45/29/61/708452961.db2.gz	ZWWZHBVNBDGQLA-SFHVURJKSA-N	2	0	326.444	1.687	20	30		EDEDRP
C#CCC[N@H+]1CCCC[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1	ZINC001034435918	710009743	/nfs/dbraw/zinc/00/97/43/710009743.db2.gz	MVQIHSWSNXSGRQ-KRWDZBQOSA-N	2	0	331.464	1.052	20	30		EDEDRP
CN1CC[N@H+](C)C[C@H]1CNC(=O)NCC1([NH+](C)C)CCCCC1	ZINC000329484521	539438732	/nfs/dbraw/zinc/43/87/32/539438732.db2.gz	QMUZCQQPSRIMRW-OAHLLOKOSA-N	2	0	325.501	1.000	20	30		EDEDRP
CC[NH+]1CCN(Cc2ccccc2CNC(=[NH2+])NCC(C)C)CC1	ZINC000264099033	249336106	/nfs/dbraw/zinc/33/61/06/249336106.db2.gz	NPPKNIQVUDYADC-UHFFFAOYSA-N	2	0	331.508	1.884	20	30		EDEDRP
N#Cc1ccc(C[N@H+]2CCCN(C(=O)N[C@@H](C[NH3+])C3CC3)CC2)cc1	ZINC000418405382	251365114	/nfs/dbraw/zinc/36/51/14/251365114.db2.gz	RAYBOGFLFMNAQS-SFHVURJKSA-N	2	0	341.459	1.513	20	30		EDEDRP
CN(C(=O)[C@H]([NH3+])CCCC#N)C1CC[NH+](CCc2ccccn2)CC1	ZINC000424163693	252151673	/nfs/dbraw/zinc/15/16/73/252151673.db2.gz	XWWCCLXFTFSNJT-GOSISDBHSA-N	2	0	343.475	1.568	20	30		EDEDRP
N#Cc1ncn(CC[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)n1	ZINC000367520756	154158707	/nfs/dbraw/zinc/15/87/07/154158707.db2.gz	YPDGBIDJCFHKBV-FGTMMUONSA-N	2	0	336.443	1.650	20	30		EDEDRP
C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CCC[C@H](CN2CC[NH+](C)CC2)C1	ZINC000378431807	447427410	/nfs/dbraw/zinc/42/74/10/447427410.db2.gz	OUHIXTSCTMBQEH-RBUKOAKNSA-N	2	0	348.535	1.535	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)NCc2ccc(OCC[NH+](C)C)cc2)CC1	ZINC000057174356	441096459	/nfs/dbraw/zinc/09/64/59/441096459.db2.gz	IJOUXIHPVKIXIR-UHFFFAOYSA-N	2	0	343.471	1.588	20	30		EDEDRP
[NH2+]=C(NCCCC[NH+]1CCOCC1)N[C@H]1CCOc2ccccc21	ZINC000083031808	441347710	/nfs/dbraw/zinc/34/77/10/441347710.db2.gz	LKZSZPKNVBAUIV-INIZCTEOSA-N	2	0	332.448	1.527	20	30		EDEDRP
C[NH+]=C(NCc1nccn1C(F)F)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C	ZINC000158407187	441734756	/nfs/dbraw/zinc/73/47/56/441734756.db2.gz	JPKKJGOGFSGKRH-RYUDHWBXSA-N	2	0	328.411	1.672	20	30		EDEDRP
C[C@@H](NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1ccc(C#N)cc1	ZINC000077777746	441858890	/nfs/dbraw/zinc/85/88/90/441858890.db2.gz	IIVQKGGFLWRFGU-OAHLLOKOSA-N	2	0	331.464	1.754	20	30		EDEDRP
CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCOCc1ccc(OC)cc1	ZINC000092854074	441834904	/nfs/dbraw/zinc/83/49/04/441834904.db2.gz	NSMFRBXTVUCCIK-INIZCTEOSA-N	2	0	334.464	1.600	20	30		EDEDRP
CCN1CC[NH+](C[C@@H](C)CNC(=[NH2+])NCc2ccccc2OC)CC1	ZINC000170906972	442286776	/nfs/dbraw/zinc/28/67/76/442286776.db2.gz	LYUNUZVKKIVXNK-INIZCTEOSA-N	2	0	347.507	1.373	20	30		EDEDRP
CCOCCCNC(=[NH2+])NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1	ZINC000190537130	443130714	/nfs/dbraw/zinc/13/07/14/443130714.db2.gz	IUWRKWSVSKXHOB-GOSISDBHSA-N	2	0	348.491	1.608	20	30		EDEDRP
C[NH+]=C(NC[C@]1(O)CCc2ccccc21)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C	ZINC000262005246	443179340	/nfs/dbraw/zinc/17/93/40/443179340.db2.gz	VLKKWEFKLPZRCH-XFQXTVEOSA-N	2	0	344.503	1.714	20	30		EDEDRP
CC[NH+]=C(NC[C@@H](O)c1ccc(F)cc1)N1CC[C@@H]([NH+]2CC=CC2)C1	ZINC000262815931	443213706	/nfs/dbraw/zinc/21/37/06/443213706.db2.gz	WNJADTTWXJUHSA-QZTJIDSGSA-N	2	0	346.450	1.771	20	30		EDEDRP
Cc1cc(C)cc(NC(=[NH2+])NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)c1	ZINC000264311794	443260056	/nfs/dbraw/zinc/26/00/56/443260056.db2.gz	VDBIGEPMYQIXID-KRWDZBQOSA-N	2	0	345.491	1.973	20	30		EDEDRP
C[N@@H+]1CCC[C@H](CC[NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)C1	ZINC000567694176	321253535	/nfs/dbraw/zinc/25/35/35/321253535.db2.gz	KHJRVDRVDAVTHA-CQSZACIVSA-N	2	0	336.461	1.048	20	30		EDEDRP
CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCCCNC(=O)OC(C)(C)C	ZINC000305805216	444281281	/nfs/dbraw/zinc/28/12/81/444281281.db2.gz	GCLGOHDPELTBML-AWEZNQCLSA-N	2	0	341.500	1.680	20	30		EDEDRP
C[C@H]1C[N@@H+](C2CCOCC2)CCN1C([O-])=[NH+][C@H]1CCc2nc[nH]c2C1	ZINC000329704243	444686275	/nfs/dbraw/zinc/68/62/75/444686275.db2.gz	IRLDRIXIPHMHBN-KBPBESRZSA-N	2	0	347.463	1.366	20	30		EDEDRP
C=CCOc1ccc(C[N@@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)cc1	ZINC000347222822	445234473	/nfs/dbraw/zinc/23/44/73/445234473.db2.gz	UHTSLKLQHFNEIE-GOSISDBHSA-N	2	0	343.471	1.895	20	30		EDEDRP
C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH+]1CCC(O)(C[NH3+])CC1	ZINC000420405264	446578834	/nfs/dbraw/zinc/57/88/34/446578834.db2.gz	OSEDPPMYHOOVAE-AWEZNQCLSA-N	2	0	337.489	1.437	20	30		EDEDRP
C[C@@H]1CN(C(=O)c2cccc(C#N)c2)CCN1C1CC[NH+](C)CC1	ZINC000375783773	447043849	/nfs/dbraw/zinc/04/38/49/447043849.db2.gz	AESNYTPSFCRPCI-OAHLLOKOSA-N	2	0	326.444	1.799	20	30		EDEDRP
C=C(C)C[NH+]1CCC(NC(=O)NCCN2C[C@H]3CC[C@@H](C2)O3)CC1	ZINC000515212839	448276588	/nfs/dbraw/zinc/27/65/88/448276588.db2.gz	IGSDLEAWARCQJD-CALCHBBNSA-N	2	0	336.480	1.189	20	30		EDEDRP
C[NH+](C)C1CCC([NH2+]C[C@H](O)COc2ccc(CC#N)cc2)CC1	ZINC000567692704	448738794	/nfs/dbraw/zinc/73/87/94/448738794.db2.gz	AQYQVROUFXHPBV-ABHNRTSZSA-N	2	0	331.460	1.955	20	30		EDEDRP
C[NH2+]CCCNC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000593710163	449155074	/nfs/dbraw/zinc/15/50/74/449155074.db2.gz	CPZKLOACINCKJA-UHFFFAOYSA-N	2	0	329.448	1.431	20	30		EDEDRP
N#Cc1cccc(C[NH+]2CCC(NC(=O)N[C@@H]3CCC[NH2+]C3)CC2)c1	ZINC000593712064	449156457	/nfs/dbraw/zinc/15/64/57/449156457.db2.gz	ICEIUFZOICHYHY-GOSISDBHSA-N	2	0	341.459	1.574	20	30		EDEDRP
C[C@@H]1C[N@H+](CCC[NH2+]C[C@H](O)CC2(C#N)CCOCC2)CCCO1	ZINC000600736346	449525857	/nfs/dbraw/zinc/52/58/57/449525857.db2.gz	XUYYHCAPVJVVLB-IAGOWNOFSA-N	2	0	339.480	1.148	20	30		EDEDRP
N#CC1(C[C@H](O)C[NH2+][C@H]2CCN(Cc3ccccc3)C[C@@H]2CO)CC1	ZINC000600746815	449531222	/nfs/dbraw/zinc/53/12/22/449531222.db2.gz	XOXBGXHVRYCAOC-QYZOEREBSA-N	2	0	343.471	1.514	20	30		EDEDRP
C[NH+]1CCN(c2ccc(NC(=O)[C@@H]([NH3+])CCCCC#N)nc2)CC1	ZINC000594464327	449533429	/nfs/dbraw/zinc/53/34/29/449533429.db2.gz	NCLPCPIFDLCWCF-HNNXBMFYSA-N	2	0	330.436	1.183	20	30		EDEDRP
C[NH+]1CCC(C[NH2+]C[C@H](O)CC2(C#N)CC2)(N2CCCCC2)CC1	ZINC000600724196	449517745	/nfs/dbraw/zinc/51/77/45/449517745.db2.gz	MZOGRDYMUXNXBK-QGZVFWFLSA-N	2	0	334.508	1.581	20	30		EDEDRP
CC#CC[C@@H](CO)[NH2+]Cc1c(Cl)cccc1N1CC[NH+](C)CC1	ZINC000641767397	452242578	/nfs/dbraw/zinc/24/25/78/452242578.db2.gz	KDDMNCCUCAGQGP-HNNXBMFYSA-N	2	0	335.879	1.956	20	30		EDEDRP
C#CCN1CCC[C@H]1C(=O)N1CCN(C/C=C\c2ccccc2)CC1	ZINC000730270544	578638007	/nfs/dbraw/zinc/63/80/07/578638007.db2.gz	FQDUHCNQLUXPSU-GFWYJJLOSA-N	2	0	337.467	1.942	20	30		EDEDRP
Cc1nccn1-c1ccc(C[NH2+]C[C@H]2CNc3c(C#N)cnn3C2)cn1	ZINC000731151107	578668691	/nfs/dbraw/zinc/66/86/91/578668691.db2.gz	KSQXRPOPSUZKLX-HNNXBMFYSA-N	2	0	348.414	1.475	20	30		EDEDRP
C=C(C[NH+](C)C)C(=O)N[C@@H](C)C[NH+]1CCN(c2ccccc2)CC1	ZINC000764569031	580123570	/nfs/dbraw/zinc/12/35/70/580123570.db2.gz	DHPQVNKBPJNWFZ-KRWDZBQOSA-N	2	0	330.476	1.431	20	30		EDEDRP
O=C(NCC[NH2+]C1CC[NH+](C2CCCCC2)CC1)C1N=CC=CC1=O	ZINC000772985872	580324851	/nfs/dbraw/zinc/32/48/51/580324851.db2.gz	UPZDAAOKZJXRBZ-VHEBQXMUSA-N	2	0	346.475	1.900	20	30		EDEDRP
C[C@@H]1C[C@@H]([NH3+])CN1C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000892233157	590876775	/nfs/dbraw/zinc/87/67/75/590876775.db2.gz	SXNQLABRYXIQTG-RHSMWYFYSA-N	2	0	341.459	1.654	20	30		EDEDRP
C#CCN1CCC[C@H]([NH2+]C[C@]2(O)CCN(Cc3ccccc3)C2)C1	ZINC000905460852	592541439	/nfs/dbraw/zinc/54/14/39/592541439.db2.gz	OBCVYYGXBWSOMH-VQTJNVASSA-N	2	0	327.472	1.311	20	30		EDEDRP
Cc1nnc(N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)c(C#N)c1C	ZINC000905703570	592616276	/nfs/dbraw/zinc/61/62/76/592616276.db2.gz	MLTKVPGTKJEMEX-IYBDPMFKSA-N	2	0	326.448	1.370	20	30		EDEDRP
C#CCN1CCN(C(=O)CN(C)[C@@H](CC)c2ccccc2OC)CC1	ZINC000805835640	593153081	/nfs/dbraw/zinc/15/30/81/593153081.db2.gz	PNNDMEJVWDQKHQ-SFHVURJKSA-N	2	0	343.471	1.856	20	30		EDEDRP
CC[NH+]1CCN(c2cccc(NC(=O)N[C@@H]3C[NH2+]C[C@@H]3C#N)c2)CC1	ZINC000841194567	594866621	/nfs/dbraw/zinc/86/66/21/594866621.db2.gz	MTUUASCRQWSIDG-WMLDXEAASA-N	2	0	342.447	1.062	20	30		EDEDRP
N#Cc1cccc(C[NH+]2CCC(NC(=O)C=C3CC[NH2+]CC3)CC2)c1	ZINC000852896435	595603504	/nfs/dbraw/zinc/60/35/04/595603504.db2.gz	AGDOXKZMHSIKBT-UHFFFAOYSA-N	2	0	338.455	1.949	20	30		EDEDRP
C[C@@H]1C[C@@H](N(C)C(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)CC[N@@H+]1C	ZINC000867947085	596629205	/nfs/dbraw/zinc/62/92/05/596629205.db2.gz	YPWUMXWARMCYQA-SKDZVZGDSA-N	2	0	326.444	1.686	20	30		EDEDRP
CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21	ZINC000876728826	597309888	/nfs/dbraw/zinc/30/98/88/597309888.db2.gz	WZJVOPYQCOKNSC-QAPCUYQASA-N	2	0	326.444	1.545	20	30		EDEDRP
N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)NC1CC([NH+]2CCCCC2)C1	ZINC000876885114	597368867	/nfs/dbraw/zinc/36/88/67/597368867.db2.gz	VKNPSOFLGQOVLM-FAFZWHIHSA-N	2	0	338.455	1.878	20	30		EDEDRP
C#CCOc1ccc(CN2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)cc1	ZINC000877669524	597546435	/nfs/dbraw/zinc/54/64/35/597546435.db2.gz	NFKBOQQTWPJPEP-RTBURBONSA-N	2	0	329.488	1.870	20	30		EDEDRP
C=C(C)CC[NH+]1CC(N2CCN(C(=O)C[N@H+]3CC[C@H](C)C3)CC2)C1	ZINC000941566707	701585380	/nfs/dbraw/zinc/58/53/80/701585380.db2.gz	KMGVYOOQVZEAQU-KRWDZBQOSA-N	2	0	334.508	1.123	20	30		EDEDRP
C=CCC[NH+]1CC(N2CCN(C(=O)[C@H]3CCC[C@H]([NH+](C)C)C3)CC2)C1	ZINC000941636689	701602132	/nfs/dbraw/zinc/60/21/32/701602132.db2.gz	UAGWURIWJVKZNW-ROUUACIJSA-N	2	0	348.535	1.511	20	30		EDEDRP
C=C(Br)C[NH2+][C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1C	ZINC000939757383	699924358	/nfs/dbraw/zinc/92/43/58/699924358.db2.gz	YBZQFRAHWISYQB-AAEUAGOBSA-N	2	0	330.270	1.427	20	30		EDEDRP
C=C(C)CN1CC(N2CCN(C(=O)[C@H]3CCC[N@H+]3CCC)CC2)C1	ZINC000941431947	701538305	/nfs/dbraw/zinc/53/83/05/701538305.db2.gz	XJXFDALXWZKNFL-GOSISDBHSA-N	2	0	334.508	1.265	20	30		EDEDRP
C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCC1CN(Cc2ccc(C#N)s2)C1	ZINC001031978034	701984179	/nfs/dbraw/zinc/98/41/79/701984179.db2.gz	MRTKVVXDURMLRW-LRDDRELGSA-N	2	0	332.473	1.365	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)NCC2C[NH+](CCc3cccs3)C2)CC1	ZINC001032207293	702125233	/nfs/dbraw/zinc/12/52/33/702125233.db2.gz	LIHVLHMRPPOZIX-UHFFFAOYSA-N	2	0	345.512	1.684	20	30		EDEDRP
C=CC[NH+]1CC[C@@H](CN(Cc2cccnc2)C(=O)[C@H]2CC[N@@H+](C)C2)C1	ZINC000995266804	703183757	/nfs/dbraw/zinc/18/37/57/703183757.db2.gz	IXQLBCDZYOFOBJ-MOPGFXCFSA-N	2	0	342.487	1.870	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)N[C@H](C)C2CC[NH+]([C@H](C)COC)CC2)CC1	ZINC000997435708	703665205	/nfs/dbraw/zinc/66/52/05/703665205.db2.gz	ZLARLOOCQRZJAQ-IAGOWNOFSA-N	2	0	349.519	1.583	20	30		EDEDRP
C=C(C)C[NH+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)nn2)C1	ZINC000999988416	707662414	/nfs/dbraw/zinc/66/24/14/707662414.db2.gz	UWAGEYFLSOONFS-DJIMGWMZSA-N	2	0	346.479	1.057	20	30		EDEDRP
C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CN(C)CCO3)CC[C@@H]2C1	ZINC000946536631	707895654	/nfs/dbraw/zinc/89/56/54/707895654.db2.gz	RNHXMNNGWADQHG-KSZLIROESA-N	2	0	335.492	1.454	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)N(C)[C@@H]2CC[N@H+](CC[C@H]3CCCO3)C2)CC1	ZINC001033687236	708500867	/nfs/dbraw/zinc/50/08/67/708500867.db2.gz	DEOJFRWWVSBUKM-RTBURBONSA-N	2	0	347.503	1.433	20	30		EDEDRP
C[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+](Cc2ccc(C#N)cc2)CC1	ZINC001002480059	709030187	/nfs/dbraw/zinc/03/01/87/709030187.db2.gz	LXGZCPAYRQAUTG-SFHVURJKSA-N	2	0	326.444	1.733	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)N(CC)[C@H]2CC[N@H+](C[C@@H]3CCOC3)C2)CC1	ZINC001034046712	709299656	/nfs/dbraw/zinc/29/96/56/709299656.db2.gz	UTTXUXXSPIGYCY-HKUYNNGSSA-N	2	0	347.503	1.291	20	30		EDEDRP
C=CCC[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1	ZINC001034318646	709767834	/nfs/dbraw/zinc/76/78/34/709767834.db2.gz	CTMPRNNOIBQWKE-VIHIWDAPSA-N	2	0	333.476	1.396	20	30		EDEDRP
CC#CC[N@@H+]1CCCC[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1	ZINC001034435185	710008356	/nfs/dbraw/zinc/00/83/56/710008356.db2.gz	HAJRYWBNFGCOKL-QGZVFWFLSA-N	2	0	331.464	1.052	20	30		EDEDRP
C#CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)CC1	ZINC001034659992	710589633	/nfs/dbraw/zinc/58/96/33/710589633.db2.gz	SNZSBMJAWBKWCD-BQFCYCMXSA-N	2	0	333.476	1.280	20	30		EDEDRP
CC[NH+]=C(NCC1([NH+]2CCCC2)CCOCC1)N1CCC(O)CC1	ZINC000086324715	711620851	/nfs/dbraw/zinc/62/08/51/711620851.db2.gz	CIKXGMOUSQNRJV-UHFFFAOYSA-N	2	0	338.496	1.054	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)Nc2ccc(OCC[NH+](C)C)cc2)CC1	ZINC000067204790	215124162	/nfs/dbraw/zinc/12/41/62/215124162.db2.gz	DPSVXPIAMURLLA-UHFFFAOYSA-N	2	0	329.444	1.911	20	30		EDEDRP
C#CCN(CC)CC(=O)N1CCC[N@H+](Cc2ccc(OC)cc2)CC1	ZINC000490922987	255108866	/nfs/dbraw/zinc/10/88/66/255108866.db2.gz	IBBYGQGJHDBQBW-UHFFFAOYSA-N	2	0	343.471	1.685	20	30		EDEDRP
CC(C)(C)NC(=O)C[NH+]1CCC(C[NH2+]Cc2nc(C#N)cs2)CC1	ZINC000352824369	149182883	/nfs/dbraw/zinc/18/28/83/149182883.db2.gz	PVUKNTOBISNIQY-UHFFFAOYSA-N	2	0	349.504	1.731	20	30		EDEDRP
C[C@@H](Oc1ccccc1C#N)C(=O)N(CC[NH+](C)C)CC[NH+](C)C	ZINC000103212463	441178163	/nfs/dbraw/zinc/17/81/63/441178163.db2.gz	OKTPAAHWSANMQL-OAHLLOKOSA-N	2	0	332.448	1.277	20	30		EDEDRP
CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccc(C#N)cn1	ZINC000107583144	441420454	/nfs/dbraw/zinc/42/04/54/441420454.db2.gz	MIDRUJNWIOBNFG-INIZCTEOSA-N	2	0	329.448	1.441	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)N[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)CC1	ZINC000184076849	442989308	/nfs/dbraw/zinc/98/93/08/442989308.db2.gz	SQCYJCUSKLPILC-XLIONFOSSA-N	2	0	339.483	1.968	20	30		EDEDRP
C[NH+]=C(NC[C@@H](O)c1ccccc1F)N1CC[C@@H](C[NH+]2CCCC2)C1	ZINC000262791750	443212299	/nfs/dbraw/zinc/21/22/99/443212299.db2.gz	OIECCKFRTSXIHW-MAUKXSAKSA-N	2	0	348.466	1.852	20	30		EDEDRP
C#CCNC(=O)[C@H](C)[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1	ZINC000264037445	443246649	/nfs/dbraw/zinc/24/66/49/443246649.db2.gz	CNJPXFMQERKYRJ-KRWDZBQOSA-N	2	0	327.472	1.968	20	30		EDEDRP
CC(C)CNC(=[NH2+])NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1	ZINC000267445340	443460042	/nfs/dbraw/zinc/46/00/42/443460042.db2.gz	PXJGCSUIMUNIRT-QGZVFWFLSA-N	2	0	345.491	1.444	20	30		EDEDRP
C#CC[N@@H+](C)CCCNC(=O)N1CCC[C@@H](n2ccnc2CC)C1	ZINC000297457148	444288436	/nfs/dbraw/zinc/28/84/36/444288436.db2.gz	KKLUKMJFPVTMSH-MRXNPFEDSA-N	2	0	331.464	1.747	20	30		EDEDRP
Cn1cc(CN2CCN(C(=O)N[C@@H]3CC[N@@H+]4CCCC[C@@H]34)CC2)cn1	ZINC000329203047	444500191	/nfs/dbraw/zinc/50/01/91/444500191.db2.gz	YGYGEASOHRMORT-SJORKVTESA-N	2	0	346.479	1.079	20	30		EDEDRP
Cn1ccnc1[C@H]1CN(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)CCN1C	ZINC000329957852	444786699	/nfs/dbraw/zinc/78/66/99/444786699.db2.gz	MDAXIDGDFRFLQO-GOEBONIOSA-N	2	0	346.479	1.107	20	30		EDEDRP
CN(CCC#N)C[C@@H](O)CNc1ccc2c(c1)N(C)CC[N@@H+](C)C2	ZINC000576746272	448129884	/nfs/dbraw/zinc/12/98/84/448129884.db2.gz	FIPKOMKAZHIIHP-KRWDZBQOSA-N	2	0	331.464	1.186	20	30		EDEDRP
C[NH+]1CCN(c2cc[nH+]cc2NCc2cnc3ccc(C#N)cn23)CC1	ZINC000584795054	448636500	/nfs/dbraw/zinc/63/65/00/448636500.db2.gz	DFAHHFOTSDLHKE-UHFFFAOYSA-N	3	0	347.426	1.965	20	30		EDEDRP
N#Cc1cccc(C[NH+]2CCC(NC(=O)NC/C=C/C[NH3+])CC2)c1	ZINC000593716081	449157777	/nfs/dbraw/zinc/15/77/77/449157777.db2.gz	PATLBGTVHLJIQF-OWOJBTEDSA-N	2	0	327.432	1.337	20	30		EDEDRP
CSCC[C@H]([NH3+])C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000593919547	449286859	/nfs/dbraw/zinc/28/68/59/449286859.db2.gz	XYBQXEDHFPZRNG-KRWDZBQOSA-N	2	0	346.500	1.719	20	30		EDEDRP
N#CC1(C[C@H](O)C[NH2+][C@@H]2CCN(Cc3ccccc3)C[C@H]2CO)CC1	ZINC000600746810	449531183	/nfs/dbraw/zinc/53/11/83/449531183.db2.gz	XOXBGXHVRYCAOC-GBESFXJTSA-N	2	0	343.471	1.514	20	30		EDEDRP
COc1cc(CNC(=O)NCCN(C)CCC[NH+](C)C)ccc1C#N	ZINC000596604290	449570760	/nfs/dbraw/zinc/57/07/60/449570760.db2.gz	DHHKOVZYRRPLCU-UHFFFAOYSA-N	2	0	347.463	1.250	20	30		EDEDRP
N#CC1(C(=O)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)CCC1	ZINC000602512318	449639942	/nfs/dbraw/zinc/63/99/42/449639942.db2.gz	TVJFCLUNAFXIBS-UHFFFAOYSA-N	2	0	326.444	1.790	20	30		EDEDRP
C[C@]1(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)C[NH2+]CCO1	ZINC000602522611	449648930	/nfs/dbraw/zinc/64/89/30/449648930.db2.gz	UMNSBHPSZHCAMG-LJQANCHMSA-N	2	0	342.443	1.017	20	30		EDEDRP
COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)[C@H]([NH3+])CCCCC#N)cc1	ZINC000595256730	449979778	/nfs/dbraw/zinc/97/97/78/449979778.db2.gz	RHOPLKPDQOPTPH-KSZLIROESA-N	2	0	344.459	1.668	20	30		EDEDRP
COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)[C@@H]([NH3+])CCCC#N)cc1F	ZINC000595256657	449980438	/nfs/dbraw/zinc/98/04/38/449980438.db2.gz	QAZJOHRARSTNNR-BPUTZDHNSA-N	2	0	348.422	1.417	20	30		EDEDRP
CC[N@@H+]1CC[C@@H]([NH+](C)C[C@H](O)COc2ccc(C#N)cc2)[C@H](C)C1	ZINC000174776008	527756324	/nfs/dbraw/zinc/75/63/24/527756324.db2.gz	FVJZWNBIZVSGFZ-HHXXYDBFSA-N	2	0	331.460	1.960	20	30		EDEDRP
CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCc1cccc(C(=O)OC)c1	ZINC000132407172	529100737	/nfs/dbraw/zinc/10/07/37/529100737.db2.gz	JNNVQTGQQCBTGB-INIZCTEOSA-N	2	0	332.448	1.404	20	30		EDEDRP
N#Cc1cccc(C[NH+]2CCC(NC(=O)NC[C@H]3C[C@H]([NH3+])C3)CC2)c1	ZINC000892232883	590877658	/nfs/dbraw/zinc/87/76/58/590877658.db2.gz	OOUDZOSECNCSTD-QAQDUYKDSA-N	2	0	341.459	1.559	20	30		EDEDRP
C=C(C)C[C@@H](CO)[NH2+]C1CCN(CCNC(=O)OC(C)(C)C)CC1	ZINC000896034453	591326108	/nfs/dbraw/zinc/32/61/08/591326108.db2.gz	CKNDDGAGKSEMRW-INIZCTEOSA-N	2	0	341.496	1.892	20	30		EDEDRP
C=C(CC[NH+](C)C)C(=O)Nc1ccc(C(=O)NCC[NH+](C)C)cc1	ZINC000900178016	591940317	/nfs/dbraw/zinc/94/03/17/591940317.db2.gz	ZKRMBYJOPXEQDE-UHFFFAOYSA-N	2	0	332.448	1.424	20	30		EDEDRP
C=CC[NH+](CC=C)[C@H](CNC(=O)C1CN(C)CC[N@H+](C)C1)C(C)C	ZINC000906675431	592257005	/nfs/dbraw/zinc/25/70/05/592257005.db2.gz	XFZYNYLQWRREPX-GOSISDBHSA-N	2	0	336.524	1.295	20	30		EDEDRP
N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N1CCC(OCCC[NH3+])CC1	ZINC000876541878	597233342	/nfs/dbraw/zinc/23/33/42/597233342.db2.gz	LGQQKVVCAOYPQX-SFHVURJKSA-N	2	0	342.443	1.101	20	30		EDEDRP
CC[NH+](CC)[C@@H]1CCN(C(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)C1	ZINC000876718768	597303451	/nfs/dbraw/zinc/30/34/51/597303451.db2.gz	TVKPTPSRQNYSHQ-AEFFLSMTSA-N	2	0	326.444	1.688	20	30		EDEDRP
CC(C)[N@@H+]1CC[C@H](CNC(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)C1	ZINC000876734040	597312443	/nfs/dbraw/zinc/31/24/43/597312443.db2.gz	NVWHXIOTMRBCFP-QAPCUYQASA-N	2	0	326.444	1.592	20	30		EDEDRP
C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1	ZINC000876965535	597400180	/nfs/dbraw/zinc/40/01/80/597400180.db2.gz	FUGOSWDKEJNTEX-QLFBSQMISA-N	2	0	325.815	1.857	20	30		EDEDRP
CN1CCN(C(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)[C@@H](c2ccccc2)C1	ZINC000884305684	598059907	/nfs/dbraw/zinc/05/99/07/598059907.db2.gz	DFEZCOBJYIQMAX-AGYKMIKPSA-N	2	0	338.455	1.641	20	30		EDEDRP
C#CCN1CCC[C@H]1C(=O)NCC1C[NH+](Cc2cccc(CC)c2)C1	ZINC001031741393	698310840	/nfs/dbraw/zinc/31/08/40/698310840.db2.gz	YNEAUQQXWQEPRH-FQEVSTJZSA-N	2	0	339.483	1.895	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)N2C[C@H](C)[C@H]([NH2+]Cc3nccs3)C2)CC1	ZINC000939813311	699960702	/nfs/dbraw/zinc/96/07/02/699960702.db2.gz	ZEYPZQSFDCXHOR-GOEBONIOSA-N	2	0	346.500	1.425	20	30		EDEDRP
CC#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCc3cncn3C2)C(C)(C)C1	ZINC000940850437	700935271	/nfs/dbraw/zinc/93/52/71/700935271.db2.gz	FJCRDURNTYVGNT-WBVHZDCISA-N	2	0	328.460	1.686	20	30		EDEDRP
C=CCC[NH+]1CC(N2CCN(C(=O)C[C@@H]3CCC[N@H+]3C(C)C)CC2)C1	ZINC000941436703	701539977	/nfs/dbraw/zinc/53/99/77/701539977.db2.gz	CNYYSJYTUOPKJL-SFHVURJKSA-N	2	0	348.535	1.654	20	30		EDEDRP
CC[N@@H+]1CCCC[C@H]1C(=O)NCC1C[NH+](Cc2ccc(C#N)cc2)C1	ZINC001032205658	702092129	/nfs/dbraw/zinc/09/21/29/702092129.db2.gz	DWGXNLBFEZQERF-IBGZPJMESA-N	2	0	340.471	1.981	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)NCC2C[NH+](CC[C@H]3CCCCO3)C2)CC1	ZINC001032206580	702153161	/nfs/dbraw/zinc/15/31/61/702153161.db2.gz	DIMOVIUPGHCXTO-LJQANCHMSA-N	2	0	347.503	1.339	20	30		EDEDRP
C=C(C)C[NH2+][C@H]1CN(C(=O)c2cnn(CC[NH+](C)C)c2)CC1(C)C	ZINC000996403675	702758690	/nfs/dbraw/zinc/75/86/90/702758690.db2.gz	XIKLHPLZLAYNGO-INIZCTEOSA-N	2	0	333.480	1.461	20	30		EDEDRP
C#CC[NH2+][C@H]1CN(C(=O)[C@](C)(c2ccccc2)[NH+](C)C)CC1(C)C	ZINC000996506576	702827558	/nfs/dbraw/zinc/82/75/58/702827558.db2.gz	MRFZRVVAFXLTGZ-PXNSSMCTSA-N	2	0	327.472	1.923	20	30		EDEDRP
C#CCN1CC[NH+](C2CCC(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)CC1	ZINC000996776942	703066437	/nfs/dbraw/zinc/06/64/37/703066437.db2.gz	RFMBEAHCFFEKBG-LWSMDNFKSA-N	2	0	346.519	1.005	20	30		EDEDRP
C#CCCN1CC[NH+](C2CCC(NC(=O)[C@H]3CC[N@@H+](C)C3)CC2)CC1	ZINC000996802915	703093188	/nfs/dbraw/zinc/09/31/88/703093188.db2.gz	NNGVUIQPOTUWMK-VIQWUECVSA-N	2	0	346.519	1.006	20	30		EDEDRP
C#CC[NH+]1CC[C@@H](CN(Cc2cccnc2)C(=O)[C@H]2CC[N@@H+](C)C2)C1	ZINC000995266435	703181999	/nfs/dbraw/zinc/18/19/99/703181999.db2.gz	HMYIJKZVYXRZEU-MOPGFXCFSA-N	2	0	340.471	1.317	20	30		EDEDRP
N#Cc1ccc(F)cc1C[NH2+]C1CCN(C(=O)C[NH+]2CCCC2)CC1	ZINC000997306575	703565151	/nfs/dbraw/zinc/56/51/51/703565151.db2.gz	FGVVAXMEAWLYAT-UHFFFAOYSA-N	2	0	344.434	1.874	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)N[C@H](C)C2CC[NH+](C[C@@H](C)OC)CC2)CC1	ZINC000997433653	703664566	/nfs/dbraw/zinc/66/45/66/703664566.db2.gz	IQTFPDWKJZKJGD-IAGOWNOFSA-N	2	0	349.519	1.583	20	30		EDEDRP
C=CC[N@H+]1CCC[C@@H](N(CC)C(=O)c2cnn(CC[NH+](C)C)c2)CC1	ZINC000998157795	705434005	/nfs/dbraw/zinc/43/40/05/705434005.db2.gz	UJIYBQBDLXXPMK-GOSISDBHSA-N	2	0	347.507	1.947	20	30		EDEDRP
C#CCN1CCC[C@H]1C(=O)N1CCC[C@H](NCc2coc(C)n2)C1	ZINC000999391375	706904563	/nfs/dbraw/zinc/90/45/63/706904563.db2.gz	LABSYTMSLAGMHH-RDJZCZTQSA-N	2	0	330.432	1.161	20	30		EDEDRP
CC#CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccccc2CC[NH+](C)C)C1	ZINC001033297716	707415183	/nfs/dbraw/zinc/41/51/83/707415183.db2.gz	RZAVDKHSSROMHG-GOSISDBHSA-N	2	0	327.472	1.960	20	30		EDEDRP
CN(C(=O)[C@@H]1CC[N@H+](C)C1)C1CC([NH2+]Cc2cc(C#N)ccc2F)C1	ZINC000999833610	707463777	/nfs/dbraw/zinc/46/37/77/707463777.db2.gz	AJIYJJLORKMAGY-ODIFPOPNSA-N	2	0	344.434	1.728	20	30		EDEDRP
CN(C(=O)C12CC[NH+](CC1)C2)[C@@H]1CC[N@H+](Cc2cccc(C#N)c2)C1	ZINC001033592485	708291125	/nfs/dbraw/zinc/29/11/25/708291125.db2.gz	HPSSIDVNJLUIRO-GOSISDBHSA-N	2	0	338.455	1.687	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)N(C)[C@@H]2CC[N@H+](Cc3cccnc3)C2)CC1	ZINC001033689438	708519401	/nfs/dbraw/zinc/51/94/01/708519401.db2.gz	YSKIDDBKRLXDEC-LJQANCHMSA-N	2	0	340.471	1.460	20	30		EDEDRP
C=C(C)CC[N@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1	ZINC001033907166	709038494	/nfs/dbraw/zinc/03/84/94/709038494.db2.gz	QSYUMQWBFUXFJL-NNVNDSJASA-N	2	0	347.503	1.739	20	30		EDEDRP
C=CCC[NH+]1CCC(NC(=O)[C@@H]2COCCN2C2CCCC2)CC1	ZINC001003493074	710375542	/nfs/dbraw/zinc/37/55/42/710375542.db2.gz	KOSUGGFKNAMRAT-SFHVURJKSA-N	2	0	335.492	1.787	20	30		EDEDRP
C[NH+](C)[C@@H](C(=O)N1CCC[C@@H]1C[NH2+]Cc1cccc(C#N)c1)C1CC1	ZINC001034958917	711433410	/nfs/dbraw/zinc/43/34/10/711433410.db2.gz	OWRBEOJQTWRDMO-RTBURBONSA-N	2	0	340.471	1.979	20	30		EDEDRP
C=CCOc1ccc(C[N@@H+]2CCC[C@@H](N3CCNCC3=O)C2)cc1	ZINC000362688462	250183559	/nfs/dbraw/zinc/18/35/59/250183559.db2.gz	ZUOANUHHGFIGNF-QGZVFWFLSA-N	2	0	329.444	1.648	20	30		EDEDRP
N#Cc1ccc(C[N@H+]2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)cc1	ZINC000261786704	139225884	/nfs/dbraw/zinc/22/58/84/139225884.db2.gz	YLAVCEIKFLCRJD-QZTJIDSGSA-N	2	0	326.444	1.638	20	30		EDEDRP
C#CCN1CCN(C(=O)C[N@H+](CCOC)C[C@H]2CC=CCC2)CC1	ZINC000491667265	255137293	/nfs/dbraw/zinc/13/72/93/255137293.db2.gz	MRTVNKBFLLOUFI-SFHVURJKSA-N	2	0	333.476	1.069	20	30		EDEDRP
CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccccc1OCC[NH+](C)C	ZINC000264079864	285284254	/nfs/dbraw/zinc/28/42/54/285284254.db2.gz	GYRDWJVHUFHICW-KRWDZBQOSA-N	3	0	347.507	1.516	20	30		EDEDRP
COc1ccc(CCNC(=[NH2+])NC[C@@H]2CC[N@@H+](C3CC3)C2)cc1OC	ZINC000104172489	533477659	/nfs/dbraw/zinc/47/76/59/533477659.db2.gz	WOGNXJZZWAUMIN-HNNXBMFYSA-N	2	0	346.475	1.635	20	30		EDEDRP
C[NH+](C)C1CCN(CCNC(=O)CNc2ccc(C#N)cc2)CC1	ZINC000360896339	152244804	/nfs/dbraw/zinc/24/48/04/152244804.db2.gz	FTIKEFOQGXHWOM-UHFFFAOYSA-N	2	0	329.448	1.112	20	30		EDEDRP
Cn1cc(C[NH+]2CCC(C)(C[NH+]3CCN(C)CC3)CC2)cc1C#N	ZINC000366801281	153925248	/nfs/dbraw/zinc/92/52/48/153925248.db2.gz	XANZPLLQLALFFK-UHFFFAOYSA-N	2	0	329.492	1.746	20	30		EDEDRP
C[C@@H]1C[N@@H+](CCCNC(=[NH2+])N[C@@H]2CCOc3ccccc32)C[C@H](C)O1	ZINC000083030587	441347356	/nfs/dbraw/zinc/34/73/56/441347356.db2.gz	KIBCXBWFSMSXKB-HLLBOEOZSA-N	2	0	346.475	1.914	20	30		EDEDRP
CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@](C)(O)c1ccccc1Cl	ZINC000154568036	442346013	/nfs/dbraw/zinc/34/60/13/442346013.db2.gz	NVTTVVRRTXMXJC-DYVFJYSZSA-N	2	0	338.883	1.936	20	30		EDEDRP
C=CC[NH+]=C(NCc1nnc(C)n1C)N1CC[C@H]([NH+]2CCCCC2)C1	ZINC000261958568	443176159	/nfs/dbraw/zinc/17/61/59/443176159.db2.gz	JMRJPCRVRSEXII-INIZCTEOSA-N	2	0	345.495	1.315	20	30		EDEDRP
CC[NH+]=C(NCc1ccc(O)c(F)c1)N1CC[C@@H]([NH+]2CC=CC2)C1	ZINC000262349883	443191333	/nfs/dbraw/zinc/19/13/33/443191333.db2.gz	DZZPTQFSLRGXNB-OAHLLOKOSA-N	2	0	332.423	1.943	20	30		EDEDRP
CC[NH+]=C(NC[C@H](O)c1ccc(F)cc1)N1CC[C@@H]([NH+]2CC=CC2)C1	ZINC000262815929	443213154	/nfs/dbraw/zinc/21/31/54/443213154.db2.gz	WNJADTTWXJUHSA-MSOLQXFVSA-N	2	0	346.450	1.771	20	30		EDEDRP
CN(CCC[N@H+](C)Cc1cnc2ccc(C#N)cn12)CC[NH+](C)C	ZINC000570762337	321356211	/nfs/dbraw/zinc/35/62/11/321356211.db2.gz	RRUKSFWDQLBTCU-UHFFFAOYSA-N	2	0	328.464	1.521	20	30		EDEDRP
C[C@H](CNC(=O)N1CCC([N@H+](C)CCO)CC1)[NH+]1CCC[C@@H](C)C1	ZINC000331143477	444414958	/nfs/dbraw/zinc/41/49/58/444414958.db2.gz	YJDYBNDFXRAQDA-HZPDHXFCSA-N	2	0	340.512	1.409	20	30		EDEDRP
C[C@@H]1CC[C@@](CO)([N@H+](C)CC#CC[NH+](C)[C@@]2(CO)CC[C@@H](C)C2)C1	ZINC000342168973	444545787	/nfs/dbraw/zinc/54/57/87/444545787.db2.gz	OVNOUZSETNDTFY-WTGUMLROSA-N	2	0	336.520	1.956	20	30		EDEDRP
C[C@H]([NH2+]CCCC[NH+]1CCN(CCO)CC1)c1cccc(C#N)c1	ZINC000344116036	444789227	/nfs/dbraw/zinc/78/92/27/444789227.db2.gz	FULVORSKHSZRDK-KRWDZBQOSA-N	2	0	330.476	1.599	20	30		EDEDRP
C=CC[NH+]1CCC(NC(=O)[C@H](C(C)C)N2C[C@@H](C)O[C@@H](C)C2)CC1	ZINC000357814285	445584468	/nfs/dbraw/zinc/58/44/68/445584468.db2.gz	CADCVMBPIBDYAG-JZXOWHBKSA-N	2	0	337.508	1.887	20	30		EDEDRP
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CCC[C@H]([NH3+])C1	ZINC000418566607	446597662	/nfs/dbraw/zinc/59/76/62/446597662.db2.gz	AMVGLBBCSVDIJI-ROUUACIJSA-N	2	0	343.475	1.901	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)N2C[C@@H](SC)[C@@H]([NH+]3CCCC3)C2)CC1	ZINC000491020213	447917119	/nfs/dbraw/zinc/91/71/19/447917119.db2.gz	FPFKBVIFOQTMEY-DLBZAZTESA-N	2	0	335.517	1.370	20	30		EDEDRP
CC[NH+]1CCN(Cc2ccc(NC(=O)[C@H]([NH3+])CCCC#N)cc2)CC1	ZINC000570714888	448053528	/nfs/dbraw/zinc/05/35/28/448053528.db2.gz	WBECKMJGRBEJLR-GOSISDBHSA-N	2	0	343.475	1.784	20	30		EDEDRP
C#CC[N@H+](C)CCCNC(=O)N1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1	ZINC000491805355	448133638	/nfs/dbraw/zinc/13/36/38/448133638.db2.gz	OECKXSSFTJOUJH-SJLPKXTDSA-N	2	0	332.492	1.600	20	30		EDEDRP
C[NH+](C)C1CCN(c2ccc(NC(=O)[C@H]([NH3+])CCCC#N)nc2)CC1	ZINC000565949178	448385596	/nfs/dbraw/zinc/38/55/96/448385596.db2.gz	RDOFUMLHRUOIKK-MRXNPFEDSA-N	2	0	344.463	1.572	20	30		EDEDRP
CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H]([NH3+])CCCCC#N)C2)CC1	ZINC000594439938	449519229	/nfs/dbraw/zinc/51/92/29/449519229.db2.gz	WNHYJCYTOYFNHW-SJORKVTESA-N	2	0	335.496	1.025	20	30		EDEDRP
CC[NH+]1CCN(c2ccc(C[NH2+]C[C@@H](O)CC(C)(C)C#N)cn2)CC1	ZINC000598716133	449559939	/nfs/dbraw/zinc/55/99/39/449559939.db2.gz	XYXLWUUWEJPVMP-KRWDZBQOSA-N	2	0	345.491	1.614	20	30		EDEDRP
CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H](C)CC2(C#N)CCOCC2)CC1	ZINC000602542373	449663354	/nfs/dbraw/zinc/66/33/54/449663354.db2.gz	WGJMIKSKOLDWPO-MSOLQXFVSA-N	2	0	336.524	1.949	20	30		EDEDRP
N#Cc1cccc(C[NH+]2CCC(NC(=O)CCC3C[NH2+]C3)CC2)c1	ZINC000602521022	449646669	/nfs/dbraw/zinc/64/66/69/449646669.db2.gz	NCYXIGFNVYIRLS-UHFFFAOYSA-N	2	0	326.444	1.638	20	30		EDEDRP
C=CC[C@]1(C(=O)NCC2([NH+](C)C)Cc3ccccc3C2)CCC[NH2+]1	ZINC000662742132	453469655	/nfs/dbraw/zinc/46/96/55/453469655.db2.gz	STXBSNLJJPGIGS-HXUWFJFHSA-N	2	0	327.472	1.900	20	30		EDEDRP
COc1ccc(NC(=[NH2+])NCCN2CCC[N@H+](C)CC2)cc1OC	ZINC000104175086	533990058	/nfs/dbraw/zinc/99/00/58/533990058.db2.gz	KQKKWMQICJQLMG-UHFFFAOYSA-N	2	0	335.452	1.068	20	30		EDEDRP
CC[C@H](C#N)Oc1cccc(C[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)c1	ZINC000819068751	593737200	/nfs/dbraw/zinc/73/72/00/593737200.db2.gz	RQROTGOPJLMVDK-ZWKOTPCHSA-N	2	0	346.475	1.065	20	30		EDEDRP
C#CCNC(=O)CC[NH+]1CC[C@@H](Oc2ccnc(C[N@@H+](C)CC)c2)C1	ZINC000856584892	596022179	/nfs/dbraw/zinc/02/21/79/596022179.db2.gz	UHJBFYFOGKVLGI-GOSISDBHSA-N	2	0	344.459	1.126	20	30		EDEDRP
C=C(C[NH+](C)C)C(=O)N(C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1	ZINC000869515581	596547593	/nfs/dbraw/zinc/54/75/93/596547593.db2.gz	DCQNOOPKDAKHSS-LJQANCHMSA-N	2	0	331.460	1.200	20	30		EDEDRP
CN(C)c1ccc(C#N)cc1C[NH2+]CCCC[NH+]1CCN(C)CC1	ZINC000865413108	596567054	/nfs/dbraw/zinc/56/70/54/596567054.db2.gz	YCRQCASRNMDCOH-UHFFFAOYSA-N	2	0	329.492	1.741	20	30		EDEDRP
CCC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N[C@H]1C[NH2+]C[C@H]1C#N	ZINC000876801737	597344903	/nfs/dbraw/zinc/34/49/03/597344903.db2.gz	IDBCJDSAENLDOG-MKXGPGLRSA-N	2	0	340.471	1.762	20	30		EDEDRP
C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@@H]3[NH2+]CCc4cc(C#N)ccc43)CC[C@H]21	ZINC000876900546	597377464	/nfs/dbraw/zinc/37/74/64/597377464.db2.gz	KZGUFMSSQQPAKV-BHIYHBOVSA-N	2	0	338.455	1.688	20	30		EDEDRP
C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@H]1C[NH2+]CC[C@H]1c1ccc(OC)cc1	ZINC000876964431	597399687	/nfs/dbraw/zinc/39/96/87/597399687.db2.gz	FFWQUPRSARHLCP-XHSDSOJGSA-N	2	0	337.851	1.727	20	30		EDEDRP
C[NH+](C)CCOc1cccc(NC(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)c1	ZINC000884185812	598018542	/nfs/dbraw/zinc/01/85/42/598018542.db2.gz	IJYLGCMCAKHHHO-XAUUPUKJSA-N	2	0	342.443	1.705	20	30		EDEDRP
N#C[C@H]1C[NH2+]CC12CC(C(=O)N1CCC[C@H]1C[NH+]1CCCCC1)C2	ZINC000884197570	598024249	/nfs/dbraw/zinc/02/42/49/598024249.db2.gz	XGZHALKWPAZGQG-VIHIWDAPSA-N	2	0	330.476	1.603	20	30		EDEDRP
N#C[C@@H]1C[NH2+]CC12CC(C(=O)Nc1ncc(C3CC[NH2+]CC3)s1)C2	ZINC000884338104	598073894	/nfs/dbraw/zinc/07/38/94/598073894.db2.gz	YOFLGIPBCNAALI-UIORMTCPSA-N	2	0	345.472	1.688	20	30		EDEDRP
C[NH+]=C(NCCN1CCC[N@H+](C)CC1)N1CCS[C@H](C(C)C)C1	ZINC000153770936	696599906	/nfs/dbraw/zinc/59/99/06/696599906.db2.gz	QKYZRTPFHXAQPY-INIZCTEOSA-N	2	0	341.569	1.273	20	30		EDEDRP
C=CCC[NH+]1CC(CNC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1	ZINC001031679291	697496632	/nfs/dbraw/zinc/49/66/32/697496632.db2.gz	QUZDHGPHAHOHMY-MSOLQXFVSA-N	2	0	335.492	1.357	20	30		EDEDRP
C=CCC[NH+]1CC(N2CCN(C(=O)C34CCC[NH+]3CCC4)CC2)C1	ZINC000941475091	701551266	/nfs/dbraw/zinc/55/12/66/701551266.db2.gz	LCHXCDWAWNULCB-UHFFFAOYSA-N	2	0	332.492	1.019	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)N2C[C@H](C)[C@H]([NH2+]Cc3ccccc3)C2)CC1	ZINC000939810382	699958602	/nfs/dbraw/zinc/95/86/02/699958602.db2.gz	MNJGGRPOVQNYKC-FXAWDEMLSA-N	2	0	339.483	1.968	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@@H]([NH2+]Cc3ccccn3)C2)CC1	ZINC000939810514	699958616	/nfs/dbraw/zinc/95/86/16/699958616.db2.gz	NBDAYPOJAQDIOB-APWZRJJASA-N	2	0	340.471	1.363	20	30		EDEDRP
C#CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C(C)(C)C1	ZINC000940901661	700976596	/nfs/dbraw/zinc/97/65/96/700976596.db2.gz	PVPDEXXFZAVDDS-RXCRORICSA-N	2	0	345.487	1.090	20	30		EDEDRP
C[C@@H]1[C@H](C(=O)N2CCC[C@H]([NH2+]Cc3cccc(C#N)c3)C2)CC[N@@H+]1C	ZINC000999188815	706630479	/nfs/dbraw/zinc/63/04/79/706630479.db2.gz	DGHXTFPQWHUCIZ-AYOQOUSVSA-N	2	0	340.471	1.979	20	30		EDEDRP
C#CCN1CCC[C@H]1C(=O)N1C[C@H]([NH2+]Cc2conc2C)C(C)(C)C1	ZINC000995921422	702243157	/nfs/dbraw/zinc/24/31/57/702243157.db2.gz	IBSTTYYQTVIKQN-IRXDYDNUSA-N	2	0	344.459	1.407	20	30		EDEDRP
C[N@@H+]1CC[C@@H](C(=O)N2C[C@H]([NH2+]Cc3cccc(C#N)c3)C(C)(C)C2)C1	ZINC000996618113	702924864	/nfs/dbraw/zinc/92/48/64/702924864.db2.gz	WJQCLNULAOKRDX-MSOLQXFVSA-N	2	0	340.471	1.837	20	30		EDEDRP
C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H]([NH2+]Cc3ccc(C#N)cc3)C(C)(C)C2)C1	ZINC000996617750	702924935	/nfs/dbraw/zinc/92/49/35/702924935.db2.gz	WFKUXLCLMMWISN-QZTJIDSGSA-N	2	0	340.471	1.837	20	30		EDEDRP
C=CCN1CC[NH+](C2CCC(NC(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)CC1	ZINC000996795774	703080383	/nfs/dbraw/zinc/08/03/83/703080383.db2.gz	RMSLHSFIYRVZAZ-VIQWUECVSA-N	2	0	348.535	1.559	20	30		EDEDRP
C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCC([NH2+]Cc2ccccc2C#N)CC1	ZINC000997004185	703261149	/nfs/dbraw/zinc/26/11/49/703261149.db2.gz	BXIFALVDUUPYMP-BEFAXECRSA-N	2	0	340.471	1.837	20	30		EDEDRP
C#CC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)CC1	ZINC000997123631	703381634	/nfs/dbraw/zinc/38/16/34/703381634.db2.gz	ANCZIYDQHBEPMG-VQIMIIECSA-N	2	0	347.503	1.480	20	30		EDEDRP
C=C(Br)C[NH2+]C1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1	ZINC000997182647	703467929	/nfs/dbraw/zinc/46/79/29/703467929.db2.gz	HRLMUFYQPLQJPY-ZDUSSCGKSA-N	2	0	344.297	1.817	20	30		EDEDRP
C[N@@H+]1CCC[C@@H]1C(=O)N1CCC(C[NH2+]Cc2ccc(C#N)cc2)CC1	ZINC000997607031	703905992	/nfs/dbraw/zinc/90/59/92/703905992.db2.gz	OBSFGFKXYZNCQH-LJQANCHMSA-N	2	0	340.471	1.981	20	30		EDEDRP
C#CC[NH+]1CCC(NC(=O)NCC2(SC)CC[NH+](C)CC2)CC1	ZINC000922529266	703950446	/nfs/dbraw/zinc/95/04/46/703950446.db2.gz	AUUWZZAFFLGESG-UHFFFAOYSA-N	2	0	338.521	1.211	20	30		EDEDRP
C#CC[N@@H+]1CC[C@@H](NC(=O)CN2CCc3sccc3C2)[C@@H](C)C1	ZINC000945089089	705041726	/nfs/dbraw/zinc/04/17/26/705041726.db2.gz	FIRMOMSURZIRIW-GOEBONIOSA-N	2	0	331.485	1.566	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)N(C)[C@@H]2CC[N@H+](CC[C@@H]3CCCO3)C2)CC1	ZINC001033687230	708500667	/nfs/dbraw/zinc/50/06/67/708500667.db2.gz	DEOJFRWWVSBUKM-MOPGFXCFSA-N	2	0	347.503	1.433	20	30		EDEDRP
C[N@@H+]1CC[C@@H](C(=O)NCC2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1	ZINC001002121979	708635775	/nfs/dbraw/zinc/63/57/75/708635775.db2.gz	WZSIFRHHOMIFIV-LJQANCHMSA-N	2	0	340.471	1.838	20	30		EDEDRP
C=C(C)CC[N@H+]1CCCC[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1	ZINC001034435153	710008032	/nfs/dbraw/zinc/00/80/32/710008032.db2.gz	FZNLJLCYOPZGJD-SFHVURJKSA-N	2	0	347.507	1.995	20	30		EDEDRP
C#CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)CC1	ZINC001034659993	710589754	/nfs/dbraw/zinc/58/97/54/710589754.db2.gz	SNZSBMJAWBKWCD-JFIYKMOQSA-N	2	0	333.476	1.280	20	30		EDEDRP
COc1ccc([C@H](CNC(=O)[C@H]([NH3+])CCCC#N)[NH+]2CCCC2)cc1	ZINC000424127588	252134077	/nfs/dbraw/zinc/13/40/77/252134077.db2.gz	BDNXMMLWLQVIPW-MSOLQXFVSA-N	2	0	344.459	1.969	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)N[C@H](C[NH+](C)C)c2ccc(OC)cc2)CC1	ZINC000285872882	533148412	/nfs/dbraw/zinc/14/84/12/533148412.db2.gz	BPQLOOJGUKUPKD-LJQANCHMSA-N	2	0	343.471	1.759	20	30		EDEDRP
N#Cc1ccc(CNC(=O)CN2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@H]3C2)cc1	ZINC000369598708	155104054	/nfs/dbraw/zinc/10/40/54/155104054.db2.gz	BTWKZUWGJCIYOE-CEXWTWQISA-N	2	0	338.455	1.591	20	30		EDEDRP
C[N@@H+]1CCC[C@H](CC[NH2+]CCS(=O)(=O)c2cccc(C#N)c2)C1	ZINC000521031220	267338307	/nfs/dbraw/zinc/33/83/07/267338307.db2.gz	WERAOJSGLNIQNL-OAHLLOKOSA-N	2	0	335.473	1.653	20	30		EDEDRP
CC[NH+]1CCN(c2ccccc2C[NH2+]CCn2cnc(C#N)n2)CC1	ZINC000353013701	276203698	/nfs/dbraw/zinc/20/36/98/276203698.db2.gz	AYWWOMHNWQBNPO-UHFFFAOYSA-N	2	0	339.447	1.081	20	30		EDEDRP
CC[C@H](C(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1)[NH+](C)C	ZINC000124632559	441940647	/nfs/dbraw/zinc/94/06/47/441940647.db2.gz	JNQDEYIYAVIOJJ-GOSISDBHSA-N	2	0	328.460	1.933	20	30		EDEDRP
C=CCNC(=[NH2+])NCCC[NH+]1CCN(c2ccc(OC)cc2)CC1	ZINC000195522041	443028070	/nfs/dbraw/zinc/02/80/70/443028070.db2.gz	NPNRVMSJPQXLJT-UHFFFAOYSA-N	2	0	331.464	1.298	20	30		EDEDRP
C[NH+]=C(NCc1ccc(C(N)=O)o1)N1CC[C@@H]([NH+]2CCCCC2)C1	ZINC000262340882	443191201	/nfs/dbraw/zinc/19/12/01/443191201.db2.gz	COYZAFWDHPXKSU-CYBMUJFWSA-N	2	0	333.436	1.014	20	30		EDEDRP
CC[NH+]=C(NC[C@H](O)c1ccccc1F)N1CC[C@H]([NH+]2CC=CC2)C1	ZINC000262753081	443210321	/nfs/dbraw/zinc/21/03/21/443210321.db2.gz	AGICIQJIVZYDRT-YJBOKZPZSA-N	2	0	346.450	1.771	20	30		EDEDRP
C[NH+]=C(NC[C@H](O)c1ccc(F)cc1)N1CC[C@@H](C[NH+]2CCCC2)C1	ZINC000262816440	443213952	/nfs/dbraw/zinc/21/39/52/443213952.db2.gz	WVHGLDMIJGYLIJ-YJBOKZPZSA-N	2	0	348.466	1.852	20	30		EDEDRP
CC[NH+]1CCN(Cc2ccc(CNC(NC3CC3)=[NH+]C)cc2)CC1	ZINC000264061945	443247850	/nfs/dbraw/zinc/24/78/50/443247850.db2.gz	PRCDLEBWKVKNMG-UHFFFAOYSA-N	2	0	329.492	1.652	20	30		EDEDRP
C[NH+]1CCN(c2cc(CNC(=[NH2+])NC3CCCCC3)ccn2)CC1	ZINC000264056142	443247515	/nfs/dbraw/zinc/24/75/15/443247515.db2.gz	ATMUZPOSMSLUIL-UHFFFAOYSA-N	2	0	330.480	1.570	20	30		EDEDRP
CCOC(=O)c1ccc(CNC(=[NH2+])NC[C@@H]2CCC[N@@H+]2CC)cc1	ZINC000264116366	443249556	/nfs/dbraw/zinc/24/95/56/443249556.db2.gz	SRSBEFKXEPRARL-INIZCTEOSA-N	2	0	332.448	1.752	20	30		EDEDRP
CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(N2CCCC2)nc1	ZINC000264142106	443252257	/nfs/dbraw/zinc/25/22/57/443252257.db2.gz	WTUOHLXMGIRZCW-MRXNPFEDSA-N	2	0	330.480	1.570	20	30		EDEDRP
CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCc1cnn(-c2ccccc2)c1	ZINC000264137477	443253036	/nfs/dbraw/zinc/25/30/36/443253036.db2.gz	VOGUEGMRKPFAGG-SFHVURJKSA-N	2	0	340.475	1.803	20	30		EDEDRP
CCOc1cc(CNC(=[NH2+])NC[C@H]2CCC[N@@H+]2CC)ccc1OC	ZINC000267433035	443455913	/nfs/dbraw/zinc/45/59/13/443455913.db2.gz	NBAZCRSVFOEZOG-OAHLLOKOSA-N	2	0	334.464	1.983	20	30		EDEDRP
COc1ccc(N2CC[NH+](CCCNC3=[NH+]CCN3C)CC2)cc1	ZINC000285189821	443888710	/nfs/dbraw/zinc/88/87/10/443888710.db2.gz	VJLDMHQQNFAZMC-UHFFFAOYSA-N	2	0	331.464	1.098	20	30		EDEDRP
C#CC[N@H+](C)CCCNC(=O)NCc1cccnc1-n1ccnc1C	ZINC000296481030	444233226	/nfs/dbraw/zinc/23/32/26/444233226.db2.gz	XACMAQOPCANXLS-UHFFFAOYSA-N	2	0	340.431	1.330	20	30		EDEDRP
N#Cc1ccc(OC[C@@H](O)C[NH2+]C2CC[NH+](CC3CC3)CC2)cc1	ZINC000581305738	322161726	/nfs/dbraw/zinc/16/17/26/322161726.db2.gz	WPAKDFORALRIKB-SFHVURJKSA-N	2	0	329.444	1.762	20	30		EDEDRP
CC[NH+]1CCN(c2ccc(CNC(=O)[C@@H]3CCC[N@@H+]3C)cn2)CC1	ZINC000329225216	444506292	/nfs/dbraw/zinc/50/62/92/444506292.db2.gz	GANWZLCEIDGVQN-INIZCTEOSA-N	2	0	331.464	1.774	20	30		EDEDRP
C=CC[NH+]1CCC(NC(=O)C(=O)N2CCCC[C@@H]2c2ncc[nH]2)CC1	ZINC000343758459	444569381	/nfs/dbraw/zinc/56/93/81/444569381.db2.gz	BVMPCJOKVBFDOS-OAHLLOKOSA-N	2	0	345.447	1.230	20	30		EDEDRP
C[C@@H](O)[C@H]1C[C@H](C)CC[N@@H+]1CC#CC[NH+]1CC[C@H](C)C[C@@H]1[C@H](C)O	ZINC000342153841	444538183	/nfs/dbraw/zinc/53/81/83/444538183.db2.gz	CJUHZASVLZBAOR-WMDIELAYSA-N	2	0	336.520	1.952	20	30		EDEDRP
C[C@@H]1C[C@H](NC(=O)NCC2([NH+]3CCCC3)CCOCC2)CC[N@@H+]1C	ZINC000329748588	444700316	/nfs/dbraw/zinc/70/03/16/444700316.db2.gz	FMZCVSMFIZHUII-HZPDHXFCSA-N	2	0	338.496	1.618	20	30		EDEDRP
C[C@H](O)C[N@@H+]1CCN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[NH+]3C)C[C@H]1C	ZINC000329784016	444715653	/nfs/dbraw/zinc/71/56/53/444715653.db2.gz	OYRHQRXDJWYPMI-OZSLIKBDSA-N	2	0	338.496	1.303	20	30		EDEDRP
C[NH+]1CC[C@@]2(CCN(CC#CCN3CC[C@@]4(CC[N@@H+](C)C4)C3)C2)C1	ZINC000366512257	446244549	/nfs/dbraw/zinc/24/45/49/446244549.db2.gz	AHLSMANGPXCZAF-WOJBJXKFSA-N	2	0	330.520	1.045	20	30		EDEDRP
C=CCN1CC[C@@H]([N@@H+]2CCCN(C3CC[NH+](CC)CC3)CC2)C1=O	ZINC000420982095	446956304	/nfs/dbraw/zinc/95/63/04/446956304.db2.gz	OPXQMEVAJUXSPS-GOSISDBHSA-N	2	0	334.508	1.265	20	30		EDEDRP
CC[C@H](CC#N)NCC(=O)NCC1([NH+]2CCOCC2)CCCCC1	ZINC000578520447	448568172	/nfs/dbraw/zinc/56/81/72/448568172.db2.gz	ZHTIFHXZOJWPMU-MRXNPFEDSA-N	2	0	336.480	1.420	20	30		EDEDRP
CC(C)([NH3+])CNC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000593712548	449156894	/nfs/dbraw/zinc/15/68/94/449156894.db2.gz	OCZGNPWZBLHZOV-UHFFFAOYSA-N	2	0	329.448	1.559	20	30		EDEDRP
N#Cc1cccc(C[NH+]2CCC(NC(=O)NCC[NH+]3CCC3)CC2)c1	ZINC000593513296	449318256	/nfs/dbraw/zinc/31/82/56/449318256.db2.gz	YSTXMSYQGQOVSL-UHFFFAOYSA-N	2	0	341.459	1.528	20	30		EDEDRP
CC(C)[NH+]1CCN([C@H]2CCN(C(=O)[C@H]([NH3+])CCCCC#N)C2)CC1	ZINC000594439933	449518428	/nfs/dbraw/zinc/51/84/28/449518428.db2.gz	WNHYJCYTOYFNHW-DLBZAZTESA-N	2	0	335.496	1.025	20	30		EDEDRP
C=C(C)[C@@H](CO)[NH+]1CCC(C(=O)NCCC[NH+](CC)CC)CC1	ZINC000649248310	451929504	/nfs/dbraw/zinc/92/95/04/451929504.db2.gz	GHEGGJGGTABWNY-QGZVFWFLSA-N	2	0	325.497	1.484	20	30		EDEDRP
CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CCN(c2ccccc2)C1	ZINC000264064820	535548938	/nfs/dbraw/zinc/54/89/38/535548938.db2.gz	ASFYJCOSOWCAMC-SJLPKXTDSA-N	2	0	329.492	1.902	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]([NH+]3CCOCC3)CC2)CC1	ZINC000773412371	580336737	/nfs/dbraw/zinc/33/67/37/580336737.db2.gz	DMPBIHUGBHGDGO-GOSISDBHSA-N	2	0	333.476	1.045	20	30		EDEDRP
C=C(CC[NH+](C)C)C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1	ZINC000900416405	592013376	/nfs/dbraw/zinc/01/33/76/592013376.db2.gz	DLUQNYJVIMGBRH-UHFFFAOYSA-N	2	0	328.460	1.956	20	30		EDEDRP
C#CC[C@@H]1CCC[NH+](CC(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)C1	ZINC000829769497	594259506	/nfs/dbraw/zinc/25/95/06/594259506.db2.gz	WJIYJSVAOHSKRS-MSOLQXFVSA-N	2	0	335.492	1.195	20	30		EDEDRP
CC1(C(=O)N[C@@H]2C[NH2+]C[C@H]2C#N)CC[NH+](Cc2ccccc2)CC1	ZINC000834507137	595148701	/nfs/dbraw/zinc/14/87/01/595148701.db2.gz	YLCWGLJAFWCYRT-IAGOWNOFSA-N	2	0	326.444	1.516	20	30		EDEDRP
CN(C)C(NCc1ccccc1)=[NH+]CCN1CC[N@H+](C)C(C)(C)C1	ZINC000849108137	595482971	/nfs/dbraw/zinc/48/29/71/595482971.db2.gz	DWCXNUCAYZEYDB-UHFFFAOYSA-N	2	0	331.508	1.720	20	30		EDEDRP
N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)N1CCC2(CC[NH2+]CC2)CC1	ZINC000867978434	596642684	/nfs/dbraw/zinc/64/26/84/596642684.db2.gz	KHOKIAJXAOXMLO-GOSISDBHSA-N	2	0	338.455	1.737	20	30		EDEDRP
C[NH+](C)C[C@@H]1CN(C(=O)[C@@]2(C#N)CC23CCCC3)C[C@H]1C[NH+](C)C	ZINC000870017448	596709623	/nfs/dbraw/zinc/70/96/23/596709623.db2.gz	OBSMJBXTNQCZLS-MDZRGWNJSA-N	2	0	332.492	1.658	20	30		EDEDRP
CC(C)[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)C1	ZINC000876739000	597315459	/nfs/dbraw/zinc/31/54/59/597315459.db2.gz	BHVJGZYQEPVESS-VQIMIIECSA-N	2	0	340.471	1.982	20	30		EDEDRP
C=C(Cl)C[C@H]([NH3+])C(=O)NCC1([NH+]2CCC(OC)CC2)CCCC1	ZINC000876759781	597325719	/nfs/dbraw/zinc/32/57/19/597325719.db2.gz	QLXOWCSFBNIWIQ-HNNXBMFYSA-N	2	0	343.899	1.996	20	30		EDEDRP
CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)C1	ZINC000876774639	597334962	/nfs/dbraw/zinc/33/49/62/597334962.db2.gz	BOEUCONMILYDQN-YJBOKZPZSA-N	2	0	326.444	1.545	20	30		EDEDRP
N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1	ZINC000876786923	597340117	/nfs/dbraw/zinc/34/01/17/597340117.db2.gz	RACIPOBDZJKHIC-QRQLOZEOSA-N	2	0	338.455	1.736	20	30		EDEDRP
C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@H]3[NH2+]CCc4cc(C#N)ccc43)CC[C@@H]21	ZINC000876900547	597376974	/nfs/dbraw/zinc/37/69/74/597376974.db2.gz	KZGUFMSSQQPAKV-NEWSRXKRSA-N	2	0	338.455	1.688	20	30		EDEDRP
CC(C)[C@H](CNC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N)[NH+]1CCC(C)CC1	ZINC000884188711	598020146	/nfs/dbraw/zinc/02/01/46/598020146.db2.gz	NWPYGKHNAVERDT-NRGCRIOASA-N	2	0	346.519	1.998	20	30		EDEDRP
N#C[C@@H]1C[NH2+]CC12CC(C(=O)N1CC[C@H](C[NH+]3CCCCC3)C1)C2	ZINC000884227640	598036574	/nfs/dbraw/zinc/03/65/74/598036574.db2.gz	UXHDZUQRALPBPX-FXQQTDPRSA-N	2	0	330.476	1.460	20	30		EDEDRP
N#C[C@H]1C[NH2+]CC12CC(C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1)C2	ZINC000884404220	598095109	/nfs/dbraw/zinc/09/51/09/598095109.db2.gz	GEYVHEAQDURCLD-KZIZELGASA-N	2	0	338.455	1.388	20	30		EDEDRP
C#CC[NH+]1CCC(NC(=O)NC[C@H](c2ccc(C)cc2)[NH+](C)C)CC1	ZINC000915072434	695731627	/nfs/dbraw/zinc/73/16/27/695731627.db2.gz	CDUZJYOCWHOXEP-LJQANCHMSA-N	2	0	342.487	1.995	20	30		EDEDRP
C=C(Br)C[NH2+][C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1C	ZINC000939055261	699116250	/nfs/dbraw/zinc/11/62/50/699116250.db2.gz	WHRZOAZAXUVRDJ-SMDDNHRTSA-N	2	0	344.297	1.673	20	30		EDEDRP
C=C(C)CC[NH+]1CC(N2CCN(C(=O)CC[NH+]3CCCCC3)CC2)C1	ZINC000941677669	701616172	/nfs/dbraw/zinc/61/61/72/701616172.db2.gz	SPXYWOITICRDRW-UHFFFAOYSA-N	2	0	348.535	1.657	20	30		EDEDRP
C#CCC[N@H+]1CC[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C(C)(C)C1	ZINC000941091713	701135307	/nfs/dbraw/zinc/13/53/07/701135307.db2.gz	YBWVTQKWPWYVOW-KRWDZBQOSA-N	2	0	345.491	1.298	20	30		EDEDRP
C=C(C)C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1	ZINC000999188347	706629577	/nfs/dbraw/zinc/62/95/77/706629577.db2.gz	YYNPXDBYSZORID-OTWHNJEPSA-N	2	0	349.519	1.890	20	30		EDEDRP
C[N@@H+]1CC[C@H](C(=O)N2C[C@H]([NH2+]Cc3ccccc3C#N)C(C)(C)C2)C1	ZINC000996618513	702925243	/nfs/dbraw/zinc/92/52/43/702925243.db2.gz	XLJZAZWHPWRRJM-ROUUACIJSA-N	2	0	340.471	1.837	20	30		EDEDRP
C#CCCN1CC[NH+](C2CCC(NC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)CC1	ZINC000996802914	703093077	/nfs/dbraw/zinc/09/30/77/703093077.db2.gz	NNGVUIQPOTUWMK-LMDPOFIKSA-N	2	0	346.519	1.006	20	30		EDEDRP
C#CCN(C(=O)NC1CCC(C[NH+](C)C)CC1)C1CC[NH+](C)CC1	ZINC000921588978	703630105	/nfs/dbraw/zinc/63/01/05/703630105.db2.gz	WOEYKAGPNSWQPM-UHFFFAOYSA-N	2	0	334.508	1.846	20	30		EDEDRP
C#CC[N@H+](C)CCCNC(=O)N1CCC(Nc2ccccn2)CC1	ZINC000922629626	704160319	/nfs/dbraw/zinc/16/03/19/704160319.db2.gz	XNPAMLQYLRTJFU-UHFFFAOYSA-N	2	0	329.448	1.623	20	30		EDEDRP
C[N@@H+]1CC[C@H](C(=O)N2CCC(C[NH2+]Cc3ccc(C#N)s3)CC2)C1	ZINC000998271255	705651037	/nfs/dbraw/zinc/65/10/37/705651037.db2.gz	FNGFCWZGNNVPTJ-HNNXBMFYSA-N	2	0	346.500	1.900	20	30		EDEDRP
C=CC[NH2+][C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)CC[C@H]1C(F)(F)F	ZINC000998305745	705709689	/nfs/dbraw/zinc/70/96/89/705709689.db2.gz	SHNVGDHDOYEOEW-CHWSQXEVSA-N	2	0	331.382	1.637	20	30		EDEDRP
C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2cc(C#N)ccc2F)C1	ZINC000998720136	706152749	/nfs/dbraw/zinc/15/27/49/706152749.db2.gz	IIAMQOYNOCFIIZ-AEFFLSMTSA-N	2	0	344.434	1.872	20	30		EDEDRP
N#Cc1cccc(C[NH2+][C@H]2CCCN(C(=O)CCc3c[nH]cn3)C2)c1	ZINC000999318372	706826331	/nfs/dbraw/zinc/82/63/31/706826331.db2.gz	RXVZRZYWNRWXJD-SFHVURJKSA-N	2	0	337.427	1.995	20	30		EDEDRP
C[C@@H]1CC[N@H+](CC(=O)N(C)C2CC([NH2+]Cc3cccc(C#N)c3)C2)C1	ZINC000999401943	706910369	/nfs/dbraw/zinc/91/03/69/706910369.db2.gz	BSGROZFZZUXUAH-VNCLNFNDSA-N	2	0	340.471	1.979	20	30		EDEDRP
C[C@@H]1CC[N@H+](CC(=O)N(C)[C@H]2CC[NH+](Cc3ccc(C#N)cc3)C2)C1	ZINC001033420384	707830661	/nfs/dbraw/zinc/83/06/61/707830661.db2.gz	OSKWVUBYUTXVGS-APWZRJJASA-N	2	0	340.471	1.933	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)N(C)[C@@H]2CC[N@H+](CCOC3CCC3)C2)CC1	ZINC001033684037	708495988	/nfs/dbraw/zinc/49/59/88/708495988.db2.gz	CFODDAWIMPGFBP-GOSISDBHSA-N	2	0	347.503	1.433	20	30		EDEDRP
C=C(C)CC[NH+]1CCC(N(C)C(=O)[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CC1	ZINC001005427681	708982844	/nfs/dbraw/zinc/98/28/44/708982844.db2.gz	YIBHBCDQFQCKEH-ROUUACIJSA-N	2	0	335.492	1.739	20	30		EDEDRP
C=CCC[N@H+]1CC[C@H](N(CC)C(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1	ZINC001033905909	709033929	/nfs/dbraw/zinc/03/39/29/709033929.db2.gz	MTYKWCGZGURTCF-VIHIWDAPSA-N	2	0	333.476	1.349	20	30		EDEDRP
C=CC[NH+]1CCC(N(C)C(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)CC1	ZINC001005497617	709245193	/nfs/dbraw/zinc/24/51/93/709245193.db2.gz	OEDHYIPIRDDFQA-GOSISDBHSA-N	2	0	335.492	1.739	20	30		EDEDRP
C#CCC[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCOCC2)C1	ZINC001034241242	709626871	/nfs/dbraw/zinc/62/68/71/709626871.db2.gz	PPQYWWRERCOQAK-HKUYNNGSSA-N	2	0	347.503	1.624	20	30		EDEDRP
C=C(C)CC[NH+]1CCC(N(C)C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)CC1	ZINC001005741513	711315794	/nfs/dbraw/zinc/31/57/94/711315794.db2.gz	MAUYDBNXGCLEHU-IPCDKGFNSA-N	2	0	347.503	1.739	20	30		EDEDRP
C[C@@H](CNC(=[NH2+])N1CCN(c2ncccn2)CC1)C[NH+]1CCCCC1	ZINC000264071064	249331139	/nfs/dbraw/zinc/33/11/39/249331139.db2.gz	DEOCOZFGOUHJMI-INIZCTEOSA-N	2	0	345.495	1.035	20	30		EDEDRP
COc1ccc(CNC(=[NH2+])NCC[N@@H+]2CCCC[C@H]2C)cc1OC	ZINC000264098440	249334354	/nfs/dbraw/zinc/33/43/54/249334354.db2.gz	NBMIVWHWKIRHKH-CQSZACIVSA-N	2	0	334.464	1.983	20	30		EDEDRP
N#CCCC[C@@H]([NH3+])C(=O)NCC1([NH+]2CCSCC2)CCCCC1	ZINC000424150845	252145192	/nfs/dbraw/zinc/14/51/92/252145192.db2.gz	ZQKZGRVWEBAXTC-OAHLLOKOSA-N	2	0	338.521	1.875	20	30		EDEDRP
C#CCN1CCN(C(=O)C[NH2+][C@@H](C)c2ccccc2OC(C)C)CC1	ZINC000490922013	255109158	/nfs/dbraw/zinc/10/91/58/255109158.db2.gz	BOYPNJMKSBCFGB-KRWDZBQOSA-N	2	0	343.471	1.902	20	30		EDEDRP
C[C@H]1CN(C(=O)c2ccnc(C#N)c2)CCN1C1CC[NH+](C)CC1	ZINC000408321491	158330537	/nfs/dbraw/zinc/33/05/37/158330537.db2.gz	QXRJBIWYZSBXQA-AWEZNQCLSA-N	2	0	327.432	1.194	20	30		EDEDRP
CC[NH+]1CCN([C@H](C)C[NH2+][C@@H]2CCC[C@@H]3O[C@H](CC#N)C[C@H]32)CC1	ZINC000373228864	279370048	/nfs/dbraw/zinc/37/00/48/279370048.db2.gz	ORGZBCCQJDSIIL-FQBWVUSXSA-N	2	0	334.508	1.842	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)NCc2ccccc2OCC[NH+](C)C)CC1	ZINC000122968911	441870622	/nfs/dbraw/zinc/87/06/22/441870622.db2.gz	XQOULARVVVYPRA-UHFFFAOYSA-N	2	0	343.471	1.588	20	30		EDEDRP
C=CC[NH+]1CCC(NC(=O)NCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1	ZINC000171707365	442372971	/nfs/dbraw/zinc/37/29/71/442372971.db2.gz	FTQRXSVBEXSXBW-IYBDPMFKSA-N	2	0	338.496	1.435	20	30		EDEDRP
CC/[NH+]=C(/NCc1cn2ccsc2n1)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C	ZINC000261975427	443177460	/nfs/dbraw/zinc/17/74/60/443177460.db2.gz	NOYNXPIURONBFS-DOMZBBRYSA-N	2	0	346.504	1.934	20	30		EDEDRP
C=CCc1cc(C[N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)cc(OC)c1O	ZINC000262126393	443184047	/nfs/dbraw/zinc/18/40/47/443184047.db2.gz	NBRNQZIUPHWJKP-QGZVFWFLSA-N	2	0	331.460	1.609	20	30		EDEDRP
COC[C@H](C)NC(=[NH2+])NCCC[N@@H+]1CCN(C)C[C@H]1c1ccccc1	ZINC000264091701	443248425	/nfs/dbraw/zinc/24/84/25/443248425.db2.gz	LDCUJPMGVWMSPT-WMZOPIPTSA-N	2	0	347.507	1.304	20	30		EDEDRP
CC(C)CNC(=[NH2+])NCc1ccc(CNC(=[NH2+])NCC(C)C)cc1	ZINC000274143836	443596155	/nfs/dbraw/zinc/59/61/55/443596155.db2.gz	AWXHMUMHWVYEEH-UHFFFAOYSA-N	2	0	332.496	1.807	20	30		EDEDRP
COc1ccc(N2CC[NH+](CCCNC3=[NH+]C[C@@H](C)N3)CC2)cc1	ZINC000285051479	443837144	/nfs/dbraw/zinc/83/71/44/443837144.db2.gz	LDENDDMPGUKWKH-OAHLLOKOSA-N	2	0	331.464	1.145	20	30		EDEDRP
C[N@@H+]1CCCN(CCCNC(=[NH2+])N[C@H]2CCOc3ccccc32)CC1	ZINC000304464191	444249511	/nfs/dbraw/zinc/24/95/11/444249511.db2.gz	AVZXYMCRMWDEKF-KRWDZBQOSA-N	2	0	345.491	1.442	20	30		EDEDRP
CC[NH+]1CCC(C[NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)CC1	ZINC000322031103	444338514	/nfs/dbraw/zinc/33/85/14/444338514.db2.gz	HOSOFNBNRHPLQQ-UHFFFAOYSA-N	2	0	335.473	1.653	20	30		EDEDRP
C[NH+](C)C1CCN(CCNC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)CC1	ZINC000328811284	444361284	/nfs/dbraw/zinc/36/12/84/444361284.db2.gz	FEJVIFJOZFJTOR-SJORKVTESA-N	2	0	337.512	1.143	20	30		EDEDRP
CN1CC[N@H+](C)C[C@@H]1CNC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1	ZINC000329362861	444549906	/nfs/dbraw/zinc/54/99/06/444549906.db2.gz	JAKTXSZTYIXYBX-AWEZNQCLSA-N	2	0	325.501	1.045	20	30		EDEDRP
C[C@H]1COCCN1CC[NH+]1CCN(Cc2ccc(C#N)cc2)CC1	ZINC000337129941	444954263	/nfs/dbraw/zinc/95/42/63/444954263.db2.gz	JJGVCHBFFYVSGB-KRWDZBQOSA-N	2	0	328.460	1.397	20	30		EDEDRP
CCC[NH+]1CCC(NC(=O)N2CC[N@H+](C[C@H](C)O)[C@H](C)C2)CC1	ZINC000330828619	445157271	/nfs/dbraw/zinc/15/72/71/445157271.db2.gz	GFWFBROQJJFREX-CABCVRRESA-N	2	0	326.485	1.162	20	30		EDEDRP
C[NH+](C)CC1CC[NH+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1	ZINC000370285451	446214285	/nfs/dbraw/zinc/21/42/85/446214285.db2.gz	MWNKCCBPBAVECD-SFHVURJKSA-N	2	0	326.444	1.937	20	30		EDEDRP
C[NH+](C)CCCN(CCC#N)C(=O)Nc1ccc(OCC[NH3+])cc1	ZINC000415936809	447527640	/nfs/dbraw/zinc/52/76/40/447527640.db2.gz	MJTPPRDQERYLMU-UHFFFAOYSA-N	2	0	333.436	1.723	20	30		EDEDRP
C=CC[NH+]1CCC(NC(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)CC1	ZINC000566437115	448470837	/nfs/dbraw/zinc/47/08/37/448470837.db2.gz	WYEFIUOLWZFUFW-QGZVFWFLSA-N	2	0	337.533	1.971	20	30		EDEDRP
N#Cc1ccc(CN2CC[C@H]([NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@H]4C3)C2=O)cc1	ZINC000592470824	448851817	/nfs/dbraw/zinc/85/18/17/448851817.db2.gz	KGHZULWSBMHWGS-MKXGPGLRSA-N	2	0	338.455	1.637	20	30		EDEDRP
COCCC[NH+]1CCC([NH2+]C[C@H](O)COc2ccccc2C#N)CC1	ZINC000530231617	449089173	/nfs/dbraw/zinc/08/91/73/449089173.db2.gz	ROXFQMPPJBWYHR-SFHVURJKSA-N	2	0	347.459	1.388	20	30		EDEDRP
N#Cc1cccc(C[NH+]2CCC(NC(=O)[C@@H]3C[C@@]34CC[NH2+]C4)CC2)c1	ZINC000593919326	449286957	/nfs/dbraw/zinc/28/69/57/449286957.db2.gz	TYDGCXDLMGBPBF-AZUAARDMSA-N	2	0	338.455	1.638	20	30		EDEDRP
C[C@@H]([NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)C1CC[NH+](C)CC1	ZINC000617098393	449459263	/nfs/dbraw/zinc/45/92/63/449459263.db2.gz	KFHUXPXKZFZWPU-DNVCBOLYSA-N	2	0	340.471	1.979	20	30		EDEDRP
CC[NH+]1CCC(n2nccc2NC(=O)[C@H]([NH3+])CCCCC#N)CC1	ZINC000594441909	449520896	/nfs/dbraw/zinc/52/08/96/449520896.db2.gz	YFKMNVAZEDNVIM-OAHLLOKOSA-N	2	0	332.452	1.890	20	30		EDEDRP
C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)N1Cc2cccc(C#N)c2C1	ZINC000596689281	449607519	/nfs/dbraw/zinc/60/75/19/449607519.db2.gz	IVFYXHJCUSEGEY-HNNXBMFYSA-N	2	0	343.475	1.855	20	30		EDEDRP
C[NH+]1CCC2(CC[N@H+](C[C@H](O)COc3ccc(CC#N)cc3)C2)CC1	ZINC000602878390	449887100	/nfs/dbraw/zinc/88/71/00/449887100.db2.gz	RCFIHHYKKARBOS-SFHVURJKSA-N	2	0	343.471	1.910	20	30		EDEDRP
C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(CCc2ccc(C#N)cc2)CC1	ZINC000595344366	450057095	/nfs/dbraw/zinc/05/70/95/450057095.db2.gz	CRTLIQJWDBLEML-GOSISDBHSA-N	2	0	326.444	1.339	20	30		EDEDRP
C=C(C)[C@H](CO)[NH+]1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1	ZINC000649318641	451997628	/nfs/dbraw/zinc/99/76/28/451997628.db2.gz	HLOHIHHXEPOXRI-INIZCTEOSA-N	2	0	325.497	1.339	20	30		EDEDRP
C=CC[C@]1(C(=O)N2CCN(C[C@H]3CCCC[N@H+]3C)CC2)CCC[NH2+]1	ZINC000662789861	453523671	/nfs/dbraw/zinc/52/36/71/453523671.db2.gz	DVVPJUIHKZXIOV-IEBWSBKVSA-N	2	0	334.508	1.313	20	30		EDEDRP
C=CCOc1cccnc1C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1	ZINC000678752579	487359795	/nfs/dbraw/zinc/35/97/95/487359795.db2.gz	TYQFZTGEEPCIKC-HNNXBMFYSA-N	2	0	344.459	1.545	20	30		EDEDRP
C#CCNC(=O)[C@@H](C)[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1	ZINC000092821103	527016345	/nfs/dbraw/zinc/01/63/45/527016345.db2.gz	UVVBDXPKSPPRCJ-MRXNPFEDSA-N	2	0	328.460	1.758	20	30		EDEDRP
CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCC[C@H]1c2ccccc2NC1=O	ZINC000245900900	535548536	/nfs/dbraw/zinc/54/85/36/535548536.db2.gz	KRWNALLYQCDZOK-HIFRSBDPSA-N	2	0	329.448	1.501	20	30		EDEDRP
C=C(CC[NH+](C)C)C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C	ZINC000891245973	591015809	/nfs/dbraw/zinc/01/58/09/591015809.db2.gz	LBEQBCDUGZKEBO-GOSISDBHSA-N	2	0	332.492	1.979	20	30		EDEDRP
C[C@@H]1[C@H](Nc2ccc(C#N)c(N[C@H]3CC[NH+](C)[C@@H]3C)n2)CC[N@@H+]1C	ZINC000895737757	591265102	/nfs/dbraw/zinc/26/51/02/591265102.db2.gz	YBJLIXBPUVOUBQ-XOUADPBQSA-N	2	0	328.464	1.962	20	30		EDEDRP
C[C@@H]([NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1)c1cc(C#N)ccn1	ZINC000903018144	592097255	/nfs/dbraw/zinc/09/72/55/592097255.db2.gz	XZXUAQTVGSOPNX-MRXNPFEDSA-N	2	0	343.475	1.400	20	30		EDEDRP
C=C(CC[NH+](C)C)C(=O)NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1	ZINC000901067707	592211698	/nfs/dbraw/zinc/21/16/98/592211698.db2.gz	NKZOXZUVVRREAU-GOSISDBHSA-N	2	0	331.460	1.030	20	30		EDEDRP
N#Cc1ccc(C2([NH2+]C[C@H]3C[C@]4(CC[NH2+]C4)CO3)CCOCC2)cc1	ZINC000903771131	592310916	/nfs/dbraw/zinc/31/09/16/592310916.db2.gz	OVPQIGKKKICFIM-MOPGFXCFSA-N	2	0	341.455	1.922	20	30		EDEDRP
N#Cc1ccc(C2CC[NH+](CCC(=O)N3CC[NH2+]CC3)CC2)cc1	ZINC000903825372	592334661	/nfs/dbraw/zinc/33/46/61/592334661.db2.gz	ZXLSODIFSXCOMZ-UHFFFAOYSA-N	2	0	326.444	1.560	20	30		EDEDRP
CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]C[C@@H](O)CC3(C#N)CC3)C2)[C@@H]1C(C)C	ZINC000905501895	592546074	/nfs/dbraw/zinc/54/60/74/592546074.db2.gz	IENXDIIFJUSBRY-ATIFRJIPSA-N	2	0	335.492	1.501	20	30		EDEDRP
N#CCCC[C@H]([NH3+])C(=O)Nc1ccccc1C(=O)OC1CC[NH2+]CC1	ZINC000818539174	593703946	/nfs/dbraw/zinc/70/39/46/593703946.db2.gz	TVMGOMHMDMOAKM-HNNXBMFYSA-N	2	0	344.415	1.555	20	30		EDEDRP
C=C(C[NH+](C)C)C(=O)NC[C@@H]1CN(Cc2ccc(C)cc2)CCO1	ZINC000826599897	594537104	/nfs/dbraw/zinc/53/71/04/594537104.db2.gz	YHKSIERGBRYKCO-GOSISDBHSA-N	2	0	331.460	1.430	20	30		EDEDRP
C=C(C[NH+](C)C)C(=O)N1CCO[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]21	ZINC000846444746	595234440	/nfs/dbraw/zinc/23/44/40/595234440.db2.gz	WLSGQSUNJHMTQH-RTBURBONSA-N	2	0	343.471	1.606	20	30		EDEDRP
C[NH+]1CCN(c2ccc(C=[NH+]NCCCn3ccnc3)cc2)CC1	ZINC000848419015	595376115	/nfs/dbraw/zinc/37/61/15/595376115.db2.gz	UIAOSAUQFAJNJQ-UHFFFAOYSA-N	2	0	326.448	1.649	20	30		EDEDRP
CN(C)[C@@H](CNC(=O)C#CC1CC[NH2+]CC1)c1c(F)cccc1F	ZINC000852871472	595590642	/nfs/dbraw/zinc/59/06/42/595590642.db2.gz	PDTBQBYMTXBHRH-INIZCTEOSA-N	2	0	335.398	1.687	20	30		EDEDRP
C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)C#CC1CC[NH2+]CC1	ZINC000852884203	595597459	/nfs/dbraw/zinc/59/74/59/595597459.db2.gz	GSSVUPYAKXYBFK-LPHOPBHVSA-N	2	0	325.456	1.626	20	30		EDEDRP
C=CC[NH+]1CCC(NC(=O)N2CCC([NH+]3CCN(C)CC3)CC2)CC1	ZINC000868284938	596765088	/nfs/dbraw/zinc/76/50/88/596765088.db2.gz	ZHNCGIIUPFVCLX-UHFFFAOYSA-N	2	0	349.523	1.058	20	30		EDEDRP
C#CC[C@@H](COC)NC(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@H+]1CC	ZINC000875922038	597036064	/nfs/dbraw/zinc/03/60/64/597036064.db2.gz	AJJRNSAOFDPZIE-DLBZAZTESA-N	2	0	338.496	1.082	20	30		EDEDRP
C=C(Cl)C[C@@H]([NH3+])C(=O)NCC1([NH+]2CCSCC2)CCCC1	ZINC000876728926	597310201	/nfs/dbraw/zinc/31/02/01/597310201.db2.gz	ZKMGFMSFSISCPF-CYBMUJFWSA-N	2	0	331.913	1.934	20	30		EDEDRP
C#CCC1(O)CC[NH+](CC[C@@H](C)[NH+]2CCC(O)(CC#C)CC2)CC1	ZINC000880481247	597942119	/nfs/dbraw/zinc/94/21/19/597942119.db2.gz	PNGSEQLSOQYUPM-GOSISDBHSA-N	2	0	332.488	1.465	20	30		EDEDRP
C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)C1	ZINC000884190010	598020698	/nfs/dbraw/zinc/02/06/98/598020698.db2.gz	SFYKZWLMNXXLAY-UIEBLEIFSA-N	2	0	332.492	1.610	20	30		EDEDRP
N#C[C@H]1C[NH2+]CC12CC(C(=O)N1CCC[C@@H]1C[NH+]1CCCCC1)C2	ZINC000884197568	598024295	/nfs/dbraw/zinc/02/42/95/598024295.db2.gz	XGZHALKWPAZGQG-DHADLLTHSA-N	2	0	330.476	1.603	20	30		EDEDRP
N#C[C@@H]1C[NH2+]CC12CC(C(=O)N1CCC[C@H]([C@H]3CCC[NH2+]C3)C1)C2	ZINC000884294487	598057939	/nfs/dbraw/zinc/05/79/39/598057939.db2.gz	CFGIXZRVQGBUJE-KJQIQPIZSA-N	2	0	330.476	1.364	20	30		EDEDRP
C#CC[NH+]1CCC(NC(=O)NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)CC1	ZINC000914079286	695067561	/nfs/dbraw/zinc/06/75/61/695067561.db2.gz	ZXAVHPFGTNGEOR-IRXDYDNUSA-N	2	0	334.508	1.751	20	30		EDEDRP
C#CC[NH+]1CCC(NC(=O)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)CC1	ZINC000914079285	695067705	/nfs/dbraw/zinc/06/77/05/695067705.db2.gz	ZXAVHPFGTNGEOR-IAGOWNOFSA-N	2	0	334.508	1.751	20	30		EDEDRP
C=CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C(C)(C)C[NH+]3CCOCC3)C[C@H]21	ZINC000992753901	695282538	/nfs/dbraw/zinc/28/25/38/695282538.db2.gz	TXCMNISWADWICP-KZNAEPCWSA-N	2	0	349.519	1.748	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)N2C[C@@H]3CCC[C@H]([NH2+]CC=C)[C@H]3C2)CC1	ZINC000992927408	695458124	/nfs/dbraw/zinc/45/81/24/695458124.db2.gz	UMKSDPLYYPSLJD-FHWLQOOXSA-N	2	0	329.488	1.734	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)N2C[C@@H]3CCC[C@@H]([NH2+]CCC)[C@@H]3C2)CC1	ZINC000992931826	695461347	/nfs/dbraw/zinc/46/13/47/695461347.db2.gz	WMLFBHQNDFFKLF-IPMKNSEASA-N	2	0	331.504	1.958	20	30		EDEDRP
C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@@H]1C	ZINC000993365342	696013793	/nfs/dbraw/zinc/01/37/93/696013793.db2.gz	MNGVGNRKSYSPAW-DLBZAZTESA-N	2	0	347.507	1.994	20	30		EDEDRP
C=C(C)CC[NH+]1CC(N2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)C1	ZINC000941639129	701602943	/nfs/dbraw/zinc/60/29/43/701602943.db2.gz	NAEJMHMBRXPSEP-KRWDZBQOSA-N	2	0	334.508	1.123	20	30		EDEDRP
C=C(C)CC[NH+]1CC(N2CCN(C(=O)C[N@H+]3[C@H](C)CC[C@@H]3C)CC2)C1	ZINC000941677673	701616161	/nfs/dbraw/zinc/61/61/61/701616161.db2.gz	SVRNOJRBOBFNEB-HDICACEKSA-N	2	0	348.535	1.654	20	30		EDEDRP
C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCC1C[NH+](Cc2ccc(C#N)cc2)C1	ZINC001031978243	701995158	/nfs/dbraw/zinc/99/51/58/701995158.db2.gz	QVSUUKOYKAZLPX-KSSFIOAISA-N	2	0	326.444	1.304	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)NCC2C[NH+](C[C@@H](OC)C3CCC3)C2)CC1	ZINC001032207143	702175923	/nfs/dbraw/zinc/17/59/23/702175923.db2.gz	FQHQNPIMPFKYFZ-LJQANCHMSA-N	2	0	347.503	1.195	20	30		EDEDRP
C[N@@H+]1CC[C@H](C(=O)N2C[C@H]([NH2+]Cc3cccc(C#N)c3)C(C)(C)C2)C1	ZINC000996618117	702924928	/nfs/dbraw/zinc/92/49/28/702924928.db2.gz	WJQCLNULAOKRDX-ROUUACIJSA-N	2	0	340.471	1.837	20	30		EDEDRP
C=C(Br)C[NH2+]C1CCN(C(=O)[C@@H](CC)[NH+](C)C)CC1	ZINC000996721288	703016255	/nfs/dbraw/zinc/01/62/55/703016255.db2.gz	YEPLWLDFCNQPDB-CYBMUJFWSA-N	2	0	332.286	1.816	20	30		EDEDRP
C[NH+]1CCC(C(=O)N2CCC([NH2+]Cc3cccc(C#N)c3)CC2)CC1	ZINC000996947744	703217349	/nfs/dbraw/zinc/21/73/49/703217349.db2.gz	WQPLOLCFPXRWMM-UHFFFAOYSA-N	2	0	340.471	1.981	20	30		EDEDRP
N#Cc1ccc(C[NH2+]C2CCN(C(=O)C[NH+]3CCCC3)CC2)s1	ZINC000997306709	703565211	/nfs/dbraw/zinc/56/52/11/703565211.db2.gz	IVNGGHANSFJFPA-UHFFFAOYSA-N	2	0	332.473	1.796	20	30		EDEDRP
CC#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)CC[C@@H]2C1	ZINC000946590662	704197667	/nfs/dbraw/zinc/19/76/67/704197667.db2.gz	GGEHCGPDMVZAJW-OTWHNJEPSA-N	2	0	329.488	1.522	20	30		EDEDRP
C[C@H]1C[N@H+](Cc2cccc(C#N)c2)CC[C@H]1NC(=O)C[NH+]1CCCC1	ZINC000944945216	704798283	/nfs/dbraw/zinc/79/82/83/704798283.db2.gz	QABVQTJNNUMJAQ-QFBILLFUSA-N	2	0	340.471	1.981	20	30		EDEDRP
C#CC[NH2+][C@H]1CN(C(=O)C[N@@H+](C)C2CCC2)CC[C@@H]1C(F)(F)F	ZINC000998264899	705631327	/nfs/dbraw/zinc/63/13/27/705631327.db2.gz	COUMYOCCDBJICI-KBPBESRZSA-N	2	0	331.382	1.473	20	30		EDEDRP
C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2ccc(C#N)cc2F)C1	ZINC000998719633	706152067	/nfs/dbraw/zinc/15/20/67/706152067.db2.gz	HDELFZAKPXHOGK-AEFFLSMTSA-N	2	0	344.434	1.872	20	30		EDEDRP
C=C(C)C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)C1	ZINC000999353884	706842725	/nfs/dbraw/zinc/84/27/25/706842725.db2.gz	OAQSADWQOFKMTN-WMZOPIPTSA-N	2	0	335.492	1.787	20	30		EDEDRP
C#CCN1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2c(C)noc2C)C1	ZINC000999391293	706904489	/nfs/dbraw/zinc/90/44/89/706904489.db2.gz	KCDJJHGIGDMERT-WMZOPIPTSA-N	2	0	344.459	1.470	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)N(C)C2CC([NH2+]CC[C@H]3CCCO3)C2)CC1	ZINC000999871081	707513867	/nfs/dbraw/zinc/51/38/67/707513867.db2.gz	TYOIDMWNBNSLHP-CTWPCTMYSA-N	2	0	347.503	1.480	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CC[C@@H]2CCOC2)CC1	ZINC001032800534	708081007	/nfs/dbraw/zinc/08/10/07/708081007.db2.gz	MEKYAWHUPUBMSX-NEWSRXKRSA-N	2	0	345.487	1.043	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)N(C)[C@H]2CC[N@H+](C[C@@H]3CCCOC3)C2)CC1	ZINC001033689467	708519149	/nfs/dbraw/zinc/51/91/49/708519149.db2.gz	ZJBDDDRYKQHCHL-HKUYNNGSSA-N	2	0	347.503	1.291	20	30		EDEDRP
C=C(C)CC[N@H+]1CC[C@H](N(CC)C(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1	ZINC001033907167	709038637	/nfs/dbraw/zinc/03/86/37/709038637.db2.gz	QSYUMQWBFUXFJL-NRGCRIOASA-N	2	0	347.503	1.739	20	30		EDEDRP
CC#CC[N@@H+]1CCCC[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1	ZINC001034210678	709560833	/nfs/dbraw/zinc/56/08/33/709560833.db2.gz	RYPCNCYXHIMMCJ-MRXNPFEDSA-N	2	0	331.464	1.052	20	30		EDEDRP
C=CCC[NH+]1CCC(N(C)C(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)CC1	ZINC001005743247	711368326	/nfs/dbraw/zinc/36/83/26/711368326.db2.gz	XZTSGCNKCBIVQP-URSIVYNOSA-N	2	0	333.476	1.349	20	30		EDEDRP
CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H](O)COc2ccc(C#N)cc2)[C@@H](C)C1	ZINC000245417224	139073453	/nfs/dbraw/zinc/07/34/53/139073453.db2.gz	FVJZWNBIZVSGFZ-WDYCEAGBSA-N	2	0	331.460	1.960	20	30		EDEDRP
COC[C@H](C)NC(=[NH2+])NCCC[NH+]1CCN(c2cccc(C)c2)CC1	ZINC000264067071	249330232	/nfs/dbraw/zinc/33/02/32/249330232.db2.gz	BPQSTDCEDDBNNJ-KRWDZBQOSA-N	2	0	347.507	1.446	20	30		EDEDRP
CCC(CC)[C@H](CNC(=[NH2+])N1CCN(c2ncccn2)CC1)[NH+](C)C	ZINC000264096309	249333931	/nfs/dbraw/zinc/33/39/31/249333931.db2.gz	LZMOUIWZJRRUSN-INIZCTEOSA-N	2	0	347.511	1.280	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)N2CC[N@H+](C3CCOCC3)C[C@@H]2C)CC1	ZINC000376044027	250283821	/nfs/dbraw/zinc/28/38/21/250283821.db2.gz	APPXYTIXGROPDK-INIZCTEOSA-N	2	0	333.476	1.043	20	30		EDEDRP
C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CCC2(C[C@H]2C[N@H+](C)C2CC2)CC1	ZINC000374318884	250258910	/nfs/dbraw/zinc/25/89/10/250258910.db2.gz	SXWIMLRQVLFMAK-GJZGRUSLSA-N	2	0	348.491	1.583	20	30		EDEDRP
C=CC[NH+](CC=C)[C@H](CNC(=O)[C@@]1(CCOC)CC[NH2+]C1)C(C)C	ZINC000378200956	250298115	/nfs/dbraw/zinc/29/81/15/250298115.db2.gz	CYLOPJPOKIOLDP-IEBWSBKVSA-N	2	0	337.508	1.817	20	30		EDEDRP
N#Cc1ccc(CN2CCC([NH2+]CCCN3CC[NH2+]CC3)CC2)cc1	ZINC000423192027	270012173	/nfs/dbraw/zinc/01/21/73/270012173.db2.gz	VDSJXUBNUVYFSK-UHFFFAOYSA-N	2	0	341.503	1.408	20	30		EDEDRP
C[NH+](C)C1CCN(CC[NH2+][C@@H]2CCC[C@@H]3O[C@H](CC#N)C[C@@H]32)CC1	ZINC000373193298	289069339	/nfs/dbraw/zinc/06/93/39/289069339.db2.gz	XHTLXCRTYHRWAI-MKXGPGLRSA-N	2	0	334.508	1.842	20	30		EDEDRP
CC[NH+]=C(NC[C@@H](O)c1cccc(F)c1)N1CC[C@H]([NH+]2CC=CC2)C1	ZINC000153476694	442284767	/nfs/dbraw/zinc/28/47/67/442284767.db2.gz	GMZAQLLDFMXMFN-ZWKOTPCHSA-N	2	0	346.450	1.771	20	30		EDEDRP
N#Cc1ccc(NC(=O)CC[N@@H+]2CC[C@H](CN3CCOCC3)C2)cc1	ZINC000129136215	442302570	/nfs/dbraw/zinc/30/25/70/442302570.db2.gz	ZDTKZSMURIMKHY-KRWDZBQOSA-N	2	0	342.443	1.541	20	30		EDEDRP
COc1ccc(C[NH2+]CCCN2CCC[C@@H]2C(=O)N(C)C)cc1C#N	ZINC000266200277	443054886	/nfs/dbraw/zinc/05/48/86/443054886.db2.gz	KUXFOTXPUXMEPU-QGZVFWFLSA-N	2	0	344.459	1.599	20	30		EDEDRP
C[NH+]=C(NCC(=O)Nc1ccccc1)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C	ZINC000261824647	443170969	/nfs/dbraw/zinc/17/09/69/443170969.db2.gz	UXEWPFFMFGWTNR-XJKSGUPXSA-N	2	0	329.448	1.273	20	30		EDEDRP
C=CC[N@@H+](CCC(=O)N1CC[NH2+]CC1)Cc1cccc([N+](=O)[O-])c1	ZINC000262089809	443183343	/nfs/dbraw/zinc/18/33/43/443183343.db2.gz	LHUIMYNYWLALRI-UHFFFAOYSA-N	2	0	332.404	1.405	20	30		EDEDRP
C[NH+]=C(NCC1([NH+](C)C)CCOCC1)N[C@@H]1CCc2ccccc2C1	ZINC000262426677	443194011	/nfs/dbraw/zinc/19/40/11/443194011.db2.gz	HWYQKIOVTDATAW-GOSISDBHSA-N	2	0	344.503	1.820	20	30		EDEDRP
CC[NH+]=C(NC[C@H]1C[NH+]2CCN1CC2)N[C@H]1CCOc2ccccc21	ZINC000262817344	443214031	/nfs/dbraw/zinc/21/40/31/443214031.db2.gz	WYTTVKHRGZMLML-RDJZCZTQSA-N	2	0	343.475	1.065	20	30		EDEDRP
CC(C)(CNC(=[NH2+])NCCCN1CCOCC1)Cc1ccccc1	ZINC000267424107	443452591	/nfs/dbraw/zinc/45/25/91/443452591.db2.gz	LCRCOTLVZARLAU-UHFFFAOYSA-N	2	0	332.492	1.882	20	30		EDEDRP
C[C@H]1C[NH+]=C(NCCCOC2CC[NH+](Cc3ccccc3)CC2)N1	ZINC000285028404	443828260	/nfs/dbraw/zinc/82/82/60/443828260.db2.gz	JTCTUAOTDOETMW-INIZCTEOSA-N	2	0	330.476	1.995	20	30		EDEDRP
O=C(N[C@H]1CC[N@@H+](C2CC2)C1)N1CCN(Cc2ccccn2)CC1	ZINC000328709963	444437036	/nfs/dbraw/zinc/43/70/36/444437036.db2.gz	FYXFSRAIMDEKGB-INIZCTEOSA-N	2	0	329.448	1.350	20	30		EDEDRP
CN(C)c1ncc(CN2CC[C@H](Oc3ccc(C#N)cn3)C2)n1C	ZINC000581663296	322205543	/nfs/dbraw/zinc/20/55/43/322205543.db2.gz	MQUZFXUOKYERHV-HNNXBMFYSA-N	2	0	326.404	1.406	20	30		EDEDRP
C[N@H+](CCO)C1CCN(C(=O)NC2CC[NH+](CC3CC3)CC2)CC1	ZINC000330151872	444864598	/nfs/dbraw/zinc/86/45/98/444864598.db2.gz	LRQNBOXZXZHOAU-UHFFFAOYSA-N	2	0	338.496	1.163	20	30		EDEDRP
COC[C@@]1(C[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)CCC[NH2+]1	ZINC000423419836	446526319	/nfs/dbraw/zinc/52/63/19/446526319.db2.gz	WKQCCCMGSNJPLR-IBGZPJMESA-N	2	0	328.460	1.885	20	30		EDEDRP
COC[C@@]1(CNC2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCC[NH2+]1	ZINC000423421222	446528043	/nfs/dbraw/zinc/52/80/43/446528043.db2.gz	XTXNEVRJWJGODE-FQEVSTJZSA-N	2	0	342.487	1.881	20	30		EDEDRP
CC[NH2+][C@H](C)CNC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1	ZINC000418591089	446605243	/nfs/dbraw/zinc/60/52/43/446605243.db2.gz	MNMNWKSGRYSWNP-OAHLLOKOSA-N	2	0	331.464	1.629	20	30		EDEDRP
C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1	ZINC000487238963	447828541	/nfs/dbraw/zinc/82/85/41/447828541.db2.gz	IECQLRSFTREJBP-SJLPKXTDSA-N	2	0	340.471	1.859	20	30		EDEDRP
C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCCOc1ccc(C#N)cc1	ZINC000525306942	447994337	/nfs/dbraw/zinc/99/43/37/447994337.db2.gz	BNTFIORUMATRNC-UHFFFAOYSA-N	2	0	347.463	1.072	20	30		EDEDRP
C[C@@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)C1CC[NH+](C)CC1	ZINC000591739756	448479572	/nfs/dbraw/zinc/47/95/72/448479572.db2.gz	ZIPFAKSNHFOXER-CYBMUJFWSA-N	2	0	336.461	1.047	20	30		EDEDRP
CSC1(C[NH2+]C[C@@H](O)COc2ccc(C#N)cc2)CC[NH+](C)CC1	ZINC000591766724	448486288	/nfs/dbraw/zinc/48/62/88/448486288.db2.gz	AWRLRHDEFDXHDG-MRXNPFEDSA-N	2	0	349.500	1.715	20	30		EDEDRP
C[C@H](CC1(C#N)CCOCC1)[NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1	ZINC000602543920	449663707	/nfs/dbraw/zinc/66/37/07/449663707.db2.gz	MTWXONSZYVEYNL-CVEARBPZSA-N	2	0	336.480	1.262	20	30		EDEDRP
N#CCCCC[C@@H]([NH3+])C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1	ZINC000595256341	449979734	/nfs/dbraw/zinc/97/97/34/449979734.db2.gz	NFGBYNVBMBWSHZ-BRWVUGGUSA-N	2	0	332.423	1.799	20	30		EDEDRP
C=CC[C@H]1CCC[NH+](CC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)C1	ZINC000661376370	453802584	/nfs/dbraw/zinc/80/25/84/453802584.db2.gz	BFWNSJHDRCCECL-ZWKOTPCHSA-N	2	0	337.508	1.748	20	30		EDEDRP
C#CCNC(=O)[C@H](C)[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1	ZINC000092821102	527024331	/nfs/dbraw/zinc/02/43/31/527024331.db2.gz	UVVBDXPKSPPRCJ-INIZCTEOSA-N	2	0	328.460	1.758	20	30		EDEDRP
CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H]1CCN(C)c2ccccc21	ZINC000245899403	535596967	/nfs/dbraw/zinc/59/69/67/535596967.db2.gz	JUFQIVAHQZYKAM-CVEARBPZSA-N	2	0	329.492	1.999	20	30		EDEDRP
C=C(CC[NH+](C)C)C(=O)N1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1	ZINC000907570646	592715412	/nfs/dbraw/zinc/71/54/12/592715412.db2.gz	LAZHLKJLSMXDIZ-SFHVURJKSA-N	2	0	330.476	1.870	20	30		EDEDRP
C=C(C[NH+](C)C)C(=O)NC1CC[NH+](Cc2cccc(OC)c2)CC1	ZINC000912346144	593087771	/nfs/dbraw/zinc/08/77/71/593087771.db2.gz	COGYLJWMVGZAQJ-UHFFFAOYSA-N	2	0	331.460	1.894	20	30		EDEDRP
C[NH+](C)CCN1c2ccccc2C(=NNCC[NH+]2CCCCC2)C1=O	ZINC000807964334	593212767	/nfs/dbraw/zinc/21/27/67/593212767.db2.gz	DWLBFNSZJPLVFH-UHFFFAOYSA-N	2	0	343.475	1.374	20	30		EDEDRP
N#CCCC[C@H]([NH3+])C(=O)Nc1cccc(C(=O)OC2CC[NH2+]CC2)c1	ZINC000818537496	593703899	/nfs/dbraw/zinc/70/38/99/593703899.db2.gz	OFNZDKOXCPETNC-INIZCTEOSA-N	2	0	344.415	1.555	20	30		EDEDRP
CC(C)[C@@H](C[NH2+]C[C@@H](O)c1ccc(C#N)cc1)N1CC[NH+](C)CC1	ZINC000819058994	593736485	/nfs/dbraw/zinc/73/64/85/593736485.db2.gz	AXICHNAUCHMVRX-RTBURBONSA-N	2	0	330.476	1.453	20	30		EDEDRP
C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1ccc2c(C#N)c[nH]c2c1	ZINC000865177866	596501967	/nfs/dbraw/zinc/50/19/67/596501967.db2.gz	NMBULHXEKDAYCG-UHFFFAOYSA-N	2	0	327.432	1.605	20	30		EDEDRP
CON=Cc1ccc(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)cc1	ZINC000870024001	596714182	/nfs/dbraw/zinc/71/41/82/596714182.db2.gz	GEYBYQSHBBSJQO-QZTJIDSGSA-N	2	0	346.475	1.478	20	30		EDEDRP
C#C[C@H]1CC[C@H](NC(=O)N(C)[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)CC1	ZINC000876442816	597206628	/nfs/dbraw/zinc/20/66/28/597206628.db2.gz	VDWYYEHNFBFQGJ-LNLFQRSKSA-N	2	0	346.519	1.988	20	30		EDEDRP
C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@@H](c1cccc(OC)c1)[NH+](C)C	ZINC000876708905	597297130	/nfs/dbraw/zinc/29/71/30/597297130.db2.gz	DIGCAYXDXBDOCM-CABCVRRESA-N	2	0	325.840	1.884	20	30		EDEDRP
N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)NC1CC[NH+](CC2CC2)CC1	ZINC000876727407	597308528	/nfs/dbraw/zinc/30/85/28/597308528.db2.gz	JKSLYSNLHJBBNX-LJQANCHMSA-N	2	0	338.455	1.736	20	30		EDEDRP
C=C(Cl)C[C@@H]([NH3+])C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1	ZINC000876775577	597335244	/nfs/dbraw/zinc/33/52/44/597335244.db2.gz	YNUFHIOWURSZFY-OAHLLOKOSA-N	2	0	343.899	1.855	20	30		EDEDRP
C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@@H]3[NH2+]CCc4cc(C#N)ccc43)CC[C@@H]21	ZINC000876900548	597377433	/nfs/dbraw/zinc/37/74/33/597377433.db2.gz	KZGUFMSSQQPAKV-NZSAHSFTSA-N	2	0	338.455	1.688	20	30		EDEDRP
CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)C1	ZINC000876955958	597396298	/nfs/dbraw/zinc/39/62/98/597396298.db2.gz	CUQQDNVNTGHMFW-MAUKXSAKSA-N	2	0	340.471	1.982	20	30		EDEDRP
C#CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C3CC[NH+](CC#C)CC3)C[C@@H]21	ZINC000992927300	695458156	/nfs/dbraw/zinc/45/81/56/695458156.db2.gz	SQGAIDQADNSYNL-GBESFXJTSA-N	2	0	327.472	1.182	20	30		EDEDRP
C=CCC[NH+]1CC(N2CCN(C(=O)[C@@H]3CCC[C@@H]4CCC[N@@H+]43)CC2)C1	ZINC000941602821	701593269	/nfs/dbraw/zinc/59/32/69/701593269.db2.gz	AGUBGXZHEAOWFO-MJGOQNOKSA-N	2	0	346.519	1.408	20	30		EDEDRP
C[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1[NH2+]Cc1cccc(C#N)c1	ZINC000939542987	699683816	/nfs/dbraw/zinc/68/38/16/699683816.db2.gz	AYWJUCZWMNHXQO-MAUKXSAKSA-N	2	0	338.455	1.591	20	30		EDEDRP
C=CCC[NH+]1CC(N2CCN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)CC2)C1	ZINC000941677077	701615704	/nfs/dbraw/zinc/61/57/04/701615704.db2.gz	JXEXPILLSLXOCS-IBGZPJMESA-N	2	0	348.535	1.511	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+]([C@H](C)COC)CC2(C)C)CC1	ZINC000941236847	701427585	/nfs/dbraw/zinc/42/75/85/701427585.db2.gz	BOHMDDJJEBCQIA-AEFFLSMTSA-N	2	0	349.519	1.583	20	30		EDEDRP
C#CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1	ZINC001032408730	703436154	/nfs/dbraw/zinc/43/61/54/703436154.db2.gz	FASKFSMWNDCQJE-OKYOBFRVSA-N	2	0	345.487	1.042	20	30		EDEDRP
C[N@@H+]1CC[C@H](C(=O)N2CCC([NH2+]Cc3cc(C#N)ccc3F)CC2)C1	ZINC000997296808	703555411	/nfs/dbraw/zinc/55/54/11/703555411.db2.gz	BZBVXBPELDSXNH-HNNXBMFYSA-N	2	0	344.434	1.730	20	30		EDEDRP
C[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]([NH2+]Cc2cccc(C#N)c2)C(C)(C)C1	ZINC000995550094	703929090	/nfs/dbraw/zinc/92/90/90/703929090.db2.gz	HUPOQAPXUPZEAK-ROUUACIJSA-N	2	0	340.471	1.979	20	30		EDEDRP
C=CCC[NH+]1CCC([C@H](C)NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)CC1	ZINC000997691981	704564889	/nfs/dbraw/zinc/56/48/89/704564889.db2.gz	PJIDYXIAQIYBAI-GBJJWRMUSA-N	2	0	347.503	1.642	20	30		EDEDRP
C#CCC[N@H+]1CCC[C@@]2(CCN(C(=O)COC3CC[NH+](C)CC3)C2)C1	ZINC001040475563	705580952	/nfs/dbraw/zinc/58/09/52/705580952.db2.gz	RUXVJTCKLUFNOL-HXUWFJFHSA-N	2	0	347.503	1.435	20	30		EDEDRP
C=C(C)CC[NH+]1CC[C@@H](n2cc(CNC(=O)[C@H]3CCC[N@H+]3C)nn2)C1	ZINC000999964189	707629868	/nfs/dbraw/zinc/62/98/68/707629868.db2.gz	VXIYXAFDCZJNRE-IAGOWNOFSA-N	2	0	346.479	1.202	20	30		EDEDRP
C=CCC[NH+]1CC[C@H](n2cc(CNC(=O)[C@@H]3CCCC[N@H+]3C)nn2)C1	ZINC000999995180	707673518	/nfs/dbraw/zinc/67/35/18/707673518.db2.gz	DRYYFTOEZVAMNR-IRXDYDNUSA-N	2	0	346.479	1.202	20	30		EDEDRP
C=C(C)CC[N@H+]1CC[C@@H](N(C)C(=O)c2cnn(CC[NH+](C)C)c2)C1	ZINC001033488953	707982866	/nfs/dbraw/zinc/98/28/66/707982866.db2.gz	BJIRAAWXWPGXTP-QGZVFWFLSA-N	2	0	333.480	1.557	20	30		EDEDRP
C=C(C)C[N@@H+]1CCCC[C@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1	ZINC001034319528	709769024	/nfs/dbraw/zinc/76/90/24/709769024.db2.gz	IKHLOMXNQIQJAQ-DHADLLTHSA-N	2	0	333.476	1.396	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)N[C@H]2CCCC[N@@H+](C[C@@H](C)OC)C2)CC1	ZINC001034538357	710211225	/nfs/dbraw/zinc/21/12/25/710211225.db2.gz	MTOAJIDLHGGYCU-AEFFLSMTSA-N	2	0	335.492	1.337	20	30		EDEDRP
C=CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)CC1	ZINC001034648943	710325681	/nfs/dbraw/zinc/32/56/81/710325681.db2.gz	WUCANIOPQGNCRR-MKXGPGLRSA-N	2	0	349.519	1.936	20	30		EDEDRP
C#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)C23CCC[NH+]2CCC3)CC1	ZINC001004483965	711875383	/nfs/dbraw/zinc/87/53/83/711875383.db2.gz	WKONXBXYKNIMPU-SFHVURJKSA-N	2	0	329.488	1.951	20	30		EDEDRP
C=CCC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC[NH+]2C2CCOCC2)C1	ZINC001033144055	711972783	/nfs/dbraw/zinc/97/27/83/711972783.db2.gz	QIWLTSGDKVITQE-MSOLQXFVSA-N	2	0	335.492	1.739	20	30		EDEDRP
C#CC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3CC(C)C)CC[C@@H]2C1	ZINC000946657343	712246970	/nfs/dbraw/zinc/24/69/70/712246970.db2.gz	GTUXWDDZIIIRKQ-OTWHNJEPSA-N	2	0	331.504	1.910	20	30		EDEDRP
COc1ccc(CNC(=[NH2+])NC[C@H]2CC[N@@H+](C3CC3)C2)cc1OC	ZINC000264072944	249330708	/nfs/dbraw/zinc/33/07/08/249330708.db2.gz	DQFOJRARCKOUFN-CQSZACIVSA-N	2	0	332.448	1.592	20	30		EDEDRP
C[C@@H]1C[C@@H](C)CN(C(=O)CON=C(N)c2ccc(C[NH+](C)C)cc2)C1	ZINC000266995005	249354233	/nfs/dbraw/zinc/35/42/33/249354233.db2.gz	DJSINJGJHGTWFK-HUUCEWRRSA-N	2	0	346.475	1.890	20	30		EDEDRP
C[NH2+]CCCc1[nH]nc(NC(=O)[C@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)c1C#N	ZINC000089674792	287321976	/nfs/dbraw/zinc/32/19/76/287321976.db2.gz	IPWCPUJFDKREGH-XQQFMLRXSA-N	2	0	332.452	1.633	20	30		EDEDRP
CC[C@@H]([NH2+]CCCC[NH+]1CCN(CCO)CC1)c1ccc(C#N)cc1	ZINC000447525769	267194881	/nfs/dbraw/zinc/19/48/81/267194881.db2.gz	BNPSCAUTZLBOAN-HXUWFJFHSA-N	2	0	344.503	1.989	20	30		EDEDRP
N#Cc1ccc(C[N@H+]2CCCN(C(=O)NCC3([NH3+])CCC3)CC2)cc1	ZINC000418530641	268218010	/nfs/dbraw/zinc/21/80/10/268218010.db2.gz	VIEMREKPMCQTDI-UHFFFAOYSA-N	2	0	341.459	1.657	20	30		EDEDRP
C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCC(C[NH+]2CCOCC2)CC1	ZINC000051959455	441429791	/nfs/dbraw/zinc/42/97/91/441429791.db2.gz	FKYMMRBVTMISEG-QGZVFWFLSA-N	2	0	337.508	1.844	20	30		EDEDRP
C[NH+]=C(NCc1cn2ccccc2n1)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C	ZINC000261864902	443172849	/nfs/dbraw/zinc/17/28/49/443172849.db2.gz	ZVNJINNVFNUABW-CZUORRHYSA-N	2	0	326.448	1.482	20	30		EDEDRP
CNC(=O)C(C)(C)CNC(=[NH+]C)N1CC[C@@H](C)[C@H](n2ccnc2)C1	ZINC000261987887	443178337	/nfs/dbraw/zinc/17/83/37/443178337.db2.gz	QNXZGZOQASUFTD-ZIAGYGMSSA-N	2	0	334.468	1.114	20	30		EDEDRP
CC[NH+]=C(NC[C@@H](O)c1ccc(F)cc1)N1CC[C@H]([NH+]2CC=CC2)C1	ZINC000262815935	443213797	/nfs/dbraw/zinc/21/37/97/443213797.db2.gz	WNJADTTWXJUHSA-ZWKOTPCHSA-N	2	0	346.450	1.771	20	30		EDEDRP
CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H](O)c1cc(F)cc(Cl)c1	ZINC000278637607	443385608	/nfs/dbraw/zinc/38/56/08/443385608.db2.gz	YWBSWHYOPWNXBH-GJZGRUSLSA-N	2	0	342.846	1.901	20	30		EDEDRP
C=CCN1CC[C@@H]([N@@H+](C)C[C@@H]2CCCN(C)[C@H]2c2ccnn2C)C1=O	ZINC000286755688	443724475	/nfs/dbraw/zinc/72/44/75/443724475.db2.gz	LZQSXKJUTZRMOG-CGTJXYLNSA-N	2	0	345.491	1.522	20	30		EDEDRP
CC[NH2+]CCCNC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1	ZINC000579453393	321936324	/nfs/dbraw/zinc/93/63/24/321936324.db2.gz	JENHJQQDSUVUDY-UHFFFAOYSA-N	2	0	331.464	1.631	20	30		EDEDRP
CC(C)[C@H]1CN(CC#CCN2CC[N@H+](C)[C@@H](C(C)C)C2)CC[NH+]1C	ZINC000342127295	444522648	/nfs/dbraw/zinc/52/26/48/444522648.db2.gz	KLGOUDOGGGNTJP-WOJBJXKFSA-N	2	0	334.552	1.534	20	30		EDEDRP
CC[NH+]1CCN(c2ccc(C[NH2+]Cc3cc(C#N)n(C)c3)cn2)CC1	ZINC000359948706	445501260	/nfs/dbraw/zinc/50/12/60/445501260.db2.gz	CQPDTUCHTIOCMW-UHFFFAOYSA-N	2	0	338.459	1.723	20	30		EDEDRP
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NC[C@@H]1CCC[NH2+]1	ZINC000418353818	446512376	/nfs/dbraw/zinc/51/23/76/446512376.db2.gz	AVFHBDVKNWBTKP-KRWDZBQOSA-N	2	0	329.448	1.383	20	30		EDEDRP
CN1CCN(C2CCN(CC#Cc3ccc(Cl)cc3)CC2)C(=O)C1	ZINC000371638247	446941364	/nfs/dbraw/zinc/94/13/64/446941364.db2.gz	PNWKYSKXEIMIQB-UHFFFAOYSA-N	2	0	345.874	1.930	20	30		EDEDRP
CC[NH+]1CCN(CC(C)(C)[NH2+]CC(=O)N[C@@](C)(C#N)C(C)C)CC1	ZINC000451991895	447797374	/nfs/dbraw/zinc/79/73/74/447797374.db2.gz	TVLOPOODXREPND-SFHVURJKSA-N	2	0	337.512	1.047	20	30		EDEDRP
C#CCN1CCN(C(=O)CN[C@@H](C)c2c(F)cccc2OC)CC1	ZINC000490913503	447908477	/nfs/dbraw/zinc/90/84/77/447908477.db2.gz	DIFDQXHGRYIZCJ-AWEZNQCLSA-N	2	0	333.407	1.262	20	30		EDEDRP
C#CCNC(=O)CC[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1	ZINC000491495317	448043844	/nfs/dbraw/zinc/04/38/44/448043844.db2.gz	IKXMJXIZGOCVIF-OALUTQOASA-N	2	0	325.456	1.580	20	30		EDEDRP
CN(CCC#N)C[C@@H](O)C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2)C1	ZINC000591729031	448475523	/nfs/dbraw/zinc/47/55/23/448475523.db2.gz	UNANOIWYZOFAAW-PMACEKPBSA-N	2	0	344.503	1.695	20	30		EDEDRP
C[C@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)C1CC[NH+](C)CC1	ZINC000591739757	448478519	/nfs/dbraw/zinc/47/85/19/448478519.db2.gz	ZIPFAKSNHFOXER-ZDUSSCGKSA-N	2	0	336.461	1.047	20	30		EDEDRP
CC[NH+]1CCN(c2ccccc2NC(=O)[C@H]([NH3+])CCCC#N)CC1	ZINC000578445391	448546694	/nfs/dbraw/zinc/54/66/94/448546694.db2.gz	AIYSOZZDRUBKCG-OAHLLOKOSA-N	2	0	329.448	1.788	20	30		EDEDRP
C[C@H](C[NH3+])N(C)C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000593722723	449160052	/nfs/dbraw/zinc/16/00/52/449160052.db2.gz	YKGPSRNNLNZOSE-CQSZACIVSA-N	2	0	329.448	1.511	20	30		EDEDRP
C[NH+]1CCN(C[C@H]([NH2+]C[C@H](O)CC(C)(C)C#N)c2ccccc2)CC1	ZINC000598720245	449562059	/nfs/dbraw/zinc/56/20/59/449562059.db2.gz	MRNQPKIHXGNBRC-MOPGFXCFSA-N	2	0	344.503	1.865	20	30		EDEDRP
C=CCCOCC(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1	ZINC000643606709	452332660	/nfs/dbraw/zinc/33/26/60/452332660.db2.gz	FHBWAZVULMSAJR-UHFFFAOYSA-N	2	0	331.460	1.689	20	30		EDEDRP
C=CC[C@]1(C(=O)N2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)CCC[NH2+]1	ZINC000662701319	453422364	/nfs/dbraw/zinc/42/23/64/453422364.db2.gz	OLXTVFGKMCRBRX-CMKODMSKSA-N	2	0	348.535	1.702	20	30		EDEDRP
CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCCc1nc2ccccc2[nH]1	ZINC000104171602	529070477	/nfs/dbraw/zinc/07/04/77/529070477.db2.gz	NALFNVKLZVFWAZ-CQSZACIVSA-N	2	0	328.464	1.884	20	30		EDEDRP
C[NH+](C)C1(CNC(=[NH2+])N2CCN(c3ncccn3)CC2)CCCCC1	ZINC000264098830	536111793	/nfs/dbraw/zinc/11/17/93/536111793.db2.gz	MMOLHZGUFCJTAD-UHFFFAOYSA-N	2	0	345.495	1.178	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)N(C)c2ccc(OCC[NH+](C)C)cc2)CC1	ZINC000732003908	578687106	/nfs/dbraw/zinc/68/71/06/578687106.db2.gz	OLHJTDRNBHDNJY-UHFFFAOYSA-N	2	0	343.471	1.935	20	30		EDEDRP
C=C(C[NH+](C)C)C(=O)NCc1cccc(OCCN2CCOCC2)c1	ZINC000764444249	580120076	/nfs/dbraw/zinc/12/00/76/580120076.db2.gz	SIINQIJRQISWTM-UHFFFAOYSA-N	2	0	347.459	1.132	20	30		EDEDRP
Cc1c(C[C@@H](C[NH3+])C[N@H+](C)CCc2cccc(C#N)c2)cnn1C	ZINC000903937069	592387495	/nfs/dbraw/zinc/38/74/95/592387495.db2.gz	AOZIMDGUCWFPIK-SFHVURJKSA-N	2	0	325.460	1.892	20	30		EDEDRP
C#CCN1CCC[C@H]([NH2+]C[C@@H](O)CN2CCc3ccccc3C2)C1	ZINC000905461256	592541792	/nfs/dbraw/zinc/54/17/92/592541792.db2.gz	PLMQTWNDYSFWCR-VQTJNVASSA-N	2	0	327.472	1.093	20	30		EDEDRP
C=C[C@@H](C)ONC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1	ZINC000845639756	595036993	/nfs/dbraw/zinc/03/69/93/595036993.db2.gz	DFMNWDYFHXZBIC-OAHLLOKOSA-N	2	0	333.436	1.399	20	30		EDEDRP
N#CCCC[C@H]([NH3+])C(=O)Nc1ccccc1C(=O)OC[C@@H]1CCC[NH2+]1	ZINC000843334055	595078357	/nfs/dbraw/zinc/07/83/57/595078357.db2.gz	DLFHMRGVFYCVHK-ZFWWWQNUSA-N	2	0	344.415	1.555	20	30		EDEDRP
C[NH+](C)CCCOc1cccc(NC(=O)C#CC2CC[NH2+]CC2)c1	ZINC000852868355	595587965	/nfs/dbraw/zinc/58/79/65/595587965.db2.gz	QWUOENRTODUGOM-UHFFFAOYSA-N	2	0	329.444	1.959	20	30		EDEDRP
C[NH+](C)C[C@@H]1CN(C(=O)Cc2ccc(C#N)cc2)C[C@H]1C[NH+](C)C	ZINC000870022865	596713245	/nfs/dbraw/zinc/71/32/45/596713245.db2.gz	BDLNKLVDZZWRQS-QZTJIDSGSA-N	2	0	328.460	1.299	20	30		EDEDRP
Cc1cc(N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c(C#N)cc1[N+](=O)[O-]	ZINC000866011279	596756927	/nfs/dbraw/zinc/75/69/27/596756927.db2.gz	YBYAIAQMSXRREU-HZPDHXFCSA-N	2	0	345.447	1.951	20	30		EDEDRP
C[NH+]=C(NCc1c(C)nn(C)c1C)N1CC[C@@H](C[NH+]2CCCC2)C1	ZINC000125101001	597135005	/nfs/dbraw/zinc/13/50/05/597135005.db2.gz	RZRHUSDYFHDQBQ-INIZCTEOSA-N	2	0	332.496	1.530	20	30		EDEDRP
C=C(Br)CNC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1	ZINC000875161708	597308324	/nfs/dbraw/zinc/30/83/24/597308324.db2.gz	WTDVXXYGIDSGAA-CHWSQXEVSA-N	2	0	347.301	1.276	20	30		EDEDRP
CC(C)C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)C1	ZINC000876762315	597328936	/nfs/dbraw/zinc/32/89/36/597328936.db2.gz	FSORQBHFKYOIFN-VQIMIIECSA-N	2	0	340.471	1.839	20	30		EDEDRP
N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N1CCN(c2cc[nH+]cc2)CC1	ZINC000876779961	597338005	/nfs/dbraw/zinc/33/80/05/597338005.db2.gz	PJVBXYJNFFHPAK-IBGZPJMESA-N	2	0	347.422	1.489	20	30		EDEDRP
CCC1([NH+]2CCCC2)CCN(C(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)CC1	ZINC000884454750	598110230	/nfs/dbraw/zinc/11/02/30/598110230.db2.gz	VNFVUZPXPRPWKW-TVRKMHQQSA-N	2	0	344.503	1.993	20	30		EDEDRP
C#CC[NH+]1CCC(NC(=O)NC[C@@]2([NH+](C)C)CCC[C@H](C)C2)CC1	ZINC000914314315	695351794	/nfs/dbraw/zinc/35/17/94/695351794.db2.gz	RIBFVNOHKKWRFE-QFBILLFUSA-N	2	0	334.508	1.894	20	30		EDEDRP
C#CC[NH+]1CCC(NC(=O)NC[C@@H](c2ccc(C)cc2)[NH+](C)C)CC1	ZINC000915072433	695731507	/nfs/dbraw/zinc/73/15/07/695731507.db2.gz	CDUZJYOCWHOXEP-IBGZPJMESA-N	2	0	342.487	1.995	20	30		EDEDRP
C=CCC[NH+]1CC(N2CCN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)CC2)C1	ZINC000941502333	701561624	/nfs/dbraw/zinc/56/16/24/701561624.db2.gz	QIUBKNZSKAOTJW-IBGZPJMESA-N	2	0	346.519	1.265	20	30		EDEDRP
C=C(Cl)C[NH2+][C@H]1CN(C(=O)c2cnn(CC[NH+](C)C)c2)C[C@H]1C	ZINC000939291793	699479226	/nfs/dbraw/zinc/47/92/26/699479226.db2.gz	IHCWOAFERAYYTL-DOMZBBRYSA-N	2	0	339.871	1.247	20	30		EDEDRP
C=CCC[NH+]1CC(N2CCN(C(=O)[C@H]3CCC[C@@H]([NH+](C)C)C3)CC2)C1	ZINC000941636790	701602118	/nfs/dbraw/zinc/60/21/18/701602118.db2.gz	UAGWURIWJVKZNW-ZWKOTPCHSA-N	2	0	348.535	1.511	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)N2C[C@H]([NH2+]Cc3cnc(C)o3)[C@@H](C)C2)CC1	ZINC000939810408	699958735	/nfs/dbraw/zinc/95/87/35/699958735.db2.gz	MYPYUXFLRYRDSG-KSSFIOAISA-N	2	0	344.459	1.265	20	30		EDEDRP
CC#CC[N@@H+]1CC[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C(C)(C)C1	ZINC000940751177	700889413	/nfs/dbraw/zinc/88/94/13/700889413.db2.gz	NBAABBDBQLGCMD-KRWDZBQOSA-N	2	0	345.491	1.298	20	30		EDEDRP
C=C(C)CC[NH+]1CCC2(CCN(C(=O)[C@@H]3CN(CC)CCO3)C2)CC1	ZINC001040944981	702199184	/nfs/dbraw/zinc/19/91/84/702199184.db2.gz	KYZLXZIPMJLSFM-SFHVURJKSA-N	2	0	349.519	1.988	20	30		EDEDRP
CC#CC[N@@H+]1CC[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)[C@@H](C)C1	ZINC000942445948	702941845	/nfs/dbraw/zinc/94/18/45/702941845.db2.gz	YRHZFWQWIJRMGW-RDJZCZTQSA-N	2	0	337.427	1.731	20	30		EDEDRP
C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1CCC([NH2+]Cc2ccccc2C#N)CC1	ZINC000997004189	703261303	/nfs/dbraw/zinc/26/13/03/703261303.db2.gz	BXIFALVDUUPYMP-DNVCBOLYSA-N	2	0	340.471	1.837	20	30		EDEDRP
C#CC[NH2+][C@@H]1CN(C(=O)C(C)(C)c2cnc[nH]2)CC[C@H]1C(F)(F)F	ZINC000998303611	705706169	/nfs/dbraw/zinc/70/61/69/705706169.db2.gz	MDEXBSGBPMRDAM-VXGBXAGGSA-N	2	0	342.365	1.690	20	30		EDEDRP
C=C(C)C[N@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CN(C(C)C)CCO2)CC1	ZINC000948706057	707509513	/nfs/dbraw/zinc/50/95/13/707509513.db2.gz	STKCFDSWIDEZII-MSOLQXFVSA-N	2	0	337.508	1.985	20	30		EDEDRP
CN(C(=O)[C@H]1CC[NH+](C)C1)[C@@H]1CC[N@H+](Cc2cccc(C#N)c2)C1	ZINC001033661586	708474827	/nfs/dbraw/zinc/47/48/27/708474827.db2.gz	LSKTWGUUDXMUQV-ZWKOTPCHSA-N	2	0	326.444	1.543	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)N(C)[C@H]2CC[N@@H+](C[C@H](CC)OC)C2)CC1	ZINC001033686062	708500367	/nfs/dbraw/zinc/50/03/67/708500367.db2.gz	ZGNVQTGMYDFIHT-ROUUACIJSA-N	2	0	335.492	1.289	20	30		EDEDRP
COC(=O)C[C@H]1CCC[N@@H+]1CC#CC[NH+]1CCC[C@H]1CC(=O)OC	ZINC000341900541	250002022	/nfs/dbraw/zinc/00/20/22/250002022.db2.gz	ASDNUZLFIMHQHF-IYBDPMFKSA-N	2	0	336.432	1.045	20	30		EDEDRP
C[NH+](C)CCC(=O)Nc1ccc(NC(=O)[C@@H]([NH3+])CCCC#N)cc1	ZINC000424152808	252145734	/nfs/dbraw/zinc/14/57/34/252145734.db2.gz	IZWZVKLYXHZXJY-HNNXBMFYSA-N	2	0	331.420	1.536	20	30		EDEDRP
CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cc(C#N)oc1C	ZINC000280754908	266146748	/nfs/dbraw/zinc/14/67/48/266146748.db2.gz	MSYBVFVLPCWXPP-HNNXBMFYSA-N	2	0	332.448	1.948	20	30		EDEDRP
N#Cc1ccccc1OC[C@@H](O)C[NH2+]C1CC[NH+](C2CCC2)CC1	ZINC000530234164	268297742	/nfs/dbraw/zinc/29/77/42/268297742.db2.gz	PGAVDPIRPTWJMB-SFHVURJKSA-N	2	0	329.444	1.904	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)NCCCC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1	ZINC000083025596	441346026	/nfs/dbraw/zinc/34/60/26/441346026.db2.gz	HRKKODRWBBQMJL-IRXDYDNUSA-N	2	0	335.492	1.337	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)NCC2([NH+]3CCCCC3)CCOCC2)CC1	ZINC000109981049	441512132	/nfs/dbraw/zinc/51/21/32/441512132.db2.gz	ROOSEDHBWNWEMK-UHFFFAOYSA-N	2	0	347.503	1.483	20	30		EDEDRP
COc1ccc(C#N)cc1C[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1	ZINC000178648832	442451991	/nfs/dbraw/zinc/45/19/91/442451991.db2.gz	JIUCVBLBLGHYRG-UHFFFAOYSA-N	2	0	344.459	1.457	20	30		EDEDRP
C=CCNC(=O)C[NH2+][C@@H](C)c1cc(F)ccc1N1CC[NH+](CC)CC1	ZINC000181633604	442707602	/nfs/dbraw/zinc/70/76/02/442707602.db2.gz	KCJYCEVRLCUJIY-HNNXBMFYSA-N	2	0	348.466	1.920	20	30		EDEDRP
C[NH+]=C(NC[C@H]1CC[N@@H+](C2CC2)C1)N1CC[C@@H](Oc2ccccn2)C1	ZINC000261945860	443175580	/nfs/dbraw/zinc/17/55/80/443175580.db2.gz	FVERGKNIQKJAIZ-NVXWUHKLSA-N	2	0	343.475	1.594	20	30		EDEDRP
C[NH+]=C(NC[C@H](O)c1cccc(OC)c1)N1CC[C@H]([NH+]2CC=CC2)C1	ZINC000262761784	443210919	/nfs/dbraw/zinc/21/09/19/443210919.db2.gz	DMTOEVWXGITRDI-WMZOPIPTSA-N	2	0	344.459	1.250	20	30		EDEDRP
C[NH+]=C(NC[C@@H](O)c1ccc(F)cc1)N1CC[C@H](C[NH+]2CCCC2)C1	ZINC000262816430	443214145	/nfs/dbraw/zinc/21/41/45/443214145.db2.gz	WVHGLDMIJGYLIJ-CRAIPNDOSA-N	2	0	348.466	1.852	20	30		EDEDRP
CCOC(=O)c1ccc(CNC(=[NH2+])NC[C@H]2CCC[N@@H+]2CC)cc1	ZINC000264116371	443249742	/nfs/dbraw/zinc/24/97/42/443249742.db2.gz	SRSBEFKXEPRARL-MRXNPFEDSA-N	2	0	332.448	1.752	20	30		EDEDRP
CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCOc1ccc2c(c1)OCO2	ZINC000264128433	443250420	/nfs/dbraw/zinc/25/04/20/443250420.db2.gz	XCWYOIAYWVXNAN-CYBMUJFWSA-N	2	0	334.420	1.183	20	30		EDEDRP
CC[NH+](CC)CCOc1ccc(CNC(=[NH2+])N[C@H](C)COC)cc1	ZINC000264133484	443251661	/nfs/dbraw/zinc/25/16/61/443251661.db2.gz	YVHCCMUYAMETOH-OAHLLOKOSA-N	2	0	336.480	1.846	20	30		EDEDRP
Cc1cccc(N2CC[NH+](CCCCNC3=[NH+]C[C@H](C)N3)CC2)c1	ZINC000285110406	443859473	/nfs/dbraw/zinc/85/94/73/443859473.db2.gz	PEQFHOVLOFBUGP-KRWDZBQOSA-N	2	0	329.492	1.835	20	30		EDEDRP
C[C@H](O)C[N@@H+]1CCN(C(=O)NC[C@@H]2CCCn3ccnc32)C[C@H]1C	ZINC000329724289	444693432	/nfs/dbraw/zinc/69/34/32/444693432.db2.gz	BMZLCQLFCVHMPR-ILXRZTDVSA-N	2	0	335.452	1.061	20	30		EDEDRP
O=C(NCc1cn2c(n1)CCCC2)N1CC[NH+](C[C@H]2CCOC2)CC1	ZINC000330178480	444875215	/nfs/dbraw/zinc/87/52/15/444875215.db2.gz	DSSGAQALXRUFKV-OAHLLOKOSA-N	2	0	347.463	1.288	20	30		EDEDRP
C=CCOc1cccc(C[N@@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)c1	ZINC000347136101	445232692	/nfs/dbraw/zinc/23/26/92/445232692.db2.gz	TZWRLPFUTFDKOO-GOSISDBHSA-N	2	0	343.471	1.895	20	30		EDEDRP
C[C@@H]1C[N@H+](C[C@H](O)c2ccc(C#N)cc2)CCN1C1CC[NH+](C)CC1	ZINC000373529036	446249430	/nfs/dbraw/zinc/24/94/30/446249430.db2.gz	KRPSMUCVNBKZTQ-UZLBHIALSA-N	2	0	342.487	1.692	20	30		EDEDRP
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1C[NH+]2CCC1CC2	ZINC000370612854	446357807	/nfs/dbraw/zinc/35/78/07/446357807.db2.gz	SDIRZMPDVFCXMX-LJQANCHMSA-N	2	0	340.471	1.790	20	30		EDEDRP
C[C@@H]([NH2+][C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)c1cccc(C#N)c1	ZINC000423447351	446540201	/nfs/dbraw/zinc/54/02/01/446540201.db2.gz	DCXKWROKEXPUNI-XVSDVWIESA-N	2	0	326.444	1.856	20	30		EDEDRP
C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)[NH2+][C@@H]1CC[C@H](C#N)C1	ZINC000442823491	446980613	/nfs/dbraw/zinc/98/06/13/446980613.db2.gz	DGEYUAXZXZYDFX-KSZLIROESA-N	2	0	328.460	1.557	20	30		EDEDRP
Cc1cc[nH+]c(NC[C@H]2CC[N@@H+]([C@H](C)C(=O)N(C)CCC#N)C2)c1	ZINC000377492868	447162774	/nfs/dbraw/zinc/16/27/74/447162774.db2.gz	XLUWKQOUIFZJFX-HZPDHXFCSA-N	2	0	329.448	1.884	20	30		EDEDRP
CC(C)[NH+]1CCC([NH2+]C[C@H](O)COc2ccc(CC#N)cc2)CC1	ZINC000565298957	448364225	/nfs/dbraw/zinc/36/42/25/448364225.db2.gz	CLTLIUOCPLSTQC-SFHVURJKSA-N	2	0	331.460	1.955	20	30		EDEDRP
C[C@@H](C[NH3+])CNC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000593714498	449157470	/nfs/dbraw/zinc/15/74/70/449157470.db2.gz	XVAIIFIKXGOZNL-AWEZNQCLSA-N	2	0	329.448	1.417	20	30		EDEDRP
COC[C@H](CCC[NH3+])[NH2+]C1CCN(Cc2cccc(C#N)c2)CC1	ZINC000593323945	449226631	/nfs/dbraw/zinc/22/66/31/449226631.db2.gz	UHBKBAHUZZVJOH-IBGZPJMESA-N	2	0	330.476	1.866	20	30		EDEDRP
C[N@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)[C@@H]([NH3+])CCCC#N)C1	ZINC000595949222	449275445	/nfs/dbraw/zinc/27/54/45/449275445.db2.gz	YMHJDYWVOTWMJH-MSOLQXFVSA-N	2	0	328.460	1.783	20	30		EDEDRP
CSC1(C[NH2+]C[C@@H](O)CC2(C#N)CCOCC2)CC[NH+](C)CC1	ZINC000600739781	449526957	/nfs/dbraw/zinc/52/69/57/449526957.db2.gz	FMUONFQGEDSCCT-HNNXBMFYSA-N	2	0	341.521	1.475	20	30		EDEDRP
C[N@H+](CC1CC1)C[C@@H]1CC[NH+](C[C@@H](O)CC2(C#N)CCOCC2)C1	ZINC000599305220	449877146	/nfs/dbraw/zinc/87/71/46/449877146.db2.gz	WEVBWFAFBKHUNQ-ROUUACIJSA-N	2	0	335.492	1.721	20	30		EDEDRP
CC[NH+]=C(NC[C@@](C)(O)c1ccco1)N1CC[C@H]([NH+]2CC=CC2)C1	ZINC000130726046	528812434	/nfs/dbraw/zinc/81/24/34/528812434.db2.gz	ICATVDPHXZTTGA-MAUKXSAKSA-N	2	0	332.448	1.399	20	30		EDEDRP
CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(OCC2CC2)nc1	ZINC000264064993	535549035	/nfs/dbraw/zinc/54/90/35/535549035.db2.gz	AVLJWYHIUAYUMN-MRXNPFEDSA-N	2	0	331.464	1.759	20	30		EDEDRP
C=C(C[NH+](C)C)C(=O)N[C@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1	ZINC000764474380	580121235	/nfs/dbraw/zinc/12/12/35/580121235.db2.gz	YZWXUEUSTPMPLV-OAHLLOKOSA-N	2	0	348.466	1.873	20	30		EDEDRP
C#CC[NH+]1CCC(Nc2cc(N3CC[C@@H]([C@@H](C)O)C3)ncn2)CC1	ZINC000895812194	591278519	/nfs/dbraw/zinc/27/85/19/591278519.db2.gz	NZQBQSGAAIEHCK-HUUCEWRRSA-N	2	0	329.448	1.193	20	30		EDEDRP
C#CC[N@H+](C)CCCNC(=O)N1CC[C@H]([NH+](C)Cc2ccccc2)C1	ZINC000838622755	593196901	/nfs/dbraw/zinc/19/69/01/593196901.db2.gz	LDPHZYWLMGOHDK-IBGZPJMESA-N	2	0	342.487	1.857	20	30		EDEDRP
C#CCN1CCN(C(=O)C[N@@H+]2CCC[C@H](c3ccccc3)C2)CC1	ZINC000814641563	593598842	/nfs/dbraw/zinc/59/88/42/593598842.db2.gz	HZUXQWOYRSOBTQ-IBGZPJMESA-N	2	0	325.456	1.643	20	30		EDEDRP
C#CC[N@H+](C)CCCNC(=O)NCCc1cn2c(cccc2C)n1	ZINC000826867226	594590691	/nfs/dbraw/zinc/59/06/91/594590691.db2.gz	JGEGYXGQKCQMEI-UHFFFAOYSA-N	2	0	327.432	1.440	20	30		EDEDRP
C[NH+]1CCN(c2ccccc2NC(=O)[C@H]([NH3+])CCCCC#N)CC1	ZINC000848415960	595375758	/nfs/dbraw/zinc/37/57/58/595375758.db2.gz	ULFNULNCDXRAEH-OAHLLOKOSA-N	2	0	329.448	1.788	20	30		EDEDRP
CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(NC1CC1)=[NH+]C	ZINC000849109591	595483370	/nfs/dbraw/zinc/48/33/70/595483370.db2.gz	ACAIZMCRYWYDEO-SJLPKXTDSA-N	2	0	330.476	1.851	20	30		EDEDRP
CNC(NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2)=[NH+]C	ZINC000849110217	595483377	/nfs/dbraw/zinc/48/33/77/595483377.db2.gz	WABQBDPOOAUSBJ-KRWDZBQOSA-N	2	0	330.476	1.710	20	30		EDEDRP
CC1CC[NH+](C[C@H]2CCCN(C(=O)C#CC3CC[NH2+]CC3)C2)CC1	ZINC000852862841	595584119	/nfs/dbraw/zinc/58/41/19/595584119.db2.gz	HZJRUKGPXPCPRS-LJQANCHMSA-N	2	0	331.504	1.960	20	30		EDEDRP
C#CCOCCN1CCN(c2ccccc2OCC[NH+](C)C)CC1	ZINC000851847650	595945510	/nfs/dbraw/zinc/94/55/10/595945510.db2.gz	HOELXSUOHKKAGQ-UHFFFAOYSA-N	2	0	331.460	1.399	20	30		EDEDRP
C[C@H](C[NH2+]Cc1cc(C#N)ccc1N(C)C)CN1CC[NH+](C)CC1	ZINC000865449358	596578679	/nfs/dbraw/zinc/57/86/79/596578679.db2.gz	USUYQOSGUCPVQU-MRXNPFEDSA-N	2	0	329.492	1.597	20	30		EDEDRP
C#C[C@H]1CC[C@H](NC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)CC1	ZINC000876440462	597205681	/nfs/dbraw/zinc/20/56/81/597205681.db2.gz	CMPPPABVGUVTFF-BRSBDYLESA-N	2	0	334.508	1.559	20	30		EDEDRP
C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+](CCCOCC)C[C@H]1C	ZINC000876765502	597330163	/nfs/dbraw/zinc/33/01/63/597330163.db2.gz	SGXUMNSGOULAAZ-VHDGCEQUSA-N	2	0	331.888	1.710	20	30		EDEDRP
Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)C#CC3CC[NH2+]CC3)C2)cc1	ZINC000877220279	597465566	/nfs/dbraw/zinc/46/55/66/597465566.db2.gz	FNCRMRMFGCBEHF-IBGZPJMESA-N	2	0	325.456	1.689	20	30		EDEDRP
C[NH+]1CCN(Cc2cc(C#N)cc(CN3CC[NH+](C)CC3)c2)CC1	ZINC000877942554	597565208	/nfs/dbraw/zinc/56/52/08/597565208.db2.gz	JJYFLVGFXONREK-UHFFFAOYSA-N	2	0	327.476	1.053	20	30		EDEDRP
C[C@@H]1C[NH+](Cc2cc(C#N)cc(C[N@H+]3C[C@H](C)[C@H](O)C3)c2)C[C@@H]1O	ZINC000878335272	597596380	/nfs/dbraw/zinc/59/63/80/597596380.db2.gz	KCBZZDNKUMVKGO-BZUPMSHVSA-N	2	0	329.444	1.183	20	30		EDEDRP
C[NH+](C)C[C@@H]1CN(C(=O)Nc2cccc(CC#N)c2)C[C@H]1C[NH+](C)C	ZINC000879845118	597735888	/nfs/dbraw/zinc/73/58/88/597735888.db2.gz	NGTALKDFKIOUPX-IAGOWNOFSA-N	2	0	343.475	1.956	20	30		EDEDRP
C[C@H]1C[N@H+](C[C@H](O)CC2(C#N)CCOCC2)CCN1c1cc[nH+]cc1	ZINC000880259694	597885524	/nfs/dbraw/zinc/88/55/24/597885524.db2.gz	ZGIPVALGFYRQIM-FUHWJXTLSA-N	2	0	344.459	1.663	20	30		EDEDRP
COCc1cc(C#N)ccc1N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1	ZINC000882678911	598020674	/nfs/dbraw/zinc/02/06/74/598020674.db2.gz	JFBGUVCCMFHHRE-QZTJIDSGSA-N	2	0	330.476	1.880	20	30		EDEDRP
C[NH+](C)CCc1ccc(NC(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)cc1	ZINC000884208396	598029507	/nfs/dbraw/zinc/02/95/07/598029507.db2.gz	YUIZGERLMHVUSV-KOHRHEQBSA-N	2	0	326.444	1.869	20	30		EDEDRP
C[C@@H](CNC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N)[N@H+](C)Cc1ccccc1	ZINC000884219909	598032944	/nfs/dbraw/zinc/03/29/44/598032944.db2.gz	AQEPHSREUQTBFX-VHJHTJHASA-N	2	0	340.471	1.762	20	30		EDEDRP
C#CCN(C(=O)NC[C@H](C)[N@@H+]1CCC[C@H](C)C1)C1CC[NH+](C)CC1	ZINC000914074734	695069534	/nfs/dbraw/zinc/06/95/34/695069534.db2.gz	LJLFODAYDCXOPX-IRXDYDNUSA-N	2	0	334.508	1.846	20	30		EDEDRP
C#CC[NH+]1CCC(NC(=O)NC[C@@H](c2ccc(F)cc2)[NH+](C)C)CC1	ZINC000914270679	695321883	/nfs/dbraw/zinc/32/18/83/695321883.db2.gz	BKKXKNCDVVCFDT-SFHVURJKSA-N	2	0	346.450	1.825	20	30		EDEDRP
C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@H]1C	ZINC000993365345	696013744	/nfs/dbraw/zinc/01/37/44/696013744.db2.gz	MNGVGNRKSYSPAW-IAGOWNOFSA-N	2	0	347.507	1.994	20	30		EDEDRP
C#CCC[N@H+]1CCC[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@H]1C	ZINC000993990094	696484146	/nfs/dbraw/zinc/48/41/46/696484146.db2.gz	QHYPNPFLSWLLGM-NVXWUHKLSA-N	2	0	331.464	1.051	20	30		EDEDRP
C=CC[NH+]1CCC(NC(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@@H]23)CC1	ZINC000917137710	696950365	/nfs/dbraw/zinc/95/03/65/696950365.db2.gz	VKJSJGWFRZVMBV-CVEARBPZSA-N	2	0	338.521	1.516	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)NC2CN(C[C@H](O)C3CCCCC3)C2)CC1	ZINC001031435296	697102985	/nfs/dbraw/zinc/10/29/85/697102985.db2.gz	WYZYVSCZXARGDT-IBGZPJMESA-N	2	0	347.503	1.073	20	30		EDEDRP
C=C(Br)C[NH2+][C@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C	ZINC000939055260	699116378	/nfs/dbraw/zinc/11/63/78/699116378.db2.gz	WHRZOAZAXUVRDJ-RISCZKNCSA-N	2	0	344.297	1.673	20	30		EDEDRP
C=CCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C(C)(C)C1	ZINC000940902163	700976785	/nfs/dbraw/zinc/97/67/85/700976785.db2.gz	YATMUXNUGYISKA-MUZJZNNISA-N	2	0	347.503	1.642	20	30		EDEDRP
C=CC[NH2+][C@H]1CN(C(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)CC1(C)C	ZINC000995830768	702105379	/nfs/dbraw/zinc/10/53/79/702105379.db2.gz	ICGLPTZTBINZBK-SQNIBIBYSA-N	2	0	349.519	1.746	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)NCC2C[NH+](C[C@@H]3CC[C@@H]4C[C@@H]4C3)C2)CC1	ZINC001032207190	702116117	/nfs/dbraw/zinc/11/61/17/702116117.db2.gz	GWFZGAWUBFSANA-AHRSYUTCSA-N	2	0	343.515	1.816	20	30		EDEDRP
C=C(C)CC[N@@H+]1CC[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@@H](C)C1	ZINC000942058075	702507906	/nfs/dbraw/zinc/50/79/06/702507906.db2.gz	SPTPZEKBQPVQAV-IRXDYDNUSA-N	2	0	347.507	1.851	20	30		EDEDRP
C#CCN1CCC[C@H]1C(=O)N1CCC([NH2+]Cc2ncccc2C)CC1	ZINC000996687711	702984894	/nfs/dbraw/zinc/98/48/94/702984894.db2.gz	YKCXKRHUFISRPD-IBGZPJMESA-N	2	0	340.471	1.568	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)N2CCC([NH2+]Cc3ccon3)CC2)CC1	ZINC000997363466	703597106	/nfs/dbraw/zinc/59/71/06/703597106.db2.gz	GYUSEOBMZSNNJM-UHFFFAOYSA-N	2	0	330.432	1.100	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)N2CCC([NH2+]Cc3nccs3)CC2)CC1	ZINC000997364446	703597670	/nfs/dbraw/zinc/59/76/70/703597670.db2.gz	MYSNVPMENGEFLG-UHFFFAOYSA-N	2	0	346.500	1.569	20	30		EDEDRP
CC(C)[NH+]=C(NCC(=O)N(C)C)N1CC[NH+](C2CCCCC2)CC1	ZINC000185544177	704004483	/nfs/dbraw/zinc/00/44/83/704004483.db2.gz	FRDDTQYVPCXYSJ-UHFFFAOYSA-N	2	0	337.512	1.379	20	30		EDEDRP
C#CC[NH2+][C@H]1CN(C(=O)C2CC[NH+](C)CC2)CC[C@@H]1C(F)(F)F	ZINC000998286354	705682236	/nfs/dbraw/zinc/68/22/36/705682236.db2.gz	KNZKCCPTMMVCKY-KBPBESRZSA-N	2	0	331.382	1.330	20	30		EDEDRP
CN(C(=O)[C@H]1CC[N@H+](C)C1)C1CC([NH2+]Cc2ccc(C#N)s2)C1	ZINC000999838349	707410231	/nfs/dbraw/zinc/41/02/31/707410231.db2.gz	WJRDALFXLODWDE-HSBZDZAISA-N	2	0	332.473	1.650	20	30		EDEDRP
CN(C(=O)[C@H]1CC[N@H+](C)C1)C1CC([NH2+]Cc2ccc(F)c(C#N)c2)C1	ZINC000999836896	707472799	/nfs/dbraw/zinc/47/27/99/707472799.db2.gz	MEXRCEBOBPVKHY-OOHWJJMZSA-N	2	0	344.434	1.728	20	30		EDEDRP
C=CCC[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1	ZINC001034318645	709768135	/nfs/dbraw/zinc/76/81/35/709768135.db2.gz	CTMPRNNOIBQWKE-ISXWCOSWSA-N	2	0	333.476	1.396	20	30		EDEDRP
C[N@@H+]1CC[C@H](C(=O)N[C@H]2CCCC[NH+](Cc3ccc(C#N)cc3)C2)C1	ZINC001034523779	710171656	/nfs/dbraw/zinc/17/16/56/710171656.db2.gz	BVBGHKORUNJQNI-OALUTQOASA-N	2	0	340.471	1.981	20	30		EDEDRP
C=C(C)C[NH2+][C@H]1CC[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)CC1	ZINC001034754561	710975849	/nfs/dbraw/zinc/97/58/49/710975849.db2.gz	ODUMOQUECJFNGC-QAQDUYKDSA-N	2	0	333.480	1.651	20	30		EDEDRP
C=C(C)C[NH+]1CCC(N(C)C(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)CC1	ZINC001005742888	711366210	/nfs/dbraw/zinc/36/62/10/711366210.db2.gz	XBIKRMUYSVELDJ-URSIVYNOSA-N	2	0	333.476	1.349	20	30		EDEDRP
C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC[C@@H]2C[NH+](C)CCN2C)C1	ZINC000329218311	539420483	/nfs/dbraw/zinc/42/04/83/539420483.db2.gz	ADHXWDDCPIXJEE-HZPDHXFCSA-N	2	0	339.528	1.246	20	30		EDEDRP
CN(C[C@H]1CCC[N@H+](C)C1)[C@H]1CCN(c2sccc2C#N)C1=O	ZINC000246403394	139107110	/nfs/dbraw/zinc/10/71/10/139107110.db2.gz	JOCLUZAHYHBGNO-ZFWWWQNUSA-N	2	0	332.473	1.999	20	30		EDEDRP
C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1	ZINC000375905648	250282065	/nfs/dbraw/zinc/28/20/65/250282065.db2.gz	NEDPEXPEHLUICV-RTBURBONSA-N	2	0	348.535	1.676	20	30		EDEDRP
Cc1nc(C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)ccc1C#N	ZINC000194598682	273003910	/nfs/dbraw/zinc/00/39/10/273003910.db2.gz	FEWOMPFDTDNIAB-UHFFFAOYSA-N	2	0	331.464	1.607	20	30		EDEDRP
C[C@@H](CNC(=[NH2+])N[C@H]1CCOc2ccccc21)C[NH+]1CCN(C)CC1	ZINC000083032495	441347773	/nfs/dbraw/zinc/34/77/73/441347773.db2.gz	MGQMURQSWQMSEI-RDJZCZTQSA-N	2	0	345.491	1.298	20	30		EDEDRP
C[NH+]1CCC(C#N)(NC(=O)CC2([NH+]3CCOCC3)CCCC2)CC1	ZINC000073454946	441319053	/nfs/dbraw/zinc/31/90/53/441319053.db2.gz	OXAVWPUAHALNDK-UHFFFAOYSA-N	2	0	334.464	1.126	20	30		EDEDRP
C[NH+]=C(NCc1cccc(N(C)C)n1)N1CC[C@H]([NH+]2CCCCC2)C1	ZINC000261775078	443169366	/nfs/dbraw/zinc/16/93/66/443169366.db2.gz	PNYOEMMDBKUVAP-KRWDZBQOSA-N	2	0	344.507	1.783	20	30		EDEDRP
C/[NH+]=C(/NCc1cn2ccsc2n1)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C	ZINC000262002211	443179040	/nfs/dbraw/zinc/17/90/40/443179040.db2.gz	UTAOQRIVNRHYLJ-TZMCWYRMSA-N	2	0	334.493	1.790	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[N@H+](C)Cc2ccccc2)CC1	ZINC000264645862	443359837	/nfs/dbraw/zinc/35/98/37/443359837.db2.gz	HHFLLPANGLRORZ-QGZVFWFLSA-N	2	0	327.472	1.968	20	30		EDEDRP
C[NH+]=C(NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1)NC1CC1	ZINC000264798846	443430749	/nfs/dbraw/zinc/43/07/49/443430749.db2.gz	XQHMLWGBGZBLHH-MRXNPFEDSA-N	2	0	343.475	1.211	20	30		EDEDRP
C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@@H](C)C[NH+]1CCOCC1)C(C)C	ZINC000273078742	443532361	/nfs/dbraw/zinc/53/23/61/443532361.db2.gz	LYPXSZFALSYNMG-ROUUACIJSA-N	2	0	337.508	1.770	20	30		EDEDRP
CN(CC[NH+](C)C)c1cc(N(C)CC[NH+](C)C)c([N+](=O)[O-])cc1C#N	ZINC000288568962	443920783	/nfs/dbraw/zinc/92/07/83/443920783.db2.gz	WRWZCQCHCISSED-UHFFFAOYSA-N	2	0	348.451	1.462	20	30		EDEDRP
CC[C@](C)(C#N)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1	ZINC000285897281	444145212	/nfs/dbraw/zinc/14/52/12/444145212.db2.gz	GPXGQHJTHWPYMA-GOSISDBHSA-N	2	0	329.448	1.650	20	30		EDEDRP
CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2CCOC[C@@H](C)C2)C1	ZINC000328699687	444434434	/nfs/dbraw/zinc/43/44/34/444434434.db2.gz	VTFDLWVTJBIQIZ-JKSUJKDBSA-N	2	0	327.469	1.268	20	30		EDEDRP
CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2CCOC[C@H](C)C2)C1	ZINC000328699686	444434471	/nfs/dbraw/zinc/43/44/71/444434471.db2.gz	VTFDLWVTJBIQIZ-HZPDHXFCSA-N	2	0	327.469	1.268	20	30		EDEDRP
CC[NH+]1CCN(c2ccc(CNC(=O)[C@H]3CCC[N@@H+]3C)cn2)CC1	ZINC000329225217	444506396	/nfs/dbraw/zinc/50/63/96/444506396.db2.gz	GANWZLCEIDGVQN-MRXNPFEDSA-N	2	0	331.464	1.774	20	30		EDEDRP
C[C@H](O)[C@H]1C[C@H](C)CC[NH+]1CC#CC[N@H+]1CC[C@H](C)C[C@@H]1[C@H](C)O	ZINC000342153840	444538330	/nfs/dbraw/zinc/53/83/30/444538330.db2.gz	CJUHZASVLZBAOR-GNVSMLMZSA-N	2	0	336.520	1.952	20	30		EDEDRP
C[C@H]([NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1)c1ccc(C#N)cc1	ZINC000338340848	444644114	/nfs/dbraw/zinc/64/41/14/444644114.db2.gz	AZIARHUUVBNLPK-AWEZNQCLSA-N	2	0	326.444	1.952	20	30		EDEDRP
CC(C)[NH+]1CCC(O)(CNC(=O)N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)CC1	ZINC000329993310	444802697	/nfs/dbraw/zinc/80/26/97/444802697.db2.gz	YHXQGFZCAYNGOK-LSDHHAIUSA-N	2	0	338.496	1.351	20	30		EDEDRP
C=CCN1CC[C@H]([NH+]2CCC(CCC[N@@H+](C)CCOC)CC2)C1=O	ZINC000337183510	444977138	/nfs/dbraw/zinc/97/71/38/444977138.db2.gz	NQSCBYLFMIASCA-SFHVURJKSA-N	2	0	337.508	1.844	20	30		EDEDRP
O=C(NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)N1CC[N@@H+]2CCC[C@@H]2C1	ZINC000330316234	444934113	/nfs/dbraw/zinc/93/41/13/444934113.db2.gz	PXZRRZLXTPEELY-ZACQAIPSSA-N	2	0	336.480	1.058	20	30		EDEDRP
C(#CC[N@@H+]1CCC[C@H]2COCC[C@H]21)C[NH+]1CCC[C@@H]2COCC[C@@H]21	ZINC000341893408	445056866	/nfs/dbraw/zinc/05/68/66/445056866.db2.gz	HURKQNCWBBVRIT-JVSBHGNQSA-N	2	0	332.488	1.992	20	30		EDEDRP
C[NH+](C)[C@@H]1CCN(C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)C1	ZINC000330892629	445184474	/nfs/dbraw/zinc/18/44/74/445184474.db2.gz	KSKOJYHPMUKALR-UONOGXRCSA-N	2	0	325.457	1.174	20	30		EDEDRP
C=CCNC(=O)[C@H](C)[N@H+](C)C[C@H]1CCCN(C)[C@H]1c1ccnn1C	ZINC000346910655	445227666	/nfs/dbraw/zinc/22/76/66/445227666.db2.gz	CJGYWQJTJHFUPA-ZMSDIMECSA-N	2	0	333.480	1.426	20	30		EDEDRP
CSC1(C[NH2+]C[C@H](O)COc2ccc(C#N)cc2)CC[NH+](C)CC1	ZINC000591766723	448486355	/nfs/dbraw/zinc/48/63/55/448486355.db2.gz	AWRLRHDEFDXHDG-INIZCTEOSA-N	2	0	349.500	1.715	20	30		EDEDRP
C[C@@H]1[NH2+]CC[C@@H]1C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000593918221	449286548	/nfs/dbraw/zinc/28/65/48/449286548.db2.gz	ATJPKPMKOUDNJT-KSSFIOAISA-N	2	0	326.444	1.637	20	30		EDEDRP
N#CC1(C[C@@H](O)C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)CC1	ZINC000600741608	449528418	/nfs/dbraw/zinc/52/84/18/449528418.db2.gz	FSGDPCFJDNVJGQ-RBUKOAKNSA-N	2	0	343.471	1.788	20	30		EDEDRP
N#CC1(C[C@H](O)C[NH2+]CCCN2CCN(c3cc[nH+]cc3)CC2)CC1	ZINC000600724967	449518958	/nfs/dbraw/zinc/51/89/58/449518958.db2.gz	VIPIJNUYDGUTOP-SFHVURJKSA-N	2	0	343.475	1.238	20	30		EDEDRP
N#CCCCC[C@H]([NH3+])C(=O)NC1CC[NH+](Cc2ccccn2)CC1	ZINC000594440049	449519443	/nfs/dbraw/zinc/51/94/43/449519443.db2.gz	YUSXLSZHTHBHHU-KRWDZBQOSA-N	2	0	329.448	1.573	20	30		EDEDRP
CC[NH+]1CCN(c2ccc(C[NH2+]C[C@H](O)CC(C)(C)C#N)cn2)CC1	ZINC000598716134	449560150	/nfs/dbraw/zinc/56/01/50/449560150.db2.gz	XYXLWUUWEJPVMP-QGZVFWFLSA-N	2	0	345.491	1.614	20	30		EDEDRP
CC(C)(C#N)C[C@H](O)C[NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1	ZINC000598720208	449562041	/nfs/dbraw/zinc/56/20/41/449562041.db2.gz	LYSJUFRKWPLATQ-SFHVURJKSA-N	2	0	345.491	1.484	20	30		EDEDRP
C[NH+](C)CCCN(CCC#N)C(=O)Nc1ccc2c(c1)OCC[NH2+]C2	ZINC000599624549	450112567	/nfs/dbraw/zinc/11/25/67/450112567.db2.gz	LHOSWZCTYACXJD-UHFFFAOYSA-N	2	0	345.447	1.868	20	30		EDEDRP
CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(OC)c([N+](=O)[O-])c1	ZINC000264084132	535549786	/nfs/dbraw/zinc/54/97/86/535549786.db2.gz	INDFAOMKKAAZGH-CYBMUJFWSA-N	2	0	335.408	1.492	20	30		EDEDRP
CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCC[S@@](=O)Cc1ccccc1	ZINC000267379666	535597147	/nfs/dbraw/zinc/59/71/47/535597147.db2.gz	ARDDTZRYHJMIDC-QMHKHESXSA-N	2	0	336.505	1.324	20	30		EDEDRP
C[NH+](C)CCNC(=S)N(CC[NH+](C)C)Cc1cccc(C#N)c1	ZINC000743827710	579491763	/nfs/dbraw/zinc/49/17/63/579491763.db2.gz	NSZSBGLECSBCDU-UHFFFAOYSA-N	2	0	333.505	1.358	20	30		EDEDRP
C=C(C[NH+](C)C)C(=O)N(C)C1CC[NH+](CCc2ccccn2)CC1	ZINC000764478477	580121343	/nfs/dbraw/zinc/12/13/43/580121343.db2.gz	ZRIUPORMVVNXEE-UHFFFAOYSA-N	2	0	330.476	1.665	20	30		EDEDRP
C[C@H](C#N)OCC[N@H+](C)CCN1CC[NH+](Cc2ccccc2)CC1	ZINC000796277278	580949879	/nfs/dbraw/zinc/94/98/79/580949879.db2.gz	WNSWHEBIHZWURQ-GOSISDBHSA-N	2	0	330.476	1.665	20	30		EDEDRP
C[C@H](C#N)OCC[NH+]1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1	ZINC000801922351	581088123	/nfs/dbraw/zinc/08/81/23/581088123.db2.gz	ITPYGVDZRIZRFN-OAHLLOKOSA-N	2	0	338.496	1.331	20	30		EDEDRP
CCOCCCNC(=[NH2+])NCCN1CC[NH+](Cc2ccccc2)CC1	ZINC000104155567	590800291	/nfs/dbraw/zinc/80/02/91/590800291.db2.gz	ULGQYWRGGDJMLN-UHFFFAOYSA-N	2	0	347.507	1.135	20	30		EDEDRP
C[N@@H+]1C[C@@H]2CN([C@H]3CC(=O)N(c4ccc(C#N)cc4)C3=O)C[C@]2(C)C1	ZINC000899251535	591750477	/nfs/dbraw/zinc/75/04/77/591750477.db2.gz	APAKCYMSTJDQSL-ALKREAHSSA-N	2	0	338.411	1.074	20	30		EDEDRP
C#CCC[NH+]1CCC(NC(=O)CCN2CC[NH+](C(C)C)CC2)CC1	ZINC000900797157	592126439	/nfs/dbraw/zinc/12/64/39/592126439.db2.gz	BFEXYJQDQAQELR-UHFFFAOYSA-N	2	0	334.508	1.006	20	30		EDEDRP
N#Cc1ccc(CN2CCCN(C(=O)[C@H](O)c3cnc[nH]3)CC2)cc1	ZINC000864659138	596299708	/nfs/dbraw/zinc/29/97/08/596299708.db2.gz	CMCLGTJHURYOTL-QGZVFWFLSA-N	2	0	339.399	1.049	20	30		EDEDRP
CC[NH+]1CCN(C[C@@H](C)C[NH2+]Cc2cc(C#N)ccc2N(C)C)CC1	ZINC000865448242	596578499	/nfs/dbraw/zinc/57/84/99/596578499.db2.gz	DFZGQUQUFWXLNA-KRWDZBQOSA-N	2	0	343.519	1.987	20	30		EDEDRP
N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)N1CCN(c2cc[nH+]cc2)CC1	ZINC000876779963	597337897	/nfs/dbraw/zinc/33/78/97/597337897.db2.gz	PJVBXYJNFFHPAK-LJQANCHMSA-N	2	0	347.422	1.489	20	30		EDEDRP
N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)NCC1CC[NH+](C2CC2)CC1	ZINC000876910029	597381127	/nfs/dbraw/zinc/38/11/27/597381127.db2.gz	PZEYDJVVSVKZIU-LJQANCHMSA-N	2	0	338.455	1.736	20	30		EDEDRP
N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)NCc1cccc2c1CC[NH2+]C2	ZINC000877142448	597441486	/nfs/dbraw/zinc/44/14/86/597441486.db2.gz	UATUMSJONKBWML-FQEVSTJZSA-N	2	0	346.434	1.707	20	30		EDEDRP
C[NH+]1CCC(CNC(=O)C#CC2CC[NH2+]CC2)(c2ccccc2)CC1	ZINC000877224756	597466921	/nfs/dbraw/zinc/46/69/21/597466921.db2.gz	NYUDCJWNPDNKGD-UHFFFAOYSA-N	2	0	339.483	1.769	20	30		EDEDRP
C[NH+](C)Cc1cccc(CNC(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)c1	ZINC000884184224	598017884	/nfs/dbraw/zinc/01/78/84/598017884.db2.gz	JVBQZFNVHNJSOV-TVRKMHQQSA-N	2	0	326.444	1.504	20	30		EDEDRP
CC[NH+](CC)CC1CCN(C(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)CC1	ZINC000884189626	598020616	/nfs/dbraw/zinc/02/06/16/598020616.db2.gz	JYTPPRIJOSWZAB-TVRKMHQQSA-N	2	0	332.492	1.706	20	30		EDEDRP
Cc1ccc([C@H](CNC(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)[NH+](C)C)cc1	ZINC000884196201	598023499	/nfs/dbraw/zinc/02/34/99/598023499.db2.gz	KLGBPANQZFVGNK-NNVNDSJASA-N	2	0	340.471	1.853	20	30		EDEDRP
COc1ccc(NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc1C#N	ZINC000880880992	598025174	/nfs/dbraw/zinc/02/51/74/598025174.db2.gz	RYXZIULYERLWPH-UHFFFAOYSA-N	2	0	333.436	1.524	20	30		EDEDRP
N#C[C@H]1C[NH2+]CC12CC(C(=O)N[C@H](CCC[NH3+])c1ccccc1)C2	ZINC000884337089	598073615	/nfs/dbraw/zinc/07/36/15/598073615.db2.gz	CXNNHPHJCWWJOM-DHADLLTHSA-N	2	0	326.444	1.722	20	30		EDEDRP
C#CC[NH+]1CCC(NC(=O)NCCCC[NH+]2CCC(C)CC2)CC1	ZINC000914097193	695092709	/nfs/dbraw/zinc/09/27/09/695092709.db2.gz	OMXVEMBNWFJKMS-UHFFFAOYSA-N	2	0	334.508	1.895	20	30		EDEDRP
C#CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C34CCC[NH+](CCC3)C4)C[C@@H]21	ZINC000992729120	695245134	/nfs/dbraw/zinc/24/51/34/695245134.db2.gz	OLUJHYRHWWTUJH-OKZBNKHCSA-N	2	0	329.488	1.712	20	30		EDEDRP
C=C(Br)C[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)CC1(C)C	ZINC000996613719	702918596	/nfs/dbraw/zinc/91/85/96/702918596.db2.gz	XADGSWJCMGYUKX-CYBMUJFWSA-N	2	0	344.297	1.817	20	30		EDEDRP
C[N@@H+]1CC[C@H](C(=O)N2C[C@@H]([NH2+]Cc3cccc(C#N)c3)C(C)(C)C2)C1	ZINC000996618120	702924845	/nfs/dbraw/zinc/92/48/45/702924845.db2.gz	WJQCLNULAOKRDX-ZWKOTPCHSA-N	2	0	340.471	1.837	20	30		EDEDRP
C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1CCC([NH2+]Cc2ccc(C#N)s2)CC1	ZINC000997005397	703262825	/nfs/dbraw/zinc/26/28/25/703262825.db2.gz	DJFYAWFPMPUIBW-CXAGYDPISA-N	2	0	346.500	1.898	20	30		EDEDRP
C#CC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)CC1	ZINC000997123626	703381644	/nfs/dbraw/zinc/38/16/44/703381644.db2.gz	ANCZIYDQHBEPMG-APWZRJJASA-N	2	0	347.503	1.480	20	30		EDEDRP
CC#CC[NH+]1CCC([C@H](C)NC(=O)c2cnn(CC[NH+](C)C)c2)CC1	ZINC000997794384	704702731	/nfs/dbraw/zinc/70/27/31/704702731.db2.gz	RHEQVOUWJDADJJ-INIZCTEOSA-N	2	0	345.491	1.298	20	30		EDEDRP
C#CC[N@@H+]1CC[C@H](NC(=O)CN2CCc3sccc3C2)[C@H](C)C1	ZINC000945089091	705041864	/nfs/dbraw/zinc/04/18/64/705041864.db2.gz	FIRMOMSURZIRIW-ZBFHGGJFSA-N	2	0	331.485	1.566	20	30		EDEDRP
CN(C(=O)[C@@H]1CCC[N@@H+]1C)C1CC([NH2+]Cc2cccc(C#N)c2)C1	ZINC000998556535	705993122	/nfs/dbraw/zinc/99/31/22/705993122.db2.gz	NMEPXIMVPCOKOZ-ABHNRTSZSA-N	2	0	326.444	1.731	20	30		EDEDRP
C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2ccc(C#N)c(F)c2)C1	ZINC000998718011	706149548	/nfs/dbraw/zinc/14/95/48/706149548.db2.gz	AFVHLHGPFDHATE-WMZOPIPTSA-N	2	0	344.434	1.872	20	30		EDEDRP
C#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)CC[C@@H]2C1	ZINC000946697528	707145541	/nfs/dbraw/zinc/14/55/41/707145541.db2.gz	VXNGMLPRYUOBSF-CEXWTWQISA-N	2	0	329.488	1.664	20	30		EDEDRP
C=C(C)C[N@H+]1CC[C@@H](N(C)C(=O)c2ccn(-c3cc[nH+]cc3)n2)C1	ZINC001033255362	707244343	/nfs/dbraw/zinc/24/43/43/707244343.db2.gz	KGJGMRHZUUKWPM-MRXNPFEDSA-N	2	0	325.416	1.990	20	30		EDEDRP
C#CCC[NH+]1CCC(N(C)C(=O)c2ccn(CC[NH+](C)C)n2)CC1	ZINC001005409876	708922630	/nfs/dbraw/zinc/92/26/30/708922630.db2.gz	MFXMZGMGTZAARR-UHFFFAOYSA-N	2	0	331.464	1.004	20	30		EDEDRP
CCC[NH+]1CCC(NC(=O)N2CC[N@H+](CC(C)(C)O)C[C@H]2C)CC1	ZINC000331214312	283317971	/nfs/dbraw/zinc/31/79/71/283317971.db2.gz	BIFILRUXOIWACH-OAHLLOKOSA-N	2	0	340.512	1.552	20	30		EDEDRP
CC[N@H+](C)Cc1cccc(CNC(NCCN2CCOCC2)=[NH+]C)c1	ZINC000264994482	249341438	/nfs/dbraw/zinc/34/14/38/249341438.db2.gz	RUJNMYYHDFFUNH-UHFFFAOYSA-N	2	0	347.507	1.136	20	30		EDEDRP
CN1CC[NH+]=C1NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2	ZINC000263209079	249329382	/nfs/dbraw/zinc/32/93/82/249329382.db2.gz	YSZMDZCIGVKAEA-GOSISDBHSA-N	2	0	342.487	1.806	20	30		EDEDRP
CC[NH+]1CCN(C[C@H](C)C[NH2+]Cc2ccc(OC)c(C#N)c2)CC1	ZINC000174349696	441915213	/nfs/dbraw/zinc/91/52/13/441915213.db2.gz	CBTXDZKHADXBJD-MRXNPFEDSA-N	2	0	330.476	1.930	20	30		EDEDRP
CCN(CC)C(=[NH2+])NCc1cccc(CNC(=[NH2+])N(CC)CC)c1	ZINC000164312412	442194676	/nfs/dbraw/zinc/19/46/76/442194676.db2.gz	VLMNUGWPJAMOAN-UHFFFAOYSA-N	2	0	332.496	2.000	20	30		EDEDRP
C=CC[NH+]1CCC(NC(=O)N2CCC([N@H+](C)CCCO)CC2)CC1	ZINC000172622768	442506937	/nfs/dbraw/zinc/50/69/37/442506937.db2.gz	FLLDFOMGLILYGQ-UHFFFAOYSA-N	2	0	338.496	1.125	20	30		EDEDRP
CC(C)CNC(=[NH2+])NCCC[N@@H+]1CCN(C)C[C@@H]1c1ccccc1	ZINC000264103797	443248347	/nfs/dbraw/zinc/24/83/47/443248347.db2.gz	OVSQQZDWYLLNBM-GOSISDBHSA-N	2	0	331.508	1.926	20	30		EDEDRP
C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1cc(C[NH+](C)C)ccc1C	ZINC000293198141	443949048	/nfs/dbraw/zinc/94/90/48/443949048.db2.gz	AGCIYCVGJSNTNA-UHFFFAOYSA-N	2	0	344.459	1.066	20	30		EDEDRP
C#CCN(CC)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1	ZINC000299555710	444077705	/nfs/dbraw/zinc/07/77/05/444077705.db2.gz	YNVDFJXBUFQMSS-UHFFFAOYSA-N	2	0	329.448	1.258	20	30		EDEDRP
C=CCCO[C@H](C)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1	ZINC000299620976	444097714	/nfs/dbraw/zinc/09/77/14/444097714.db2.gz	ZQGJVAWYEYHCNI-QGZVFWFLSA-N	2	0	346.475	1.691	20	30		EDEDRP
COC[C@@H](C)NC(=[NH2+])NCC1([NH+]2CCSCC2)CCCCC1	ZINC000304739438	444252210	/nfs/dbraw/zinc/25/22/10/444252210.db2.gz	BEYAJXNWONOXOW-CQSZACIVSA-N	2	0	328.526	1.677	20	30		EDEDRP
C#CC[N@@H+](C)CCCNC(=O)N(CC[NH+](C)C)Cc1cccs1	ZINC000297648513	444313509	/nfs/dbraw/zinc/31/35/09/444313509.db2.gz	ZQERDHRFAYPUEW-UHFFFAOYSA-N	2	0	336.505	1.776	20	30		EDEDRP
C[N@@H+]1CCC[C@@H]2C[NH+](C[C@@H](O)COc3ccccc3C#N)CC[C@@H]21	ZINC000325272156	444363243	/nfs/dbraw/zinc/36/32/43/444363243.db2.gz	HNCIBLZYVDAZKD-KURKYZTESA-N	2	0	329.444	1.714	20	30		EDEDRP
CCOC1CC(CNC(=O)[C@H]2CCC[N@@H+]2C)(N2CCOCC2)C1	ZINC000329897580	444757557	/nfs/dbraw/zinc/75/75/57/444757557.db2.gz	LLEPIJLHVPQUSE-ISXOHVOVSA-N	2	0	325.453	1.307	20	30		EDEDRP
C=C(C)C[NH+]1CCC(NC(=O)NC[C@]2([NH+](C)C)CCSC2)CC1	ZINC000360673368	445722051	/nfs/dbraw/zinc/72/20/51/445722051.db2.gz	AFDNSMCZGPSGCJ-QGZVFWFLSA-N	2	0	340.537	1.763	20	30		EDEDRP
C#CCC[NH+]1CCC(NC(=O)CC2([NH+]3CCOCC3)CCCC2)CC1	ZINC000370018560	446175008	/nfs/dbraw/zinc/17/50/08/446175008.db2.gz	NTXIJBDIJWGQAO-UHFFFAOYSA-N	2	0	347.503	1.625	20	30		EDEDRP
C[NH+]1CC[C@]2(CCN(CC#CCN3CC[C@@]4(CC[N@@H+](C)C4)C3)C2)C1	ZINC000366512255	446243746	/nfs/dbraw/zinc/24/37/46/446243746.db2.gz	AHLSMANGPXCZAF-BGYRXZFFSA-N	2	0	330.520	1.045	20	30		EDEDRP
C=CCN(CC=C)C(=O)[C@@H](C)[N@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1	ZINC000367619826	446568969	/nfs/dbraw/zinc/56/89/69/446568969.db2.gz	WQBOUBHUQOCMHS-IEBWSBKVSA-N	2	0	348.535	1.676	20	30		EDEDRP
C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1	ZINC000418584861	446603992	/nfs/dbraw/zinc/60/39/92/446603992.db2.gz	COQGWOLZKRODOR-QAPCUYQASA-N	2	0	343.475	1.629	20	30		EDEDRP
C=C[C@@H]1OCCC[C@H]1[NH2+]CC1(C[NH2+][C@@H]2CCCO[C@H]2C=C)COC1	ZINC000451681677	447746807	/nfs/dbraw/zinc/74/68/07/447746807.db2.gz	MTDGAHJXDZVWMM-BDXSIMOUSA-N	2	0	336.476	1.649	20	30		EDEDRP
C[C@@H]1C[N@@H+](CC2CCN(CC(=O)NC3(C#N)CCC3)CC2)C[C@H](C)O1	ZINC000525885522	448047114	/nfs/dbraw/zinc/04/71/14/448047114.db2.gz	ASMILPGFHSTAKA-IYBDPMFKSA-N	2	0	348.491	1.370	20	30		EDEDRP
C#CC[N@@H+](C)CCCNC(=O)C1CC[NH+](C2CCN(CC)CC2)CC1	ZINC000491761504	448110470	/nfs/dbraw/zinc/11/04/70/448110470.db2.gz	VXMGCDGGDYRMLV-UHFFFAOYSA-N	2	0	348.535	1.254	20	30		EDEDRP
CC1CC(C#N)(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1	ZINC000531562365	448105504	/nfs/dbraw/zinc/10/55/04/448105504.db2.gz	TWGWAYIFHQAICF-UHFFFAOYSA-N	2	0	341.459	1.650	20	30		EDEDRP
N#Cc1cccc(C[NH+]2CCC(NC(=O)NC[C@@H]3CCC[NH2+]3)CC2)c1	ZINC000593711655	449155991	/nfs/dbraw/zinc/15/59/91/449155991.db2.gz	CBCJJNDBLINZMV-SFHVURJKSA-N	2	0	341.459	1.574	20	30		EDEDRP
C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]C[C@H](O)CN(C)CCC#N	ZINC000601968565	449251504	/nfs/dbraw/zinc/25/15/04/449251504.db2.gz	ORYRGGLBRPRFND-RLLQIKCJSA-N	2	0	344.503	1.550	20	30		EDEDRP
C[NH+](C)CCNC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000593513426	449318888	/nfs/dbraw/zinc/31/88/88/449318888.db2.gz	KCENMGSZBNIVJS-UHFFFAOYSA-N	2	0	329.448	1.383	20	30		EDEDRP
C[C@@H](Cc1ccc(C#N)cc1)C(=O)N(CC[NH+](C)C)CC[NH+](C)C	ZINC000594284281	449430184	/nfs/dbraw/zinc/43/01/84/449430184.db2.gz	UKNKLPAKQSAOMZ-INIZCTEOSA-N	2	0	330.476	1.689	20	30		EDEDRP
C[C@@H](CCNc1ccc(C#N)c(NCC[C@H](C)[NH+](C)C)n1)[NH+](C)C	ZINC000596430097	449498486	/nfs/dbraw/zinc/49/84/86/449498486.db2.gz	IZKHJVPMZJVSBP-GJZGRUSLSA-N	2	0	332.496	2.457	20	30		EDEDRP
C[C@H](CNC(=O)[C@H]([NH3+])CCCCC#N)[N@@H+]1CCc2ccccc2C1	ZINC000594437138	449517016	/nfs/dbraw/zinc/51/70/16/449517016.db2.gz	IPRRGBCQKOUHSL-CRAIPNDOSA-N	2	0	328.460	1.961	20	30		EDEDRP
N#CC1(C[C@H](O)C[NH2+]Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)CC1	ZINC000600733629	449523736	/nfs/dbraw/zinc/52/37/36/449523736.db2.gz	FGLJICJNPWRLIP-ROUUACIJSA-N	2	0	329.444	1.398	20	30		EDEDRP
CC[NH+]1CCC(NC(=O)CN2CCc3c(CC#N)cccc3C2)CC1	ZINC000599675030	450145943	/nfs/dbraw/zinc/14/59/43/450145943.db2.gz	HIIOJAXPBOJPON-UHFFFAOYSA-N	2	0	340.471	1.711	20	30		EDEDRP
C=C(C)[C@@H](CO)[NH+]1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1	ZINC000649393151	452061688	/nfs/dbraw/zinc/06/16/88/452061688.db2.gz	KCFNLQKQINJERQ-GOSISDBHSA-N	2	0	337.508	1.628	20	30		EDEDRP
C=CC[C@]1(C(=O)NCc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)CCC[NH2+]1	ZINC000662859759	453574762	/nfs/dbraw/zinc/57/47/62/453574762.db2.gz	OIEOBRHGRCJGQT-AZUAARDMSA-N	2	0	343.471	1.568	20	30		EDEDRP
C[C@H]([NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1ccc(OCC#N)cc1	ZINC000776157882	580409887	/nfs/dbraw/zinc/40/98/87/580409887.db2.gz	UEGWHZRPONVGAT-RDJZCZTQSA-N	2	0	344.459	1.827	20	30		EDEDRP
C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)C12CC[NH+](CC1)C2	ZINC000900418524	592013970	/nfs/dbraw/zinc/01/39/70/592013970.db2.gz	OWYAQRQGWJZLDB-UHFFFAOYSA-N	2	0	326.444	1.544	20	30		EDEDRP
C=C(CC[NH+](C)C)C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO	ZINC000901130489	592243666	/nfs/dbraw/zinc/24/36/66/592243666.db2.gz	JAEMDASKVCBFND-RBUKOAKNSA-N	2	0	345.487	1.494	20	30		EDEDRP
CC(C)N1C/C(=C\c2cncn2C)C(=O)/C(=C\c2cncn2C)C1	ZINC000901417631	592357208	/nfs/dbraw/zinc/35/72/08/592357208.db2.gz	RFPYQGWPWIFGNQ-YOENDLTHSA-N	2	0	325.416	1.914	20	30		EDEDRP
C[NH+](C)C[C@@H]1CN(c2cc(C#N)ccc2[N+](=O)[O-])C[C@H]1C[NH+](C)C	ZINC000866010786	596756902	/nfs/dbraw/zinc/75/69/02/596756902.db2.gz	NDWRATRXKVHZRZ-HUUCEWRRSA-N	2	0	331.420	1.642	20	30		EDEDRP
C[NH+](C)C[C@@H]1CN(c2nc3ncccc3cc2C#N)C[C@H]1C[NH+](C)C	ZINC000866010197	596756950	/nfs/dbraw/zinc/75/69/50/596756950.db2.gz	HHODMDQTTOMLKS-IAGOWNOFSA-N	2	0	338.459	1.677	20	30		EDEDRP
C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@H](c1cccc(OC)c1)[NH+](C)C	ZINC000876708908	597297255	/nfs/dbraw/zinc/29/72/55/597297255.db2.gz	DIGCAYXDXBDOCM-LSDHHAIUSA-N	2	0	325.840	1.884	20	30		EDEDRP
N#Cc1cc(C[NH+]2CCC(O)CC2)cc(C[NH+]2CCC(O)CC2)c1	ZINC000877944076	597565301	/nfs/dbraw/zinc/56/53/01/597565301.db2.gz	IWPIOPWOAZMPNT-UHFFFAOYSA-N	2	0	329.444	1.472	20	30		EDEDRP
N#Cc1cc(C[NH2+][C@H](CO)C2CC2)cc(C[NH2+][C@H](CO)C2CC2)c1	ZINC000878419066	597600544	/nfs/dbraw/zinc/60/05/44/597600544.db2.gz	DPZZZYZWYRIDCP-RTBURBONSA-N	2	0	329.444	1.279	20	30		EDEDRP
Cc1ccc([C@H](CNC(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)[NH+](C)C)cc1	ZINC000884196202	598023606	/nfs/dbraw/zinc/02/36/06/598023606.db2.gz	KLGBPANQZFVGNK-NRGCRIOASA-N	2	0	340.471	1.853	20	30		EDEDRP
C[C@@H]1CCC[C@](CNC(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)([NH+](C)C)C1	ZINC000884197946	598025073	/nfs/dbraw/zinc/02/50/73/598025073.db2.gz	JNJRFPWVSJHUTE-LZRQLXOJSA-N	2	0	332.492	1.752	20	30		EDEDRP
C=CCC[NH+]1CC(N2CCN(C(=O)[C@H]3CCCC[N@H+]3CC)CC2)C1	ZINC000941674676	701614585	/nfs/dbraw/zinc/61/45/85/701614585.db2.gz	GTMHPDFRISXKFG-GOSISDBHSA-N	2	0	334.508	1.265	20	30		EDEDRP
C=C(Cl)C[NH2+][C@H]1CN(C(=O)[C@H](C)C[NH+]2CCOCC2)CC1(C)C	ZINC000996627713	702930820	/nfs/dbraw/zinc/93/08/20/702930820.db2.gz	YOQDQURAXASCAX-HIFRSBDPSA-N	2	0	343.899	1.534	20	30		EDEDRP
C=C(Br)C[NH2+]C1CCN(C(=O)C2([NH+](C)C)CCC2)CC1	ZINC000996674127	702969347	/nfs/dbraw/zinc/96/93/47/702969347.db2.gz	ZWUFNOXHMKVSNF-UHFFFAOYSA-N	2	0	344.297	1.960	20	30		EDEDRP
C=CCN1CC[NH+](C2CCC(NC(=O)[C@@H]3CCC[N@H+]3C)CC2)CC1	ZINC000996763044	703055052	/nfs/dbraw/zinc/05/50/52/703055052.db2.gz	AOVCNFCGBWWXLU-ABHNRTSZSA-N	2	0	334.508	1.312	20	30		EDEDRP
C#CC[NH2+]C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)CC1	ZINC000997034545	703286453	/nfs/dbraw/zinc/28/64/53/703286453.db2.gz	QETONIJPBVHFDJ-MOPGFXCFSA-N	2	0	325.456	1.546	20	30		EDEDRP
C[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]Cc2cccc(C#N)c2)C(C)(C)C1	ZINC000995550098	703929328	/nfs/dbraw/zinc/92/93/28/703929328.db2.gz	HUPOQAPXUPZEAK-ZWKOTPCHSA-N	2	0	340.471	1.979	20	30		EDEDRP
C[C@@H]1CC[N@H+](CC(=O)N(C)C2CC([NH2+]Cc3ccc(C#N)cc3)C2)C1	ZINC000999409835	706919691	/nfs/dbraw/zinc/91/96/91/706919691.db2.gz	TZKCPIPFQRTMLO-VNCLNFNDSA-N	2	0	340.471	1.979	20	30		EDEDRP
C#CCN(C(=O)NCCOCC[NH+](CC)CC)C1CC[NH+](C)CC1	ZINC000921937894	709082558	/nfs/dbraw/zinc/08/25/58/709082558.db2.gz	RLGVRBCVAXBKHZ-UHFFFAOYSA-N	2	0	338.496	1.084	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)N(CC)[C@@H]2CC[N@H+](C[C@H]3CCOC3)C2)CC1	ZINC001034046713	709299911	/nfs/dbraw/zinc/29/99/11/709299911.db2.gz	UTTXUXXSPIGYCY-IEBWSBKVSA-N	2	0	347.503	1.291	20	30		EDEDRP
C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CCCC[NH+](Cc3cccc(C#N)c3)C2)C1	ZINC001034526588	710179086	/nfs/dbraw/zinc/17/90/86/710179086.db2.gz	ZNGCHPPBBLODJG-RTBURBONSA-N	2	0	340.471	1.981	20	30		EDEDRP
C=C(C)C[NH2+][C@H]1CC[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)CC1	ZINC001034648957	710325655	/nfs/dbraw/zinc/32/56/55/710325655.db2.gz	XQMSKRPCLKJMHQ-WKILWMFISA-N	2	0	333.480	1.651	20	30		EDEDRP
C=C(C)C[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[NH+]2C2CCOCC2)C1	ZINC001033141878	711945156	/nfs/dbraw/zinc/94/51/56/711945156.db2.gz	PHAAJBOZQNNMOG-ROUUACIJSA-N	2	0	335.492	1.739	20	30		EDEDRP
C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CN(C)C[C@@H](C)O3)CC[C@@H]2C1	ZINC000946639907	712114183	/nfs/dbraw/zinc/11/41/83/712114183.db2.gz	KJKOYPRVNRFOLE-ZJPYXAASSA-N	2	0	335.492	1.452	20	30		EDEDRP
C[NH+]=C(NCCCN1CC[NH+](Cc2ccccc2)CC1)NC1CC1	ZINC000103337757	530039143	/nfs/dbraw/zinc/03/91/43/530039143.db2.gz	NIVMSKRNTHOPCM-UHFFFAOYSA-N	2	0	329.492	1.522	20	30		EDEDRP
COc1ccc(CCNC(=[NH2+])NC[C@H](C)[N@H+](C)C2CC2)cc1OC	ZINC000104192958	237061060	/nfs/dbraw/zinc/06/10/60/237061060.db2.gz	DOYCREODRGTLPW-ZDUSSCGKSA-N	2	0	334.464	1.633	20	30		EDEDRP
C[NH2+]C[C@H](C)CNC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1	ZINC000418383532	251363030	/nfs/dbraw/zinc/36/30/30/251363030.db2.gz	JGXPGRHMJGQACJ-INIZCTEOSA-N	2	0	343.475	1.631	20	30		EDEDRP
C=CC[NH+]1CCC(NC(=O)c2cn(C)nc2[C@H]2CCC[NH2+]C2)CC1	ZINC000424157139	252148201	/nfs/dbraw/zinc/14/82/01/252148201.db2.gz	PIXORYQLHUSYIH-AWEZNQCLSA-N	2	0	331.464	1.267	20	30		EDEDRP
N#CCCC[C@@H]([NH3+])C(=O)N1CCC(CCC[NH+]2CCOCC2)CC1	ZINC000424175470	252153344	/nfs/dbraw/zinc/15/33/44/252153344.db2.gz	QMHOANIKVHKEGP-QGZVFWFLSA-N	2	0	336.480	1.359	20	30		EDEDRP
C#CC[N@@H+](C)CCCNC(=O)NCc1ccc(C[NH+](C)C)c(F)c1	ZINC000491814559	255149164	/nfs/dbraw/zinc/14/91/64/255149164.db2.gz	DLJIICRQXYZCPE-UHFFFAOYSA-N	2	0	334.439	1.642	20	30		EDEDRP
N#Cc1ccc(CNC(=O)CN2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@@H]3C2)cc1	ZINC000369598709	155104244	/nfs/dbraw/zinc/10/42/44/155104244.db2.gz	BTWKZUWGJCIYOE-GUDVDZBRSA-N	2	0	338.455	1.591	20	30		EDEDRP
C[C@H]([NH2+][C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)c1ccc(C#N)c(F)c1	ZINC000423468107	270012480	/nfs/dbraw/zinc/01/24/80/270012480.db2.gz	XVPZSXWBKCVGDM-WILYLXEWSA-N	2	0	344.434	1.995	20	30		EDEDRP
N#Cc1ccccc1OC[C@H](O)C[NH2+]C1CC[NH+](C2CCC2)CC1	ZINC000530234163	268304148	/nfs/dbraw/zinc/30/41/48/268304148.db2.gz	PGAVDPIRPTWJMB-GOSISDBHSA-N	2	0	329.444	1.904	20	30		EDEDRP
C=CC[NH+](CC=C)[C@H](CNC(=O)[C@]1(CCOC)CC[NH2+]C1)C(C)C	ZINC000378201444	447407600	/nfs/dbraw/zinc/40/76/00/447407600.db2.gz	CYLOPJPOKIOLDP-MJGOQNOKSA-N	2	0	337.508	1.817	20	30		EDEDRP
CC[NH+]1CCN(C[C@@H](C)C[NH2+]Cc2ccc(OC)c(C#N)c2)CC1	ZINC000174349684	441915050	/nfs/dbraw/zinc/91/50/50/441915050.db2.gz	CBTXDZKHADXBJD-INIZCTEOSA-N	2	0	330.476	1.930	20	30		EDEDRP
C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)NCC#Cc1ccccc1	ZINC000079086631	442018452	/nfs/dbraw/zinc/01/84/52/442018452.db2.gz	YVKCQJSJIISDHP-UHFFFAOYSA-N	2	0	344.503	1.953	20	30		EDEDRP
CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(Cn2cncn2)cc1	ZINC000170909280	442286640	/nfs/dbraw/zinc/28/66/40/442286640.db2.gz	MDHCNBZOWZXKFQ-QGZVFWFLSA-N	2	0	341.463	1.215	20	30		EDEDRP
C[NH+]1CCN(Cc2ccc(CNC(=[NH2+])Nc3ccccn3)cc2)CC1	ZINC000170911273	442287316	/nfs/dbraw/zinc/28/73/16/442287316.db2.gz	AKOKXWGQGGFEQC-UHFFFAOYSA-N	2	0	338.459	1.756	20	30		EDEDRP
Cc1cc(C#N)ccc1C[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1	ZINC000186285661	442503800	/nfs/dbraw/zinc/50/38/00/442503800.db2.gz	DHXXYHCKGUAGAC-UHFFFAOYSA-N	2	0	328.460	1.757	20	30		EDEDRP
C=CC[NH+]1CCC(NC(=O)N2CC[N@@H+](CC(C)(C)O)C[C@@H]2C)CC1	ZINC000188570967	442764521	/nfs/dbraw/zinc/76/45/21/442764521.db2.gz	XMRQWNOZJVDNEA-HNNXBMFYSA-N	2	0	338.496	1.123	20	30		EDEDRP
CCc1nn(C)c(CC)c1CNC(=[NH+]C)N1CC[C@@H]([NH+]2CC=CC2)C1	ZINC000261684871	443164994	/nfs/dbraw/zinc/16/49/94/443164994.db2.gz	HYTAKMHWKGPYKD-OAHLLOKOSA-N	2	0	344.507	1.566	20	30		EDEDRP
CC[NH+]1CCN(CCNC(=[NH2+])Nc2ccc(OC)c(OC)c2)CC1	ZINC000264120878	443249961	/nfs/dbraw/zinc/24/99/61/443249961.db2.gz	UXICTVMSGGDWGQ-UHFFFAOYSA-N	2	0	335.452	1.068	20	30		EDEDRP
COc1ccc(CCNC(=[NH2+])NCCN2CC[N@H+](C)C(C)(C)C2)cc1	ZINC000281892573	444033840	/nfs/dbraw/zinc/03/38/40/444033840.db2.gz	YIKQKKIBAVJXQX-UHFFFAOYSA-N	2	0	347.507	1.168	20	30		EDEDRP
CN(CC[NH+](C)C)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1	ZINC000331136474	444411516	/nfs/dbraw/zinc/41/15/16/444411516.db2.gz	IQXDMJZMRSJMQT-HZPDHXFCSA-N	2	0	326.485	1.162	20	30		EDEDRP
C(#CCN1CC[N@@H+]2CCCC[C@H]2C1)CN1CC[NH+]2CCCC[C@H]2C1	ZINC000341902598	445062850	/nfs/dbraw/zinc/06/28/50/445062850.db2.gz	AAJBSZOAAWBIMX-PMACEKPBSA-N	2	0	330.520	1.330	20	30		EDEDRP
CCN(CCC#N)C(=O)C[NH+]1CCC(C)(C[NH+]2CCOCC2)CC1	ZINC000362005484	446145850	/nfs/dbraw/zinc/14/58/50/446145850.db2.gz	UVCVRQMXNGHSKD-UHFFFAOYSA-N	2	0	336.480	1.183	20	30		EDEDRP
C=CCOc1ccccc1C[NH2+]C[C@H](O)CN1C[C@H](C)O[C@@H](C)C1	ZINC000562994284	448279826	/nfs/dbraw/zinc/27/98/26/448279826.db2.gz	WUMBHWDIFTXGNZ-BQFCYCMXSA-N	2	0	334.460	1.811	20	30		EDEDRP
CC(C)[NH+]1CCC(N2CC[NH+](C[C@@H](O)CC(C)(C)C#N)CC2)CC1	ZINC000598597512	449484008	/nfs/dbraw/zinc/48/40/08/449484008.db2.gz	GDMCATRAGHJWNI-SFHVURJKSA-N	2	0	336.524	1.778	20	30		EDEDRP
C[NH+]1CCN(C[C@H]([NH2+]C[C@H](O)CC2(C#N)CC2)c2ccccc2)CC1	ZINC000600723997	449517802	/nfs/dbraw/zinc/51/78/02/449517802.db2.gz	RMNSIODUXHAEQS-MOPGFXCFSA-N	2	0	342.487	1.619	20	30		EDEDRP
N#CC1(C[C@H](O)C[NH2+]Cc2ccccc2C[N@@H+]2CC[C@@H](O)C2)CC1	ZINC000600733623	449523435	/nfs/dbraw/zinc/52/34/35/449523435.db2.gz	FGLJICJNPWRLIP-MSOLQXFVSA-N	2	0	329.444	1.398	20	30		EDEDRP
C[NH+]1CCC2(CC[N@H+](C[C@H](O)COc3ccccc3C#N)C2)CC1	ZINC000602877692	449886015	/nfs/dbraw/zinc/88/60/15/449886015.db2.gz	KFVAERAPXQSLBB-KRWDZBQOSA-N	2	0	329.444	1.716	20	30		EDEDRP
N#CCCC[C@@H]([NH3+])C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1	ZINC000595266887	449987944	/nfs/dbraw/zinc/98/79/44/449987944.db2.gz	BMZRJDXJMJEQNB-DAXOMENPSA-N	2	0	336.386	1.548	20	30		EDEDRP
C=CC[NH+]1CCC(NC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)CC1	ZINC000344791683	485953365	/nfs/dbraw/zinc/95/33/65/485953365.db2.gz	WDOZQWLYSFKGJY-MSOLQXFVSA-N	2	0	335.492	1.500	20	30		EDEDRP
CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCCNC(=O)c1cccs1	ZINC000104189298	529100750	/nfs/dbraw/zinc/10/07/50/529100750.db2.gz	YOGWOVJBMHTNNB-ZDUSSCGKSA-N	2	0	337.493	1.257	20	30		EDEDRP
C=C(CC[NH+](C)C)C(=O)N1CCN(CCn2cccn2)C[C@H]1CC	ZINC000900766944	592118310	/nfs/dbraw/zinc/11/83/10/592118310.db2.gz	XMAQRFJULBBHSU-QGZVFWFLSA-N	2	0	333.480	1.314	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)N2CCC([N@H+]3CCOC[C@@H]3C)CC2)CC1	ZINC000816682471	593540367	/nfs/dbraw/zinc/54/03/67/593540367.db2.gz	YNFCBJXGUSKQIJ-INIZCTEOSA-N	2	0	333.476	1.043	20	30		EDEDRP
CC[NH+]1CCN(c2cccc(NC(=O)N[C@@H]3C[NH2+]C[C@H]3C#N)c2)CC1	ZINC000841194566	594866838	/nfs/dbraw/zinc/86/68/38/594866838.db2.gz	MTUUASCRQWSIDG-RHSMWYFYSA-N	2	0	342.447	1.062	20	30		EDEDRP
CC[NH+](CC)CCOc1ccc(C(=O)N[C@@H]2C[NH2+]C[C@H]2C#N)cc1	ZINC000844194551	595299280	/nfs/dbraw/zinc/29/92/80/595299280.db2.gz	JVEYNPGMTKOFBK-NVXWUHKLSA-N	2	0	330.432	1.249	20	30		EDEDRP
N#Cc1cccc(C[NH+]2CCC(NC(=O)C[C@H]([NH3+])C3CC3)CC2)c1	ZINC000846700523	595304027	/nfs/dbraw/zinc/30/40/27/595304027.db2.gz	DXWBVFBDCNUHFW-SFHVURJKSA-N	2	0	326.444	1.766	20	30		EDEDRP
C=C(C)CNC(=[NH2+])NCCCC[NH+]1CCN(c2ncccn2)CC1	ZINC000849068716	595477507	/nfs/dbraw/zinc/47/75/07/595477507.db2.gz	IEARFHQQQGMSSS-UHFFFAOYSA-N	2	0	331.468	1.069	20	30		EDEDRP
CCOCCC[N@@H+]1CC[C@@H](NC(=O)C#CC2CC[NH2+]CC2)[C@H](C)C1	ZINC000852868267	595587833	/nfs/dbraw/zinc/58/78/33/595587833.db2.gz	BPYDJEZCLDHXDD-SJLPKXTDSA-N	2	0	335.492	1.243	20	30		EDEDRP
N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)N1CCC(OCCC[NH3+])CC1	ZINC000876541877	597233356	/nfs/dbraw/zinc/23/33/56/597233356.db2.gz	LGQQKVVCAOYPQX-GOSISDBHSA-N	2	0	342.443	1.101	20	30		EDEDRP
CC[NH+](CC)[C@H]1CCN(C(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)C1	ZINC000876718771	597303372	/nfs/dbraw/zinc/30/33/72/597303372.db2.gz	TVKPTPSRQNYSHQ-WMZOPIPTSA-N	2	0	326.444	1.688	20	30		EDEDRP
C[C@@H](CNC(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21)C[NH+]1CCCC1	ZINC000876729246	597309385	/nfs/dbraw/zinc/30/93/85/597309385.db2.gz	IQLGZAACMOMSLM-KBXCAEBGSA-N	2	0	326.444	1.593	20	30		EDEDRP
C=CC[C@]1(C(=O)N2C[C@@H](c3ccc(OC)cc3)[C@H]([NH3+])C2)CCC[NH2+]1	ZINC000877239572	597475157	/nfs/dbraw/zinc/47/51/57/597475157.db2.gz	RBEOFWRHXJTGKN-YQVWRLOYSA-N	2	0	329.444	1.647	20	30		EDEDRP
C#CCC[NH+]1CCN(C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1	ZINC000878312859	597594567	/nfs/dbraw/zinc/59/45/67/597594567.db2.gz	BHXUUBOXHRUYJL-HXUWFJFHSA-N	2	0	327.472	1.264	20	30		EDEDRP
C[NH+](C)[C@H](CNC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N)c1ccsc1	ZINC000884188859	598020048	/nfs/dbraw/zinc/02/00/48/598020048.db2.gz	QSLUZVSYVBJRGX-KRIMKBQASA-N	2	0	332.473	1.606	20	30		EDEDRP
C[C@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1[NH2+]Cc1cccc(C#N)c1	ZINC000939055025	699115649	/nfs/dbraw/zinc/11/56/49/699115649.db2.gz	SECJVMNLIXEJFQ-KXBFYZLASA-N	2	0	340.471	1.837	20	30		EDEDRP
C=C(C)CC[NH+]1CC(N2CCN(C(=O)C[NH+]3[C@@H](C)CC[C@@H]3C)CC2)C1	ZINC000941677675	701616145	/nfs/dbraw/zinc/61/61/45/701616145.db2.gz	SVRNOJRBOBFNEB-ROUUACIJSA-N	2	0	348.535	1.654	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)N2CCC(C)([NH2+]Cc3ccon3)CC2)CC1	ZINC000940472288	700657543	/nfs/dbraw/zinc/65/75/43/700657543.db2.gz	QHTMDPLIJPRFJI-UHFFFAOYSA-N	2	0	344.459	1.491	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](C[C@@H](C)OC)CC2(C)C)CC1	ZINC000941238682	701429108	/nfs/dbraw/zinc/42/91/08/701429108.db2.gz	ZWWAPRVGVKCMHV-AEFFLSMTSA-N	2	0	349.519	1.583	20	30		EDEDRP
C=CCC[NH+]1CC(N2CCN(C(=O)[C@H]3C[C@H]4CCCC[N@@H+]4C3)CC2)C1	ZINC000941408756	701521360	/nfs/dbraw/zinc/52/13/60/701521360.db2.gz	RWWHMNWHUBWDLB-ZWKOTPCHSA-N	2	0	346.519	1.265	20	30		EDEDRP
C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)CC1(C)C	ZINC000995891802	702190326	/nfs/dbraw/zinc/19/03/26/702190326.db2.gz	DKEAYBMECYTVIT-IAGOWNOFSA-N	2	0	335.492	1.642	20	30		EDEDRP
C=CCC[N@@H+]1CC[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@H](C)C1	ZINC000942055958	702503350	/nfs/dbraw/zinc/50/33/50/702503350.db2.gz	DANCFMQZUQOVTO-HZPDHXFCSA-N	2	0	333.480	1.461	20	30		EDEDRP
C#CCN1CCC[C@H]1C(=O)N1CCC([NH2+]CCc2ccns2)CC1	ZINC000996686350	702992950	/nfs/dbraw/zinc/99/29/50/702992950.db2.gz	SOBWLEBTVHCTMQ-KRWDZBQOSA-N	2	0	346.500	1.364	20	30		EDEDRP
C[C@@H]1C[N@H+](Cc2ccccc2C#N)CC[C@@H]1NC(=O)C[NH+]1CCCC1	ZINC000944942717	704795106	/nfs/dbraw/zinc/79/51/06/704795106.db2.gz	CKUGUMIBRFTKBS-APWZRJJASA-N	2	0	340.471	1.981	20	30		EDEDRP
C=CC[N@H+]1CCC[C@@H](N(CC)C(=O)c2ccn(CC[NH+](C)C)n2)CC1	ZINC000998009507	705179283	/nfs/dbraw/zinc/17/92/83/705179283.db2.gz	YKCQZDJYWUPQAQ-QGZVFWFLSA-N	2	0	347.507	1.947	20	30		EDEDRP
C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2ccc(F)c(C#N)c2)C1	ZINC000998721654	706153009	/nfs/dbraw/zinc/15/30/09/706153009.db2.gz	NFPLDCVWZRSYTI-SJLPKXTDSA-N	2	0	344.434	1.872	20	30		EDEDRP
C=C(C)C[NH+]1CC[C@H](n2cc(CNC(=O)[C@H]3CCCC[N@H+]3C)nn2)C1	ZINC000999996436	707676599	/nfs/dbraw/zinc/67/65/99/707676599.db2.gz	JIVVCBQZGSWNDJ-DLBZAZTESA-N	2	0	346.479	1.202	20	30		EDEDRP
CN(C(=O)C1CC[NH+](C)CC1)[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2)C1	ZINC001033390630	707764819	/nfs/dbraw/zinc/76/48/19/707764819.db2.gz	LBUDMGWGUJFCGJ-LJQANCHMSA-N	2	0	340.471	1.933	20	30		EDEDRP
C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(C#N)cc1F	ZINC001034885757	711290412	/nfs/dbraw/zinc/29/04/12/711290412.db2.gz	YPHAOZKZXFBMIQ-AEFFLSMTSA-N	2	0	344.434	1.872	20	30		EDEDRP
C#CC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](CC(C)C)C3)CC[C@@H]2C1	ZINC000946621306	711907989	/nfs/dbraw/zinc/90/79/89/711907989.db2.gz	TZQSONRBSCPGAO-CEXWTWQISA-N	2	0	331.504	1.768	20	30		EDEDRP
C#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)C2CC[NH+](CC#C)CC2)CC1	ZINC001004619843	712080827	/nfs/dbraw/zinc/08/08/27/712080827.db2.gz	MJVGQZVKUUZIRX-FQEVSTJZSA-N	2	0	341.499	1.668	20	30		EDEDRP
CC[NH+]1CCN([C@H](C)C[NH2+][C@@H]2CCC[C@@H]3O[C@@H](CC#N)C[C@H]32)CC1	ZINC000373228866	250234687	/nfs/dbraw/zinc/23/46/87/250234687.db2.gz	ORGZBCCQJDSIIL-SPOLIRPYSA-N	2	0	334.508	1.842	20	30		EDEDRP
C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCC2(C[C@@H]2C[N@H+](C)C2CC2)CC1	ZINC000374318885	250259778	/nfs/dbraw/zinc/25/97/78/250259778.db2.gz	SXWIMLRQVLFMAK-HUUCEWRRSA-N	2	0	348.491	1.583	20	30		EDEDRP
C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)[C@@H]([NH3+])CCCC#N	ZINC000424194130	252158515	/nfs/dbraw/zinc/15/85/15/252158515.db2.gz	RRGHYFKWDKUPFS-INIZCTEOSA-N	2	0	338.402	1.876	20	30		EDEDRP
C#CC[N@H+](C)CCCNC(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3	ZINC000491676522	255139257	/nfs/dbraw/zinc/13/92/57/255139257.db2.gz	OFFZPWKOMAKFMY-UHFFFAOYSA-N	2	0	332.492	1.394	20	30		EDEDRP
C[C@@H]1CN(C(=O)c2ccnc(C#N)c2)CCN1C1CC[NH+](C)CC1	ZINC000408321498	158330634	/nfs/dbraw/zinc/33/06/34/158330634.db2.gz	QXRJBIWYZSBXQA-CQSZACIVSA-N	2	0	327.432	1.194	20	30		EDEDRP
C=C(C)C[N@@H+](C)CC(=O)NC[C@H]1CN(Cc2ccccc2)CCO1	ZINC000378491567	447434844	/nfs/dbraw/zinc/43/48/44/447434844.db2.gz	HCVDJJPJBYXPEW-SFHVURJKSA-N	2	0	331.460	1.512	20	30		EDEDRP
COc1ccccc1CNC(=[NH2+])NCCC[NH+]1C[C@H](C)O[C@@H](C)C1	ZINC000170909996	442286980	/nfs/dbraw/zinc/28/69/80/442286980.db2.gz	ITUPKWKIRWZTFX-GJZGRUSLSA-N	2	0	334.464	1.599	20	30		EDEDRP
C[NH+]=C(NCC(=O)Nc1ccccc1)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C	ZINC000262023089	443179987	/nfs/dbraw/zinc/17/99/87/443179987.db2.gz	ZEHTYPJOHBTOPP-HOCLYGCPSA-N	2	0	331.464	1.519	20	30		EDEDRP
CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@]1(C)OCCc2sccc21	ZINC000262349556	443191137	/nfs/dbraw/zinc/19/11/37/443191137.db2.gz	YPGZDHHWOQSSLM-CXAGYDPISA-N	2	0	336.505	1.925	20	30		EDEDRP
C[NH+]=C(NCc1cn2ccccc2n1)N1CC[C@H]([NH+]2CCCCC2)C1	ZINC000262484520	443198086	/nfs/dbraw/zinc/19/80/86/443198086.db2.gz	SICWKZYGTNTZLZ-KRWDZBQOSA-N	2	0	340.475	1.970	20	30		EDEDRP
CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc(N2CC=CC2)cc1	ZINC000267414285	443449181	/nfs/dbraw/zinc/44/91/81/443449181.db2.gz	IWOIJFPEVMHUMM-SFHVURJKSA-N	2	0	327.476	1.951	20	30		EDEDRP
CC[NH+]1CCN(Cc2ccc(CNC(=[NH2+])N(C)C3CC3)cc2)CC1	ZINC000273321183	443567074	/nfs/dbraw/zinc/56/70/74/443567074.db2.gz	GEZOUZCCAVTOPL-UHFFFAOYSA-N	2	0	329.492	1.733	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)NCc2ccc(F)c(C[NH+](C)C)c2)CC1	ZINC000265270611	443590405	/nfs/dbraw/zinc/59/04/05/443590405.db2.gz	GOABIJNPYFBVMH-UHFFFAOYSA-N	2	0	331.435	1.849	20	30		EDEDRP
C#CC[N@H+](C)CCCNC(=O)CC[NH+]1CCN(c2ccccc2)CC1	ZINC000294015842	444099272	/nfs/dbraw/zinc/09/92/72/444099272.db2.gz	QCFYHCLMXYRTDC-UHFFFAOYSA-N	2	0	342.487	1.270	20	30		EDEDRP
CCOC(=O)N1CCC(NC(=[NH2+])NC[C@H]2CCCC[N@@H+]2CC)CC1	ZINC000304754919	444252721	/nfs/dbraw/zinc/25/27/21/444252721.db2.gz	MILDCGYJJQIPOX-OAHLLOKOSA-N	2	0	339.484	1.386	20	30		EDEDRP
C[N@@H+]1CCC[C@@H]2C[NH+](C[C@H](O)COc3ccccc3C#N)CC[C@@H]21	ZINC000325272160	444363060	/nfs/dbraw/zinc/36/30/60/444363060.db2.gz	HNCIBLZYVDAZKD-SQNIBIBYSA-N	2	0	329.444	1.714	20	30		EDEDRP
C[C@H](Cn1ccnc1)[NH+]=C([O-])N1CCC[C@@H](C[NH+]2CCOCC2)C1	ZINC000328722206	444441040	/nfs/dbraw/zinc/44/10/40/444441040.db2.gz	RTYOQKOTBHXDBR-CVEARBPZSA-N	2	0	335.452	1.230	20	30		EDEDRP
Cn1cc(CN2CCN(C(=O)N[C@@H]3CC[N@@H+]4CCCC[C@H]34)CC2)cn1	ZINC000329203046	444500615	/nfs/dbraw/zinc/50/06/15/444500615.db2.gz	YGYGEASOHRMORT-IAGOWNOFSA-N	2	0	346.479	1.079	20	30		EDEDRP
N#Cc1ccc(OC[C@H](O)C[NH2+]C2CC[NH+](CC3CC3)CC2)cc1	ZINC000581305737	322161950	/nfs/dbraw/zinc/16/19/50/322161950.db2.gz	WPAKDFORALRIKB-GOSISDBHSA-N	2	0	329.444	1.762	20	30		EDEDRP
CC[NH+]1CCC(NC(=O)NCC2(O)CC[NH+](C(C)C)CC2)CC1	ZINC000329912716	444765735	/nfs/dbraw/zinc/76/57/35/444765735.db2.gz	BKOFIAVFBSCDTK-UHFFFAOYSA-N	2	0	326.485	1.210	20	30		EDEDRP
C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)C[NH+]1CCC(C[NH+](C)C)CC1	ZINC000330538016	445024165	/nfs/dbraw/zinc/02/41/65/445024165.db2.gz	WMQLVURYLWKRNW-GDBMZVCRSA-N	2	0	338.496	1.869	20	30		EDEDRP
C#CCNC(=O)[C@@H](C)N(C)C[C@@H]1CCC[N@@H+](CC)[C@H]1c1cnn(C)c1	ZINC000364702954	445947187	/nfs/dbraw/zinc/94/71/87/445947187.db2.gz	BDZOVTBRAGAKES-SOLBZPMBSA-N	2	0	345.491	1.263	20	30		EDEDRP
CN1CCC([N@@H+]2CC[C@H](NC(=O)NCC(C)(C)CCC#N)C2)CC1	ZINC000376707870	446665378	/nfs/dbraw/zinc/66/53/78/446665378.db2.gz	XCKHKDAZROHEQU-HNNXBMFYSA-N	2	0	335.496	1.784	20	30		EDEDRP
C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2Cc1cnc2ccc(C#N)cn12	ZINC000371470362	446874658	/nfs/dbraw/zinc/87/46/58/446874658.db2.gz	KZIOPGHDIMVOTC-NXHRZFHOSA-N	2	0	339.443	1.889	20	30		EDEDRP
C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCCO[C@H](C[NH3+])C1)C(C)C	ZINC000417072860	447733737	/nfs/dbraw/zinc/73/37/37/447733737.db2.gz	XNTMORFCBOTQLR-IAGOWNOFSA-N	2	0	338.496	1.444	20	30		EDEDRP
C=CCC[C@@H](O)C[N@H+]1CCC[C@@H](CN2CCCN(C(C)=O)CC2)C1	ZINC000451540855	447738662	/nfs/dbraw/zinc/73/86/62/447738662.db2.gz	XROZGNVZWLIOHA-RBUKOAKNSA-N	2	0	337.508	1.580	20	30		EDEDRP
CC(C)[NH+]1CC[C@@H](N(C)CC#CCN(C)[C@H]2CC[N@@H+](C(C)C)C2)C1	ZINC000452111987	447816645	/nfs/dbraw/zinc/81/66/45/447816645.db2.gz	DNVOXNCYJIARTR-BGYRXZFFSA-N	2	0	334.552	1.819	20	30		EDEDRP
C#CC[N@H+](C)CCCNC(=O)NC[C@@H]1CC[NH+](Cc2ccccc2)C1	ZINC000491778962	448118286	/nfs/dbraw/zinc/11/82/86/448118286.db2.gz	JPRVIASKLOCPJJ-IBGZPJMESA-N	2	0	342.487	1.763	20	30		EDEDRP
C[NH+]1CCN(C[C@H](O)C[NH2+][C@H](CCCC#N)c2ccccc2)CC1	ZINC000580870681	448959463	/nfs/dbraw/zinc/95/94/63/448959463.db2.gz	FQMKGAMUKDZRPT-RTBURBONSA-N	2	0	330.476	1.619	20	30		EDEDRP
C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]C1CCN(Cc2cccc(C#N)c2)CC1	ZINC000593324027	449226730	/nfs/dbraw/zinc/22/67/30/449226730.db2.gz	VUOAZLWAQGPVHV-YSSFQJQWSA-N	2	0	342.487	1.865	20	30		EDEDRP
C[NH+]1CCC(C#N)(NC(=O)[C@@H]2CCC[N@H+](Cc3cccnc3)C2)CC1	ZINC000604546008	449250486	/nfs/dbraw/zinc/25/04/86/449250486.db2.gz	BVRKDCFQICATPI-QGZVFWFLSA-N	2	0	341.459	1.398	20	30		EDEDRP
C[N@@H+]1CC[C@@H](C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)C1	ZINC000593883688	449261302	/nfs/dbraw/zinc/26/13/02/449261302.db2.gz	RRHIBLBCLJGCSY-QGZVFWFLSA-N	2	0	326.444	1.591	20	30		EDEDRP
N#Cc1cccc(C[NH+]2CCC(NC(=O)CC3(C[NH3+])CC3)CC2)c1	ZINC000593919314	449287659	/nfs/dbraw/zinc/28/76/59/449287659.db2.gz	SQMDOKYMNPQSJD-UHFFFAOYSA-N	2	0	326.444	1.768	20	30		EDEDRP
N#Cc1cccc(C[NH+]2CCC(NC(=O)[C@H]3CCO[C@@H]3C[NH3+])CC2)c1	ZINC000595959023	449282339	/nfs/dbraw/zinc/28/23/39/449282339.db2.gz	LIACLQPYQRLOHB-ZWKOTPCHSA-N	2	0	342.443	1.003	20	30		EDEDRP
N#CC1(C[C@H](O)C[NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)CC1	ZINC000600731446	449522440	/nfs/dbraw/zinc/52/24/40/449522440.db2.gz	XJQXBISYPCDLHB-IBGZPJMESA-N	2	0	343.471	1.788	20	30		EDEDRP
C=CC[NH+]1CCC(NC(=O)Nc2cnn(C3CC[NH+](C)CC3)c2)CC1	ZINC000636738896	451459536	/nfs/dbraw/zinc/45/95/36/451459536.db2.gz	FUHUWNUIYKYUFD-UHFFFAOYSA-N	2	0	346.479	1.922	20	30		EDEDRP
CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H](c1ccc(F)cc1)N(C)C	ZINC000264077951	535596565	/nfs/dbraw/zinc/59/65/65/535596565.db2.gz	GHUQJZRSZCAMIP-DLBZAZTESA-N	2	0	335.471	1.817	20	30		EDEDRP
C[NH+]1CC[C@H]1CNc1cc(NC[C@@H]2CC[N@H+]2C)cc(C#N)c1[N+](=O)[O-]	ZINC000895771658	591270127	/nfs/dbraw/zinc/27/01/27/591270127.db2.gz	OFQNPPYSQBICGR-GJZGRUSLSA-N	2	0	344.419	1.698	20	30		EDEDRP
C[NH+]=C(NCc1ccco1)NCc1ccc(N2CC[NH+](C)CC2)nc1	ZINC000849047684	595475184	/nfs/dbraw/zinc/47/51/84/595475184.db2.gz	RPJYNVJQXSWUIK-UHFFFAOYSA-N	2	0	342.447	1.292	20	30		EDEDRP
C#CC[N@H+](C)CCCNC(=O)NC[C@@H]1CC[NH+]1Cc1ccccc1	ZINC000852360088	596136438	/nfs/dbraw/zinc/13/64/38/596136438.db2.gz	UAARFLISGXQVBO-SFHVURJKSA-N	2	0	328.460	1.515	20	30		EDEDRP
N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N1CCc2ccccc2[C@H]1C[NH3+]	ZINC000867981623	596644182	/nfs/dbraw/zinc/64/41/82/596644182.db2.gz	VHCNPZYCFLOSHM-UXHICEINSA-N	2	0	346.434	1.830	20	30		EDEDRP
C=C(C)[C@@H](CC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)OCC	ZINC000870021131	596711863	/nfs/dbraw/zinc/71/18/63/596711863.db2.gz	AURBFMGNBGBCDC-BRWVUGGUSA-N	2	0	325.497	1.556	20	30		EDEDRP
C[NH+]=C(NCc1c(C)nn(C)c1C)N1CC[C@H](C[NH+]2CCCC2)C1	ZINC000125100764	597134729	/nfs/dbraw/zinc/13/47/29/597134729.db2.gz	RZRHUSDYFHDQBQ-MRXNPFEDSA-N	2	0	332.496	1.530	20	30		EDEDRP
N#Cc1ccccc1N1CCC([NH2+][C@@H](C2CC2)[C@H]2CNCCO2)CC1	ZINC000873238685	597235839	/nfs/dbraw/zinc/23/58/39/597235839.db2.gz	FBFGWCNQACEFCV-UXHICEINSA-N	2	0	340.471	1.884	20	30		EDEDRP
C=C(Cl)C[C@@H]([NH3+])C(=O)NCC1([NH+]2CCCCC2)CCOCC1	ZINC000876763838	597329439	/nfs/dbraw/zinc/32/94/39/597329439.db2.gz	JDCPJXBESAAQHV-CQSZACIVSA-N	2	0	329.872	1.608	20	30		EDEDRP
C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)C#CC1CC[NH2+]CC1	ZINC000877134789	597440204	/nfs/dbraw/zinc/44/02/04/597440204.db2.gz	XPJKMARRUQZOKN-FXAWDEMLSA-N	2	0	339.483	1.874	20	30		EDEDRP
CC[NH+](CC)[C@H](CNC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N)CC(C)C	ZINC000884184248	598017629	/nfs/dbraw/zinc/01/76/29/598017629.db2.gz	KSVBPNUVIRJHMO-ISXWCOSWSA-N	2	0	334.508	1.998	20	30		EDEDRP
CC(C)[C@@H](CNC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N)[NH+]1CCC(C)CC1	ZINC000884188712	598020237	/nfs/dbraw/zinc/02/02/37/598020237.db2.gz	NWPYGKHNAVERDT-SFANZJOMSA-N	2	0	346.519	1.998	20	30		EDEDRP
CC[NH+](CC)CCN(CC(C)C)C(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N	ZINC000884193798	598022364	/nfs/dbraw/zinc/02/23/64/598022364.db2.gz	PNKFEMYCCNRUDH-TVRKMHQQSA-N	2	0	334.508	1.952	20	30		EDEDRP
C[C@@H]1CCC[C@](CNC(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)([NH+](C)C)C1	ZINC000884197949	598024827	/nfs/dbraw/zinc/02/48/27/598024827.db2.gz	JNJRFPWVSJHUTE-RIINYEKSSA-N	2	0	332.492	1.752	20	30		EDEDRP
N#C[C@H]1C[NH2+]CC12CC(C(=O)Nc1ncc(C3CC[NH2+]CC3)s1)C2	ZINC000884338103	598074192	/nfs/dbraw/zinc/07/41/92/598074192.db2.gz	YOFLGIPBCNAALI-JZLYGMAVSA-N	2	0	345.472	1.688	20	30		EDEDRP
N#C[C@@H]1C[NH2+]CC12CC(C(=O)NCC1([NH3+])C3CC4CC(C3)CC1C4)C2	ZINC000884345933	598076525	/nfs/dbraw/zinc/07/65/25/598076525.db2.gz	TZZLYCWYFPZFSZ-QPZLXGESSA-N	2	0	342.487	1.396	20	30		EDEDRP
C#CC[NH+]1CCC(NC(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)CC1	ZINC000914299423	695338297	/nfs/dbraw/zinc/33/82/97/695338297.db2.gz	SJTKLPHHLQSFHA-LJQANCHMSA-N	2	0	342.487	1.556	20	30		EDEDRP
C#CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)c3c[nH+]ccc3N(C)C)C[C@H]21	ZINC000992852251	695408438	/nfs/dbraw/zinc/40/84/38/695408438.db2.gz	CHGVYBRJALFGTF-USXIJHARSA-N	2	0	326.444	1.611	20	30		EDEDRP
C#CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C3CC[NH+](CC#C)CC3)C[C@H]21	ZINC000992927301	695458128	/nfs/dbraw/zinc/45/81/28/695458128.db2.gz	SQGAIDQADNSYNL-GUDVDZBRSA-N	2	0	327.472	1.182	20	30		EDEDRP
CC[NH+]=C(NC[C@]1(O)CCSC1)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1	ZINC000154343593	696989676	/nfs/dbraw/zinc/98/96/76/696989676.db2.gz	VONVXAFHTIZMNC-WOSRLPQWSA-N	2	0	326.510	1.035	20	30		EDEDRP
C#CC[NH2+][C@@H]1CN(C(=O)c2ccc(CC[NH+](C)C)cc2)CC1(C)C	ZINC000996300082	702691012	/nfs/dbraw/zinc/69/10/12/702691012.db2.gz	JRHVPGRVWINPJR-GOSISDBHSA-N	2	0	327.472	1.864	20	30		EDEDRP
C=C(Br)C[NH2+]C1CCN(C(=O)[C@H](CC)[NH+](C)C)CC1	ZINC000997011308	703271695	/nfs/dbraw/zinc/27/16/95/703271695.db2.gz	YEPLWLDFCNQPDB-ZDUSSCGKSA-N	2	0	332.286	1.816	20	30		EDEDRP
N#Cc1ccc(C[NH2+]C2CCN(C(=O)C[NH+]3CCCC3)CC2)cc1	ZINC000997306336	703565145	/nfs/dbraw/zinc/56/51/45/703565145.db2.gz	DRCBNGRUYOXOQG-UHFFFAOYSA-N	2	0	326.444	1.735	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)N2CCC([NH2+]Cc3cscn3)CC2)CC1	ZINC000997364242	703597584	/nfs/dbraw/zinc/59/75/84/703597584.db2.gz	JDMCQKKXLDFQGF-UHFFFAOYSA-N	2	0	346.500	1.569	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)NC2CC[NH+](C[C@H]3CCCCO3)CC2)CC1	ZINC001004201363	703928753	/nfs/dbraw/zinc/92/87/53/703928753.db2.gz	NPZNOIZQCPDUFL-LJQANCHMSA-N	2	0	347.503	1.481	20	30		EDEDRP
C=C(C)CC[N@H+]1CC[C@H](N(C)C(=O)c2ccn(CC[NH+](C)C)n2)C1	ZINC001033084632	704154540	/nfs/dbraw/zinc/15/45/40/704154540.db2.gz	IREXXQJOBJYWIX-INIZCTEOSA-N	2	0	333.480	1.557	20	30		EDEDRP
C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)CC[C@@H]2C1	ZINC000946591565	704194904	/nfs/dbraw/zinc/19/49/04/704194904.db2.gz	ZDBQFPSIUUMSIP-OTWHNJEPSA-N	2	0	329.488	1.522	20	30		EDEDRP
C#CC[NH2+][C@H]1CN(C(=O)C23CC[NH+](CC2)C3)CC[C@H]1C(F)(F)F	ZINC000998305983	705710505	/nfs/dbraw/zinc/71/05/05/705710505.db2.gz	UMOYNOUUXJNFTI-OLZOCXBDSA-N	2	0	329.366	1.084	20	30		EDEDRP
CN(C(=O)[C@@H]1CC[N@H+](C)C1)C1CC([NH2+]Cc2ccc(C#N)s2)C1	ZINC000999838356	707410263	/nfs/dbraw/zinc/41/02/63/707410263.db2.gz	WJRDALFXLODWDE-IYXRBSQSSA-N	2	0	332.473	1.650	20	30		EDEDRP
C[NH+](C)CCOCC[NH2+]Cc1cc(C#N)ccc1Br	ZINC000922006816	709419029	/nfs/dbraw/zinc/41/90/29/709419029.db2.gz	DNVJUEIZGDYTFS-UHFFFAOYSA-N	2	0	326.238	1.989	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)N[C@H]2CCCC[N@@H+](C[C@@H](CC)OC)C2)CC1	ZINC001034538555	710211707	/nfs/dbraw/zinc/21/17/07/710211707.db2.gz	PIVUHGHCEJRDKW-RBUKOAKNSA-N	2	0	349.519	1.727	20	30		EDEDRP
CC#CC[NH+]1CCC(N(C)C(=O)[C@H]2CCc3nc(C)[nH]c3C2)CC1	ZINC001005622790	710739614	/nfs/dbraw/zinc/73/96/14/710739614.db2.gz	LOEVTJHCUCXTOA-HNNXBMFYSA-N	2	0	328.460	1.769	20	30		EDEDRP
CN(CC#CCN(C)[C@H]1CC[NH+](C2CC2)C1)[C@@H]1CC[N@@H+](C2CC2)C1	ZINC000341883840	282337723	/nfs/dbraw/zinc/33/77/23/282337723.db2.gz	ORJQAIBKZZEJAE-BGYRXZFFSA-N	2	0	330.520	1.327	20	30		EDEDRP
C#CCN1CCN(C(=O)C[N@H+](CCOC)C[C@@H]2CC=CCC2)CC1	ZINC000491667256	255137700	/nfs/dbraw/zinc/13/77/00/255137700.db2.gz	MRTVNKBFLLOUFI-GOSISDBHSA-N	2	0	333.476	1.069	20	30		EDEDRP
C#C[C@@H](C)N(C)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1	ZINC000491813104	255149210	/nfs/dbraw/zinc/14/92/10/255149210.db2.gz	PXYCVINTDFTHNH-MRXNPFEDSA-N	2	0	329.448	1.257	20	30		EDEDRP
CN(C)C(=[NH+]Cc1ccc(C[NH+]=C(N(C)C)N(C)C)cc1)N(C)C	ZINC000164313079	442195185	/nfs/dbraw/zinc/19/51/85/442195185.db2.gz	UJAACYRGYMSENR-UHFFFAOYSA-N	2	0	332.496	1.645	20	30		EDEDRP
CC[NH+]=C(NC[C@@H](O)c1ccc(C)cc1)N1CC[C@H]([NH+]2CC=CC2)C1	ZINC000153476299	442284644	/nfs/dbraw/zinc/28/46/44/442284644.db2.gz	NEUHDLAARFLGTJ-RBUKOAKNSA-N	2	0	342.487	1.940	20	30		EDEDRP
CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1cccc(N2CCCC2=O)c1	ZINC000170904658	442286499	/nfs/dbraw/zinc/28/64/99/442286499.db2.gz	VJETVURAIPPEGV-KRWDZBQOSA-N	2	0	343.475	1.702	20	30		EDEDRP
C[C@H]1CC[C@H](C)[NH+]1CCN1CC[NH+](CCC(=O)N(C)CCC#N)CC1	ZINC000131369874	442370908	/nfs/dbraw/zinc/37/09/08/442370908.db2.gz	YUMPPKIHPOITLB-ROUUACIJSA-N	2	0	349.523	1.239	20	30		EDEDRP
CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCOc1ncccc1Cl	ZINC000268436497	442988438	/nfs/dbraw/zinc/98/84/38/442988438.db2.gz	KIEGCTPRJISIJD-LBPRGKRZSA-N	2	0	325.844	1.502	20	30		EDEDRP
C[C@@H]([NH2+]CCCN1CCC[C@H]1C(N)=O)c1ccc(OCC#N)cc1	ZINC000271919240	443518149	/nfs/dbraw/zinc/51/81/49/443518149.db2.gz	ZQCLUKAIXKNPAM-PBHICJAKSA-N	2	0	330.432	1.579	20	30		EDEDRP
CN(C(=O)NCCC#N)[C@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1	ZINC000334075857	444771224	/nfs/dbraw/zinc/77/12/24/444771224.db2.gz	ASPGHIVQKAPOGW-IRXDYDNUSA-N	2	0	335.496	1.879	20	30		EDEDRP
CCN1CCN(C(=O)CC2CC[NH+](CCOCCC#N)CC2)CC1	ZINC000338989605	444973193	/nfs/dbraw/zinc/97/31/93/444973193.db2.gz	IWTNPYZDFPRYEY-UHFFFAOYSA-N	2	0	336.480	1.183	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](C[C@@H]3CCCO3)C[C@@H]2C)CC1	ZINC000364547092	445931819	/nfs/dbraw/zinc/93/18/19/445931819.db2.gz	OVDIOYZMLKQAQX-YTQUADARSA-N	2	0	347.503	1.337	20	30		EDEDRP
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1	ZINC000418785110	446701410	/nfs/dbraw/zinc/70/14/10/446701410.db2.gz	HNHLCDBZISYRML-QZTJIDSGSA-N	2	0	343.475	1.759	20	30		EDEDRP
C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)[C@H]([NH3+])CCCC#N)CC1	ZINC000424150946	446860316	/nfs/dbraw/zinc/86/03/16/446860316.db2.gz	GUHVDTNQBWDKPX-IXDOHACOSA-N	2	0	335.496	1.025	20	30		EDEDRP
C#CCNC(=O)CC[NH2+]Cc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1	ZINC000491715792	448086256	/nfs/dbraw/zinc/08/62/56/448086256.db2.gz	LHSVPFJXQYXIJM-IAGOWNOFSA-N	2	0	343.471	1.525	20	30		EDEDRP
C#CC[N@H+](C)CCCNC(=O)N1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1	ZINC000491805357	448133363	/nfs/dbraw/zinc/13/33/63/448133363.db2.gz	OECKXSSFTJOUJH-WMZOPIPTSA-N	2	0	332.492	1.600	20	30		EDEDRP
C[NH+]1CCN(C[C@@H](NC(=O)[C@H]([NH3+])CCCC#N)c2ccccc2)CC1	ZINC000584836282	448649673	/nfs/dbraw/zinc/64/96/73/448649673.db2.gz	JKXZEFTUFQXAOM-QZTJIDSGSA-N	2	0	343.475	1.112	20	30		EDEDRP
CN1CCC([NH+]2CCC(NC(=O)N3CCC(CC#N)CC3)CC2)CC1	ZINC000541918310	448702808	/nfs/dbraw/zinc/70/28/08/448702808.db2.gz	XONLTOJOVWOUQH-UHFFFAOYSA-N	2	0	347.507	1.880	20	30		EDEDRP
C[C@@H]([NH3+])C[C@H](C)NC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000593715182	449157931	/nfs/dbraw/zinc/15/79/31/449157931.db2.gz	IJTBIICAAXSWHX-CABCVRRESA-N	2	0	343.475	1.948	20	30		EDEDRP
C[C@@H]([NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1)c1cccc(C#N)c1	ZINC000611388894	449278317	/nfs/dbraw/zinc/27/83/17/449278317.db2.gz	UFWOHYCQQFMNGO-CQSZACIVSA-N	2	0	326.444	1.952	20	30		EDEDRP
N#CCCCC[C@H]([NH3+])C(=O)NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1	ZINC000595961829	449283472	/nfs/dbraw/zinc/28/34/72/449283472.db2.gz	URJZCUVKXTWKNZ-ROUUACIJSA-N	2	0	344.459	1.281	20	30		EDEDRP
N#CC1(C[C@H](O)C[NH2+]CC2CC[NH+](CC3CC3)CC2)CCOCC1	ZINC000600742475	449528280	/nfs/dbraw/zinc/52/82/80/449528280.db2.gz	CZIMCYPBGLZAFT-SFHVURJKSA-N	2	0	335.492	1.769	20	30		EDEDRP
C[NH+]1CCN(Cc2cccc(NC(=O)[C@@H]([NH3+])CCCCC#N)c2)CC1	ZINC000594440053	449519865	/nfs/dbraw/zinc/51/98/65/449519865.db2.gz	YVTKPLGAAWNOMC-SFHVURJKSA-N	2	0	343.475	1.784	20	30		EDEDRP
C=C(C)[C@H](CO)[NH+]1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1	ZINC000649393152	452061259	/nfs/dbraw/zinc/06/12/59/452061259.db2.gz	KCFNLQKQINJERQ-SFHVURJKSA-N	2	0	337.508	1.628	20	30		EDEDRP
C=CC[C@]1(C(=O)NCc2ccc(OCC[NH+](C)C)cc2)CCC[NH2+]1	ZINC000662675316	453392841	/nfs/dbraw/zinc/39/28/41/453392841.db2.gz	KZHDAYPXZZBOHH-LJQANCHMSA-N	2	0	331.460	1.942	20	30		EDEDRP
C=CCOc1cccnc1C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1	ZINC000678752581	487359710	/nfs/dbraw/zinc/35/97/10/487359710.db2.gz	TYQFZTGEEPCIKC-OAHLLOKOSA-N	2	0	344.459	1.545	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)N(CC[NH+](C)C)Cc2cccs2)CC1	ZINC000175665188	526917152	/nfs/dbraw/zinc/91/71/52/526917152.db2.gz	RDYYOOPCNAKMKN-UHFFFAOYSA-N	2	0	333.501	1.984	20	30		EDEDRP
COc1ccc(CNC(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc1C#N	ZINC000747434886	579643451	/nfs/dbraw/zinc/64/34/51/579643451.db2.gz	AANVFQUGBBQRPX-UHFFFAOYSA-N	2	0	347.463	1.202	20	30		EDEDRP
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(C(C)(C)[NH3+])cc2)CC1	ZINC000906649780	592233985	/nfs/dbraw/zinc/23/39/85/592233985.db2.gz	HECRTAFOMDOTTJ-UHFFFAOYSA-N	2	0	344.459	1.586	20	30		EDEDRP
CN(CCC#N)C[C@@H](O)CNc1ccc(N2CCC[N@H+](C)CC2)cc1	ZINC000819409400	593753761	/nfs/dbraw/zinc/75/37/61/593753761.db2.gz	AWWNTBUALIJHNT-IBGZPJMESA-N	2	0	345.491	1.447	20	30		EDEDRP
N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1	ZINC000834499868	595145579	/nfs/dbraw/zinc/14/55/79/595145579.db2.gz	NQFBTUBOSSTYEB-ZMSDIMECSA-N	2	0	330.407	1.265	20	30		EDEDRP
CN1CCC[NH+]=C1NCCCC[NH+]1CCN(c2ccccc2)CC1	ZINC000849110561	595483624	/nfs/dbraw/zinc/48/36/24/595483624.db2.gz	JBVLTNAOHOMTEY-UHFFFAOYSA-N	2	0	329.492	1.870	20	30		EDEDRP
O=C(C#CC1CC[NH2+]CC1)N1CCC[N@H+](Cc2ccccc2)CC1	ZINC000852791282	595543905	/nfs/dbraw/zinc/54/39/05/595543905.db2.gz	YFBNCTYMIDKHFV-UHFFFAOYSA-N	2	0	325.456	1.724	20	30		EDEDRP
C=CC[NH+]1CCC(NC(=O)[C@@H]2CC[N@@H+](C)C[C@@H]2c2cnn(C)c2)CC1	ZINC000849522108	595558317	/nfs/dbraw/zinc/55/83/17/595558317.db2.gz	JJIROEXYIIKPLW-QZTJIDSGSA-N	2	0	345.491	1.222	20	30		EDEDRP
C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)C#CC1CC[NH2+]CC1	ZINC000852884200	595597856	/nfs/dbraw/zinc/59/78/56/595597856.db2.gz	GSSVUPYAKXYBFK-APWZRJJASA-N	2	0	325.456	1.626	20	30		EDEDRP
C[N@H+](CCNC(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21)Cc1ccccc1	ZINC000867962007	596636058	/nfs/dbraw/zinc/63/60/58/596636058.db2.gz	JNOQMMBDOFZYMK-FQEVSTJZSA-N	2	0	348.450	1.993	20	30		EDEDRP
N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)N1C[C@H](C[NH3+])Cc2ccccc21	ZINC000868050828	596669620	/nfs/dbraw/zinc/66/96/20/596669620.db2.gz	ZLBZJXUAVZIOPB-MGPUTAFESA-N	2	0	346.434	1.909	20	30		EDEDRP
C[NH+](C)C[C@@H]1CN(C(=O)[C@]2(C#N)CC23CCCC3)C[C@H]1C[NH+](C)C	ZINC000870017447	596709575	/nfs/dbraw/zinc/70/95/75/596709575.db2.gz	OBSMJBXTNQCZLS-GPMSIDNRSA-N	2	0	332.492	1.658	20	30		EDEDRP
C#Cc1cccc(CNC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c1	ZINC000875649960	596933195	/nfs/dbraw/zinc/93/31/95/596933195.db2.gz	AZDLGRIDGKXWMU-RTBURBONSA-N	2	0	342.487	1.549	20	30		EDEDRP
CC[NH+]1CC[C@@H]1CNc1nc(NC[C@@H]2CC[N@H+]2CC)ccc1C#N	ZINC000882959274	598116911	/nfs/dbraw/zinc/11/69/11/598116911.db2.gz	AAVBWIQFRBOJOS-JKSUJKDBSA-N	2	0	328.464	1.965	20	30		EDEDRP
C=C(C)C[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)COC3CC[NH+](C)CC3)C[C@@H]21	ZINC000992881716	695428639	/nfs/dbraw/zinc/42/86/39/695428639.db2.gz	XQMCITASXZLIPO-NZSAHSFTSA-N	2	0	349.519	1.890	20	30		EDEDRP
C=C(C)C[NH2+][C@@H]1CN(C(=O)c2cc(CN3CCCC3)on2)C[C@H]1C	ZINC000939148407	699251257	/nfs/dbraw/zinc/25/12/57/699251257.db2.gz	TZMNMYGUWZAWDH-RHSMWYFYSA-N	2	0	332.448	1.897	20	30		EDEDRP
C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1[NH2+]Cc1ccc(C#N)s1	ZINC000939545292	699687447	/nfs/dbraw/zinc/68/74/47/699687447.db2.gz	NNDDVYJHBLGVKF-CZUORRHYSA-N	2	0	344.484	1.652	20	30		EDEDRP
C=CCC[NH+]1CC(N2CCN(C(=O)C34CCC[NH+](CCC3)C4)CC2)C1	ZINC000941454494	701548272	/nfs/dbraw/zinc/54/82/72/701548272.db2.gz	GXQJTKCGTYHCRI-UHFFFAOYSA-N	2	0	346.519	1.267	20	30		EDEDRP
C=CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1	ZINC000999192880	706625962	/nfs/dbraw/zinc/62/59/62/706625962.db2.gz	IOQSVKRPLMSSOG-KURKYZTESA-N	2	0	335.492	1.500	20	30		EDEDRP
C#CC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]4CCCC[N@@H+]4C3)CC[C@@H]2C1	ZINC000946591509	704193437	/nfs/dbraw/zinc/19/34/37/704193437.db2.gz	WSBOCGYOJFLDHN-FCGDIQPGSA-N	2	0	329.488	1.664	20	30		EDEDRP
C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)CC[C@@H]1NC(=O)C[NH+]1CCCC1	ZINC000944942780	704795209	/nfs/dbraw/zinc/79/52/09/704795209.db2.gz	DAQAUNVYBKKZMN-APWZRJJASA-N	2	0	340.471	1.981	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)N(C)[C@@H]2CC[N@@H+](C[C@@H](CC)OC)C2)CC1	ZINC001033686061	708500330	/nfs/dbraw/zinc/50/03/30/708500330.db2.gz	ZGNVQTGMYDFIHT-QZTJIDSGSA-N	2	0	335.492	1.289	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)N(C)[C@H]2CC[N@H+](Cc3cccnc3)C2)CC1	ZINC001033689437	708519347	/nfs/dbraw/zinc/51/93/47/708519347.db2.gz	YSKIDDBKRLXDEC-IBGZPJMESA-N	2	0	340.471	1.460	20	30		EDEDRP
C=CCC[N@H+]1CC[C@@H](N(CC)C(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1	ZINC001033905911	709033891	/nfs/dbraw/zinc/03/38/91/709033891.db2.gz	MTYKWCGZGURTCF-VZDIDWBNSA-N	2	0	333.476	1.349	20	30		EDEDRP
C=CCC[N@H+]1CCCC[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1	ZINC001034435240	710007892	/nfs/dbraw/zinc/00/78/92/710007892.db2.gz	IARUMSJFWFRQGW-KRWDZBQOSA-N	2	0	333.480	1.605	20	30		EDEDRP
N#Cc1ccc(C[NH+]2CCC(NC(=O)C34CC[NH+](CC3)C4)CC2)cc1	ZINC001003974919	711134817	/nfs/dbraw/zinc/13/48/17/711134817.db2.gz	OYMIJXJJQIMQPK-UHFFFAOYSA-N	2	0	338.455	1.735	20	30		EDEDRP
C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(C#N)cc1	ZINC001034883983	711287054	/nfs/dbraw/zinc/28/70/54/711287054.db2.gz	YNLIDVRERSCUPF-QZTJIDSGSA-N	2	0	326.444	1.733	20	30		EDEDRP
C[NH2+]C[C@@H](C)CNC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1	ZINC000418383534	251364394	/nfs/dbraw/zinc/36/43/94/251364394.db2.gz	JGXPGRHMJGQACJ-MRXNPFEDSA-N	2	0	343.475	1.631	20	30		EDEDRP
C[C@H]([NH2+][C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)c1cccc(C#N)c1	ZINC000423447350	270012218	/nfs/dbraw/zinc/01/22/18/270012218.db2.gz	DCXKWROKEXPUNI-IRWQIABSSA-N	2	0	326.444	1.856	20	30		EDEDRP
CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CCN(C)c2ccccc21	ZINC000170907814	442286654	/nfs/dbraw/zinc/28/66/54/442286654.db2.gz	JUFQIVAHQZYKAM-JKSUJKDBSA-N	2	0	329.492	1.999	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)N2CCC(OCCC[NH+](C)C)CC2)CC1	ZINC000177099470	442296960	/nfs/dbraw/zinc/29/69/60/442296960.db2.gz	OWGNIKMTJBNAPT-UHFFFAOYSA-N	2	0	335.492	1.291	20	30		EDEDRP
C=CCNC(=O)NC(=O)[C@H](C)N1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1	ZINC000261884774	443173410	/nfs/dbraw/zinc/17/34/10/443173410.db2.gz	YZYJVZCKVIRCLZ-IMJJTQAJSA-N	2	0	330.432	1.061	20	30		EDEDRP
CC[NH+]1CCN(Cc2ccccc2C[NH+]=C(N(C)C)N(C)C)CC1	ZINC000262009368	443179532	/nfs/dbraw/zinc/17/95/32/443179532.db2.gz	SQTXWFXZSNLUIU-UHFFFAOYSA-N	2	0	331.508	1.803	20	30		EDEDRP
CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1cnn(-c2ccccc2)c1	ZINC000264123010	443251025	/nfs/dbraw/zinc/25/10/25/443251025.db2.gz	RLYCNSGYDAOLMB-QGZVFWFLSA-N	2	0	326.448	1.761	20	30		EDEDRP
CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1cccc2c1OCCCO2	ZINC000269306632	443275552	/nfs/dbraw/zinc/27/55/52/443275552.db2.gz	UALODSVWNCSDJJ-HNNXBMFYSA-N	2	0	332.448	1.737	20	30		EDEDRP
CC[NH+]1CCN([C@H]2CC[N@H+](Cc3ccc(C#N)c(OC)c3)C2)CC1	ZINC000282490973	443354305	/nfs/dbraw/zinc/35/43/05/443354305.db2.gz	XMSUIFQPJBASJO-SFHVURJKSA-N	2	0	328.460	1.779	20	30		EDEDRP
C[C@@H](CN1CC[NH+](C)CC1)[NH2+]C1CCN(c2ccc(C#N)cc2)CC1	ZINC000286000192	444173335	/nfs/dbraw/zinc/17/33/35/444173335.db2.gz	IPCLSPJRDPTUBD-KRWDZBQOSA-N	2	0	341.503	1.753	20	30		EDEDRP
C[N@H+](C[C@H](O)CN1CCC[NH+](Cc2ccc(C#N)cc2)CC1)C1CC1	ZINC000290033026	444233460	/nfs/dbraw/zinc/23/34/60/444233460.db2.gz	QJKYXLQCUGJAEH-FQEVSTJZSA-N	2	0	342.487	1.521	20	30		EDEDRP
CCC[NH+]1CCC(NC(=O)N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)CC1	ZINC000331240063	444454666	/nfs/dbraw/zinc/45/46/66/444454666.db2.gz	WNFLTXAWUICQOP-OAHLLOKOSA-N	2	0	340.512	1.552	20	30		EDEDRP
C=C(C)C[NH+]1CCC(NC(=O)N(C)C[C@@H]2C[C@@H](OC)C[N@H+]2C)CC1	ZINC000347087306	445231254	/nfs/dbraw/zinc/23/12/54/445231254.db2.gz	GMFPDDKOXWTMDB-DLBZAZTESA-N	2	0	338.496	1.387	20	30		EDEDRP
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NCCC[NH2+]C1CC1	ZINC000418301368	446491002	/nfs/dbraw/zinc/49/10/02/446491002.db2.gz	OSEFGRMZXKZJMQ-UHFFFAOYSA-N	2	0	343.475	1.774	20	30		EDEDRP
C#CCN1CCN(C(=O)CN[C@H](COC)c2ccc(Cl)cc2)CC1	ZINC000491758594	448108797	/nfs/dbraw/zinc/10/87/97/448108797.db2.gz	IHZOKUKWMKKAOI-QGZVFWFLSA-N	2	0	349.862	1.395	20	30		EDEDRP
COc1ccc(C#N)cc1NC(=O)N(CC[NH+](C)C)CC[NH+](C)C	ZINC000527376262	448220574	/nfs/dbraw/zinc/22/05/74/448220574.db2.gz	DYLMUZOHDRGGAT-UHFFFAOYSA-N	2	0	333.436	1.524	20	30		EDEDRP
N#CCc1ccc(OC[C@H](O)C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1	ZINC000591726579	448474289	/nfs/dbraw/zinc/47/42/89/448474289.db2.gz	QJLNUZZHTRUKIG-RCCFBDPRSA-N	2	0	329.444	1.709	20	30		EDEDRP
C[NH+](C)Cc1cccc(C[NH2+]C[C@@H](O)CC2(C#N)CCOCC2)c1	ZINC000600717724	449515936	/nfs/dbraw/zinc/51/59/36/449515936.db2.gz	MJHYAEDMYRCMIQ-SFHVURJKSA-N	2	0	331.460	1.909	20	30		EDEDRP
C[NH+](C)C[C@H]1CN(C(=O)[C@@H]([NH3+])CCCCC#N)c2ccccc2O1	ZINC000594437503	449516138	/nfs/dbraw/zinc/51/61/38/449516138.db2.gz	CNIFRQAIPIUDNH-GJZGRUSLSA-N	2	0	330.432	1.753	20	30		EDEDRP
CN1CCN(c2cc[nH+]cc2NC(=O)[C@@H]([NH3+])CCCCC#N)CC1	ZINC000594438533	449517645	/nfs/dbraw/zinc/51/76/45/449517645.db2.gz	JXJSELHWEQLDPU-AWEZNQCLSA-N	2	0	330.436	1.183	20	30		EDEDRP
C[NH+]1CCN(C[C@@H]([NH2+]C[C@H](O)CC2(C#N)CC2)c2ccccc2)CC1	ZINC000600724000	449517694	/nfs/dbraw/zinc/51/76/94/449517694.db2.gz	RMNSIODUXHAEQS-RTBURBONSA-N	2	0	342.487	1.619	20	30		EDEDRP
C[C@@H](CCC#N)C[NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1	ZINC000602541953	449662652	/nfs/dbraw/zinc/66/26/52/449662652.db2.gz	PCTOQTJYLCDSKK-KRWDZBQOSA-N	2	0	330.480	1.908	20	30		EDEDRP
C=CC[C@@]1(C(=O)N2CCC(C[NH+]3CCN(C)CC3)CC2)CCC[NH2+]1	ZINC000662788247	453522020	/nfs/dbraw/zinc/52/20/20/453522020.db2.gz	LNZJUCIZNAVXMN-IBGZPJMESA-N	2	0	334.508	1.171	20	30		EDEDRP
CC(C)(C)[NH2+]CCNC1=[NH+]C[C@H]2CN(C(=O)OC(C)(C)C)CCN12	ZINC000089120874	526327458	/nfs/dbraw/zinc/32/74/58/526327458.db2.gz	MYVFBOCDMNGHBS-ZDUSSCGKSA-N	2	0	339.484	1.255	20	30		EDEDRP
C[NH+]=C(NC[C@@H](C)N1CC[NH+](C)CC1)N1CCSC(C)(C)C1	ZINC000126411766	526369406	/nfs/dbraw/zinc/36/94/06/526369406.db2.gz	VJMRLCKTHLQRFH-CQSZACIVSA-N	2	0	327.542	1.025	20	30		EDEDRP
CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccccc1-n1ccnc1	ZINC000264074702	535550007	/nfs/dbraw/zinc/55/00/07/535550007.db2.gz	FIHYWPPJMRNTDK-MRXNPFEDSA-N	2	0	326.448	1.761	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)N2CCC[N@H+](C[C@@H]3CCCO3)CC2)CC1	ZINC000751384513	579803948	/nfs/dbraw/zinc/80/39/48/579803948.db2.gz	RFSRCOULBXSDQH-SFHVURJKSA-N	2	0	333.476	1.045	20	30		EDEDRP
C=C(CC[NH+](C)C)C(=O)N[C@@H](CN1CC[NH+](C)CC1)c1ccccc1	ZINC000900541658	592051753	/nfs/dbraw/zinc/05/17/53/592051753.db2.gz	FWULRWFGGPAEFK-IBGZPJMESA-N	2	0	344.503	1.599	20	30		EDEDRP
C=C(CC[NH+](C)C)C(=O)N1CCN(CCn2cccn2)C[C@@H]1CC	ZINC000900766942	592118364	/nfs/dbraw/zinc/11/83/64/592118364.db2.gz	XMAQRFJULBBHSU-KRWDZBQOSA-N	2	0	333.480	1.314	20	30		EDEDRP
Cc1cc(C#N)cc(C)c1C[NH2+][C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1	ZINC000903526507	592198300	/nfs/dbraw/zinc/19/83/00/592198300.db2.gz	JIYAKDCIKDWDFR-QUCCMNQESA-N	2	0	340.471	1.912	20	30		EDEDRP
CC[C@H](C#N)Oc1cccc(C[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)c1	ZINC000819068749	593737114	/nfs/dbraw/zinc/73/71/14/593737114.db2.gz	RQROTGOPJLMVDK-QZTJIDSGSA-N	2	0	346.475	1.065	20	30		EDEDRP
CC[C@@H](C#N)Oc1cccc(C[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)c1	ZINC000819068748	593737187	/nfs/dbraw/zinc/73/71/87/593737187.db2.gz	RQROTGOPJLMVDK-MSOLQXFVSA-N	2	0	346.475	1.065	20	30		EDEDRP
C#C[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)C1CCOCC1	ZINC000827565339	594234273	/nfs/dbraw/zinc/23/42/73/594234273.db2.gz	LGBFXEZDDUTQNL-FQEVSTJZSA-N	2	0	327.472	1.956	20	30		EDEDRP
CC(C)(C)C#CC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1	ZINC000837378600	595095567	/nfs/dbraw/zinc/09/55/67/595095567.db2.gz	CEUSMHAVHPTLNH-UHFFFAOYSA-N	2	0	328.460	1.759	20	30		EDEDRP
C=C(C)CONC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1	ZINC000845595736	595523161	/nfs/dbraw/zinc/52/31/61/595523161.db2.gz	WNUHVGCSLXOVOB-UHFFFAOYSA-N	2	0	333.436	1.401	20	30		EDEDRP
O=C(C#CC1CC[NH2+]CC1)NCC1([NH+]2CCSCC2)CCCC1	ZINC000852860212	595582206	/nfs/dbraw/zinc/58/22/06/595582206.db2.gz	NNTLLRUTPCIISL-UHFFFAOYSA-N	2	0	335.517	1.467	20	30		EDEDRP
CC1CC[NH+](C[C@@H]2CCCN(C(=O)C#CC3CC[NH2+]CC3)C2)CC1	ZINC000852862839	595584054	/nfs/dbraw/zinc/58/40/54/595584054.db2.gz	HZJRUKGPXPCPRS-IBGZPJMESA-N	2	0	331.504	1.960	20	30		EDEDRP
C[NH+](C)C1(CNC(=O)C#CC2CC[NH2+]CC2)Cc2ccccc2C1	ZINC000852869612	595589502	/nfs/dbraw/zinc/58/95/02/595589502.db2.gz	CQLRXJJQGZSJSO-UHFFFAOYSA-N	2	0	325.456	1.205	20	30		EDEDRP
C=C(C[NH+](C)C)C(=O)NC[C@@H]1C[N@H+](C)CCN1Cc1ccccc1	ZINC000856328149	595955676	/nfs/dbraw/zinc/95/56/76/595955676.db2.gz	JWCICTSKEFDEMB-GOSISDBHSA-N	2	0	330.476	1.037	20	30		EDEDRP
N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N[C@@H](CC[NH3+])C(F)(F)F	ZINC000867980324	596643144	/nfs/dbraw/zinc/64/31/44/596643144.db2.gz	QXRGXFPGBDGULW-STQMWFEESA-N	2	0	326.322	1.141	20	30		EDEDRP
N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N1C[C@H]([NH3+])Cc2ccccc21	ZINC000867980650	596643444	/nfs/dbraw/zinc/64/34/44/596643444.db2.gz	WRSUEPCPCDZOJO-APWZRJJASA-N	2	0	332.407	1.662	20	30		EDEDRP
C#CCOc1ccc(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)cc1	ZINC000870020960	596712075	/nfs/dbraw/zinc/71/20/75/596712075.db2.gz	JINOGGWHTQDFTM-QZTJIDSGSA-N	2	0	343.471	1.510	20	30		EDEDRP
C[C@H]([NH2+]CCCN1CCC[C@@H]1C(=O)N(C)C)c1cccc(C#N)c1[O-]	ZINC000866253562	596838504	/nfs/dbraw/zinc/83/85/04/596838504.db2.gz	KQUMBSIGQWZPLT-WMLDXEAASA-N	2	0	344.459	1.857	20	30		EDEDRP
N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2	ZINC000876801653	597345175	/nfs/dbraw/zinc/34/51/75/597345175.db2.gz	HFZKNSSUZRMDQE-KZNAEPCWSA-N	2	0	338.455	1.516	20	30		EDEDRP
C[NH+](C)[C@H]1CCCN(C(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)CC1	ZINC000876883619	597369325	/nfs/dbraw/zinc/36/93/25/597369325.db2.gz	KZEANLPYLFYZAQ-WMZOPIPTSA-N	2	0	326.444	1.688	20	30		EDEDRP
C[NH+]1CCC(CNC(=O)[C@@H]([NH3+])CCCC#N)(c2ccccc2)CC1	ZINC000877224641	597466394	/nfs/dbraw/zinc/46/63/94/597466394.db2.gz	LNYAFGBXHWGAOR-KRWDZBQOSA-N	2	0	328.460	1.787	20	30		EDEDRP
CN(C)c1ccc(C#N)cc1CN1CCC([N@@H+]2CC[C@@H](O)C2)CC1	ZINC000877640628	597543382	/nfs/dbraw/zinc/54/33/82/597543382.db2.gz	QKTCEZQMHKWJHC-GOSISDBHSA-N	2	0	328.460	1.655	20	30		EDEDRP
C#CCN1CCN(C(=O)C[N@H+](CC(C)C)CC2CC[NH+](C)CC2)CC1	ZINC000879705058	597695826	/nfs/dbraw/zinc/69/58/26/597695826.db2.gz	ZDYHHLDJGYJWKP-UHFFFAOYSA-N	2	0	348.535	1.064	20	30		EDEDRP
C[NH+]1CCC2(CC1)CC[NH+](CC(=O)NCc1cccc(C#N)c1)CC2	ZINC000879248310	597864079	/nfs/dbraw/zinc/86/40/79/597864079.db2.gz	QRTQCPMKJUDMMX-UHFFFAOYSA-N	2	0	340.471	1.982	20	30		EDEDRP
C[NH+](C)CCN(Cc1ccccn1)C(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N	ZINC000884310966	598061720	/nfs/dbraw/zinc/06/17/20/598061720.db2.gz	NUUDFQJUNPTKBS-KOHRHEQBSA-N	2	0	341.459	1.111	20	30		EDEDRP
C#CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)c3c[nH+]ccc3N(C)C)C[C@H]21	ZINC000992852244	695408403	/nfs/dbraw/zinc/40/84/03/695408403.db2.gz	CHGVYBRJALFGTF-DJIMGWMZSA-N	2	0	326.444	1.611	20	30		EDEDRP
C=C(C)C[N@H+]1CCC[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@@H]1C	ZINC000993359896	696005851	/nfs/dbraw/zinc/00/58/51/696005851.db2.gz	DSEQIIMKZDBIDU-JKSUJKDBSA-N	2	0	333.480	1.604	20	30		EDEDRP
C#CCC[N@H+]1CCC[C@@H](NC(=O)Cn2cnc3c2CCCC3)[C@H]1C	ZINC000993622274	696266062	/nfs/dbraw/zinc/26/60/62/696266062.db2.gz	OGMWPXSJFNNUNP-HZPDHXFCSA-N	2	0	328.460	1.754	20	30		EDEDRP
N#Cc1ccc(C[NH+]2CC(CNC(=O)C34CCC[NH+]3CCC4)C2)cc1	ZINC001031812436	699497388	/nfs/dbraw/zinc/49/73/88/699497388.db2.gz	CDEDDUZCWCYORT-UHFFFAOYSA-N	2	0	338.455	1.735	20	30		EDEDRP
C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1[NH2+]Cc1cc(C#N)ccc1F	ZINC000939753489	699903031	/nfs/dbraw/zinc/90/30/31/699903031.db2.gz	GCEPEOIGVTURBT-RDTXWAMCSA-N	2	0	344.434	1.730	20	30		EDEDRP
N#Cc1ccc(C[NH2+]C2CCN(C(=O)C34CC[NH+](CC3)C4)CC2)cc1	ZINC000997191747	703488585	/nfs/dbraw/zinc/48/85/85/703488585.db2.gz	GKLMBGMAKSLCTO-UHFFFAOYSA-N	2	0	338.455	1.735	20	30		EDEDRP
N#Cc1cc(C[NH2+]C2CCN(C(=O)C[NH+]3CCCC3)CC2)ccc1F	ZINC000997307519	703565820	/nfs/dbraw/zinc/56/58/20/703565820.db2.gz	SYPFGHFQMRDSSB-UHFFFAOYSA-N	2	0	344.434	1.874	20	30		EDEDRP
C=C(Br)C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C)C1	ZINC000998724440	706155778	/nfs/dbraw/zinc/15/57/78/706155778.db2.gz	UCOCCWBMIZFZMG-STQMWFEESA-N	2	0	330.270	1.570	20	30		EDEDRP
CN(C(=O)C[C@H]1CC[N@H+](C)C1)C1CC([NH2+]Cc2ccccc2C#N)C1	ZINC000999689246	707244739	/nfs/dbraw/zinc/24/47/39/707244739.db2.gz	QDUGDGWPMZQSPQ-VNCLNFNDSA-N	2	0	340.471	1.979	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)N(C)[C@H]2CC[N@H+](CCOC3CCC3)C2)CC1	ZINC001033684040	708495637	/nfs/dbraw/zinc/49/56/37/708495637.db2.gz	CFODDAWIMPGFBP-SFHVURJKSA-N	2	0	347.503	1.433	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)N(C)[C@H]2CC[N@H+](CC[C@H]3CCCO3)C2)CC1	ZINC001033687234	708500815	/nfs/dbraw/zinc/50/08/15/708500815.db2.gz	DEOJFRWWVSBUKM-RBUKOAKNSA-N	2	0	347.503	1.433	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)N2CC[C@]3(C2)CCC[N@@H+](CCOC)C3)CC1	ZINC001040541592	708752661	/nfs/dbraw/zinc/75/26/61/708752661.db2.gz	CAEPYKCXLTVTHM-HXUWFJFHSA-N	2	0	347.503	1.293	20	30		EDEDRP
C[C@@H]1[C@H](C(=O)NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC[N@@H+]1C	ZINC001002850871	709461601	/nfs/dbraw/zinc/46/16/01/709461601.db2.gz	CGSSAIZMNRKMDE-DNVCBOLYSA-N	2	0	340.471	1.979	20	30		EDEDRP
C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NC1CC[NH+](Cc2ccc(C#N)cc2)CC1	ZINC001003634334	710461993	/nfs/dbraw/zinc/46/19/93/710461993.db2.gz	JPEGJNUNESSIJH-BEFAXECRSA-N	2	0	340.471	1.837	20	30		EDEDRP
C#CCC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CCC[NH+]2C2CCOCC2)C1	ZINC001033139642	711935822	/nfs/dbraw/zinc/93/58/22/711935822.db2.gz	HLJFKGDRDPWPEH-ZWKOTPCHSA-N	2	0	333.476	1.186	20	30		EDEDRP
CC(=O)N1CCC(NC(=O)CN2CC[C@@H](Oc3ccncc3)C2)CC1	ZINC000329204756	539420685	/nfs/dbraw/zinc/42/06/85/539420685.db2.gz	DDGKELJLYXFEOJ-QGZVFWFLSA-N	2	0	346.431	1.502	20	30		EDEDRP
C[NH+](C)CCNC(=O)C1CC[NH+](CC#Cc2ccc(F)cc2)CC1	ZINC000178647362	232337786	/nfs/dbraw/zinc/33/77/86/232337786.db2.gz	SICAZLBPIFZJNA-UHFFFAOYSA-N	2	0	331.435	1.567	20	30		EDEDRP
C[C@@H]1C[C@H](N(C)CC#CCN(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)CC[NH+]1C	ZINC000341890753	250003680	/nfs/dbraw/zinc/00/36/80/250003680.db2.gz	MSRCDMBHQPRGPZ-UAFMIMERSA-N	2	0	334.552	1.819	20	30		EDEDRP
COc1ccc(CCNC(=[NH2+])NCCC2CC[NH+](C)CC2)cc1OC	ZINC000104181104	533478755	/nfs/dbraw/zinc/47/87/55/533478755.db2.gz	VFNZKGBPNXHCPQ-UHFFFAOYSA-N	2	0	348.491	1.883	20	30		EDEDRP
N#Cc1ccc(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)o1	ZINC000339582683	142083625	/nfs/dbraw/zinc/08/36/25/142083625.db2.gz	ZKEIOYFMDXPJRE-UHFFFAOYSA-N	2	0	339.399	1.488	20	30		EDEDRP
C[NH2+][C@H](C)CNC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1	ZINC000418628349	267351661	/nfs/dbraw/zinc/35/16/61/267351661.db2.gz	OWOCABDLENEVCL-OAHLLOKOSA-N	2	0	329.448	1.383	20	30		EDEDRP
N#Cc1ccccc1OC[C@H](O)C[NH+]1CCC(c2c[nH]cn2)CC1	ZINC000528427572	268299095	/nfs/dbraw/zinc/29/90/95/268299095.db2.gz	WATGODXPMVSUKB-MRXNPFEDSA-N	2	0	326.400	1.901	20	30		EDEDRP
CC[NH+]=C(NC[C@H](O)c1ccc(C)cc1)N1CC[C@H]([NH+]2CC=CC2)C1	ZINC000153476194	442284826	/nfs/dbraw/zinc/28/48/26/442284826.db2.gz	NEUHDLAARFLGTJ-OALUTQOASA-N	2	0	342.487	1.940	20	30		EDEDRP
CCN1CC[NH+](CCCCNC(=[NH2+])NCc2ccccc2OC)CC1	ZINC000170903808	442285788	/nfs/dbraw/zinc/28/57/88/442285788.db2.gz	LDZYQIWKFQQKAN-UHFFFAOYSA-N	2	0	347.507	1.517	20	30		EDEDRP
CN(C(=[NH2+])NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1)C1CC1	ZINC000273313223	443566030	/nfs/dbraw/zinc/56/60/30/443566030.db2.gz	CQRUHERGRWIVKJ-MRXNPFEDSA-N	2	0	343.475	1.293	20	30		EDEDRP
C#CC[NH+](C)CCCNC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000297473514	444290650	/nfs/dbraw/zinc/29/06/50/444290650.db2.gz	LUVBUGVVPGWRDP-IBGZPJMESA-N	2	0	342.487	1.857	20	30		EDEDRP
C[C@@H]([NH2+]CCCC[NH+]1CCN(CCO)CC1)c1cccc(C#N)c1	ZINC000344116041	444789359	/nfs/dbraw/zinc/78/93/59/444789359.db2.gz	FULVORSKHSZRDK-QGZVFWFLSA-N	2	0	330.476	1.599	20	30		EDEDRP
C[NH+](C)CCCN(CCC[NH+](C)C)Cc1cnc2ccc(C#N)cn12	ZINC000348903503	445435895	/nfs/dbraw/zinc/43/58/95/445435895.db2.gz	HNSMAJUJXSNYNL-UHFFFAOYSA-N	2	0	342.491	1.911	20	30		EDEDRP
C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)[NH2+][C@H]1CCC[C@H](C#N)C1	ZINC000361431111	445767145	/nfs/dbraw/zinc/76/71/45/445767145.db2.gz	BXCDZSQLEVQVCF-FHWLQOOXSA-N	2	0	342.487	1.947	20	30		EDEDRP
CC[NH+](CC)CCO[C@@H]1CCN([C@H](C(N)=O)c2ccc(C#N)cc2)C1	ZINC000350242856	445798377	/nfs/dbraw/zinc/79/83/77/445798377.db2.gz	AYVRUMSXBAJVIR-MSOLQXFVSA-N	2	0	344.459	1.517	20	30		EDEDRP
CCC[NH+]1CCN(C2CC[NH+]([C@H](C)C(=O)N(C)CCC#N)CC2)CC1	ZINC000369153681	445957154	/nfs/dbraw/zinc/95/71/54/445957154.db2.gz	DOTUTXXVOKQLTQ-QGZVFWFLSA-N	2	0	349.523	1.239	20	30		EDEDRP
CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cc(C)c(C#N)cn1	ZINC000457516216	447585499	/nfs/dbraw/zinc/58/54/99/447585499.db2.gz	CXGDMWXQMHZUAR-KRWDZBQOSA-N	2	0	343.475	1.750	20	30		EDEDRP
C#CCN1CCN(C(=O)C[NH2+][C@@H](C)c2ccc(OC)c(F)c2)CC1	ZINC000490915051	447908329	/nfs/dbraw/zinc/90/83/29/447908329.db2.gz	LHELRYCYXJVQQK-AWEZNQCLSA-N	2	0	333.407	1.262	20	30		EDEDRP
C#CCN1CCN(C(=O)CNC2(c3ccc(F)cc3F)CCC2)CC1	ZINC000490912838	447908798	/nfs/dbraw/zinc/90/87/98/447908798.db2.gz	BCJJQHXHCURGQI-UHFFFAOYSA-N	2	0	347.409	1.711	20	30		EDEDRP
N#CCc1ccc(OC[C@H](O)C[NH2+][C@@H]2CCN3CCCC[C@@H]23)cc1	ZINC000579111148	448717519	/nfs/dbraw/zinc/71/75/19/448717519.db2.gz	URULQHNJVCNTQO-QRQLOZEOSA-N	2	0	329.444	1.709	20	30		EDEDRP
N#CCCN1CC[NH+]([C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CC1	ZINC000602020111	449277871	/nfs/dbraw/zinc/27/78/71/449277871.db2.gz	IEXZINWZYGCURG-HKUYNNGSSA-N	2	0	326.444	1.774	20	30		EDEDRP
Cc1cc(NC(=O)[C@@H]([NH3+])CCCCC#N)n(C2CC[NH+](C)CC2)n1	ZINC000594437343	449516432	/nfs/dbraw/zinc/51/64/32/449516432.db2.gz	BBXLRYNOUHOOIM-HNNXBMFYSA-N	2	0	332.452	1.808	20	30		EDEDRP
C=CC[C@]1(C(=O)NC2CC[NH+](Cc3ccncc3)CC2)CCC[NH2+]1	ZINC000662676831	453396899	/nfs/dbraw/zinc/39/68/99/453396899.db2.gz	NUUDDVLSMNQXHB-LJQANCHMSA-N	2	0	328.460	1.861	20	30		EDEDRP
C=CC[C@@]1(C(=O)N2CCN(Cc3cccc(O)c3)CC2)CCC[NH2+]1	ZINC000662713691	453437876	/nfs/dbraw/zinc/43/78/76/453437876.db2.gz	XSOPPAGUSWIUMI-IBGZPJMESA-N	2	0	329.444	1.735	20	30		EDEDRP
C#CCOc1ccccc1C[N@H+]1CC[C@@H](N2CC[NH+](CC)CC2)C1	ZINC000093133148	527126077	/nfs/dbraw/zinc/12/60/77/527126077.db2.gz	YFKGFGDAXCMJBY-LJQANCHMSA-N	2	0	327.472	1.910	20	30		EDEDRP
C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2CC(=O)N(C)C)c1cc(C#N)ccn1	ZINC000902987553	592094315	/nfs/dbraw/zinc/09/43/15/592094315.db2.gz	ODLAAINBIGAANA-HZTRTUMWSA-N	2	0	341.459	1.687	20	30		EDEDRP
N#C[C@@H]1C[NH2+]CC12CC(c1nc([C@H]3CN4CCC[C@@H]4CO3)no1)C2	ZINC000904098933	592425098	/nfs/dbraw/zinc/42/50/98/592425098.db2.gz	IVZHSQUCNKVDJB-DEWJTKQSSA-N	2	0	329.404	1.212	20	30		EDEDRP
C[NH+](C)CC#CCNC(=O)Nc1ccccc1N1CC[NH+](C)CC1	ZINC000905151185	592440314	/nfs/dbraw/zinc/44/03/14/592440314.db2.gz	ITRRROJLBIHBRF-UHFFFAOYSA-N	2	0	329.448	1.125	20	30		EDEDRP
N#CCCC[C@H]([NH3+])C(=O)Nc1ccc(C(=O)OC2CC[NH2+]CC2)cc1	ZINC000818538566	593703862	/nfs/dbraw/zinc/70/38/62/593703862.db2.gz	OATWBWVWMFVCRO-INIZCTEOSA-N	2	0	344.415	1.555	20	30		EDEDRP
N#Cc1ccc([C@H](O)C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)cc1	ZINC000819174431	593742819	/nfs/dbraw/zinc/74/28/19/593742819.db2.gz	QBPNBIHOGCSNLM-HSALFYBXSA-N	2	0	343.471	1.949	20	30		EDEDRP
CCc1ccc([C@H](CNC(=O)C#CC2CC[NH2+]CC2)[NH+](C)C)cc1	ZINC000852855461	595577345	/nfs/dbraw/zinc/57/73/45/595577345.db2.gz	ZKKRFULQFDCNKX-IBGZPJMESA-N	2	0	327.472	1.971	20	30		EDEDRP
O=C(C#CC1CC[NH2+]CC1)NC1CC[NH+](Cc2ccncc2)CC1	ZINC000852859090	595580953	/nfs/dbraw/zinc/58/09/53/595580953.db2.gz	OOBUWKVMAUPTMF-UHFFFAOYSA-N	2	0	326.444	1.165	20	30		EDEDRP
C[NH+](C)CCOc1ccc(CCNC(=O)C#CC2CC[NH2+]CC2)cc1	ZINC000852865357	595585860	/nfs/dbraw/zinc/58/58/60/595585860.db2.gz	AEZVYPVPUOXOIV-UHFFFAOYSA-N	2	0	343.471	1.289	20	30		EDEDRP
C[NH+](C)CCN(Cc1ccccc1F)C(=O)C#CC1CC[NH2+]CC1	ZINC000852879929	595594936	/nfs/dbraw/zinc/59/49/36/595594936.db2.gz	IEKYDXANTZWKEB-UHFFFAOYSA-N	2	0	331.435	1.719	20	30		EDEDRP
COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)C#CC2CC[NH2+]CC2)cc1	ZINC000852906494	595609184	/nfs/dbraw/zinc/60/91/84/595609184.db2.gz	FTVIBBIEOPJNEF-OALUTQOASA-N	2	0	341.455	1.260	20	30		EDEDRP
C[NH+](C)C[C@@H]1CN(C(=S)Nc2ccccc2C#N)C[C@H]1C[NH+](C)C	ZINC000865245794	596522240	/nfs/dbraw/zinc/52/22/40/596522240.db2.gz	PWWDMFKRKIUPDX-HZPDHXFCSA-N	2	0	345.516	1.926	20	30		EDEDRP
C=C[C@](C)(CCOC)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1	ZINC000870019336	596710723	/nfs/dbraw/zinc/71/07/23/596710723.db2.gz	FJJAEZSQBVLKPK-JFIYKMOQSA-N	2	0	325.497	1.413	20	30		EDEDRP
CC[NH+](CC)[C@H]1CCN(C(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)C1	ZINC000876718769	597302944	/nfs/dbraw/zinc/30/29/44/597302944.db2.gz	TVKPTPSRQNYSHQ-FUHWJXTLSA-N	2	0	326.444	1.688	20	30		EDEDRP
C=C(Cl)C[C@H]([NH3+])C(=O)NCc1cccc(OCC[NH+](C)C)c1	ZINC000876719236	597303531	/nfs/dbraw/zinc/30/35/31/597303531.db2.gz	GLWQIEIRJLDSKF-HNNXBMFYSA-N	2	0	325.840	1.713	20	30		EDEDRP
C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCC(CC)([NH+]2CCOCC2)CC1	ZINC000877081698	597427762	/nfs/dbraw/zinc/42/77/62/597427762.db2.gz	QLNMGCWAEDHHLD-CQSZACIVSA-N	2	0	329.872	1.560	20	30		EDEDRP
CC[NH+](CC)[C@@H](CNC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N)CC(C)C	ZINC000884184250	598017917	/nfs/dbraw/zinc/01/79/17/598017917.db2.gz	KSVBPNUVIRJHMO-VZDIDWBNSA-N	2	0	334.508	1.998	20	30		EDEDRP
N#C[C@@H]1C[NH2+]CC12CC(C(=O)N1CC[C@@H](C[NH+]3CCCCC3)C1)C2	ZINC000884227641	598036339	/nfs/dbraw/zinc/03/63/39/598036339.db2.gz	UXHDZUQRALPBPX-SDDULXJBSA-N	2	0	330.476	1.460	20	30		EDEDRP
N#C[C@@H]1C[NH2+]CC12CC(C(=O)N1CCC[C@@H]([C@H]3CCC[NH2+]C3)C1)C2	ZINC000884294486	598057808	/nfs/dbraw/zinc/05/78/08/598057808.db2.gz	CFGIXZRVQGBUJE-HZQKMGKZSA-N	2	0	330.476	1.364	20	30		EDEDRP
C[NH+](C)C[C@@H]1CN(C(=O)Nc2cccc(CC#N)n2)C[C@H]1C[NH+](C)C	ZINC000881141891	598086368	/nfs/dbraw/zinc/08/63/68/598086368.db2.gz	AHPOHGXIQHPJNC-HUUCEWRRSA-N	2	0	344.463	1.351	20	30		EDEDRP
C=CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)c3ccn(CC[NH+](C)C)n3)C[C@H]21	ZINC000992701267	695223520	/nfs/dbraw/zinc/22/35/20/695223520.db2.gz	RUDQQIVQPUTJNR-BRWVUGGUSA-N	2	0	345.491	1.461	20	30		EDEDRP
C=CC[NH+]1CCC(NC(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@H]23)CC1	ZINC000917137712	696950345	/nfs/dbraw/zinc/95/03/45/696950345.db2.gz	VKJSJGWFRZVMBV-HZPDHXFCSA-N	2	0	338.521	1.516	20	30		EDEDRP
C=C(Cl)C[NH2+][C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1C	ZINC000939421640	699557749	/nfs/dbraw/zinc/55/77/49/699557749.db2.gz	IZPUVDZFIVAAHW-IUODEOHRSA-N	2	0	329.872	1.286	20	30		EDEDRP
C[C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1[NH2+]Cc1ccc(C#N)c(F)c1	ZINC000939757409	699924547	/nfs/dbraw/zinc/92/45/47/699924547.db2.gz	YFKMLYHDFJCBDM-KBXCAEBGSA-N	2	0	344.434	1.730	20	30		EDEDRP
C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)CC1(C)C	ZINC000996069687	702480629	/nfs/dbraw/zinc/48/06/29/702480629.db2.gz	KUCXKSZQRLDUKM-BWRBCVJASA-N	2	0	333.476	1.252	20	30		EDEDRP
C=C(Cl)C[NH2+][C@H]1CN(C(=O)COC2CC[NH+](C)CC2)CC1(C)C	ZINC000996471437	702824474	/nfs/dbraw/zinc/82/44/74/702824474.db2.gz	LXKHNIWWQLBMNV-HNNXBMFYSA-N	2	0	343.899	1.676	20	30		EDEDRP
C[N@@H+]1CC[C@@H](CC(=O)N2CCC([NH2+]Cc3cccc(C#N)c3)CC2)C1	ZINC000997187958	703477640	/nfs/dbraw/zinc/47/76/40/703477640.db2.gz	XZYMKJOCUGLHOF-SFHVURJKSA-N	2	0	340.471	1.981	20	30		EDEDRP
C=C(Br)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)CC1(C)C	ZINC000995552124	703958989	/nfs/dbraw/zinc/95/89/89/703958989.db2.gz	PXMHULQKVKCGRF-CHWSQXEVSA-N	2	0	344.297	1.816	20	30		EDEDRP
C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+]4CCC[C@H]4CO3)CC[C@@H]2C1	ZINC000946597723	704293179	/nfs/dbraw/zinc/29/31/79/704293179.db2.gz	HSYNSECKIMGERI-RDGPPVDQSA-N	2	0	347.503	1.596	20	30		EDEDRP
C=C(C)C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)C1	ZINC000999353880	706842823	/nfs/dbraw/zinc/84/28/23/706842823.db2.gz	OAQSADWQOFKMTN-SJLPKXTDSA-N	2	0	335.492	1.787	20	30		EDEDRP
C#CCC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)CC[C@@H]2C1	ZINC000946734807	707296579	/nfs/dbraw/zinc/29/65/79/707296579.db2.gz	DFMLPSNOZYIAGN-CADBVGFASA-N	2	0	331.504	1.910	20	30		EDEDRP
CN(C(=O)C[NH+]1CCCC1)C1CC([NH2+]Cc2ccc(F)c(C#N)c2)C1	ZINC000999832330	707462925	/nfs/dbraw/zinc/46/29/25/707462925.db2.gz	FQFXLCACEOXYAS-UHFFFAOYSA-N	2	0	344.434	1.872	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)N(C)[C@@H]2CC[N@@H+](C[C@H](CC)OC)C2)CC1	ZINC001033686060	708500417	/nfs/dbraw/zinc/50/04/17/708500417.db2.gz	ZGNVQTGMYDFIHT-MSOLQXFVSA-N	2	0	335.492	1.289	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)NCC2CC[NH+](C[C@@H](F)CC)CC2)CC1	ZINC001002145983	708660017	/nfs/dbraw/zinc/66/00/17/708660017.db2.gz	VJANUKDDHYJALJ-SFHVURJKSA-N	2	0	337.483	1.908	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)N(CC)[C@H]2CC[N@@H+](C[C@@H](CC)OC)C2)CC1	ZINC001034044903	709296712	/nfs/dbraw/zinc/29/67/12/709296712.db2.gz	FVYHBTFVJKEYCO-RBUKOAKNSA-N	2	0	349.519	1.679	20	30		EDEDRP
C#CC[NH+]1CCCC[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1	ZINC001034416420	709978414	/nfs/dbraw/zinc/97/84/14/709978414.db2.gz	ZWLJNJQKMPIJBZ-AQNXPRMDSA-N	2	0	339.483	1.936	20	30		EDEDRP
C[NH+]1CCC(C(=O)NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC1	ZINC001003544717	710412669	/nfs/dbraw/zinc/41/26/69/710412669.db2.gz	UNJCYJBYXMVJDZ-UHFFFAOYSA-N	2	0	340.471	1.981	20	30		EDEDRP
C=C(C)C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)CC1	ZINC001034693819	710786313	/nfs/dbraw/zinc/78/63/13/710786313.db2.gz	HUKIXRPIMCTVIO-RVKOJVRFSA-N	2	0	333.476	1.443	20	30		EDEDRP
C=CCC[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2C2CCOCC2)C1	ZINC001033144056	711972795	/nfs/dbraw/zinc/97/27/95/711972795.db2.gz	QIWLTSGDKVITQE-QZTJIDSGSA-N	2	0	335.492	1.739	20	30		EDEDRP
[NH2+]=C(NC[C@@H]1C[NH+]2CCN1CC2)Nc1ccccc1OC(F)(F)F	ZINC000262858040	249324787	/nfs/dbraw/zinc/32/47/87/249324787.db2.gz	YLZIULZYIXTSLA-LLVKDONJSA-N	2	0	343.353	1.312	20	30		EDEDRP
C[C@@H](C(=O)N(C)CCC#N)[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1	ZINC000368826372	250201304	/nfs/dbraw/zinc/20/13/04/250201304.db2.gz	QMHCSQNCDKQWKY-KRWDZBQOSA-N	2	0	349.523	1.096	20	30		EDEDRP
COC[C@H](C)NC(=[NH2+])NCc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1	ZINC000104162860	285340003	/nfs/dbraw/zinc/34/00/03/285340003.db2.gz	NSMJOJMNZGGUAF-ARFHVFGLSA-N	2	0	348.491	1.735	20	30		EDEDRP
COC[C@H](CCC[NH3+])[NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O	ZINC000423045911	269751071	/nfs/dbraw/zinc/75/10/71/269751071.db2.gz	SWEYTKIMLIUJGC-DOTOQJQBSA-N	2	0	330.432	1.397	20	30		EDEDRP
[NH2+]=C(NCCC[NH+]1CCC(O)CC1)N[C@H]1CCOc2ccccc21	ZINC000083031567	441348329	/nfs/dbraw/zinc/34/83/29/441348329.db2.gz	HLUCOBAESMIYSL-INIZCTEOSA-N	2	0	332.448	1.261	20	30		EDEDRP
[NH2+]=C(NCCc1ccc(OCC[NH+]2CCCC2)cc1)N1CCOCC1	ZINC000091537611	441711819	/nfs/dbraw/zinc/71/18/19/441711819.db2.gz	OXKZGYXKKHHRCS-UHFFFAOYSA-N	2	0	346.475	1.351	20	30		EDEDRP
CSc1cc(C)ccc1CNC(=[NH2+])NCCCN1CCOCC1	ZINC000134069804	442448882	/nfs/dbraw/zinc/44/88/82/442448882.db2.gz	ISNUXQSOKYVGPI-UHFFFAOYSA-N	2	0	336.505	1.844	20	30		EDEDRP
COc1ccc(NC(=[NH2+])NCc2ccnc(OCC[NH+](C)C)c2)cc1	ZINC000134550756	442494091	/nfs/dbraw/zinc/49/40/91/442494091.db2.gz	VLRSKEKMACBYRK-UHFFFAOYSA-N	2	0	343.431	1.957	20	30		EDEDRP
C=CCNC(=O)C[NH2+][C@H](C)c1cc(F)ccc1N1CC[NH+](CC)CC1	ZINC000181633584	442707732	/nfs/dbraw/zinc/70/77/32/442707732.db2.gz	KCJYCEVRLCUJIY-OAHLLOKOSA-N	2	0	348.466	1.920	20	30		EDEDRP
CO[C@H](C)c1noc(CON=C(N)c2ccc(C[NH+](C)C)cc2)n1	ZINC000267009232	443312945	/nfs/dbraw/zinc/31/29/45/443312945.db2.gz	LRFJIYIZXOBQMU-LLVKDONJSA-N	2	0	333.392	1.676	20	30		EDEDRP
CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(N2CCOC2=O)cc1	ZINC000272855690	443468768	/nfs/dbraw/zinc/46/87/68/443468768.db2.gz	RCPFOFYRLDJSLH-MRXNPFEDSA-N	2	0	345.447	1.532	20	30		EDEDRP
CC[C@@](C)(C#N)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1	ZINC000285897288	444145786	/nfs/dbraw/zinc/14/57/86/444145786.db2.gz	GPXGQHJTHWPYMA-SFHVURJKSA-N	2	0	329.448	1.650	20	30		EDEDRP
CN1CCC([NH+]2CCC(Nc3nccc(C#N)c3[N+](=O)[O-])CC2)CC1	ZINC000301625655	444182860	/nfs/dbraw/zinc/18/28/60/444182860.db2.gz	HEFRYMSRFLUYNR-UHFFFAOYSA-N	2	0	344.419	1.832	20	30		EDEDRP
C#CC[N@@H+](C)CCCNC(=O)N[C@@H](C)[C@H](c1ccccc1)[NH+](C)C	ZINC000297531496	444297264	/nfs/dbraw/zinc/29/72/64/444297264.db2.gz	AMTWFRBDGYRSHG-FUHWJXTLSA-N	2	0	330.476	1.932	20	30		EDEDRP
C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)N1CC[C@@H]([NH+](C)C)C1	ZINC000331037074	444369139	/nfs/dbraw/zinc/36/91/39/444369139.db2.gz	AFGADQBSTSJIRY-CQSZACIVSA-N	2	0	333.436	1.813	20	30		EDEDRP
C=C(C)[C@H](CC(=O)N(C)CC[N@H+](C)C1CCN(C)CC1)OCC	ZINC000339359005	445133537	/nfs/dbraw/zinc/13/35/37/445133537.db2.gz	BNJWCGVCRRLVEW-KRWDZBQOSA-N	2	0	325.497	1.842	20	30		EDEDRP
CCn1ccnc1CN1CCC[N@H+](CCC(=O)N(C)CCC#N)CC1	ZINC000363107862	445680492	/nfs/dbraw/zinc/68/04/92/445680492.db2.gz	NRJRXJBVQAZZRE-UHFFFAOYSA-N	2	0	346.479	1.173	20	30		EDEDRP
N#Cc1cccc(CNC(=O)CN2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@@H]3C2)c1	ZINC000363180992	445709599	/nfs/dbraw/zinc/70/95/99/445709599.db2.gz	PFCJEQRWSQAXJS-QRVBRYPASA-N	2	0	338.455	1.591	20	30		EDEDRP
CC[N@@H+]1CC[C@@H](N(C)CC(=O)NCc2ccc(C#N)cc2)C[C@@H]1C	ZINC000354203838	445997245	/nfs/dbraw/zinc/99/72/45/445997245.db2.gz	CKTMRWDYHPBJTI-MAUKXSAKSA-N	2	0	328.460	1.979	20	30		EDEDRP
C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2Cc1cnc2c(C#N)cnn2c1	ZINC000584113918	326202644	/nfs/dbraw/zinc/20/26/44/326202644.db2.gz	PPZCEELVPVCSDF-IKGGRYGDSA-N	2	0	340.431	1.284	20	30		EDEDRP
O[C@@H]1CC[NH+](CC#CC[N@H+]2CC[C@@H](O)CC23CCC3)C2(CCC2)C1	ZINC000420993763	446971767	/nfs/dbraw/zinc/97/17/67/446971767.db2.gz	MKQSIZVMVDRNPX-QZTJIDSGSA-N	2	0	332.488	1.749	20	30		EDEDRP
CC[NH+]1C[C@@H](C)N(CC#CCN2[C@H](C)C[N@H+](CC)C[C@@H]2C)[C@@H](C)C1	ZINC000459469676	447676732	/nfs/dbraw/zinc/67/67/32/447676732.db2.gz	USYPCZJRXCQOED-FGYAAKKASA-N	2	0	334.552	1.819	20	30		EDEDRP
C#CC[N@@H+](C)CCCNC(=O)N1CCC(OCCC[NH+](C)C)CC1	ZINC000491743901	448098143	/nfs/dbraw/zinc/09/81/43/448098143.db2.gz	LIOOFMOGBHEKDR-UHFFFAOYSA-N	2	0	338.496	1.084	20	30		EDEDRP
CN(CCC#N)C[C@@H](O)C[NH2+]CC1CC[NH+](Cc2ccccc2)CC1	ZINC000591241453	448296448	/nfs/dbraw/zinc/29/64/48/448296448.db2.gz	UNPCULCLAARWJX-FQEVSTJZSA-N	2	0	344.503	1.695	20	30		EDEDRP
N#Cc1cccc(C[NH+]2CCC(NC(=O)[C@@H]3C[C@]34CC[NH2+]C4)CC2)c1	ZINC000593919327	449287268	/nfs/dbraw/zinc/28/72/68/449287268.db2.gz	TYDGCXDLMGBPBF-ICSRJNTNSA-N	2	0	338.455	1.638	20	30		EDEDRP
CC(C)[NH+]1CCC(N2CC[NH+](C[C@H](O)CC(C)(C)C#N)CC2)CC1	ZINC000598597511	449483822	/nfs/dbraw/zinc/48/38/22/449483822.db2.gz	GDMCATRAGHJWNI-GOSISDBHSA-N	2	0	336.524	1.778	20	30		EDEDRP
C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)[C@@H]([NH3+])CCCCC#N)CC1	ZINC000594437026	449516700	/nfs/dbraw/zinc/51/67/00/449516700.db2.gz	SHXVGJYNNMGKBP-SJORKVTESA-N	2	0	335.496	1.026	20	30		EDEDRP
N#CCCCC[C@@H]([NH3+])C(=O)NCCC[N@@H+]1CCc2ccccc2C1	ZINC000594441573	449519895	/nfs/dbraw/zinc/51/98/95/449519895.db2.gz	SUYFVQPXPGKRGF-GOSISDBHSA-N	2	0	328.460	1.962	20	30		EDEDRP
C[C@H]1C[N@H+](CCC[NH2+]C[C@@H](O)COc2ccccc2C#N)CCCO1	ZINC000600735420	449524596	/nfs/dbraw/zinc/52/45/96/449524596.db2.gz	SYQHSMNNONNGQV-FUHWJXTLSA-N	2	0	347.459	1.388	20	30		EDEDRP
C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)[C@@H]([NH3+])CCCC#N	ZINC000602579738	449685856	/nfs/dbraw/zinc/68/58/56/449685856.db2.gz	BJUQIQFPVGSHJC-NJAFHUGGSA-N	2	0	328.460	1.892	20	30		EDEDRP
C=CC[NH+]1CCC(NC(=O)[C@H](N)C[N@@H+](C)Cc2ccccc2)CC1	ZINC000638099446	451265901	/nfs/dbraw/zinc/26/59/01/451265901.db2.gz	INJWUJLBVYUOTC-GOSISDBHSA-N	2	0	330.476	1.212	20	30		EDEDRP
C=CC[C@@]1(C(=O)NC2CC[NH+](Cc3ccncc3)CC2)CCC[NH2+]1	ZINC000662676830	453395982	/nfs/dbraw/zinc/39/59/82/453395982.db2.gz	NUUDDVLSMNQXHB-IBGZPJMESA-N	2	0	328.460	1.861	20	30		EDEDRP
C#CCC[NH+]1CCC(NC(=O)c2ccccc2OCC[NH+](C)C)CC1	ZINC000740739102	579383616	/nfs/dbraw/zinc/38/36/16/579383616.db2.gz	VMARXMYBJXVQAH-UHFFFAOYSA-N	2	0	343.471	1.845	20	30		EDEDRP
C=CC[C@@H](NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1ccncc1	ZINC000741088720	579397077	/nfs/dbraw/zinc/39/70/77/579397077.db2.gz	AXQBYZPFMONOPY-QGZVFWFLSA-N	2	0	333.480	1.834	20	30		EDEDRP
C=C(C[NH+](C)C)C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO	ZINC000764629843	580125042	/nfs/dbraw/zinc/12/50/42/580125042.db2.gz	DOYQPLWEPYOSJT-ZWKOTPCHSA-N	2	0	331.460	1.103	20	30		EDEDRP
C#C[C@@H](NC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)[C@H]1CCCO1	ZINC000776225642	580411878	/nfs/dbraw/zinc/41/18/78/580411878.db2.gz	DPTSPKVQCFFAKE-IAGOWNOFSA-N	2	0	338.496	1.082	20	30		EDEDRP
C=C(CC[NH+](C)C)C(=O)NC[C@H](C(CC)CC)[NH+]1CCOCC1	ZINC000900168584	591925131	/nfs/dbraw/zinc/92/51/31/591925131.db2.gz	HEHDDCVBJAISAE-QGZVFWFLSA-N	2	0	325.497	1.748	20	30		EDEDRP
C#CC[N@H+](C)CCCNC(=O)NC[C@H]1CCC[NH+]1Cc1ccccc1	ZINC000836304097	594949308	/nfs/dbraw/zinc/94/93/08/594949308.db2.gz	LNDUOVGTSNVFSL-LJQANCHMSA-N	2	0	342.487	1.905	20	30		EDEDRP
CN1CC[NH+]=C1NCCCC[NH+]1CCN(Cc2ccccc2)CC1	ZINC000849049095	595475378	/nfs/dbraw/zinc/47/53/78/595475378.db2.gz	DJRGMNVRGGEJFW-UHFFFAOYSA-N	2	0	329.492	1.475	20	30		EDEDRP
CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C#CC1CC[NH2+]CC1	ZINC000852868897	595588506	/nfs/dbraw/zinc/58/85/06/595588506.db2.gz	XLJGUWQDWIJKNO-HXUWFJFHSA-N	2	0	339.483	1.970	20	30		EDEDRP
C=CCNC(=O)NC(=O)[C@@H](C)[N@H+](C)Cc1ccc(C[NH+](C)C)cc1	ZINC000859214697	596006800	/nfs/dbraw/zinc/00/68/00/596006800.db2.gz	REUACFGMMOZGNO-CQSZACIVSA-N	2	0	332.448	1.580	20	30		EDEDRP
N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)NC[C@H]1CC[C@H](C[NH3+])CC1	ZINC000876851270	597358969	/nfs/dbraw/zinc/35/89/69/597358969.db2.gz	HCPWXTMCIDMFLW-HBUWYVDXSA-N	2	0	326.444	1.626	20	30		EDEDRP
CC1(C)CC[C@H](CNC(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)[NH2+]C1	ZINC000877152069	597444117	/nfs/dbraw/zinc/44/41/17/597444117.db2.gz	YUIGNZULFNROFA-WBVHZDCISA-N	2	0	326.444	1.639	20	30		EDEDRP
C#CC[NH+]1CCC(NC(=O)NC[C@H](C2CCCCC2)[NH+](C)C)CC1	ZINC000914071771	695061725	/nfs/dbraw/zinc/06/17/25/695061725.db2.gz	AMTPUIAZNRATKI-GOSISDBHSA-N	2	0	334.508	1.894	20	30		EDEDRP
C#CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C3CC[NH+](CC#C)CC3)C[C@H]21	ZINC000992927302	695458101	/nfs/dbraw/zinc/45/81/01/695458101.db2.gz	SQGAIDQADNSYNL-IPMKNSEASA-N	2	0	327.472	1.182	20	30		EDEDRP
C[N@@H+]1CCCC[C@@H]1C(=O)NCC1C[NH+](Cc2ccc(C#N)cc2)C1	ZINC001031776804	699169564	/nfs/dbraw/zinc/16/95/64/699169564.db2.gz	OLXFKOBVPYQMSM-GOSISDBHSA-N	2	0	326.444	1.591	20	30		EDEDRP
CC#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C(C)(C)C1	ZINC000940901835	700976498	/nfs/dbraw/zinc/97/64/98/700976498.db2.gz	QXZIHSNPFLCLRM-ASPXRTSYSA-N	2	0	345.487	1.090	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)NCC2C[NH+](CCC[C@H]3CCOC3)C2)CC1	ZINC001032205544	702019474	/nfs/dbraw/zinc/01/94/74/702019474.db2.gz	AMBLRPXLEOBPJA-KRWDZBQOSA-N	2	0	347.503	1.196	20	30		EDEDRP
C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)CC[C@H]1NC(=O)C[NH+]1CCCC1	ZINC000944942783	704795115	/nfs/dbraw/zinc/79/51/15/704795115.db2.gz	DAQAUNVYBKKZMN-VQIMIIECSA-N	2	0	340.471	1.981	20	30		EDEDRP
C=CC[N@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)CC1	ZINC000998067924	705281250	/nfs/dbraw/zinc/28/12/50/705281250.db2.gz	WWFAZWWUZRVEGF-NNVNDSJASA-N	2	0	347.503	1.739	20	30		EDEDRP
C=C(Cl)C[NH2+][C@H]1CCCN(C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1	ZINC000999764462	707318655	/nfs/dbraw/zinc/31/86/55/707318655.db2.gz	KMNLTMDLNHEYHO-GWUWNPHMSA-N	2	0	339.867	1.183	20	30		EDEDRP
C=CCC[NH+]1CCC(CNC(=O)c2cnn(CC[NH+](C)C)c2)CC1	ZINC001001925980	708433174	/nfs/dbraw/zinc/43/31/74/708433174.db2.gz	SCTRTQUHUNKMSO-UHFFFAOYSA-N	2	0	333.480	1.463	20	30		EDEDRP
C=CCC[N@H+]1CC[C@H](N(CC)C(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1	ZINC001033905905	709033800	/nfs/dbraw/zinc/03/38/00/709033800.db2.gz	MTYKWCGZGURTCF-DHADLLTHSA-N	2	0	333.476	1.349	20	30		EDEDRP
CC#CC[NH+]1CCC(NC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)CC1	ZINC001003010369	709780804	/nfs/dbraw/zinc/78/08/04/709780804.db2.gz	FVPUXVHNIBXENN-SFHVURJKSA-N	2	0	333.476	1.234	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCC[N@@H+](C[C@@H](CC)OC)C2)CC1	ZINC001034538556	710211551	/nfs/dbraw/zinc/21/15/51/710211551.db2.gz	PIVUHGHCEJRDKW-RTBURBONSA-N	2	0	349.519	1.727	20	30		EDEDRP
CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ncc(C#N)cc1C	ZINC000559397681	306254780	/nfs/dbraw/zinc/25/47/80/306254780.db2.gz	VHQNLKDGKBRSEB-KRWDZBQOSA-N	2	0	343.475	1.750	20	30		EDEDRP
N#CCCC[C@H]([NH3+])C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1	ZINC000424144196	252141708	/nfs/dbraw/zinc/14/17/08/252141708.db2.gz	KSNSNDGWDARPHK-INIZCTEOSA-N	2	0	336.480	1.406	20	30		EDEDRP
CC[C@@H](CNC(=O)[C@@H]([NH3+])CCCC#N)[N@@H+]1CCc2ccccc2C1	ZINC000424132923	252135419	/nfs/dbraw/zinc/13/54/19/252135419.db2.gz	LHERRYCZBKMTEZ-ROUUACIJSA-N	2	0	328.460	1.961	20	30		EDEDRP
N#Cc1ccc2c(c1)[C@H]([NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F)CC2	ZINC000423380951	270012288	/nfs/dbraw/zinc/01/22/88/270012288.db2.gz	FCARJHOSTMQURA-HZPDHXFCSA-N	2	0	338.377	1.971	20	30		EDEDRP
COCC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])N[C@@H]1CCOc2ccccc21	ZINC000083052260	441348367	/nfs/dbraw/zinc/34/83/67/441348367.db2.gz	PGAFNMDRKKELQJ-GDBMZVCRSA-N	2	0	332.448	1.525	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)Nc2ccnn2C2CC[NH+](CC)CC2)CC1	ZINC000066662678	441558823	/nfs/dbraw/zinc/55/88/23/441558823.db2.gz	LGBVKJGHWKBMAZ-UHFFFAOYSA-N	2	0	343.475	1.824	20	30		EDEDRP
CC[NH+](CC)CCCNC(=[NH2+])NCCc1ccc(OC)c(OC)c1	ZINC000264143655	443252561	/nfs/dbraw/zinc/25/25/61/443252561.db2.gz	XGVMAALHLZUJEP-UHFFFAOYSA-N	2	0	336.480	1.883	20	30		EDEDRP
COc1ccc(NC(=[NH2+])NCCC[NH+]2CCC(O)CC2)cc1OC	ZINC000264136829	443252701	/nfs/dbraw/zinc/25/27/01/443252701.db2.gz	ZZHVSTWCYKAEFC-UHFFFAOYSA-N	2	0	336.436	1.277	20	30		EDEDRP
C=CCN(CC=C)C(=O)[C@H](C)[N@@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1	ZINC000264272343	443257304	/nfs/dbraw/zinc/25/73/04/443257304.db2.gz	ACALAKFQWZNRDC-SJORKVTESA-N	2	0	337.508	1.600	20	30		EDEDRP
CC[C@H](C)[N@H+](C)CCNC(=[NH2+])NCCc1ccc(OC)c(OC)c1	ZINC000264291193	443257878	/nfs/dbraw/zinc/25/78/78/443257878.db2.gz	PXGDDEZVQBVQMZ-AWEZNQCLSA-N	2	0	336.480	1.881	20	30		EDEDRP
C[NH+](C)[C@H]1CCN(c2ccc(C#N)c(N3CC[C@H]([NH+](C)C)C3)n2)C1	ZINC000278479144	443343941	/nfs/dbraw/zinc/34/39/41/443343941.db2.gz	VDVKZTAIAVHLRD-HOTGVXAUSA-N	2	0	328.464	1.234	20	30		EDEDRP
CN1CC[N@H+](C)C[C@H]1CNC(=[NH2+])NCc1cccc(C(F)(F)F)c1	ZINC000267408537	443447381	/nfs/dbraw/zinc/44/73/81/443447381.db2.gz	HRIBCYAAOMVZMF-CQSZACIVSA-N	2	0	343.397	1.356	20	30		EDEDRP
C=CCOCC[NH+]1CCN(c2ccccc2OCC[NH+](C)C)CC1	ZINC000293728587	444085471	/nfs/dbraw/zinc/08/54/71/444085471.db2.gz	GJDNVAAQZKUWEG-UHFFFAOYSA-N	2	0	333.476	1.952	20	30		EDEDRP
CC[NH+]1CCC(C[NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)CC1	ZINC000566108168	321215643	/nfs/dbraw/zinc/21/56/43/321215643.db2.gz	DFARTKFDWJGODG-UHFFFAOYSA-N	2	0	336.461	1.048	20	30		EDEDRP
C[N@H+](C[C@@H](O)CN1CCC[NH+](Cc2ccc(C#N)cc2)CC1)C1CC1	ZINC000290033032	444233443	/nfs/dbraw/zinc/23/34/43/444233443.db2.gz	QJKYXLQCUGJAEH-HXUWFJFHSA-N	2	0	342.487	1.521	20	30		EDEDRP
CN1CC[C@H]([NH+]2CCC(NC(=O)C3CC[NH+](C4CC4)CC3)CC2)C1=O	ZINC000329172098	444491245	/nfs/dbraw/zinc/49/12/45/444491245.db2.gz	KWEVPABIAQIZOS-KRWDZBQOSA-N	2	0	348.491	1.512	20	30		EDEDRP
C[C@H](O)C[N@@H+]1CCN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[NH+]3C)[C@@H](C)C1	ZINC000329471269	444593186	/nfs/dbraw/zinc/59/31/86/444593186.db2.gz	ZJMXTKMJFFNWLS-ZSNVMCELSA-N	2	0	338.496	1.303	20	30		EDEDRP
C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1cnc2ccc(C#N)cn12	ZINC000342773929	444860755	/nfs/dbraw/zinc/86/07/55/444860755.db2.gz	GLBWUTOQNDERJE-HNNXBMFYSA-N	2	0	326.448	1.322	20	30		EDEDRP
C=CC[NH+]1CCC(NC(=O)N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)CC1	ZINC000361019606	445745357	/nfs/dbraw/zinc/74/53/57/445745357.db2.gz	VGNNRGDSWOTRJE-KRWDZBQOSA-N	2	0	349.523	1.105	20	30		EDEDRP
C[C@@H]([NH2+][C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)c1ccc(C#N)cc1F	ZINC000423455716	446544291	/nfs/dbraw/zinc/54/42/91/446544291.db2.gz	NBDZFGKOITZBLB-LLSQANQASA-N	2	0	344.434	1.995	20	30		EDEDRP
Cc1ccnc(NC[C@H]2CC[N@@H+](CCC(=O)N(C)CCC#N)C2)c1	ZINC000367485298	446554223	/nfs/dbraw/zinc/55/42/23/446554223.db2.gz	KUNXEJSDESWLJD-MRXNPFEDSA-N	2	0	329.448	1.886	20	30		EDEDRP
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CC[C@H](C[NH3+])C1	ZINC000418785114	446701213	/nfs/dbraw/zinc/70/12/13/446701213.db2.gz	HNHLCDBZISYRML-ZWKOTPCHSA-N	2	0	343.475	1.759	20	30		EDEDRP
C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)[NH2+][C@@H]1CC[C@@H](C#N)C1	ZINC000442823495	446981735	/nfs/dbraw/zinc/98/17/35/446981735.db2.gz	DGEYUAXZXZYDFX-KURKYZTESA-N	2	0	328.460	1.557	20	30		EDEDRP
C=CCN(CC=C)C(=O)CN1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1	ZINC000375817849	447077415	/nfs/dbraw/zinc/07/74/15/447077415.db2.gz	VHEMLWWSGUZGTH-QZTJIDSGSA-N	2	0	334.508	1.145	20	30		EDEDRP
C#CCNC(=O)CC[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1	ZINC000491209910	447958635	/nfs/dbraw/zinc/95/86/35/447958635.db2.gz	NNOLXAMRMYJXGM-FQEVSTJZSA-N	2	0	325.456	1.724	20	30		EDEDRP
C=CC[NH+]1CCC(NC(=O)Nc2ccc3c(c2)C[NH2+]CCO3)CC1	ZINC000516855672	448481986	/nfs/dbraw/zinc/48/19/86/448481986.db2.gz	KADSAALACIUERA-UHFFFAOYSA-N	2	0	330.432	1.941	20	30		EDEDRP
C=C[C@@H]1OCC[C@H]1[NH2+][C@H](C)C(=O)N1CCN(c2ccccn2)CC1	ZINC000519625924	448803077	/nfs/dbraw/zinc/80/30/77/448803077.db2.gz	OVIMOGIQEIDADU-OAGGEKHMSA-N	2	0	330.432	1.052	20	30		EDEDRP
C[C@@H]([NH3+])[C@@H](C)NC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000593715629	449158071	/nfs/dbraw/zinc/15/80/71/449158071.db2.gz	MSCOCCKBZDEKLO-ZIAGYGMSSA-N	2	0	329.448	1.558	20	30		EDEDRP
C[N@@H+]1CCC[C@@H]1C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000593882328	449260483	/nfs/dbraw/zinc/26/04/83/449260483.db2.gz	HUWDZHSWCZNVNP-GOSISDBHSA-N	2	0	326.444	1.733	20	30		EDEDRP
C[C@H]1[NH2+]CC[C@H]1C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000593918222	449286583	/nfs/dbraw/zinc/28/65/83/449286583.db2.gz	ATJPKPMKOUDNJT-RDTXWAMCSA-N	2	0	326.444	1.637	20	30		EDEDRP
Cc1nccn1-c1ccc(C[NH2+]C[C@@H]2CNc3c(C#N)cnn3C2)cn1	ZINC000731151119	578668607	/nfs/dbraw/zinc/66/86/07/578668607.db2.gz	KSQXRPOPSUZKLX-OAHLLOKOSA-N	2	0	348.414	1.475	20	30		EDEDRP
CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]C[C@@H](O)c1ccc(C#N)cc1)C2	ZINC000905500306	592545659	/nfs/dbraw/zinc/54/56/59/592545659.db2.gz	ABHYFRVTOIQUAE-UEDWAMCQSA-N	2	0	343.471	1.661	20	30		EDEDRP
CC[N@@H+]1C[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	592546346	/nfs/dbraw/zinc/54/63/46/592546346.db2.gz	KBQBBEWLDRRZPI-VDCDIQELSA-N	2	0	337.508	1.747	20	30		EDEDRP
C=C(CC[NH+](C)C)C(=O)NCC1(O)CC[NH+](Cc2ccccc2)CC1	ZINC000910462772	592867258	/nfs/dbraw/zinc/86/72/58/592867258.db2.gz	BLYCOXCDXINKQG-UHFFFAOYSA-N	2	0	345.487	1.638	20	30		EDEDRP
N#CCCC[C@@H]([NH3+])C(=O)Nc1cccc(C(=O)OC[C@@H]2CCC[NH2+]2)c1	ZINC000818539851	593704075	/nfs/dbraw/zinc/70/40/75/593704075.db2.gz	VXARCWCIHYENIU-JKSUJKDBSA-N	2	0	344.415	1.555	20	30		EDEDRP
O=C(C#CC1CC[NH2+]CC1)NC[C@H](c1ccccc1)[NH+]1CCCC1	ZINC000852854403	595577271	/nfs/dbraw/zinc/57/72/71/595577271.db2.gz	HJNOXAHVEUXFND-LJQANCHMSA-N	2	0	325.456	1.943	20	30		EDEDRP
O=C(C#CC1CC[NH2+]CC1)NC1CC[NH+](Cc2ccc(F)cc2)CC1	ZINC000852857735	595579087	/nfs/dbraw/zinc/57/90/87/595579087.db2.gz	DIBQHUFIWTVJEL-UHFFFAOYSA-N	2	0	343.446	1.909	20	30		EDEDRP
CC(C)[C@H](C[NH2+]Cc1cc(C#N)ccc1N(C)C)N1CC[NH+](C)CC1	ZINC000865410799	596566577	/nfs/dbraw/zinc/56/65/77/596566577.db2.gz	IUMBKFRDMWFEFA-FQEVSTJZSA-N	2	0	343.519	1.986	20	30		EDEDRP
C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)C1	ZINC000867973568	596640267	/nfs/dbraw/zinc/64/02/67/596640267.db2.gz	CZMMRWKLWMXVAL-BHIYHBOVSA-N	2	0	338.455	1.688	20	30		EDEDRP
C[NH+](C)C[C@@H]1CN(C(=O)/C=C\c2ccccc2C#N)C[C@H]1C[NH+](C)C	ZINC000870024003	596714026	/nfs/dbraw/zinc/71/40/26/596714026.db2.gz	GFEQVSUUJQWBTJ-PSUNPMBVSA-N	2	0	340.471	1.769	20	30		EDEDRP
C[NH+](C)C[C@@H]1CN(c2nccc(C#N)c2[N+](=O)[O-])C[C@H]1C[NH+](C)C	ZINC000866012138	596757458	/nfs/dbraw/zinc/75/74/58/596757458.db2.gz	RIRYRODWKSWOLU-ZIAGYGMSSA-N	2	0	332.408	1.037	20	30		EDEDRP
N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)NCC1CC[NH+](C2CC2)CC1	ZINC000876910028	597381348	/nfs/dbraw/zinc/38/13/48/597381348.db2.gz	PZEYDJVVSVKZIU-IBGZPJMESA-N	2	0	338.455	1.736	20	30		EDEDRP
C=CCCc1ccc(S(=O)(=O)N(CCC[NH3+])CCC[NH3+])cc1	ZINC000883468078	597760553	/nfs/dbraw/zinc/76/05/53/597760553.db2.gz	IAZHNAGXDSBWMW-UHFFFAOYSA-N	2	0	325.478	1.494	20	30		EDEDRP
N#C[C@H]1C[NH2+]CC12CC(C(=O)N1CCC([NH+]3CCCCC3)CC1)C2	ZINC000884185049	598017924	/nfs/dbraw/zinc/01/79/24/598017924.db2.gz	IWMVQJFZCMCMLI-WUJZJPHMSA-N	2	0	330.476	1.603	20	30		EDEDRP
CC(C)[C@H](CNC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N)[NH+]1CCC(C)CC1	ZINC000884188710	598019677	/nfs/dbraw/zinc/01/96/77/598019677.db2.gz	NWPYGKHNAVERDT-NNVNDSJASA-N	2	0	346.519	1.998	20	30		EDEDRP
COc1ccc(C[NH+](C)C)cc1NC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N	ZINC000884193848	598022628	/nfs/dbraw/zinc/02/26/28/598022628.db2.gz	QZBCVMKNUVTXBO-HVEKOLDVSA-N	2	0	342.443	1.835	20	30		EDEDRP
N#C[C@@H]1C[NH2+]CC12CC(C(=O)NCCCCC[NH+]1CCCCC1)C2	ZINC000884218902	598032683	/nfs/dbraw/zinc/03/26/83/598032683.db2.gz	BTWUGCYXFRQROO-TVRKMHQQSA-N	2	0	332.492	1.898	20	30		EDEDRP
C[C@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1[NH2+]Cc1ccc(C#N)cc1	ZINC000939063316	699117953	/nfs/dbraw/zinc/11/79/53/699117953.db2.gz	CXJJTBDJIWUPRJ-KXBFYZLASA-N	2	0	340.471	1.837	20	30		EDEDRP
C[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1[NH2+]Cc1cccc(C#N)c1	ZINC000939542989	699683820	/nfs/dbraw/zinc/68/38/20/699683820.db2.gz	AYWJUCZWMNHXQO-YJBOKZPZSA-N	2	0	338.455	1.591	20	30		EDEDRP
C#CC[N@@H+]1CC[C@@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C(C)(C)C1	ZINC000940882774	700962619	/nfs/dbraw/zinc/96/26/19/700962619.db2.gz	YDCMUQLVHMIMOF-QGZVFWFLSA-N	2	0	337.427	1.731	20	30		EDEDRP
C=C(C)CC[NH+]1CC(N2CCN(C(=O)[C@H]3CCC[N@H+]3C(C)C)CC2)C1	ZINC000941404389	701518982	/nfs/dbraw/zinc/51/89/82/701518982.db2.gz	DBTMHUVEWSRXCT-LJQANCHMSA-N	2	0	348.535	1.654	20	30		EDEDRP
C[N@@H+]1CC[C@H](C(=O)NCC2CN(CC#Cc3cccc(Cl)c3)C2)C1	ZINC001032183106	702154976	/nfs/dbraw/zinc/15/49/76/702154976.db2.gz	ZZZSIDRSTREUSC-KRWDZBQOSA-N	2	0	345.874	1.691	20	30		EDEDRP
C#CC[NH2+][C@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)CC1(C)C	ZINC000995900425	702206151	/nfs/dbraw/zinc/20/61/51/702206151.db2.gz	XZMNVZLNMFMHRU-SJORKVTESA-N	2	0	333.476	1.090	20	30		EDEDRP
CC(C)[NH+]=C(NCC(=O)N(C)C)N1CC[C@H](C)[C@H](n2ccnc2)C1	ZINC000185542436	703985207	/nfs/dbraw/zinc/98/52/07/703985207.db2.gz	IFAUFTJNURIUHH-LSDHHAIUSA-N	2	0	334.468	1.208	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)N(C)[C@@H]2CC[N@H+](CC3CCOCC3)C2)CC1	ZINC001033683160	708494781	/nfs/dbraw/zinc/49/47/81/708494781.db2.gz	FXFRQCAMWXOPLN-LJQANCHMSA-N	2	0	347.503	1.291	20	30		EDEDRP
C=C(C)CC[N@H+]1CC[C@H](N(CC)C(=O)c2ccn(CC[NH+](C)C)n2)C1	ZINC001033838097	708868106	/nfs/dbraw/zinc/86/81/06/708868106.db2.gz	OYVUJCXBAYCLDU-KRWDZBQOSA-N	2	0	347.507	1.947	20	30		EDEDRP
C=CC[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1	ZINC001034210508	709560959	/nfs/dbraw/zinc/56/09/59/709560959.db2.gz	PIEJKSBZCKBMCD-QRVBRYPASA-N	2	0	349.519	1.890	20	30		EDEDRP
C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1cc(F)ccc1C#N	ZINC001034881035	711280605	/nfs/dbraw/zinc/28/06/05/711280605.db2.gz	CRQIXROYTJPVEP-MSOLQXFVSA-N	2	0	344.434	1.872	20	30		EDEDRP
C#CCC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC[NH+]2C2CCOCC2)C1	ZINC001033139635	711936054	/nfs/dbraw/zinc/93/60/54/711936054.db2.gz	HLJFKGDRDPWPEH-MSOLQXFVSA-N	2	0	333.476	1.186	20	30		EDEDRP
COc1ccc(CCNC(=[NH2+])NCC[N@@H+]2CCC[C@@H](C)C2)cc1OC	ZINC000264070302	249330334	/nfs/dbraw/zinc/33/03/34/249330334.db2.gz	DBNCNDMBARXYJR-OAHLLOKOSA-N	2	0	348.491	1.883	20	30		EDEDRP
CC[N@H+](C)Cc1cccc(CNC(=[NH2+])NCCCN2CCOCC2)c1	ZINC000264075647	249331169	/nfs/dbraw/zinc/33/11/69/249331169.db2.gz	FQWYYIBQGPPDLC-UHFFFAOYSA-N	2	0	347.507	1.265	20	30		EDEDRP
C[C@H]([NH2+][C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)c1ccc(C#N)cc1	ZINC000423448017	270012473	/nfs/dbraw/zinc/01/24/73/270012473.db2.gz	DMJLDRWYLBPCGE-IRWQIABSSA-N	2	0	326.444	1.856	20	30		EDEDRP
C[NH+]1CCC([C@H]2CC[N@H+](C[C@@H]3CNc4c(C#N)cnn4C3)C2)CC1	ZINC000518188172	267333763	/nfs/dbraw/zinc/33/37/63/267333763.db2.gz	ZPZFEBIXWGXPHM-HOCLYGCPSA-N	2	0	328.464	1.460	20	30		EDEDRP
C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)COc1ccc(C#N)cc1	ZINC000057157363	441093549	/nfs/dbraw/zinc/09/35/49/441093549.db2.gz	RINBPCIVCBWPGP-UHFFFAOYSA-N	2	0	346.475	1.669	20	30		EDEDRP
CC[NH+]1CCN(CCNC(=[NH2+])N[C@@H]2CCOc3ccccc32)CC1	ZINC000083031571	441347829	/nfs/dbraw/zinc/34/78/29/441347829.db2.gz	AZUQBRPJLRFMPS-MRXNPFEDSA-N	2	0	331.464	1.052	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)N(CC[NH+](C)C)Cc2ccccc2)CC1	ZINC000068310721	441772107	/nfs/dbraw/zinc/77/21/07/441772107.db2.gz	SKSVUXUGGDJRSJ-UHFFFAOYSA-N	2	0	327.472	1.922	20	30		EDEDRP
C=CCN(CC=C)C(=O)CN1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1	ZINC000182626142	442797302	/nfs/dbraw/zinc/79/73/02/442797302.db2.gz	PBZDGBQIPIQTDW-DFNIBXOVSA-N	2	0	346.519	1.430	20	30		EDEDRP
C[NH+]=C(NCCn1cnc2ccccc21)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C	ZINC000262025578	443180217	/nfs/dbraw/zinc/18/02/17/443180217.db2.gz	ZQVYMJVUFNXRCB-RHSMWYFYSA-N	2	0	340.475	1.684	20	30		EDEDRP
C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CC[C@@H](N2CC[NH+](CC)CC2)C1	ZINC000245938269	443258404	/nfs/dbraw/zinc/25/84/04/443258404.db2.gz	TYKPVUQHZIBPPI-QZTJIDSGSA-N	2	0	336.524	1.511	20	30		EDEDRP
C#CC[N@@H+](C)CCCNC(=O)N[C@@H](C[NH+](C)C)c1ccc(OC)cc1	ZINC000297596857	444306509	/nfs/dbraw/zinc/30/65/09/444306509.db2.gz	VNTCWTCRKQNZDT-SFHVURJKSA-N	2	0	346.475	1.552	20	30		EDEDRP
CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@]1(CO)C[C@@H]1c1ccccc1	ZINC000290614899	444301594	/nfs/dbraw/zinc/30/15/94/444301594.db2.gz	JUMPARKHAZFMPV-LMMKCTJWSA-N	2	0	330.476	1.541	20	30		EDEDRP
C[C@H](C(=O)N(C)CC(=O)NC1CC1)N1CC[C@]2(C1)CCC[N@H+](C)C2	ZINC000328789984	444353747	/nfs/dbraw/zinc/35/37/47/444353747.db2.gz	QDBTWMXOBFSNMG-RDTXWAMCSA-N	2	0	336.480	1.370	20	30		EDEDRP
N#Cc1cccc(C[N@H+]2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)c1	ZINC000325808325	444369632	/nfs/dbraw/zinc/36/96/32/444369632.db2.gz	OWSBAAKBNPENLZ-ZWKOTPCHSA-N	2	0	326.444	1.638	20	30		EDEDRP
CC(C)[C@@H]1CN(CC#CCN2CC[N@H+](C)[C@@H](C(C)C)C2)CC[NH+]1C	ZINC000342127287	444522598	/nfs/dbraw/zinc/52/25/98/444522598.db2.gz	KLGOUDOGGGNTJP-BGYRXZFFSA-N	2	0	334.552	1.534	20	30		EDEDRP
C=CCOc1cccc(C[N@@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)c1	ZINC000347136108	445232925	/nfs/dbraw/zinc/23/29/25/445232925.db2.gz	TZWRLPFUTFDKOO-SFHVURJKSA-N	2	0	343.471	1.895	20	30		EDEDRP
C=CC[NH+]1CCC(NC(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)CC1	ZINC000369669436	446144658	/nfs/dbraw/zinc/14/46/58/446144658.db2.gz	ACQVOVWMMQFUHD-UHFFFAOYSA-N	2	0	346.479	1.922	20	30		EDEDRP
CC[C@@H](C)[NH+]1CCN(CC#CCN2CC[NH+]([C@@H](C)CC)CC2)CC1	ZINC000451845258	447760204	/nfs/dbraw/zinc/76/02/04/447760204.db2.gz	PKIGISNCORQRIX-BGYRXZFFSA-N	2	0	334.552	1.822	20	30		EDEDRP
C=C(C)C[NH+]1CCC(NC(=O)N2CCC([NH2+]CCOC)CC2)CC1	ZINC000519757295	448835363	/nfs/dbraw/zinc/83/53/63/448835363.db2.gz	DCAXWSMOVINBMN-UHFFFAOYSA-N	2	0	338.496	1.437	20	30		EDEDRP
C[C@H](Cc1ccc(C#N)cc1)C(=O)N(CC[NH+](C)C)CC[NH+](C)C	ZINC000594284282	449430455	/nfs/dbraw/zinc/43/04/55/449430455.db2.gz	UKNKLPAKQSAOMZ-MRXNPFEDSA-N	2	0	330.476	1.689	20	30		EDEDRP
C[NH+]1CCN(Cc2ccc(NC(=O)[C@H]([NH3+])CCCCC#N)cc2)CC1	ZINC000594439076	449518514	/nfs/dbraw/zinc/51/85/14/449518514.db2.gz	NNWVIDOUURJZIP-GOSISDBHSA-N	2	0	343.475	1.784	20	30		EDEDRP
CC(C)(C#N)C[C@@H](O)C[NH2+]CCN1CC[NH+](Cc2ccccc2)CC1	ZINC000598703552	449554784	/nfs/dbraw/zinc/55/47/84/449554784.db2.gz	HNTINJCCDRAKCB-LJQANCHMSA-N	2	0	344.503	1.695	20	30		EDEDRP
C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)CC1(C#N)CCOCC1	ZINC000597218082	449878015	/nfs/dbraw/zinc/87/80/15/449878015.db2.gz	GYVDDCZONSLOMX-UHFFFAOYSA-N	2	0	338.496	1.429	20	30		EDEDRP
C[NH+]1CCC2(CC[N@H+](C[C@@H](O)COc3ccc(CC#N)cc3)C2)CC1	ZINC000602878389	449887142	/nfs/dbraw/zinc/88/71/42/449887142.db2.gz	RCFIHHYKKARBOS-GOSISDBHSA-N	2	0	343.471	1.910	20	30		EDEDRP
C=CCNC(=O)NC(=O)[C@H](C)[N@H+](CC)Cc1ccc(C[NH+](C)C)cc1	ZINC000599657358	450133071	/nfs/dbraw/zinc/13/30/71/450133071.db2.gz	HCSMZDMSABCWTC-HNNXBMFYSA-N	2	0	346.475	1.970	20	30		EDEDRP
C=CC[NH+](CC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1)C(C)(C)C	ZINC000661754801	452554823	/nfs/dbraw/zinc/55/48/23/452554823.db2.gz	BOHADLLGABXIRD-INIZCTEOSA-N	2	0	325.497	1.746	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)CC1	ZINC000126763019	526922940	/nfs/dbraw/zinc/92/29/40/526922940.db2.gz	OGLRHIWQIBQOMY-PKOBYXMFSA-N	2	0	329.488	1.807	20	30		EDEDRP
CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H](C)N1CCc2sccc2C1	ZINC000104173576	529101584	/nfs/dbraw/zinc/10/15/84/529101584.db2.gz	UBSLUSVYDSFKEK-ZBFHGGJFSA-N	2	0	349.548	1.883	20	30		EDEDRP
CC(C)(C[NH3+])C1CC[NH+](C[C@H](O)COc2ccc(C#N)cc2)CC1	ZINC000903790818	592316266	/nfs/dbraw/zinc/31/62/66/592316266.db2.gz	BXPPJPAEZFHJOD-KRWDZBQOSA-N	2	0	331.460	1.995	20	30		EDEDRP
C#CC[N@H+](C)CCCNC(=O)N[C@@H]1CCC[NH+](Cc2ccccc2)C1	ZINC000836240704	594941897	/nfs/dbraw/zinc/94/18/97/594941897.db2.gz	CEIDKHKQJPBOIE-LJQANCHMSA-N	2	0	342.487	1.905	20	30		EDEDRP
C=CCNC(=O)CNC(=[NH2+])NC1CC[NH+](Cc2ccccc2)CC1	ZINC000849076974	595478695	/nfs/dbraw/zinc/47/86/95/595478695.db2.gz	CCNSETVOUMDJAF-UHFFFAOYSA-N	2	0	329.448	1.067	20	30		EDEDRP
C[C@@H]1C[C@H](NC(=O)C#CC2CC[NH2+]CC2)C[N@@H+]1Cc1ccccc1	ZINC000852869566	595589377	/nfs/dbraw/zinc/58/93/77/595589377.db2.gz	HLTBRYAGTQFHRW-APWZRJJASA-N	2	0	325.456	1.769	20	30		EDEDRP
N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N[C@@H](C[NH3+])C1CCCCC1	ZINC000867966388	596637664	/nfs/dbraw/zinc/63/76/64/596637664.db2.gz	PKFYPVLPPOYTBY-ROUUACIJSA-N	2	0	326.444	1.769	20	30		EDEDRP
CCC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N[C@H]1C[NH2+]C[C@@H]1C#N	ZINC000876801736	597344847	/nfs/dbraw/zinc/34/48/47/597344847.db2.gz	IDBCJDSAENLDOG-HCXYKTFWSA-N	2	0	340.471	1.762	20	30		EDEDRP
C=C(Cl)C[C@H]([NH3+])C(=O)NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1	ZINC000876961719	597398233	/nfs/dbraw/zinc/39/82/33/597398233.db2.gz	WJLLAPQWHMFTLZ-CVEARBPZSA-N	2	0	337.851	1.339	20	30		EDEDRP
C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)C#CC1CC[NH2+]CC1	ZINC000877134790	597440322	/nfs/dbraw/zinc/44/03/22/597440322.db2.gz	XPJKMARRUQZOKN-PXNSSMCTSA-N	2	0	339.483	1.874	20	30		EDEDRP
C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)C#CC1CC[NH2+]CC1	ZINC000877134792	597440395	/nfs/dbraw/zinc/44/03/95/597440395.db2.gz	XPJKMARRUQZOKN-YLJYHZDGSA-N	2	0	339.483	1.874	20	30		EDEDRP
N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)NCC[C@@H]([NH3+])Cc1ccccc1	ZINC000877160452	597447296	/nfs/dbraw/zinc/44/72/96/597447296.db2.gz	XATIIZQPMRQIPT-QUCCMNQESA-N	2	0	348.450	1.821	20	30		EDEDRP
C[NH+]1CCN(c2ccc(C[NH+]3CCN(CCC#N)CC3)cc2)CC1	ZINC000877748140	597552911	/nfs/dbraw/zinc/55/29/11/597552911.db2.gz	SWVYCRJNJWZUBI-UHFFFAOYSA-N	2	0	327.476	1.470	20	30		EDEDRP
C[C@@H](O)CC[NH+](C)Cc1cc(C#N)cc(C[N@@H+](C)CC[C@H](C)O)c1	ZINC000878134516	597580825	/nfs/dbraw/zinc/58/08/25/597580825.db2.gz	RVXZZSQQTMJXNJ-IYBDPMFKSA-N	2	0	333.476	1.964	20	30		EDEDRP
C#CC[N@@H+](C)CCCNC(=O)N1CCN(c2cc[nH+]cc2)C[C@@H]1C	ZINC000884377413	598086216	/nfs/dbraw/zinc/08/62/16/598086216.db2.gz	JVNKSIUAUHZNNR-INIZCTEOSA-N	2	0	329.448	1.257	20	30		EDEDRP
CC(C)[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](Cc2ccc(C#N)cc2)C1	ZINC001031666629	697450487	/nfs/dbraw/zinc/45/04/87/697450487.db2.gz	QUUCHXCXPBRWOD-IBGZPJMESA-N	2	0	340.471	1.979	20	30		EDEDRP
C=CCC[NH+]1CC(N2CCN(C(=O)[C@H]3CCC[N@@H+](CCC)C3)CC2)C1	ZINC000941532251	701572832	/nfs/dbraw/zinc/57/28/32/701572832.db2.gz	VKSKJYXCMQEVKK-SFHVURJKSA-N	2	0	348.535	1.513	20	30		EDEDRP
C=C(C)CC[NH+]1CC(N2CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC2)C1	ZINC000941554020	701578715	/nfs/dbraw/zinc/57/87/15/701578715.db2.gz	VXWDGDLVGYUEDI-GOSISDBHSA-N	2	0	336.524	1.367	20	30		EDEDRP
C=C(Br)C[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1C	ZINC000939757385	699924343	/nfs/dbraw/zinc/92/43/43/699924343.db2.gz	YBZQFRAHWISYQB-WCQYABFASA-N	2	0	330.270	1.427	20	30		EDEDRP
C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)CC1(C)C	ZINC000996335611	702718178	/nfs/dbraw/zinc/71/81/78/702718178.db2.gz	ZHYPISCQVAUQHN-CEXWTWQISA-N	2	0	339.483	1.792	20	30		EDEDRP
C[C@@H]1[C@H](C(=O)N(C)[C@@H]2CCN(Cc3ccc(C#N)s3)C2)CC[N@@H+]1C	ZINC001033094760	704178965	/nfs/dbraw/zinc/17/89/65/704178965.db2.gz	JHWOEEQRGKDVPT-CKEIUWERSA-N	2	0	346.500	1.993	20	30		EDEDRP
C#CC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[C@H]4CCC[N@@H+]43)CC[C@@H]2C1	ZINC000946818305	707576367	/nfs/dbraw/zinc/57/63/67/707576367.db2.gz	GZYJOJRQUCZGSW-RDGPPVDQSA-N	2	0	329.488	1.807	20	30		EDEDRP
CN(C(=O)[C@@H]1CC[NH+](C)C1)[C@@H]1CC[N@H+](Cc2cccc(C#N)c2)C1	ZINC001033661581	708474833	/nfs/dbraw/zinc/47/48/33/708474833.db2.gz	LSKTWGUUDXMUQV-QZTJIDSGSA-N	2	0	326.444	1.543	20	30		EDEDRP
C=CCC[N@H+]1CCCC[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1	ZINC001034208308	709557492	/nfs/dbraw/zinc/55/74/92/709557492.db2.gz	BDWVSSNBUJGBIC-MRXNPFEDSA-N	2	0	333.480	1.605	20	30		EDEDRP
C#CCC[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CCC[NH+]2C2CCOCC2)C1	ZINC001034241245	709626832	/nfs/dbraw/zinc/62/68/32/709626832.db2.gz	PPQYWWRERCOQAK-IEBWSBKVSA-N	2	0	347.503	1.624	20	30		EDEDRP
C=C(C)CC[N@H+]1CCCC[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1	ZINC001034435152	710007994	/nfs/dbraw/zinc/00/79/94/710007994.db2.gz	FZNLJLCYOPZGJD-GOSISDBHSA-N	2	0	347.507	1.995	20	30		EDEDRP
C[NH+]1CCC(C[NH2+]Cc2csc(C#N)c2)(N2CCOCC2)CC1	ZINC000922185045	710366456	/nfs/dbraw/zinc/36/64/56/710366456.db2.gz	WBRAXJSJTXNSSF-UHFFFAOYSA-N	2	0	334.489	1.506	20	30		EDEDRP
C[N@@H+]1CC[C@H](C(=O)NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1	ZINC001004140957	711540167	/nfs/dbraw/zinc/54/01/67/711540167.db2.gz	AYCXOGHDCCPBKA-KRWDZBQOSA-N	2	0	326.444	1.591	20	30		EDEDRP
C=C(C)C[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CCC[NH+]2C2CCOCC2)C1	ZINC001033141879	711945090	/nfs/dbraw/zinc/94/50/90/711945090.db2.gz	PHAAJBOZQNNMOG-ZWKOTPCHSA-N	2	0	335.492	1.739	20	30		EDEDRP
CN1CC[N@H+](C)C[C@@H]1CNC(=O)NCC1([NH+](C)C)CCCCCC1	ZINC000329399646	539433944	/nfs/dbraw/zinc/43/39/44/539433944.db2.gz	YKZAEHPYYZBLJA-INIZCTEOSA-N	2	0	339.528	1.390	20	30		EDEDRP
C[N@H+](CCCC[NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)C1CC1	ZINC000563001173	306315380	/nfs/dbraw/zinc/31/53/80/306315380.db2.gz	QIHYSRBHEBXWCT-UHFFFAOYSA-N	2	0	335.473	1.796	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)NCC2([NH+](C)C)Cc3ccccc3C2)CC1	ZINC000265934982	201217772	/nfs/dbraw/zinc/21/77/72/201217772.db2.gz	QWRLKCWOICWVON-UHFFFAOYSA-N	2	0	339.483	1.547	20	30		EDEDRP
C[NH+](C)CCN1CCC([NH2+][C@@H]2CCC[C@@H]3O[C@@H](CC#N)C[C@@H]32)CC1	ZINC000373227337	250235179	/nfs/dbraw/zinc/23/51/79/250235179.db2.gz	JGTBYLHSUMSRGT-MANSERQUSA-N	2	0	334.508	1.842	20	30		EDEDRP
COC1CC[NH+](C2(CNC(=O)[C@@H]([NH3+])CCCC#N)CCCC2)CC1	ZINC000424143419	252141359	/nfs/dbraw/zinc/14/13/59/252141359.db2.gz	JNLDUJSGHKJGTP-INIZCTEOSA-N	2	0	336.480	1.547	20	30		EDEDRP
C[NH2+]CCCc1[nH]nc(NC(=O)[C@H](C)[NH+]2[C@@H](C)CC[C@@H]2C)c1C#N	ZINC000089674794	287321824	/nfs/dbraw/zinc/32/18/24/287321824.db2.gz	IPWCPUJFDKREGH-AVGNSLFASA-N	2	0	332.452	1.633	20	30		EDEDRP
CN1CC[NH+](CCCC[NH2+]Cc2cnc3ccc(C#N)cn23)CC1	ZINC000123286099	287386735	/nfs/dbraw/zinc/38/67/35/287386735.db2.gz	XWHNAWJCCKLKQZ-UHFFFAOYSA-N	2	0	326.448	1.323	20	30		EDEDRP
C[NH+]=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)N1CCN(c2cccs2)CC1	ZINC000158900616	441772527	/nfs/dbraw/zinc/77/25/27/441772527.db2.gz	KHHKZICNLATDOF-HNNXBMFYSA-N	2	0	347.532	1.930	20	30		EDEDRP
CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@](C)(O)c1ccccc1Cl	ZINC000154568128	442345843	/nfs/dbraw/zinc/34/58/43/442345843.db2.gz	NVTTVVRRTXMXJC-GUYCJALGSA-N	2	0	338.883	1.936	20	30		EDEDRP
C[NH+]=C(NCc1ccc(C(N)=O)o1)N1CC[C@H]([NH+]2CCCCC2)C1	ZINC000262340883	443191353	/nfs/dbraw/zinc/19/13/53/443191353.db2.gz	COYZAFWDHPXKSU-ZDUSSCGKSA-N	2	0	333.436	1.014	20	30		EDEDRP
C[NH+](C)C1(CNC(=[NH2+])N[C@H]2CCOc3ccccc32)CCOCC1	ZINC000262545523	443199450	/nfs/dbraw/zinc/19/94/50/443199450.db2.gz	UZSPTXFVFMKQCK-HNNXBMFYSA-N	2	0	332.448	1.525	20	30		EDEDRP
CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccccc1Cn1ccnc1	ZINC000264055253	443247435	/nfs/dbraw/zinc/24/74/35/443247435.db2.gz	APBDEAFTGPANNI-SFHVURJKSA-N	2	0	340.475	1.820	20	30		EDEDRP
CCN(C[C@H](C)C#N)C(=O)C[N@H+](C)CC1CC[NH+](C[C@H](C)O)CC1	ZINC000303239381	444234865	/nfs/dbraw/zinc/23/48/65/444234865.db2.gz	AEUYBOPLGPEXKA-CVEARBPZSA-N	2	0	338.496	1.019	20	30		EDEDRP
CN1CC[C@H]([NH+]2CCC(NC(=O)[C@@H]3CCC[N@@H+]3C3CC3)CC2)C1=O	ZINC000329174885	444492394	/nfs/dbraw/zinc/49/23/94/444492394.db2.gz	LXAVTBPTHUCJLW-HOTGVXAUSA-N	2	0	334.464	1.265	20	30		EDEDRP
C[C@@H]1C[C@@H](NC(=O)NCC2([NH+]3CCCC3)CCOCC2)CC[N@@H+]1C	ZINC000329748587	444699851	/nfs/dbraw/zinc/69/98/51/444699851.db2.gz	FMZCVSMFIZHUII-CVEARBPZSA-N	2	0	338.496	1.618	20	30		EDEDRP
C=CCN1CC[C@H]([NH+]2CCC(CCC[NH+]3CCOCC3)CC2)C1=O	ZINC000337206748	444984833	/nfs/dbraw/zinc/98/48/33/444984833.db2.gz	NDDBAFPWOCRWLH-SFHVURJKSA-N	2	0	335.492	1.598	20	30		EDEDRP
C[NH+](C)CCN(CC[NH+](C)C)C(=O)CSCc1ccc(C#N)cc1	ZINC000530641461	447931885	/nfs/dbraw/zinc/93/18/85/447931885.db2.gz	DZFZNHHOOVVDNE-UHFFFAOYSA-N	2	0	348.516	1.743	20	30		EDEDRP
N#CC1(C[C@@H](O)C[NH2+]Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)CC1	ZINC000600733631	449523203	/nfs/dbraw/zinc/52/32/03/449523203.db2.gz	FGLJICJNPWRLIP-ZWKOTPCHSA-N	2	0	329.444	1.398	20	30		EDEDRP
CC(C)[C@H](C[NH2+][C@H](C)CC1(C#N)CCOCC1)N1CC[NH+](C)CC1	ZINC000602509844	449638816	/nfs/dbraw/zinc/63/88/16/449638816.db2.gz	GURFFVMCFIOACH-MSOLQXFVSA-N	2	0	336.524	1.947	20	30		EDEDRP
N#CCCn1cc(C[NH2+]CCN2CC[C@@H](O)C2)c(-c2ccccc2)n1	ZINC000599010192	449697833	/nfs/dbraw/zinc/69/78/33/449697833.db2.gz	RRLCUKWUNUCZAP-GOSISDBHSA-N	2	0	339.443	1.620	20	30		EDEDRP
CC[NH+]1[C@H](C)CN(CC#CCN2C[C@@H](C)[N@H+](CC)[C@@H](C)C2)C[C@@H]1C	ZINC000639743072	452088535	/nfs/dbraw/zinc/08/85/35/452088535.db2.gz	ZPCVNMWCWVCUMP-FGYAAKKASA-N	2	0	334.552	1.819	20	30		EDEDRP
C=CC[NH+](CC=C)[C@@H](CNC(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1)C(C)C	ZINC000663667938	452406017	/nfs/dbraw/zinc/40/60/17/452406017.db2.gz	JGTHVGVBUPJZDK-ULQDDVLXSA-N	2	0	338.496	1.001	20	30		EDEDRP
C=CC[C@@]1(C(=O)NCCc2ccc(OCC[NH+](C)C)cc2)CCC[NH2+]1	ZINC000662716562	453440352	/nfs/dbraw/zinc/44/03/52/453440352.db2.gz	DNNVIUYVANEVLN-FQEVSTJZSA-N	2	0	345.487	1.984	20	30		EDEDRP
C[NH+](C)CCN(CC[NH+](C)C)C(=O)Cc1ccc(OCC#N)cc1	ZINC000732074722	578689771	/nfs/dbraw/zinc/68/97/71/578689771.db2.gz	RSSCKRCJVNZYSF-UHFFFAOYSA-N	2	0	332.448	1.083	20	30		EDEDRP
C=CC[NH+]1CCC(NC(=O)N2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)CC1	ZINC000891521910	591105791	/nfs/dbraw/zinc/10/57/91/591105791.db2.gz	MMLQBBIVRQDXCD-YPMHNXCESA-N	2	0	334.386	1.415	20	30		EDEDRP
C=CC[NH+]1CCC(NC(=O)NCC[C@H]([NH3+])Cc2ccccc2)CC1	ZINC000891522687	591105808	/nfs/dbraw/zinc/10/58/08/591105808.db2.gz	URLKYGZCJPKEPI-KRWDZBQOSA-N	2	0	330.476	1.896	20	30		EDEDRP
CC(C)([NH3+])CCNC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1	ZINC000892859221	591207487	/nfs/dbraw/zinc/20/74/87/591207487.db2.gz	CTJITCQAKPFGHM-UHFFFAOYSA-N	2	0	343.475	1.903	20	30		EDEDRP
C=C(CC[NH+](C)C)C(=O)N[C@@H]1CC[N@@H+](CCCOCC)C[C@@H]1C	ZINC000900729206	592110328	/nfs/dbraw/zinc/11/03/28/592110328.db2.gz	CBOXOHVQOWJNLA-DLBZAZTESA-N	2	0	325.497	1.748	20	30		EDEDRP
C=C(CC[NH+](C)C)C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1	ZINC000900980617	592188715	/nfs/dbraw/zinc/18/87/15/592188715.db2.gz	GYZJSFDIHQYQMT-UHFFFAOYSA-N	2	0	337.508	1.893	20	30		EDEDRP
N#Cc1ccc(N2CC[NH+](C[C@@H]3C[C@@]4(CC[NH2+]C4)CO3)CC2)cc1	ZINC000903777503	592318828	/nfs/dbraw/zinc/31/88/28/592318828.db2.gz	BPITVWFKWLWINP-RBUKOAKNSA-N	2	0	326.444	1.449	20	30		EDEDRP
N#Cc1cccc(C[NH+]2CCC(NC(=O)C34CC[NH+](CC3)C4)CC2)c1	ZINC000911922636	593033602	/nfs/dbraw/zinc/03/36/02/593033602.db2.gz	ZOAROLZFGWSPRW-UHFFFAOYSA-N	2	0	338.455	1.735	20	30		EDEDRP
Cc1cc(NC(=O)C#CC2CC[NH2+]CC2)n(C2CC[NH+](C)CC2)n1	ZINC000852869502	595589477	/nfs/dbraw/zinc/58/94/77/595589477.db2.gz	BOUQWGQWNNVWBS-UHFFFAOYSA-N	2	0	329.448	1.400	20	30		EDEDRP
N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)N1C[C@H]([NH3+])Cc2ccccc21	ZINC000867980668	596643057	/nfs/dbraw/zinc/64/30/57/596643057.db2.gz	WRSUEPCPCDZOJO-VQIMIIECSA-N	2	0	332.407	1.662	20	30		EDEDRP
N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)N1CCc2ccccc2[C@@H]1C[NH3+]	ZINC000867981624	596644016	/nfs/dbraw/zinc/64/40/16/596644016.db2.gz	VHCNPZYCFLOSHM-VQTJNVASSA-N	2	0	346.434	1.830	20	30		EDEDRP
C[NH+](C)C[C@@H]1CN(c2ccc([N+](=O)[O-])c(C#N)c2)C[C@H]1C[NH+](C)C	ZINC000866011950	596757581	/nfs/dbraw/zinc/75/75/81/596757581.db2.gz	NFOBJNHRTWHPBJ-HUUCEWRRSA-N	2	0	331.420	1.642	20	30		EDEDRP
N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1	ZINC000876786741	597340184	/nfs/dbraw/zinc/34/01/84/597340184.db2.gz	CCTOOPDGMMWIIU-RBUKOAKNSA-N	2	0	338.455	1.736	20	30		EDEDRP
C[NH2+]CCC1CCN(C(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)CC1	ZINC000876791172	597341448	/nfs/dbraw/zinc/34/14/48/597341448.db2.gz	FREZUVXDUDHRGA-SFHVURJKSA-N	2	0	326.444	1.593	20	30		EDEDRP
N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)N1CCC([C@H]2CC[NH2+]C2)CC1	ZINC000876853120	597359949	/nfs/dbraw/zinc/35/99/49/597359949.db2.gz	FENVYNBVJKEQEH-PKOBYXMFSA-N	2	0	338.455	1.593	20	30		EDEDRP
C[NH+]1CCN(C2CC[NH+](CCOc3cccc(C#N)c3)CC2)CC1	ZINC000879592537	597649137	/nfs/dbraw/zinc/64/91/37/597649137.db2.gz	KKXQYXUAOOFKSL-UHFFFAOYSA-N	2	0	328.460	1.649	20	30		EDEDRP
N#C[C@H]1C[NH2+]CC12CC(C(=O)N1CCC([C@H]3CCC[NH2+]C3)CC1)C2	ZINC000884394573	598091994	/nfs/dbraw/zinc/09/19/94/598091994.db2.gz	IYDLFLWUYCLYMV-WPZCVXBKSA-N	2	0	330.476	1.364	20	30		EDEDRP
C#CC[NH+]1CCC(NC(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)CC1	ZINC000914071772	695061916	/nfs/dbraw/zinc/06/19/16/695061916.db2.gz	AMTPUIAZNRATKI-SFHVURJKSA-N	2	0	334.508	1.894	20	30		EDEDRP
C#CCN(C(=O)NC1CC[NH+](C(C)(C)C)CC1)C1CC[NH+](C)CC1	ZINC000914275114	695329764	/nfs/dbraw/zinc/32/97/64/695329764.db2.gz	HPSHZBRLWQBZMI-UHFFFAOYSA-N	2	0	334.508	1.988	20	30		EDEDRP
C#CCC[N@H+]1CCC[C@@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)[C@@H]1C	ZINC000993582377	696234092	/nfs/dbraw/zinc/23/40/92/696234092.db2.gz	ZHTCZICFHJOMBH-DOTOQJQBSA-N	2	0	337.427	1.873	20	30		EDEDRP
C#CCN(C(=O)NC[C@@]1([NH+](C)C)CCSC1)C1CC[NH+](C)CC1	ZINC000921311743	697554730	/nfs/dbraw/zinc/55/47/30/697554730.db2.gz	BGECDIXLAPHZPU-KRWDZBQOSA-N	2	0	338.521	1.163	20	30		EDEDRP
Cc1nc[nH]c1CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccccc2C#N)C1	ZINC000939622519	699759478	/nfs/dbraw/zinc/75/94/78/699759478.db2.gz	LXUITCMROCULNF-FZKQIMNGSA-N	2	0	337.427	1.769	20	30		EDEDRP
C=CCC[NH+]1CC(N2CCN(C(=O)[C@@H]3CCCC[N@H+]3CC)CC2)C1	ZINC000941674678	701614543	/nfs/dbraw/zinc/61/45/43/701614543.db2.gz	GTMHPDFRISXKFG-SFHVURJKSA-N	2	0	334.508	1.265	20	30		EDEDRP
C=C(C)C[N@H+]1CC[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C(C)(C)C1	ZINC000940751637	700889597	/nfs/dbraw/zinc/88/95/97/700889597.db2.gz	SAEDCQWPPRCANF-QGZVFWFLSA-N	2	0	347.507	1.851	20	30		EDEDRP
CC#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCc3cncn3C2)C(C)(C)C1	ZINC000940850435	700935405	/nfs/dbraw/zinc/93/54/05/700935405.db2.gz	FJCRDURNTYVGNT-RDJZCZTQSA-N	2	0	328.460	1.686	20	30		EDEDRP
C=CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C(C)(C)C1	ZINC000940908388	700980281	/nfs/dbraw/zinc/98/02/81/700980281.db2.gz	JJVFTGGYVKBNEQ-YJTLQXIOSA-N	2	0	333.476	1.252	20	30		EDEDRP
C=C(C)C[N@H+]1CC[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C(C)(C)C1	ZINC000941090865	701134019	/nfs/dbraw/zinc/13/40/19/701134019.db2.gz	LBCAZHVZISAUHH-KRWDZBQOSA-N	2	0	347.507	1.851	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)NCC2C[NH+](Cc3ccccc3)C2)CC1	ZINC001032207314	702142915	/nfs/dbraw/zinc/14/29/15/702142915.db2.gz	MLLJXTQLNMTZCU-UHFFFAOYSA-N	2	0	325.456	1.580	20	30		EDEDRP
C=C(Br)C[NH2+][C@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1(C)C	ZINC000996611003	702916275	/nfs/dbraw/zinc/91/62/75/702916275.db2.gz	LZBHOISUNOQYGC-OLZOCXBDSA-N	2	0	344.297	1.673	20	30		EDEDRP
C[C@H]1C[N@H+](C)C[C@H]1C(=O)N1CCC([NH2+]Cc2ccc(C#N)s2)CC1	ZINC000997005416	703262839	/nfs/dbraw/zinc/26/28/39/703262839.db2.gz	DJFYAWFPMPUIBW-SUMWQHHRSA-N	2	0	346.500	1.898	20	30		EDEDRP
C#CC[NH2+][C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)CC[C@@H]1C(F)(F)F	ZINC000998306838	705711866	/nfs/dbraw/zinc/71/18/66/705711866.db2.gz	UUPGUVPTWYNURP-LSDHHAIUSA-N	2	0	345.409	1.721	20	30		EDEDRP
C[C@@H]1[C@H](C(=O)N(C)C2CC([NH2+]Cc3ccccc3C#N)C2)CC[N@@H+]1C	ZINC000998796544	706243702	/nfs/dbraw/zinc/24/37/02/706243702.db2.gz	PSBORCOEIAITIG-YOODTLSXSA-N	2	0	340.471	1.977	20	30		EDEDRP
C#CCN1CCC[C@H]1C(=O)N1CCC[C@@H](NCc2cc(C)on2)C1	ZINC000999397258	706891413	/nfs/dbraw/zinc/89/14/13/706891413.db2.gz	LHRRLQVEWXADJA-WBVHZDCISA-N	2	0	330.432	1.161	20	30		EDEDRP
CN(C(=O)C1CC[NH+](C)CC1)[C@H]1CC[N@H+](Cc2cccc(C#N)c2)C1	ZINC001033386461	707753531	/nfs/dbraw/zinc/75/35/31/707753531.db2.gz	CFRWLFKEPHFYJA-IBGZPJMESA-N	2	0	340.471	1.933	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3C[C@@H]2CCCCO2)CC1	ZINC001032800471	708081042	/nfs/dbraw/zinc/08/10/42/708081042.db2.gz	KIIBXPGETDNOSX-FHWLQOOXSA-N	2	0	345.487	1.186	20	30		EDEDRP
C=CC[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1	ZINC001034210507	709560605	/nfs/dbraw/zinc/56/06/05/709560605.db2.gz	PIEJKSBZCKBMCD-OTWHNJEPSA-N	2	0	349.519	1.890	20	30		EDEDRP
C=C(C)CC[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1	ZINC001034321128	709771094	/nfs/dbraw/zinc/77/10/94/709771094.db2.gz	RRPLUKLMQFJMPS-NNVNDSJASA-N	2	0	347.503	1.787	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCC[N@@H+](C[C@H](C)OC)C2)CC1	ZINC001034538358	710211049	/nfs/dbraw/zinc/21/10/49/710211049.db2.gz	MTOAJIDLHGGYCU-FUHWJXTLSA-N	2	0	335.492	1.337	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)N[C@H]2CCCC[N@@H+]([C@@H](C)COC)C2)CC1	ZINC001034539183	710212676	/nfs/dbraw/zinc/21/26/76/710212676.db2.gz	WSJAVYUGGUNWGV-WMZOPIPTSA-N	2	0	335.492	1.337	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCC[N@@H+]([C@@H](C)COC)C2)CC1	ZINC001034539181	710213050	/nfs/dbraw/zinc/21/30/50/710213050.db2.gz	WSJAVYUGGUNWGV-FUHWJXTLSA-N	2	0	335.492	1.337	20	30		EDEDRP
C[NH+]=C(N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2)NC1CC[NH+](CC2CC2)CC1	ZINC000246479699	249309793	/nfs/dbraw/zinc/30/97/93/249309793.db2.gz	JRINNXYFEXGYDF-RCCFBDPRSA-N	2	0	346.519	1.983	20	30		EDEDRP
CCC[N@H+](CCN1CC[NH+](CC)CC1)[C@H](C)C(=O)NC1(C#N)CCC1	ZINC000344156345	250016296	/nfs/dbraw/zinc/01/62/96/250016296.db2.gz	LBIFNGGGHFWECK-QGZVFWFLSA-N	2	0	349.523	1.287	20	30		EDEDRP
CO[C@H]1C[C@@H](C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)[N@H+](C)C1	ZINC000346705169	143235153	/nfs/dbraw/zinc/23/51/53/143235153.db2.gz	XLGUMIMTQUEGRL-ROUUACIJSA-N	2	0	344.459	1.168	20	30		EDEDRP
C[N@@H+]1CCC[C@@H](CC[NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)C1	ZINC000521426835	267335727	/nfs/dbraw/zinc/33/57/27/267335727.db2.gz	QNZBRTRDRFFKKB-INIZCTEOSA-N	2	0	335.473	1.653	20	30		EDEDRP
C#CC[N@@H+](C)CCCNC(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C	ZINC000296559027	275380445	/nfs/dbraw/zinc/38/04/45/275380445.db2.gz	WSWIYVHHLZBDSC-KRWDZBQOSA-N	2	0	334.439	1.683	20	30		EDEDRP
C[NH+]1CCC(C[NH2+]Cc2ccc(C#N)s2)(N2CCOCC2)CC1	ZINC000556894471	306221101	/nfs/dbraw/zinc/22/11/01/306221101.db2.gz	PFAVIIPYRSCMHV-UHFFFAOYSA-N	2	0	334.489	1.506	20	30		EDEDRP
COc1cc(C[N@@H+]2CCC[C@@H](n3cc(C[NH3+])nn3)C2)ccc1C#N	ZINC000415122359	447391658	/nfs/dbraw/zinc/39/16/58/447391658.db2.gz	IEIZROFSFXVGTG-MRXNPFEDSA-N	2	0	326.404	1.454	20	30		EDEDRP
C[NH+]=C(NC[C@H]1CCC[N@@H+]1C)N[C@H]1CCN(c2cccc(OC)c2)C1	ZINC000262830408	443213722	/nfs/dbraw/zinc/21/37/22/443213722.db2.gz	VBKFMOFDDPKSKQ-DOTOQJQBSA-N	2	0	345.491	1.533	20	30		EDEDRP
CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@](C)(O)c1ccc(F)cc1F	ZINC000267473268	443469646	/nfs/dbraw/zinc/46/96/46/443469646.db2.gz	YOXNMHSTSWAPCV-CXAGYDPISA-N	2	0	340.418	1.561	20	30		EDEDRP
C[C@H]([NH2+]CCCN1CCC[C@@H]1C(N)=O)c1ccc(OCC#N)cc1	ZINC000271919244	443518077	/nfs/dbraw/zinc/51/80/77/443518077.db2.gz	ZQCLUKAIXKNPAM-WMLDXEAASA-N	2	0	330.432	1.579	20	30		EDEDRP
C[NH+](C)CCC1CC[NH+](CC(=O)NCc2ccc(C#N)cc2)CC1	ZINC000299413699	444039880	/nfs/dbraw/zinc/03/98/80/444039880.db2.gz	LKEGEWUDAIQVFC-UHFFFAOYSA-N	2	0	328.460	1.838	20	30		EDEDRP
C#CCN(C)CCC[NH2+][C@H](C)c1ccc(S(C)(=O)=O)c(F)c1	ZINC000295086261	444165242	/nfs/dbraw/zinc/16/52/42/444165242.db2.gz	ULETVPJVIFEGRP-CYBMUJFWSA-N	2	0	326.437	1.835	20	30		EDEDRP
C[N@@H+]1CCC[C@@H]2C[NH+](C[C@H](O)COc3ccccc3C#N)CC[C@H]21	ZINC000325272154	444362627	/nfs/dbraw/zinc/36/26/27/444362627.db2.gz	HNCIBLZYVDAZKD-FGTMMUONSA-N	2	0	329.444	1.714	20	30		EDEDRP
C[C@H](CNC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)C[NH+]1CCN(C)CC1	ZINC000329778879	444713985	/nfs/dbraw/zinc/71/39/85/444713985.db2.gz	QMBHXONWCUFAII-ZACQAIPSSA-N	2	0	337.512	1.000	20	30		EDEDRP
CCCC[NH+]1CCC(NC(=O)NC[C@H]2C[N@H+](C)CCN2C)CC1	ZINC000330741834	445121467	/nfs/dbraw/zinc/12/14/67/445121467.db2.gz	PVFYTIJSOLKOHH-INIZCTEOSA-N	2	0	325.501	1.000	20	30		EDEDRP
C=CC[NH+](CC=C)[C@H](CNc1ccnc(N2CCOCC2)n1)C(C)C	ZINC000354074778	445888636	/nfs/dbraw/zinc/88/86/36/445888636.db2.gz	IGESEGGAOVRYER-QGZVFWFLSA-N	2	0	345.491	2.424	20	30		EDEDRP
CC[NH+](C)C[C@@H]1CCN(CC#CCN2CC[C@H](C[N@@H+](C)CC)C2)C1	ZINC000351416995	446062506	/nfs/dbraw/zinc/06/25/06/446062506.db2.gz	QFDRLDMIDMYNLW-BGYRXZFFSA-N	2	0	334.552	1.537	20	30		EDEDRP
C[C@H]1C[N@H+](C[C@@H](O)c2ccc(C#N)cc2)CCN1C1CC[NH+](C)CC1	ZINC000373529031	446248932	/nfs/dbraw/zinc/24/89/32/446248932.db2.gz	KRPSMUCVNBKZTQ-OXJNMPFZSA-N	2	0	342.487	1.692	20	30		EDEDRP
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NC[C@@H]1CCC[NH2+]C1	ZINC000418315836	446495889	/nfs/dbraw/zinc/49/58/89/446495889.db2.gz	KYCSQRYHYFWAST-GOSISDBHSA-N	2	0	343.475	1.631	20	30		EDEDRP
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CC[C@H](C[NH3+])C1	ZINC000418785111	446701176	/nfs/dbraw/zinc/70/11/76/446701176.db2.gz	HNHLCDBZISYRML-ROUUACIJSA-N	2	0	343.475	1.759	20	30		EDEDRP
C=CCN1CC[C@H]([N@@H+]2CCCN(C3CC[NH+](CC)CC3)CC2)C1=O	ZINC000420982097	446955754	/nfs/dbraw/zinc/95/57/54/446955754.db2.gz	OPXQMEVAJUXSPS-SFHVURJKSA-N	2	0	334.508	1.265	20	30		EDEDRP
CN(CCC#N)C[C@H](O)C[NH2+]CC1CC[NH+](Cc2ccccc2)CC1	ZINC000591241454	448297145	/nfs/dbraw/zinc/29/71/45/448297145.db2.gz	UNPCULCLAARWJX-HXUWFJFHSA-N	2	0	344.503	1.695	20	30		EDEDRP
N#Cc1ccc(S(=O)(=O)CC[NH2+]CC2CC[NH+](C3CC3)CC2)cc1	ZINC000572752713	448456975	/nfs/dbraw/zinc/45/69/75/448456975.db2.gz	DZLDJOQRWOSWHM-UHFFFAOYSA-N	2	0	347.484	1.796	20	30		EDEDRP
C[C@H](CNC(=O)[C@@H]([NH3+])CCCCC#N)[N@@H+]1CCc2ccccc2C1	ZINC000594437140	449516159	/nfs/dbraw/zinc/51/61/59/449516159.db2.gz	IPRRGBCQKOUHSL-QAPCUYQASA-N	2	0	328.460	1.961	20	30		EDEDRP
CC(C)C[N@@H+]1CC[C@@H](C[NH2+]C[C@H](O)COc2ccccc2C#N)C1	ZINC000600728874	449520416	/nfs/dbraw/zinc/52/04/16/449520416.db2.gz	CAIFXTGDQPXOSQ-WMZOPIPTSA-N	2	0	331.460	1.865	20	30		EDEDRP
C[NH+](C)CC1CC[NH+](C[C@H](O)COc2ccc(CC#N)cc2)CC1	ZINC000609046864	449957836	/nfs/dbraw/zinc/95/78/36/449957836.db2.gz	FVAQXYLLJITRJA-SFHVURJKSA-N	2	0	331.460	1.766	20	30		EDEDRP
CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1cccc(OCC[NH+](C)C)c1	ZINC000104163129	529075068	/nfs/dbraw/zinc/07/50/68/529075068.db2.gz	BKRAIESUOULWRZ-QGZVFWFLSA-N	3	0	347.507	1.516	20	30		EDEDRP
C[NH+]1CCC(CNC(=[NH2+])NC[C@@H]2CCCO2)(N2CCCCC2)CC1	ZINC000262661690	536335756	/nfs/dbraw/zinc/33/57/56/536335756.db2.gz	LVMLUPMZXRRSDD-INIZCTEOSA-N	2	0	337.512	1.020	20	30		EDEDRP
C=C(C[NH+](C)C)C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1	ZINC000764462270	580120819	/nfs/dbraw/zinc/12/08/19/580120819.db2.gz	KSNPGFYZHYJRBB-UHFFFAOYSA-N	2	0	332.404	1.212	20	30		EDEDRP
C=C(C)C[NH+]1CCC(NC(=O)N2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)CC1	ZINC000891519961	591104827	/nfs/dbraw/zinc/10/48/27/591104827.db2.gz	COQKCWXTRJIVLB-TZMCWYRMSA-N	2	0	348.413	1.806	20	30		EDEDRP
C=C(CC[NH+](C)C)C(=O)N1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1	ZINC000900464566	592026142	/nfs/dbraw/zinc/02/61/42/592026142.db2.gz	PQWPWCNONWYVRQ-ROUUACIJSA-N	2	0	336.524	1.511	20	30		EDEDRP
C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2CC(=O)N(C)C)c1cc(C#N)ccn1	ZINC000902987554	592094162	/nfs/dbraw/zinc/09/41/62/592094162.db2.gz	ODLAAINBIGAANA-LNRIEFBSSA-N	2	0	341.459	1.687	20	30		EDEDRP
COc1cc(CN2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)ccc1C#N	ZINC000903980592	592401394	/nfs/dbraw/zinc/40/13/94/592401394.db2.gz	VGODPFNMVSRFPQ-KDURUIRLSA-N	2	0	340.471	1.967	20	30		EDEDRP
N#C[C@@H]1C[NH2+]CC12CC(c1nc([C@H]3CN4CCCC[C@@H]4CO3)no1)C2	ZINC000904099160	592425044	/nfs/dbraw/zinc/42/50/44/592425044.db2.gz	LHNNJVRAYZWMAO-LIDHIPMTSA-N	2	0	343.431	1.602	20	30		EDEDRP
C#CCNC(=O)CC[NH2+]CCC1(O)CC[NH+](Cc2ccccc2)CC1	ZINC000905437763	592534265	/nfs/dbraw/zinc/53/42/65/592534265.db2.gz	HUWCBEXBIVYKNR-UHFFFAOYSA-N	2	0	343.471	1.133	20	30		EDEDRP
CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]C[C@H](O)CC3(C#N)CC3)C2)[C@H]1C(C)C	ZINC000905501901	592546340	/nfs/dbraw/zinc/54/63/40/592546340.db2.gz	IENXDIIFJUSBRY-VDCDIQELSA-N	2	0	335.492	1.501	20	30		EDEDRP
C=C(CC[NH+](C)C)C(=O)N1CCC(CCC[NH+]2CCOCC2)CC1	ZINC000907259047	592574220	/nfs/dbraw/zinc/57/42/20/592574220.db2.gz	UWXOHGOOFMHCFD-UHFFFAOYSA-N	2	0	337.508	1.845	20	30		EDEDRP
C[C@H](C(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N)[NH+]1CCC(Cc2ccccc2)CC1	ZINC000834489233	595140396	/nfs/dbraw/zinc/14/03/96/595140396.db2.gz	KYWYPVTZFMCGBI-AYOQOUSVSA-N	2	0	340.471	1.557	20	30		EDEDRP
C[NH+](C)CCOc1cccc(CNC(=O)C#CC2CC[NH2+]CC2)c1	ZINC000852858007	595580141	/nfs/dbraw/zinc/58/01/41/595580141.db2.gz	MLLAPBZLTGBEET-UHFFFAOYSA-N	2	0	329.444	1.246	20	30		EDEDRP
N#Cc1ccccc1N1CCC([NH2+][C@H](C2CC2)[C@@H]2CNCCO2)CC1	ZINC000873238686	597235737	/nfs/dbraw/zinc/23/57/37/597235737.db2.gz	FBFGWCNQACEFCV-VQTJNVASSA-N	2	0	340.471	1.884	20	30		EDEDRP
C[C@@H](C[C@H]1COCCN1)[NH2+]C1CCN(c2ccccc2C#N)CC1	ZINC000873239474	597236038	/nfs/dbraw/zinc/23/60/38/597236038.db2.gz	WZCOQMHBJCQALJ-YJBOKZPZSA-N	2	0	328.460	1.884	20	30		EDEDRP
C=C(Cl)C[C@H]([NH3+])C(=O)Nc1ccnn1C1CC[NH+](CC)CC1	ZINC000876712533	597299699	/nfs/dbraw/zinc/29/96/99/597299699.db2.gz	AGGDNXZHDJAYDA-ZDUSSCGKSA-N	2	0	325.844	1.948	20	30		EDEDRP
C=C(Cl)C[C@@H]([NH3+])C(=O)NCc1ccc(OCC[NH+](C)C)cc1	ZINC000876720055	597304393	/nfs/dbraw/zinc/30/43/93/597304393.db2.gz	ZRWCVCJORIXYAW-OAHLLOKOSA-N	2	0	325.840	1.713	20	30		EDEDRP
C=C(Cl)C[C@@H]([NH3+])C(=O)NCc1ccccc1OCC[NH+](C)C	ZINC000876739338	597315405	/nfs/dbraw/zinc/31/54/05/597315405.db2.gz	OSKAYFWILFCPJS-CQSZACIVSA-N	2	0	325.840	1.713	20	30		EDEDRP
C=C(Cl)C[C@@H]([NH3+])C(=O)Nc1ccc(CN2CC[NH+](C)CC2)cc1	ZINC000876781534	597338972	/nfs/dbraw/zinc/33/89/72/597338972.db2.gz	OIJRFCRRYXMGFG-MRXNPFEDSA-N	2	0	336.867	1.842	20	30		EDEDRP
C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@H]3[NH2+]CCc4cc(C#N)ccc43)CC[C@H]21	ZINC000876900549	597377394	/nfs/dbraw/zinc/37/73/94/597377394.db2.gz	KZGUFMSSQQPAKV-QRQLOZEOSA-N	2	0	338.455	1.688	20	30		EDEDRP
C=CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C(C)(C)C1	ZINC000940902165	700976841	/nfs/dbraw/zinc/97/68/41/700976841.db2.gz	YATMUXNUGYISKA-ZEVUXNIQSA-N	2	0	347.503	1.642	20	30		EDEDRP
C=C(C)CC[NH+]1CC(N2CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)CC2)C1	ZINC000941437402	701540494	/nfs/dbraw/zinc/54/04/94/701540494.db2.gz	ZYKLNKVYPBWCDO-GOSISDBHSA-N	2	0	334.508	1.121	20	30		EDEDRP
C[N@@H+]1CC[C@@H](C(=O)N2C[C@H]([NH2+]Cc3ccc(C#N)s3)C(C)(C)C2)C1	ZINC000996607557	702910790	/nfs/dbraw/zinc/91/07/90/702910790.db2.gz	CRNCPJHWUBAXJA-CJNGLKHVSA-N	2	0	346.500	1.898	20	30		EDEDRP
C[N@@H+]1CCCC[C@H]1C(=O)NC1CCC([NH+]2CCN(CC#N)CC2)CC1	ZINC000996781133	703071894	/nfs/dbraw/zinc/07/18/94/703071894.db2.gz	BEKGDONJPLJEGZ-ABHNRTSZSA-N	2	0	347.507	1.039	20	30		EDEDRP
C=CCN1CC[NH+](C2CCC(NC(=O)[C@H]3CCCC[N@H+]3C)CC2)CC1	ZINC000996782037	703076988	/nfs/dbraw/zinc/07/69/88/703076988.db2.gz	FTJKYGGHWGYDSI-CTWPCTMYSA-N	2	0	348.535	1.702	20	30		EDEDRP
C=C(C)C[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)CC1	ZINC000997227927	703503790	/nfs/dbraw/zinc/50/37/90/703503790.db2.gz	BHXVFVJEPPVVCO-LOPSVYGOSA-N	2	0	347.503	1.642	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)N2CCC([NH2+]Cc3ocnc3C)CC2)CC1	ZINC000997363364	703596684	/nfs/dbraw/zinc/59/66/84/703596684.db2.gz	DWFZTEPTHOPBDN-UHFFFAOYSA-N	2	0	344.459	1.409	20	30		EDEDRP
C#CC[NH+]1CCC([C@@H](C)NC(=O)C2CC[NH+](CC3CC3)CC2)CC1	ZINC000997387290	703656492	/nfs/dbraw/zinc/65/64/92/703656492.db2.gz	YGYHXIYKIPRWCE-MRXNPFEDSA-N	2	0	331.504	1.958	20	30		EDEDRP
C=C(Br)C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C)C1	ZINC000998724424	706155695	/nfs/dbraw/zinc/15/56/95/706155695.db2.gz	UCOCCWBMIZFZMG-CHWSQXEVSA-N	2	0	330.270	1.570	20	30		EDEDRP
C=C(Cl)C[NH2+]C1CC(N(C)C(=O)c2ccn(CC[NH+](C)C)n2)C1	ZINC000998784264	706224963	/nfs/dbraw/zinc/22/49/63/706224963.db2.gz	DIUZRABRYBDCAN-UHFFFAOYSA-N	2	0	339.871	1.390	20	30		EDEDRP
C[NH+](C)[C@@H](C(=O)N1CCC[C@@H]([NH2+]Cc2ccccc2C#N)C1)C1CC1	ZINC000999372158	706886369	/nfs/dbraw/zinc/88/63/69/706886369.db2.gz	OGTMFXVQRJJPDF-RTBURBONSA-N	2	0	340.471	1.979	20	30		EDEDRP
C[C@@H]1CC[N@H+](CC(=O)N(C)C2CC([NH2+]Cc3ccccc3C#N)C2)C1	ZINC000999410409	706920285	/nfs/dbraw/zinc/92/02/85/706920285.db2.gz	WZKUPQAHBJXDTL-VNCLNFNDSA-N	2	0	340.471	1.979	20	30		EDEDRP
CN(C(=O)C[NH+]1CCCC1)C1CC([NH2+]Cc2ccc(C#N)cc2F)C1	ZINC000999834107	707466773	/nfs/dbraw/zinc/46/67/73/707466773.db2.gz	RHTQPQLZNQJNLQ-UHFFFAOYSA-N	2	0	344.434	1.872	20	30		EDEDRP
CN(C(=O)[C@@H]1CC[N@H+](C)C1)C1CC([NH2+]Cc2ccccc2C#N)C1	ZINC000999835595	707469646	/nfs/dbraw/zinc/46/96/46/707469646.db2.gz	GUWYOHYEIOTKIS-WWDZGPRUSA-N	2	0	326.444	1.589	20	30		EDEDRP
CN(C(=O)[C@@H]1CC[N@H+](C)C1)C1CC([NH2+]Cc2cc(F)ccc2C#N)C1	ZINC000999837099	707473399	/nfs/dbraw/zinc/47/33/99/707473399.db2.gz	NWBHMWGNPVCJHJ-RWBZWWBESA-N	2	0	344.434	1.728	20	30		EDEDRP
C=C(C)C[N@H+]1CC[C@@H](N(CC)C(=O)c2cnn(CC[NH+](C)C)c2)C1	ZINC001033983516	709192679	/nfs/dbraw/zinc/19/26/79/709192679.db2.gz	SKHQWJFCBXFVNU-QGZVFWFLSA-N	2	0	333.480	1.557	20	30		EDEDRP
C#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)CC1	ZINC001004619001	712079839	/nfs/dbraw/zinc/07/98/39/712079839.db2.gz	ZDRBMPYCXLZRSH-HKUYNNGSSA-N	2	0	347.503	1.291	20	30		EDEDRP
C[NH+]=C(NCC1([NH+](C)C)CCCC1)N1CC[C@H](c2cnn(C)c2)C1	ZINC000262442948	249320627	/nfs/dbraw/zinc/32/06/27/249320627.db2.gz	ICKNTIFSHXJHLD-HNNXBMFYSA-N	2	0	332.496	1.659	20	30		EDEDRP
COc1ccc([C@@H](CNC(=O)[C@H]([NH3+])CCCC#N)[NH+]2CCCC2)cc1	ZINC000424127591	252134194	/nfs/dbraw/zinc/13/41/94/252134194.db2.gz	BDNXMMLWLQVIPW-QZTJIDSGSA-N	2	0	344.459	1.969	20	30		EDEDRP
C#C[C@H](C)N(C)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1	ZINC000491813103	255148942	/nfs/dbraw/zinc/14/89/42/255148942.db2.gz	PXYCVINTDFTHNH-INIZCTEOSA-N	2	0	329.448	1.257	20	30		EDEDRP
C[C@@H](O)C[NH+]1CCC(C[N@H+](C)CC(=O)Nc2cccc(C#N)c2)CC1	ZINC000264286488	139393650	/nfs/dbraw/zinc/39/36/50/139393650.db2.gz	KUPUKKXHNXMSFR-OAHLLOKOSA-N	2	0	344.459	1.521	20	30		EDEDRP
C[NH+]1CCN(C[C@@H]2CCC[N@H+](CCOc3ccc(C#N)cc3)C2)CC1	ZINC000378300210	158133102	/nfs/dbraw/zinc/13/31/02/158133102.db2.gz	VXPBAWUPQMNHMG-LJQANCHMSA-N	2	0	342.487	1.896	20	30		EDEDRP
CC[NH2+]CCNC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1	ZINC000418326239	269659108	/nfs/dbraw/zinc/65/91/08/269659108.db2.gz	NZSIUUOERFZVNO-UHFFFAOYSA-N	2	0	329.448	1.385	20	30		EDEDRP
C[C@H](NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1cccc(C#N)c1	ZINC000080587918	441181460	/nfs/dbraw/zinc/18/14/60/441181460.db2.gz	FCTXJZINJSEAAT-HNNXBMFYSA-N	2	0	331.464	1.754	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)N2CCN(c3cc(OC)cc[nH+]3)CC2)CC1	ZINC000104520356	441197087	/nfs/dbraw/zinc/19/70/87/441197087.db2.gz	QKEYFZOGUOMMBJ-UHFFFAOYSA-N	2	0	342.443	1.084	20	30		EDEDRP
C[NH+](C)CCCN(CCC#N)C(=O)Nc1cnn(CC[NH+](C)C)c1	ZINC000086301798	441461838	/nfs/dbraw/zinc/46/18/38/441461838.db2.gz	XZLSWXPNFUZRNT-UHFFFAOYSA-N	2	0	335.456	1.144	20	30		EDEDRP
C=CC[NH+]1CCC(NC(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)CC1	ZINC000176159058	442184326	/nfs/dbraw/zinc/18/43/26/442184326.db2.gz	UOBUFDKZKZIHFC-INIZCTEOSA-N	2	0	336.480	1.001	20	30		EDEDRP
C=C(C)C[NH+]1CCC(NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)CC1	ZINC000154783347	442356478	/nfs/dbraw/zinc/35/64/78/442356478.db2.gz	VJCOIXQQKINWOI-UHFFFAOYSA-N	3	0	339.528	1.162	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)CC1	ZINC000248890908	442934764	/nfs/dbraw/zinc/93/47/64/442934764.db2.gz	SQCYJCUSKLPILC-YLJYHZDGSA-N	2	0	339.483	1.968	20	30		EDEDRP
C[NH+]=C(NC[C@H](O)c1ccccc1OC)N1CC[C@H]([NH+]2CC=CC2)C1	ZINC000262812489	443213201	/nfs/dbraw/zinc/21/32/01/443213201.db2.gz	VPIMWQORSOEYRA-RDJZCZTQSA-N	2	0	344.459	1.250	20	30		EDEDRP
CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCCn1cnc2ccccc21	ZINC000264136333	443252684	/nfs/dbraw/zinc/25/26/84/443252684.db2.gz	VJDKXDHYLFEESI-HNNXBMFYSA-N	2	0	328.464	1.815	20	30		EDEDRP
CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](C)Oc1ccccc1OC	ZINC000267414320	443449194	/nfs/dbraw/zinc/44/91/94/443449194.db2.gz	IXSXIGUBEKQRNA-HUUCEWRRSA-N	2	0	334.464	1.851	20	30		EDEDRP
CC(C)[NH2+]C1CCN(C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)CC1	ZINC000331281547	444461664	/nfs/dbraw/zinc/46/16/64/444461664.db2.gz	UWCDCCLBJKIJOU-UHFFFAOYSA-N	2	0	339.528	1.389	20	30		EDEDRP
Cc1ccc(NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)nc1C#N	ZINC000344993360	445155845	/nfs/dbraw/zinc/15/58/45/445155845.db2.gz	WXKZQGKVFLVOPF-UHFFFAOYSA-N	2	0	336.443	2.281	20	30		EDEDRP
CN(CCC#N)C(=O)CC[N@H+](C)C[C@@H]1CCN(C)[C@H]1c1cccnc1	ZINC000372524950	447109849	/nfs/dbraw/zinc/10/98/49/447109849.db2.gz	WBCNFSAYQGFRMJ-HKUYNNGSSA-N	2	0	343.475	1.768	20	30		EDEDRP
C=CC[NH+](CC=C)[C@H](CNC(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1)C(C)C	ZINC000417067456	447733109	/nfs/dbraw/zinc/73/31/09/447733109.db2.gz	RQZPDUBRDZKUSD-KZNAEPCWSA-N	2	0	334.508	1.936	20	30		EDEDRP
N#Cc1cccc(C[NH+]2CCC(NC(=O)NCC3([NH3+])CCC3)CC2)c1	ZINC000593714175	449157509	/nfs/dbraw/zinc/15/75/09/449157509.db2.gz	OZDOTTQZROVPGL-UHFFFAOYSA-N	2	0	341.459	1.703	20	30		EDEDRP
Cc1cc(NCC2([NH+](C)C)CC2)c(C#N)c(NCC2([NH+](C)C)CC2)n1	ZINC000596274137	449451022	/nfs/dbraw/zinc/45/10/22/449451022.db2.gz	AIVOWEYTVWUWEI-UHFFFAOYSA-N	2	0	342.491	2.274	20	30		EDEDRP
C[C@@H]([NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)C1CC[NH+](C)CC1	ZINC000617098390	449459572	/nfs/dbraw/zinc/45/95/72/449459572.db2.gz	KFHUXPXKZFZWPU-BEFAXECRSA-N	2	0	340.471	1.979	20	30		EDEDRP
N#CCCCC[C@@H]([NH3+])C(=O)Nc1cccc(C[NH+]2CCC(O)CC2)c1	ZINC000594440514	449519059	/nfs/dbraw/zinc/51/90/59/449519059.db2.gz	DSXXZPLDSAHQKD-GOSISDBHSA-N	2	0	344.459	1.993	20	30		EDEDRP
C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCCc1ccc(C#N)cc1	ZINC000596670849	449598603	/nfs/dbraw/zinc/59/86/03/449598603.db2.gz	DLXPKZPEGAAGKS-UHFFFAOYSA-N	2	0	331.464	1.236	20	30		EDEDRP
C[NH+](C)CCNC(=O)C1CC[NH+](CCc2ccc(C#N)cc2)CC1	ZINC000595364939	450077458	/nfs/dbraw/zinc/07/74/58/450077458.db2.gz	KHYZMMKNNPGKPI-UHFFFAOYSA-N	2	0	328.460	1.491	20	30		EDEDRP
C=C1C[C@H]2CC[C@@H](C1)[NH+]2CC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1	ZINC000662079504	452825911	/nfs/dbraw/zinc/82/59/11/452825911.db2.gz	GVMVKGKOGSWDKU-KSZLIROESA-N	2	0	335.492	1.642	20	30		EDEDRP
C=CC[C@@]1(C(=O)N2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)CCC[NH2+]1	ZINC000662701320	453422295	/nfs/dbraw/zinc/42/22/95/453422295.db2.gz	OLXTVFGKMCRBRX-NSHGMRRFSA-N	2	0	348.535	1.702	20	30		EDEDRP
COc1ccc(C(C)=NNC2=[NH+]C[C@@H](C)N2)cc1C[NH+]1CCCC1	ZINC000779805866	580497980	/nfs/dbraw/zinc/49/79/80/580497980.db2.gz	URYNTQUMNMHJLK-CYBMUJFWSA-N	2	0	329.448	1.952	20	30		EDEDRP
C=CC[NH+]1CCC(NC(=O)CCCN2CC[NH+](C(C)C)CC2)CC1	ZINC000900599205	592064693	/nfs/dbraw/zinc/06/46/93/592064693.db2.gz	PJPQFNYWSZHCOF-UHFFFAOYSA-N	2	0	336.524	1.559	20	30		EDEDRP
C=C(CC[NH+](C)C)C(=O)N1CCN(c2ccc(C[NH+](C)C)cn2)CC1	ZINC000900713245	592102271	/nfs/dbraw/zinc/10/22/71/592102271.db2.gz	DAXCJLOTAOBYRH-UHFFFAOYSA-N	2	0	345.491	1.300	20	30		EDEDRP
N#Cc1cccc(C2([NH2+]C[C@@H]3C[C@@]4(CC[NH2+]C4)CO3)CCOCC2)c1	ZINC000903764988	592308967	/nfs/dbraw/zinc/30/89/67/592308967.db2.gz	CXPOMZVUCLURRB-RBUKOAKNSA-N	2	0	341.455	1.922	20	30		EDEDRP
N#Cc1ccc(N2CC[NH+](C[C@H]3C[C@]4(CC[NH2+]C4)CO3)CC2)cc1	ZINC000903777479	592318846	/nfs/dbraw/zinc/31/88/46/592318846.db2.gz	BPITVWFKWLWINP-MOPGFXCFSA-N	2	0	326.444	1.449	20	30		EDEDRP
C[NH+](C)CCCOc1ccc(NC(=O)N[C@@H]2C[NH2+]C[C@H]2C#N)cc1	ZINC000841111388	594852382	/nfs/dbraw/zinc/85/23/82/594852382.db2.gz	NTLPOEYUHXLKBI-CZUORRHYSA-N	2	0	331.420	1.250	20	30		EDEDRP
C=C(C[NH+](C)C)C(=O)N1CCO[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]21	ZINC000846444740	595234607	/nfs/dbraw/zinc/23/46/07/595234607.db2.gz	WLSGQSUNJHMTQH-OALUTQOASA-N	2	0	343.471	1.606	20	30		EDEDRP
O=C(C#CC1CC[NH2+]CC1)NC[C@H]1CCC[N@@H+]1Cc1ccccc1	ZINC000852868982	595588611	/nfs/dbraw/zinc/58/86/11/595588611.db2.gz	RNWOKNNVVJNCNX-LJQANCHMSA-N	2	0	325.456	1.770	20	30		EDEDRP
CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)C1	ZINC000876955960	597396027	/nfs/dbraw/zinc/39/60/27/597396027.db2.gz	CUQQDNVNTGHMFW-YJBOKZPZSA-N	2	0	340.471	1.982	20	30		EDEDRP
COc1cc(CN2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)ccc1C#N	ZINC000877671198	597546513	/nfs/dbraw/zinc/54/65/13/597546513.db2.gz	RYKHXCNVZBNHGI-QZTJIDSGSA-N	2	0	330.476	1.738	20	30		EDEDRP
C[NH+](Cc1cc(C#N)cc(C[N@@H+](C)CC(C)(C)O)c1)CC(C)(C)O	ZINC000878108920	597579165	/nfs/dbraw/zinc/57/91/65/597579165.db2.gz	OJWRZEOKMBLZAQ-UHFFFAOYSA-N	2	0	333.476	1.964	20	30		EDEDRP
C#CCOc1ccc([C@H](C)[NH2+]CCC[N@@H+]2CCC[C@H](C(N)=O)C2)cc1	ZINC000128029251	597730276	/nfs/dbraw/zinc/73/02/76/597730276.db2.gz	IKJYFECXKBTFQZ-WMZOPIPTSA-N	2	0	343.471	1.937	20	30		EDEDRP
C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N	ZINC000884196218	598023572	/nfs/dbraw/zinc/02/35/72/598023572.db2.gz	KVYBDYVNROPEJN-AGYKMIKPSA-N	2	0	340.471	1.415	20	30		EDEDRP
CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)CC1	ZINC000884345563	598076532	/nfs/dbraw/zinc/07/65/32/598076532.db2.gz	IWMIDYWJVIIZTJ-YJTLQXIOSA-N	2	0	330.476	1.362	20	30		EDEDRP
C#CCN(C(=O)NC1CC[NH+](CCCC)CC1)C1CC[NH+](C)CC1	ZINC000915711561	695976168	/nfs/dbraw/zinc/97/61/68/695976168.db2.gz	DZNIOAZAJYXHCS-UHFFFAOYSA-N	2	0	334.508	1.990	20	30		EDEDRP
C=C(C)C[NH+]1CCC(NC(=O)NCc2cc(N(C)C)cc[nH+]2)CC1	ZINC000917092185	696922137	/nfs/dbraw/zinc/92/21/37/696922137.db2.gz	KGAYRPWKNFQUNA-UHFFFAOYSA-N	2	0	331.464	1.987	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)N2C[C@H]([NH2+]Cc3cncs3)[C@@H](C)C2)CC1	ZINC000939812234	699960090	/nfs/dbraw/zinc/96/00/90/699960090.db2.gz	VOIBAVUPEAFCMF-YOEHRIQHSA-N	2	0	346.500	1.425	20	30		EDEDRP
C=C(C)CC[NH+]1CC(CNC(=O)[C@@H]2COCCN2CC2CCC2)C1	ZINC001031875869	700389057	/nfs/dbraw/zinc/38/90/57/700389057.db2.gz	DIJLGKJKSFMTFO-SFHVURJKSA-N	2	0	335.492	1.502	20	30		EDEDRP
C=C(C)C[N@H+]1CC[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C(C)(C)C1	ZINC000940751636	700889704	/nfs/dbraw/zinc/88/97/04/700889704.db2.gz	SAEDCQWPPRCANF-KRWDZBQOSA-N	2	0	347.507	1.851	20	30		EDEDRP
C=CC[N@H+]1CC[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C(C)(C)C1	ZINC000941091566	701135328	/nfs/dbraw/zinc/13/53/28/701135328.db2.gz	WSISUEYMDSAXRP-MRXNPFEDSA-N	2	0	333.480	1.461	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)N2CCC3(C2)CC[NH+](CCOC)CC3)CC1	ZINC001040948397	702613053	/nfs/dbraw/zinc/61/30/53/702613053.db2.gz	QCEXYFTVYHUWNO-UHFFFAOYSA-N	2	0	347.503	1.293	20	30		EDEDRP
C[N@@H+]1CC[C@@H](C(=O)N2CCC([NH2+]Cc3cc(F)ccc3C#N)CC2)C1	ZINC000997298406	703556359	/nfs/dbraw/zinc/55/63/59/703556359.db2.gz	IZSBGXKNLFLMRR-OAHLLOKOSA-N	2	0	344.434	1.730	20	30		EDEDRP
C=C(Cl)C[NH2+]C1CCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)CC1	ZINC000997308822	703566676	/nfs/dbraw/zinc/56/66/76/703566676.db2.gz	HXCOORKHACOTMW-ZDUSSCGKSA-N	2	0	329.872	1.288	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)N2CCC([NH2+]CC[C@@H]3CCCO3)CC2)CC1	ZINC000997364272	703597821	/nfs/dbraw/zinc/59/78/21/703597821.db2.gz	JVRMYSXSJZEOET-IBGZPJMESA-N	2	0	347.503	1.481	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)N[C@H](C)C2CC[NH+](CCCF)CC2)CC1	ZINC000997435730	703665308	/nfs/dbraw/zinc/66/53/08/703665308.db2.gz	ZXRBNTXQJSLSGW-MRXNPFEDSA-N	2	0	337.483	1.908	20	30		EDEDRP
C[NH+]=C(NC[C@H](C)[N@@H+]1CCCC[C@H]1C)N1CCC(C(=O)OC)CC1	ZINC000073631382	706816217	/nfs/dbraw/zinc/81/62/17/706816217.db2.gz	SLGLOVVJHSWTCZ-CABCVRRESA-N	2	0	338.496	1.710	20	30		EDEDRP
C#CC[N@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)CC1	ZINC000998064739	705274760	/nfs/dbraw/zinc/27/47/60/705274760.db2.gz	AZTYFJUSISXZCX-NNVNDSJASA-N	2	0	345.487	1.186	20	30		EDEDRP
C=C(Br)C[NH2+]C1CC(N(C)C(=O)C[C@@H]2CC[N@H+](C)C2)C1	ZINC000999682699	707168355	/nfs/dbraw/zinc/16/83/55/707168355.db2.gz	SPMGDMMBQBKQBJ-HSBZDZAISA-N	2	0	344.297	1.816	20	30		EDEDRP
CC#CC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H](C)C[NH+]3CCOCC3)C2)C1	ZINC001040531008	708065994	/nfs/dbraw/zinc/06/59/94/708065994.db2.gz	NCBWKWNJZMAGFR-UYAOXDASSA-N	2	0	347.503	1.293	20	30		EDEDRP
C=CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CN1CCc2sccc2C1	ZINC001032798182	708075288	/nfs/dbraw/zinc/07/52/88/708075288.db2.gz	UJNPJUNDBZKHKU-HOTGVXAUSA-N	2	0	331.485	1.967	20	30		EDEDRP
CN(C(=O)C[NH+]1CCCC1)[C@@H]1CC[N@H+](Cc2cccc(C#N)c2)C1	ZINC001033666823	708452896	/nfs/dbraw/zinc/45/28/96/708452896.db2.gz	ZWWZHBVNBDGQLA-GOSISDBHSA-N	2	0	326.444	1.687	20	30		EDEDRP
CCN(C(=O)[C@H]1CC[NH+](C)C1)[C@H]1CC[N@H+](Cc2ccc(C#N)cc2)C1	ZINC001034043554	709294606	/nfs/dbraw/zinc/29/46/06/709294606.db2.gz	WJPXJNRKAOJJOJ-OALUTQOASA-N	2	0	340.471	1.933	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCC[N@@H+](C[C@H](CC)OC)C2)CC1	ZINC001034538553	710211276	/nfs/dbraw/zinc/21/12/76/710211276.db2.gz	PIVUHGHCEJRDKW-MOPGFXCFSA-N	2	0	349.519	1.727	20	30		EDEDRP
C=CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)CC1	ZINC001034660225	710590293	/nfs/dbraw/zinc/59/02/93/710590293.db2.gz	XJAAIVDUAAVFQH-BQFCYCMXSA-N	2	0	335.492	1.833	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)N2CCC([C@H]3CCC[N@H+]3CCO)CC2)CC1	ZINC001004622168	712068737	/nfs/dbraw/zinc/06/87/37/712068737.db2.gz	WPQIQLBZJSWOSW-LJQANCHMSA-N	2	0	347.503	1.027	20	30		EDEDRP
C#CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CC[C@@H]4CCCC[N@H+]34)CC[C@@H]2C1	ZINC000946642723	712128595	/nfs/dbraw/zinc/12/85/95/712128595.db2.gz	QSHKAPNOCGKKCG-ZSYWTGECSA-N	2	0	329.488	1.807	20	30		EDEDRP
C#CC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[C@H]4CCCC[N@@H+]43)CC[C@@H]2C1	ZINC000946642721	712128671	/nfs/dbraw/zinc/12/86/71/712128671.db2.gz	QSHKAPNOCGKKCG-HCXYKTFWSA-N	2	0	329.488	1.807	20	30		EDEDRP
C=CCNC(=O)NC(=O)C[NH+]1CCC2(C[C@@H]2C[N@@H+](C)C2CC2)CC1	ZINC000374319318	250259724	/nfs/dbraw/zinc/25/97/24/250259724.db2.gz	XKFKWWIHXKDINE-CQSZACIVSA-N	2	0	334.464	1.195	20	30		EDEDRP
C[C@@H]([NH3+])[C@H](C)NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1	ZINC000418703046	251388587	/nfs/dbraw/zinc/38/85/87/251388587.db2.gz	QMSXJEFHVDTLFD-CABCVRRESA-N	2	0	329.448	1.511	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)N2CCC(OCC[NH+]3CCCC3)CC2)CC1	ZINC000490697828	255100699	/nfs/dbraw/zinc/10/06/99/255100699.db2.gz	LRWCTNAFYVGXBE-UHFFFAOYSA-N	2	0	347.503	1.435	20	30		EDEDRP
N#Cc1cccc(OCC[NH+]2CCC(C[NH+]3CCOCC3)CC2)c1	ZINC000051960182	441429825	/nfs/dbraw/zinc/42/98/25/441429825.db2.gz	WTMXLYSOUZHQMZ-UHFFFAOYSA-N	2	0	329.444	1.981	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)N2CCC([N@H+]3CCO[C@H](C)C3)CC2)CC1	ZINC000068095304	441727784	/nfs/dbraw/zinc/72/77/84/441727784.db2.gz	WPYQIDMTYLXNRO-MRXNPFEDSA-N	2	0	333.476	1.043	20	30		EDEDRP
CCO[C@@H]1C[C@H](NC(=[NH2+])NC[C@H]2CCC[N@@H+]2CC)C12CCOCC2	ZINC000248629324	442909830	/nfs/dbraw/zinc/90/98/30/442909830.db2.gz	GGYXIJVCZGPNGK-OWCLPIDISA-N	2	0	338.496	1.349	20	30		EDEDRP
CC(C)[C@@H](CNC(=[NH2+])N1CCN(c2ncccn2)CC1)[NH+]1CCCC1	ZINC000264063579	443247361	/nfs/dbraw/zinc/24/73/61/443247361.db2.gz	DLFAEGPTWBPKPN-MRXNPFEDSA-N	2	0	345.495	1.034	20	30		EDEDRP
C=C(C)CNC(=[NH2+])NCc1ccc(N2CC[NH+](CC)CC2)c(F)c1	ZINC000267407402	443446455	/nfs/dbraw/zinc/44/64/55/443446455.db2.gz	HMKXMTZYSNAJJF-UHFFFAOYSA-N	2	0	333.455	1.948	20	30		EDEDRP
CCCCNC(=[NH2+])NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1	ZINC000267453866	443462912	/nfs/dbraw/zinc/46/29/12/443462912.db2.gz	SHMGYHDDVDVGBH-QGZVFWFLSA-N	2	0	345.491	1.588	20	30		EDEDRP
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NC[C@H]1CCC[N@@H+]1C	ZINC000299256282	443997329	/nfs/dbraw/zinc/99/73/29/443997329.db2.gz	RNSNOOVYHQWMEX-GOSISDBHSA-N	2	0	343.475	1.726	20	30		EDEDRP
CC[NH+]1CCC(NC(=O)C[NH2+]C2(c3cccc(C#N)c3)CC2)CC1	ZINC000574903368	321506987	/nfs/dbraw/zinc/50/69/87/321506987.db2.gz	FAJBEYPVJQDCPP-UHFFFAOYSA-N	2	0	326.444	1.737	20	30		EDEDRP
C[NH+](C)[C@H](CNC(=[NH2+])N1CCN(C(=O)OC(C)(C)C)CC1)C1CC1	ZINC000303890822	444237645	/nfs/dbraw/zinc/23/76/45/444237645.db2.gz	QEWQIOIXOZBEBE-CQSZACIVSA-N	2	0	339.484	1.194	20	30		EDEDRP
Cn1cncc1[C@@H]1C[C@H](NC(=O)N[C@H]2CC[N@@H+](C3CC3)C2)CCO1	ZINC000330331815	444940186	/nfs/dbraw/zinc/94/01/86/444940186.db2.gz	OJGZVRNTNICBML-WWGRRREGSA-N	2	0	333.436	1.381	20	30		EDEDRP
C(#CCN1CC[NH+]2CCCC[C@H]2C1)CN1CC[N@@H+]2CCCC[C@@H]2C1	ZINC000341902597	445063151	/nfs/dbraw/zinc/06/31/51/445063151.db2.gz	AAJBSZOAAWBIMX-BGYRXZFFSA-N	2	0	330.520	1.330	20	30		EDEDRP
CC#CCN(C)[C@H](C)C(=O)NCc1ccc(CN2CCOCC2)cc1	ZINC000339750533	445166447	/nfs/dbraw/zinc/16/64/47/445166447.db2.gz	DCGNNQRKFCOYRC-QGZVFWFLSA-N	2	0	343.471	1.479	20	30		EDEDRP
C[NH+](C)CCCC1CC[NH+](CC(=O)N(CCC#N)CCC#N)CC1	ZINC000347567466	445242507	/nfs/dbraw/zinc/24/25/07/445242507.db2.gz	NBPVVVHZVUYESI-UHFFFAOYSA-N	2	0	333.480	1.696	20	30		EDEDRP
C#CC[N@H+](C)CCCNC(=O)[C@H]1CCC[NH+](Cc2cccnc2)C1	ZINC000491268495	447977229	/nfs/dbraw/zinc/97/72/29/447977229.db2.gz	ZXGZWUHKXWTGGE-SFHVURJKSA-N	2	0	328.460	1.365	20	30		EDEDRP
C[NH+](C)[C@@H]1CCC[C@H]([NH2+]C[C@H](O)COc2ccc(CC#N)cc2)C1	ZINC000576816552	448146700	/nfs/dbraw/zinc/14/67/00/448146700.db2.gz	XJNBIJLYLISMLT-KSZLIROESA-N	2	0	331.460	1.955	20	30		EDEDRP
C[C@@H]1C[NH+](CC2CC[NH+](C[C@@H](O)CC3(C#N)CC3)CC2)C[C@@H](C)O1	ZINC000528369787	448501228	/nfs/dbraw/zinc/50/12/28/448501228.db2.gz	VNDZNDCMGCSNIZ-NUJGCVRESA-N	2	0	335.492	1.862	20	30		EDEDRP
CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)[C@H]([NH3+])CCCCC#N)C2)CC1	ZINC000594439936	449517892	/nfs/dbraw/zinc/51/78/92/449517892.db2.gz	WNHYJCYTOYFNHW-IAGOWNOFSA-N	2	0	335.496	1.025	20	30		EDEDRP
CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc(Cn2cccn2)cc1	ZINC000264069155	535597497	/nfs/dbraw/zinc/59/74/97/535597497.db2.gz	CQVZYZDNJHFCBT-SFHVURJKSA-N	2	0	340.475	1.820	20	30		EDEDRP
C=C(C[NH+](C)C)C(=O)NCCC[NH+]1CCN(c2cccc(C)c2)CC1	ZINC000764229856	580116243	/nfs/dbraw/zinc/11/62/43/580116243.db2.gz	ZRCQSBFCSFNWBU-UHFFFAOYSA-N	2	0	344.503	1.741	20	30		EDEDRP
C=C(C[NH+](C)C)C(=O)NCCC[NH+]1CCN(c2ccccc2)CC1	ZINC000764240455	580116395	/nfs/dbraw/zinc/11/63/95/580116395.db2.gz	PZUCHYUKBIWJLH-UHFFFAOYSA-N	2	0	330.476	1.433	20	30		EDEDRP
C[NH+]1CC[C@@H]1CNc1cc(NC[C@@H]2CC[N@H+]2C)cc(C#N)c1[N+](=O)[O-]	ZINC000895771664	591270078	/nfs/dbraw/zinc/27/00/78/591270078.db2.gz	OFQNPPYSQBICGR-LSDHHAIUSA-N	2	0	344.419	1.698	20	30		EDEDRP
C=C(CC[NH+](C)C)C(=O)N1CC[C@H](C[N@H+](C)Cc2cccnc2)C1	ZINC000907570645	592715402	/nfs/dbraw/zinc/71/54/02/592715402.db2.gz	LAZHLKJLSMXDIZ-GOSISDBHSA-N	2	0	330.476	1.870	20	30		EDEDRP
CN1CCC[NH+]=C1NCCCC[NH+]1CCN(Cc2ccccc2)CC1	ZINC000849110759	595483652	/nfs/dbraw/zinc/48/36/52/595483652.db2.gz	ADGXIWCHDGRSAJ-UHFFFAOYSA-N	2	0	343.519	1.866	20	30		EDEDRP
C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)C#CC2CC[NH2+]CC2)CC1	ZINC000852863671	595584211	/nfs/dbraw/zinc/58/42/11/595584211.db2.gz	QPRXICOMXDGBQN-ROUUACIJSA-N	2	0	346.519	1.006	20	30		EDEDRP
O=C(C#CC1CC[NH2+]CC1)N1CC[NH2+]C[C@H]1c1cccc(Cl)c1	ZINC000852878533	595594871	/nfs/dbraw/zinc/59/48/71/595594871.db2.gz	PTQXKQVPCOTCIY-KRWDZBQOSA-N	2	0	331.847	1.816	20	30		EDEDRP
O=C(C#CC1CC[NH2+]CC1)N1CCC(CCC[NH+]2CCOCC2)CC1	ZINC000852886754	595598288	/nfs/dbraw/zinc/59/82/88/595598288.db2.gz	VLPIFIXMAPBPKE-UHFFFAOYSA-N	2	0	347.503	1.340	20	30		EDEDRP
N#Cc1ccc(CN2CCCN(C(=O)[C@@H](O)c3cnc[nH]3)CC2)cc1	ZINC000864659137	596299802	/nfs/dbraw/zinc/29/98/02/596299802.db2.gz	CMCLGTJHURYOTL-KRWDZBQOSA-N	2	0	339.399	1.049	20	30		EDEDRP
C#CC[N@H+](C)CCCNCc1ccc(Cl)c(S(N)(=O)=O)c1	ZINC000883131016	597660897	/nfs/dbraw/zinc/66/08/97/597660897.db2.gz	BFFKNAQNDLZVDP-UHFFFAOYSA-N	2	0	329.853	1.032	20	30		EDEDRP
C[NH+](C)C[C@@H]1CN(C(=O)Nc2ccc(F)cc2C#N)C[C@H]1C[NH+](C)C	ZINC000878889844	597747690	/nfs/dbraw/zinc/74/76/90/597747690.db2.gz	KOHCLZRFCWQYKE-HUUCEWRRSA-N	2	0	347.438	1.900	20	30		EDEDRP
C[NH+](C)Cc1ccc(NC(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)cc1F	ZINC000884229167	598037473	/nfs/dbraw/zinc/03/74/73/598037473.db2.gz	KDTGIZKURIBPDX-TXKKKEFDSA-N	2	0	330.407	1.965	20	30		EDEDRP
CC#CCN1CC(N2CCN(C(=O)[C@H]3CCCC[N@@H+]3C(C)C)CC2)C1	ZINC000941594925	701587080	/nfs/dbraw/zinc/58/70/80/701587080.db2.gz	CZAPUSVXGXQBRD-LJQANCHMSA-N	2	0	346.519	1.101	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@@H]([NH2+]Cc3ocnc3C)C2)CC1	ZINC000939807866	699956818	/nfs/dbraw/zinc/95/68/18/699956818.db2.gz	AQBYIRDVDIULDD-PBHICJAKSA-N	2	0	344.459	1.265	20	30		EDEDRP
C=CCN1CC[NH+](C2CCC(NC(=O)C3CC[NH+](C)CC3)CC2)CC1	ZINC000996788802	703081615	/nfs/dbraw/zinc/08/16/15/703081615.db2.gz	LNSPHNNQLOXEHN-UHFFFAOYSA-N	2	0	348.535	1.559	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)N2CCC([NH2+]CC[C@@H]3CCOC3)CC2)CC1	ZINC000997363407	703597165	/nfs/dbraw/zinc/59/71/65/703597165.db2.gz	FLKKGYRPFGLIOX-QGZVFWFLSA-N	2	0	347.503	1.339	20	30		EDEDRP
C[C@H]1C[N@H+](Cc2ccc(C#N)cc2)CC[C@H]1NC(=O)C[NH+]1CCCC1	ZINC000944942782	704795186	/nfs/dbraw/zinc/79/51/86/704795186.db2.gz	DAQAUNVYBKKZMN-QFBILLFUSA-N	2	0	340.471	1.981	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)N(C)C2CC([NH2+]CC[C@@H]3CCCO3)C2)CC1	ZINC000999871079	707514426	/nfs/dbraw/zinc/51/44/26/707514426.db2.gz	TYOIDMWNBNSLHP-ACBHZAAOSA-N	2	0	347.503	1.480	20	30		EDEDRP
CN(C(=O)C[C@H]1CC[NH+](C)C1)[C@H]1CC[N@H+](Cc2cccc(C#N)c2)C1	ZINC001033580647	708261691	/nfs/dbraw/zinc/26/16/91/708261691.db2.gz	GHVCKHPAWZTGTO-MOPGFXCFSA-N	2	0	340.471	1.933	20	30		EDEDRP
C=C(C)CC[NH+]1CCC(CNC(=O)c2cnn(CC[NH+](C)C)c2)CC1	ZINC001001926504	708433648	/nfs/dbraw/zinc/43/36/48/708433648.db2.gz	XZGGIDBFZPUUAC-UHFFFAOYSA-N	2	0	347.507	1.853	20	30		EDEDRP
CN(C(=O)[C@@H]1CC[NH+](C)C1)[C@H]1CC[N@H+](Cc2cccc(C#N)c2)C1	ZINC001033661577	708474694	/nfs/dbraw/zinc/47/46/94/708474694.db2.gz	LSKTWGUUDXMUQV-MSOLQXFVSA-N	2	0	326.444	1.543	20	30		EDEDRP
C#CCC[N@H+]1CC[C@H](N(C)C(=O)CN2CCc3sccc3C2)C1	ZINC001033685200	708498947	/nfs/dbraw/zinc/49/89/47/708498947.db2.gz	PBKMAINUKURSBC-INIZCTEOSA-N	2	0	331.485	1.662	20	30		EDEDRP
C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)CC1	ZINC001003008463	709791849	/nfs/dbraw/zinc/79/18/49/709791849.db2.gz	OHMKDRYMWJFQMG-SFHVURJKSA-N	2	0	335.492	1.787	20	30		EDEDRP
C=C(Br)C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)CC1	ZINC001034792073	711118517	/nfs/dbraw/zinc/11/85/17/711118517.db2.gz	DJNDTVMZLMISJV-IHRRRGAJSA-N	2	0	344.297	1.864	20	30		EDEDRP
C[NH+](C)CCOC1CC[NH+](Cc2cnc3ccc(C#N)cn23)CC1	ZINC000353534087	282107033	/nfs/dbraw/zinc/10/70/33/282107033.db2.gz	SKZVTFRTFUUAFP-UHFFFAOYSA-N	2	0	327.432	1.749	20	30		EDEDRP
CO[C@H]1C[C@@H](C(=O)Nc2cccc(CN3CCOCC3)c2)N(C)C1	ZINC000328951004	539379454	/nfs/dbraw/zinc/37/94/54/539379454.db2.gz	NLVHADPXOMVRRD-IRXDYDNUSA-N	2	0	333.432	1.826	20	30		EDEDRP
CN(C)CC[NH+]1CCC(C[NH2+]Cc2cnc3ccc(C#N)cn23)CC1	ZINC000123635289	138320171	/nfs/dbraw/zinc/32/01/71/138320171.db2.gz	GMCZLRZKOAHUTL-UHFFFAOYSA-N	2	0	340.475	1.569	20	30		EDEDRP
CCN1CC[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H](O)COc1ccc(C#N)cc1	ZINC000246350105	139104950	/nfs/dbraw/zinc/10/49/50/139104950.db2.gz	FXCKXXKPFOKTKA-FGTMMUONSA-N	2	0	329.444	1.857	20	30		EDEDRP
CC(C)[NH2+]C1CCN(CC#CCN2CCC([NH2+]C(C)C)CC2)CC1	ZINC000341876863	250002919	/nfs/dbraw/zinc/00/29/19/250002919.db2.gz	PMQDDIAOTZYNDW-UHFFFAOYSA-N	2	0	334.552	1.915	20	30		EDEDRP
C=C[C@@](C)(O)CC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1	ZINC000353773172	250083879	/nfs/dbraw/zinc/08/38/79/250083879.db2.gz	NQNIVCRVMGAXNJ-GOSISDBHSA-N	2	0	332.448	1.037	20	30		EDEDRP
C=CC[NH+](CC=C)[C@H](CNC(=O)NC[C@]1(O)CC[N@H+](C)C1)C(C)C	ZINC000358664081	250141049	/nfs/dbraw/zinc/14/10/49/250141049.db2.gz	PEYAGTNRWUIWAG-SJLPKXTDSA-N	2	0	338.496	1.051	20	30		EDEDRP
C#CCN1CCN(C(=O)C[NH2+]C2(c3ccc(OC)cc3)CC2)CC1	ZINC000490922273	255109207	/nfs/dbraw/zinc/10/92/07/255109207.db2.gz	CQDGDWSRGVUJCL-UHFFFAOYSA-N	2	0	327.428	1.051	20	30		EDEDRP
C[NH+]=C(NCCNc1cc[nH+]cc1)N1CC[C@H](c2cnn(C)c2)C1	ZINC000262442852	533478689	/nfs/dbraw/zinc/47/86/89/533478689.db2.gz	HZYLPSJKRLIZBZ-AWEZNQCLSA-N	2	0	327.436	1.292	20	30		EDEDRP
COc1ccc(CNC(=[NH2+])NCC[N@@H+]2CCC[C@H](C)C2)cc1OC	ZINC000104168283	533551159	/nfs/dbraw/zinc/55/11/59/533551159.db2.gz	SHRZBRDDPHTVHJ-AWEZNQCLSA-N	2	0	334.464	1.840	20	30		EDEDRP
COc1cc(C#N)ccc1CN1CCC(O)(C[NH+]2CCOCC2)CC1	ZINC000367888012	154313244	/nfs/dbraw/zinc/31/32/44/154313244.db2.gz	XDLAGPIZCTYLKR-UHFFFAOYSA-N	2	0	345.443	1.226	20	30		EDEDRP
C[C@H](Oc1ccc(C#N)cc1)C(=O)N(CC[NH+](C)C)CC[NH+](C)C	ZINC000103211085	272918797	/nfs/dbraw/zinc/91/87/97/272918797.db2.gz	QISXVTJLGCLJEO-HNNXBMFYSA-N	2	0	332.448	1.277	20	30		EDEDRP
C=CC[NH+](CC=C)[C@@H](CNC(=O)c1cc([C@H]2CC[NH2+]C2)n[nH]1)C(C)C	ZINC000279065772	277849761	/nfs/dbraw/zinc/84/97/61/277849761.db2.gz	SVJYMARQBJCGBU-YJBOKZPZSA-N	2	0	345.491	1.915	20	30		EDEDRP
C[C@@H](NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1cccc(C#N)c1	ZINC000080587921	441181447	/nfs/dbraw/zinc/18/14/47/441181447.db2.gz	FCTXJZINJSEAAT-OAHLLOKOSA-N	2	0	331.464	1.754	20	30		EDEDRP
C[NH+]=C(NCCc1c[nH]c2cc(F)ccc12)NC[C@H]1CC[N@H+](C)C1	ZINC000080639139	441186455	/nfs/dbraw/zinc/18/64/55/441186455.db2.gz	XBEOHRUGCDPYAX-CYBMUJFWSA-N	2	0	331.439	1.966	20	30		EDEDRP
C[NH+]=C(NC[C@H]1C[N@H+](C)CCN1C)N(C)Cc1ccc(Cl)cc1	ZINC000088751385	441519105	/nfs/dbraw/zinc/51/91/05/441519105.db2.gz	ZLNWYKJMEWGUAX-INIZCTEOSA-N	2	0	337.899	1.593	20	30		EDEDRP
C[NH+]=C(NCc1ccc(C(N)=O)o1)NC1CC[NH+](C2CCCC2)CC1	ZINC000128476843	442269045	/nfs/dbraw/zinc/26/90/45/442269045.db2.gz	VPLCYQHPFYEYGO-UHFFFAOYSA-N	2	0	347.463	1.451	20	30		EDEDRP
C#CCOc1ccccc1CNC(=[NH+]C)N1CC[C@H]([NH+]2CC=CC2)C1	ZINC000262809215	443212942	/nfs/dbraw/zinc/21/29/42/443212942.db2.gz	TVBRTARMADYYNK-SFHVURJKSA-N	2	0	338.455	1.720	20	30		EDEDRP
CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H](c1cccc(F)c1)N(C)C	ZINC000264137716	443253013	/nfs/dbraw/zinc/25/30/13/443253013.db2.gz	VTCWJVMKIZQWRM-DLBZAZTESA-N	2	0	335.471	1.817	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)N2CC([N@H+](C)Cc3ccccc3)C2)CC1	ZINC000288289391	443833143	/nfs/dbraw/zinc/83/31/43/443833143.db2.gz	HNWNMVCVPGXEMC-UHFFFAOYSA-N	2	0	325.456	1.674	20	30		EDEDRP
CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H]1CC(=O)Nc2ccccc21	ZINC000304807937	444253276	/nfs/dbraw/zinc/25/32/76/444253276.db2.gz	UEWRBOJYYAVKGR-KBPBESRZSA-N	2	0	329.448	1.501	20	30		EDEDRP
CCOC(=O)N1CCC(NC(=[NH2+])NCCC2CC[NH+](C)CC2)CC1	ZINC000303880034	444237803	/nfs/dbraw/zinc/23/78/03/444237803.db2.gz	JYUNVWWMGACMMO-UHFFFAOYSA-N	2	0	339.484	1.244	20	30		EDEDRP
C[NH+]1CCC(CNC(=[NH2+])N2CCN(C(=O)OC(C)(C)C)CC2)CC1	ZINC000303893927	444237880	/nfs/dbraw/zinc/23/78/80/444237880.db2.gz	SFZGZJKVVZGFSH-UHFFFAOYSA-N	2	0	339.484	1.196	20	30		EDEDRP
C[C@@H](C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1)[NH+]1CC(C)C1	ZINC000581675468	322208376	/nfs/dbraw/zinc/20/83/76/322208376.db2.gz	TZQQAAOVDLMZDE-INIZCTEOSA-N	2	0	328.460	1.789	20	30		EDEDRP
CC[C@@]1(CO)CCC[N@H+](CC#CC[NH+]2CCC[C@](CC)(CO)C2)C1	ZINC000342150652	444535826	/nfs/dbraw/zinc/53/58/26/444535826.db2.gz	AVSMKLFSTLUBGJ-BGYRXZFFSA-N	2	0	336.520	1.959	20	30		EDEDRP
COCC[N@@H+]1CC[C@@H](NC(=O)NC2CC[NH+](C(C)(C)C)CC2)C1	ZINC000330849379	445165243	/nfs/dbraw/zinc/16/52/43/445165243.db2.gz	PYDGTIXKFHVEBI-OAHLLOKOSA-N	2	0	326.485	1.474	20	30		EDEDRP
C=CC[NH+]1CCC(NC(=O)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)CC1	ZINC000361019607	445745213	/nfs/dbraw/zinc/74/52/13/445745213.db2.gz	VGNNRGDSWOTRJE-QGZVFWFLSA-N	2	0	349.523	1.105	20	30		EDEDRP
CC[NH+](C)C[C@H]1CCN(CC#CCN2CC[C@H](C[N@@H+](C)CC)C2)C1	ZINC000351417022	446062723	/nfs/dbraw/zinc/06/27/23/446062723.db2.gz	QFDRLDMIDMYNLW-WOJBJXKFSA-N	2	0	334.552	1.537	20	30		EDEDRP
C[NH+]1CC[C@@H]2CCN(CC#CCN3CC[C@@H]4CC[N@@H+](C)[C@H]4C3)C[C@@H]21	ZINC000367458762	446547549	/nfs/dbraw/zinc/54/75/49/446547549.db2.gz	OCPCYKNIJUAQPQ-YRPNKDGESA-N	2	0	330.520	1.042	20	30		EDEDRP
C(#CC[N@@H+]1CC[C@]2(C1)CCCOC2)C[NH+]1CC[C@@]2(C1)CCCOC2	ZINC000375290817	446697718	/nfs/dbraw/zinc/69/77/18/446697718.db2.gz	CRSCQCXXDGSZJI-BGYRXZFFSA-N	2	0	332.488	1.995	20	30		EDEDRP
C=C(C)CCNC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1	ZINC000454441345	446875359	/nfs/dbraw/zinc/87/53/59/446875359.db2.gz	ZKRZBQWKJGYVJK-UHFFFAOYSA-N	2	0	331.464	1.859	20	30		EDEDRP
Cc1cc[nH+]c(NC[C@H]2CC[N@@H+]([C@@H](C)C(=O)N(C)CCC#N)C2)c1	ZINC000377492870	447163185	/nfs/dbraw/zinc/16/31/85/447163185.db2.gz	XLUWKQOUIFZJFX-JKSUJKDBSA-N	2	0	329.448	1.884	20	30		EDEDRP
CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCC1(C#N)CCC1	ZINC000419624967	447304252	/nfs/dbraw/zinc/30/42/52/447304252.db2.gz	KWRQGPSZVIQVSI-MRXNPFEDSA-N	2	0	335.496	1.738	20	30		EDEDRP
C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCOC2(C[NH2+]C2)C1)C(C)C	ZINC000417059508	447732022	/nfs/dbraw/zinc/73/20/22/447732022.db2.gz	IJCPHNJBAIUWIM-MRXNPFEDSA-N	2	0	336.480	1.069	20	30		EDEDRP
C#CCN1CCN(C(=O)C[NH2+][C@H](C)c2ccc(OC)c(F)c2)CC1	ZINC000490915052	447908148	/nfs/dbraw/zinc/90/81/48/447908148.db2.gz	LHELRYCYXJVQQK-CQSZACIVSA-N	2	0	333.407	1.262	20	30		EDEDRP
C=CCc1ccccc1OC[C@@H](O)C[NH2+][C@H](C)CN1CC[NH+](C)CC1	ZINC000566673759	448534319	/nfs/dbraw/zinc/53/43/19/448534319.db2.gz	ZKUUPQVPCONWPG-MJGOQNOKSA-N	2	0	347.503	1.380	20	30		EDEDRP
N#Cc1ccc(N2CCC([NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@H]4C3)CC2)nc1	ZINC000592471008	448851862	/nfs/dbraw/zinc/85/18/62/448851862.db2.gz	RNOWDZRBANWPNU-LZLYRXPVSA-N	2	0	325.460	1.900	20	30		EDEDRP
CC(C)C[N@@H+]1CC[C@@H](C[NH2+]C[C@H](O)COc2ccc(C#N)cc2)C1	ZINC000575377311	449087224	/nfs/dbraw/zinc/08/72/24/449087224.db2.gz	KYVBPEVFVXCTGX-ROUUACIJSA-N	2	0	331.460	1.865	20	30		EDEDRP
N#Cc1cccc(C[NH+]2CCC(NC(=O)N3CC[C@@H]([NH3+])C3)CC2)c1	ZINC000593720366	449159624	/nfs/dbraw/zinc/15/96/24/449159624.db2.gz	KEHFJCFFKWBJFO-MRXNPFEDSA-N	2	0	327.432	1.265	20	30		EDEDRP
CO[C@@H](C[NH3+])CC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000593918659	449285592	/nfs/dbraw/zinc/28/55/92/449285592.db2.gz	FHQZMVMMELLLHD-QGZVFWFLSA-N	2	0	330.432	1.003	20	30		EDEDRP
Cc1cc(NC(=O)[C@H]([NH3+])CCCCC#N)n(C2CC[NH+](C)CC2)n1	ZINC000594437344	449516221	/nfs/dbraw/zinc/51/62/21/449516221.db2.gz	BBXLRYNOUHOOIM-OAHLLOKOSA-N	2	0	332.452	1.808	20	30		EDEDRP
N#CCCCC[C@@H]([NH3+])C(=O)Nc1ccc(-c2nnc(C[NH3+])[nH]2)cc1	ZINC000594441517	449519789	/nfs/dbraw/zinc/51/97/89/449519789.db2.gz	JPZYUHBQDDUMBX-CYBMUJFWSA-N	2	0	327.392	1.280	20	30		EDEDRP
N#Cc1ccc(N2CCC([NH2+]Cc3nc(C[NH3+])cc(=O)[nH]3)CC2)cc1	ZINC000596654412	449588604	/nfs/dbraw/zinc/58/86/04/449588604.db2.gz	OIKSWZIRWXNHIG-UHFFFAOYSA-N	2	0	338.415	1.271	20	30		EDEDRP
C=CC[C@@]1(C(=O)NCC2([NH+](C)C)Cc3ccccc3C2)CCC[NH2+]1	ZINC000662742131	453469761	/nfs/dbraw/zinc/46/97/61/453469761.db2.gz	STXBSNLJJPGIGS-FQEVSTJZSA-N	2	0	327.472	1.900	20	30		EDEDRP
C=CC[C@]1(C(=O)N2CCC(OCC[NH+]3CCCC3)CC2)CCC[NH2+]1	ZINC000662747341	453476485	/nfs/dbraw/zinc/47/64/85/453476485.db2.gz	TWQHYTGUJCZKAE-LJQANCHMSA-N	2	0	335.492	1.788	20	30		EDEDRP
CCC#C[C@H](C)N1CCN(c2cc(N3CCOCC3)ncn2)CC1	ZINC000677047929	486963279	/nfs/dbraw/zinc/96/32/79/486963279.db2.gz	LACJOOGMSTYSOZ-INIZCTEOSA-N	2	0	329.448	1.237	20	30		EDEDRP
C=CCOCCNC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1	ZINC000679484517	487430370	/nfs/dbraw/zinc/43/03/70/487430370.db2.gz	AIVBPNSNCGQERG-UHFFFAOYSA-N	2	0	347.463	1.096	20	30		EDEDRP
C=C(CC[NH+](C)C)C(=O)NCCC[NH+]1CCN(c2ccccc2)CC1	ZINC000900175875	591939082	/nfs/dbraw/zinc/93/90/82/591939082.db2.gz	DRJCDYGGGUJOFZ-UHFFFAOYSA-N	2	0	344.503	1.823	20	30		EDEDRP
C=C(CC[NH+](C)C)C(=O)Nc1ccc(N2CC[C@H]([NH+](C)C)C2)cn1	ZINC000901160722	592271366	/nfs/dbraw/zinc/27/13/66/592271366.db2.gz	YPLADNZUFMFPEO-INIZCTEOSA-N	2	0	331.464	1.668	20	30		EDEDRP
C=C(CC[NH+](C)C)C(=O)NCC1CC[NH+](Cc2ccncc2)CC1	ZINC000912403540	593093480	/nfs/dbraw/zinc/09/34/80/593093480.db2.gz	XFXMXKYPMDJUEB-UHFFFAOYSA-N	2	0	330.476	1.918	20	30		EDEDRP
C[C@@H]([NH2+]CCCN1CCC[C@@H]1C(=O)N(C)C)c1cccc(C#N)c1[O-]	ZINC000866253561	596838331	/nfs/dbraw/zinc/83/83/31/596838331.db2.gz	KQUMBSIGQWZPLT-RHSMWYFYSA-N	2	0	344.459	1.857	20	30		EDEDRP
C[C@@H]([NH2+]CCCN1CCC[C@H]1C(=O)N(C)C)c1cccc(C#N)c1[O-]	ZINC000866253559	596838431	/nfs/dbraw/zinc/83/84/31/596838431.db2.gz	KQUMBSIGQWZPLT-PBHICJAKSA-N	2	0	344.459	1.857	20	30		EDEDRP
C[NH+](C)[C@H](CNC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N)c1ccc(F)cc1	ZINC000884188265	598019241	/nfs/dbraw/zinc/01/92/41/598019241.db2.gz	COKITXFEDHTQMU-HLCARVAJSA-N	2	0	344.434	1.684	20	30		EDEDRP
N#C[C@H]1C[NH2+]CC12CC(C(=O)N1CC[C@@H](C[NH+]3CCCCC3)C1)C2	ZINC000884227642	598036283	/nfs/dbraw/zinc/03/62/83/598036283.db2.gz	UXHDZUQRALPBPX-WPZCVXBKSA-N	2	0	330.476	1.460	20	30		EDEDRP
C#CC[NH+]1CCC(NC(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)CC1	ZINC000914299422	695338336	/nfs/dbraw/zinc/33/83/36/695338336.db2.gz	SJTKLPHHLQSFHA-IBGZPJMESA-N	2	0	342.487	1.556	20	30		EDEDRP
C=CCC[N@H+]1CCC[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@@H]1C	ZINC000993979921	696480173	/nfs/dbraw/zinc/48/01/73/696480173.db2.gz	APTORUZXEMQMQQ-DOTOQJQBSA-N	2	0	333.480	1.604	20	30		EDEDRP
C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1[NH2+]Cc1ccccc1C#N	ZINC000939757414	699924532	/nfs/dbraw/zinc/92/45/32/699924532.db2.gz	YFOPZUKURREEJV-CRAIPNDOSA-N	2	0	326.444	1.591	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)N[C@H]2CC[C@@H](C[NH2+]Cc3ccon3)C2)CC1	ZINC000995239285	702892487	/nfs/dbraw/zinc/89/24/87/702892487.db2.gz	YHTJIFARPXLRJI-WBVHZDCISA-N	2	0	344.459	1.394	20	30		EDEDRP
C[N@@H+]1CC[C@H](C(=O)N2CCC([NH2+]Cc3ccc(C#N)s3)CC2)C1	ZINC000997298892	703556707	/nfs/dbraw/zinc/55/67/07/703556707.db2.gz	KTUFZDOMSRXDEV-ZDUSSCGKSA-N	2	0	332.473	1.652	20	30		EDEDRP
C#CCC[NH+]1CCC([C@H](C)NC(=O)c2ccn(CC[NH+](C)C)n2)CC1	ZINC000997588031	703875883	/nfs/dbraw/zinc/87/58/83/703875883.db2.gz	YLZASNJYSFHNKK-INIZCTEOSA-N	2	0	345.491	1.298	20	30		EDEDRP
C=C(C)C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1	ZINC001033094080	704175578	/nfs/dbraw/zinc/17/55/78/704175578.db2.gz	WIUIJTODGQXVNA-QRVBRYPASA-N	2	0	349.519	1.842	20	30		EDEDRP
CC#CC[NH+]1CCC([C@H](C)NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)CC1	ZINC000997691248	704563889	/nfs/dbraw/zinc/56/38/89/704563889.db2.gz	IZEGCZUQBDBXCR-GBJJWRMUSA-N	2	0	345.487	1.090	20	30		EDEDRP
CN(C(=O)C[C@H]1CC[NH+](C)C1)[C@@H]1CC[N@H+](Cc2cccc(C#N)c2)C1	ZINC001033580650	708261882	/nfs/dbraw/zinc/26/18/82/708261882.db2.gz	GHVCKHPAWZTGTO-RTBURBONSA-N	2	0	340.471	1.933	20	30		EDEDRP
C#CCC[NH+]1CCC(NC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)CC1	ZINC001003009437	709795067	/nfs/dbraw/zinc/79/50/67/709795067.db2.gz	WQPXNPBNLRJLTI-GOSISDBHSA-N	2	0	333.476	1.234	20	30		EDEDRP
C#CCN(C(=O)NC[C@H]1[N@H+](C)CCCC1(C)C)C1CC[NH+](C)CC1	ZINC000922255638	710527247	/nfs/dbraw/zinc/52/72/47/710527247.db2.gz	VVKGZPNRMBXOSG-QGZVFWFLSA-N	2	0	334.508	1.846	20	30		EDEDRP
C#CCN1CCC[C@H]1C(=O)N1CC[C@H]2C[N@H+]([C@H](C)COC)C[C@H]2CC1	ZINC000946628447	711975791	/nfs/dbraw/zinc/97/57/91/711975791.db2.gz	QRLAYBZHJRBTQD-YRXWBPOGSA-N	2	0	347.503	1.289	20	30		EDEDRP
CO[C@H]1C[C@@H](C(=O)Nc2ccccc2C[NH+]2CCC(O)CC2)N(C)C1	ZINC000328970449	539380004	/nfs/dbraw/zinc/38/00/04/539380004.db2.gz	BDPSJEXOJUEUIX-WMZOPIPTSA-N	2	0	347.459	1.950	20	30		EDEDRP
C=CCOc1ccccc1C[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1	ZINC000347016955	250052032	/nfs/dbraw/zinc/05/20/32/250052032.db2.gz	ZUVYPCQGPJQXQN-SFHVURJKSA-N	2	0	343.471	1.895	20	30		EDEDRP
C[C@H](O)C[NH+]1CCC(C[N@H+](C)CC(=O)Nc2cccc(C#N)c2)CC1	ZINC000264286487	139393623	/nfs/dbraw/zinc/39/36/23/139393623.db2.gz	KUPUKKXHNXMSFR-HNNXBMFYSA-N	2	0	344.459	1.521	20	30		EDEDRP
CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc(C#N)oc1C	ZINC000280754913	266145877	/nfs/dbraw/zinc/14/58/77/266145877.db2.gz	MSYBVFVLPCWXPP-OAHLLOKOSA-N	2	0	332.448	1.948	20	30		EDEDRP
C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+](C)CCCN(C)CC[NH+](C)C	ZINC000289483924	267138171	/nfs/dbraw/zinc/13/81/71/267138171.db2.gz	SAOAXYQFSLGNQS-MRXNPFEDSA-N	2	0	345.491	1.701	20	30		EDEDRP
N#Cc1ccccc1OC[C@H](O)C[NH+]1CCC(c2ncc[nH]2)CC1	ZINC000528399659	268298984	/nfs/dbraw/zinc/29/89/84/268298984.db2.gz	XCYKUMHAMCXRSS-MRXNPFEDSA-N	2	0	326.400	1.901	20	30		EDEDRP
C[C@H](C(=O)NC(=O)NCC(F)(F)F)[NH+]1CCC(C[NH+](C)C)CC1	ZINC000330737675	289258386	/nfs/dbraw/zinc/25/83/86/289258386.db2.gz	NAKSEHRWTNDZFI-SNVBAGLBSA-N	2	0	338.374	1.241	20	30		EDEDRP
CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@@H]1CC[C@H](C#N)C1	ZINC000425841222	447331984	/nfs/dbraw/zinc/33/19/84/447331984.db2.gz	HVJBJOSBLHDCFH-BBWFWOEESA-N	2	0	335.496	1.736	20	30		EDEDRP
C[NH+]=C(NCc1nccn1C(F)F)N[C@H]1C[N@@H+](C(C)C)C[C@H]1C	ZINC000158407034	441734136	/nfs/dbraw/zinc/73/41/36/441734136.db2.gz	JPKKJGOGFSGKRH-NEPJUHHUSA-N	2	0	328.411	1.672	20	30		EDEDRP
COc1ccccc1CNC(=[NH2+])NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1	ZINC000170909994	442287189	/nfs/dbraw/zinc/28/71/89/442287189.db2.gz	ITUPKWKIRWZTFX-GASCZTMLSA-N	2	0	334.464	1.599	20	30		EDEDRP
N#Cc1ccsc1NC(=O)CC[N@@H+]1CC[C@@H](CN2CCOCC2)C1	ZINC000129135522	442302828	/nfs/dbraw/zinc/30/28/28/442302828.db2.gz	BEOWEWQGPAFRGI-CQSZACIVSA-N	2	0	348.472	1.602	20	30		EDEDRP
C[NH+]=C(NCc1ccc(-n2ccnc2C)nc1)N1CC[C@H](COC)C1	ZINC000262472939	443196136	/nfs/dbraw/zinc/19/61/36/443196136.db2.gz	PIRNONYVRCQELR-INIZCTEOSA-N	2	0	342.447	1.619	20	30		EDEDRP
C[NH+]=C(NC[C@@H](O)c1ccc(F)cc1)N1CC[C@@H]([NH+]2CC=CC2)C1	ZINC000262754194	443210428	/nfs/dbraw/zinc/21/04/28/443210428.db2.gz	AQMLJAPNPHZIOY-IAGOWNOFSA-N	2	0	332.423	1.381	20	30		EDEDRP
[NH2+]=C(NCc1cccc(C(F)(F)F)c1)NC[C@H]1C[NH+]2CCN1CC2	ZINC000262825535	443213886	/nfs/dbraw/zinc/21/38/86/443213886.db2.gz	YEDSFTONQXTWSR-AWEZNQCLSA-N	2	0	341.381	1.110	20	30		EDEDRP
C[C@H](CCNC(=[NH2+])N1CCN(c2ncccn2)CC1)[NH+]1CCCCC1	ZINC000273354643	443567287	/nfs/dbraw/zinc/56/72/87/443567287.db2.gz	QZUKWIQUWQBKIT-MRXNPFEDSA-N	2	0	345.495	1.178	20	30		EDEDRP
COc1ccc(CCNC(=[NH2+])NCC2(C)CC[NH+](C)CC2)cc1OC	ZINC000272347131	443599034	/nfs/dbraw/zinc/59/90/34/443599034.db2.gz	BOCUKJBQCHPEFU-UHFFFAOYSA-N	2	0	348.491	1.883	20	30		EDEDRP
COC[C@H](C)NC(=[NH2+])NCc1ccc(OC2CC[NH+](C)CC2)cc1	ZINC000284139355	443768154	/nfs/dbraw/zinc/76/81/54/443768154.db2.gz	UXMPLMOMRISAKV-AWEZNQCLSA-N	2	0	334.464	1.599	20	30		EDEDRP
C[C@@H]1C[NH+]=C(NCCC[NH+]2CCN(c3cccc(Cl)c3)CC2)N1	ZINC000285179438	443885614	/nfs/dbraw/zinc/88/56/14/443885614.db2.gz	URMRLBFQQVQRBE-CQSZACIVSA-N	2	0	335.883	1.789	20	30		EDEDRP
C[NH+](C)C[C@@H]1CCN(C(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)C1	ZINC000330119835	444851144	/nfs/dbraw/zinc/85/11/44/444851144.db2.gz	INLMOZFYVCDOQN-UAGQMJEPSA-N	2	0	338.496	1.162	20	30		EDEDRP
C=C(C)C[NH+]1CCC(NC(=O)N(C)C[C@H]2C[C@@H](OC)C[N@H+]2C)CC1	ZINC000347087319	445231454	/nfs/dbraw/zinc/23/14/54/445231454.db2.gz	GMFPDDKOXWTMDB-IAGOWNOFSA-N	2	0	338.496	1.387	20	30		EDEDRP
CC(C)[NH+]1CC[C@@H](N(C)CC#CCN(C)[C@@H]2CC[N@@H+](C(C)C)C2)C1	ZINC000452111989	447816993	/nfs/dbraw/zinc/81/69/93/447816993.db2.gz	DNVOXNCYJIARTR-WOJBJXKFSA-N	2	0	334.552	1.819	20	30		EDEDRP
C#CC[N@H+](C)CCCNC(=O)NC1CC[NH+](CC2CCCC2)CC1	ZINC000491372582	448006844	/nfs/dbraw/zinc/00/68/44/448006844.db2.gz	JYIQBIKPYIIEOM-UHFFFAOYSA-N	2	0	334.508	1.895	20	30		EDEDRP
CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Cc1cccc(C#N)c1	ZINC000531392672	448076235	/nfs/dbraw/zinc/07/62/35/448076235.db2.gz	KTQNKPSGRGLNGK-LJQANCHMSA-N	2	0	342.487	1.975	20	30		EDEDRP
C(#CCN1CCOC[C@H]1C1CCC1)CN1CCOC[C@H]1C1CCC1	ZINC000517140307	448542846	/nfs/dbraw/zinc/54/28/46/448542846.db2.gz	NGFYXSWKMBJWSN-PMACEKPBSA-N	2	0	332.488	1.992	20	30		EDEDRP
OC1([C@H]2CCCC[N@@H+]2CC#CC[NH+]2CCCC[C@H]2C2(O)CC2)CC1	ZINC000568601529	448893766	/nfs/dbraw/zinc/89/37/66/448893766.db2.gz	YWJMYJJKUNQQQY-HDICACEKSA-N	2	0	332.488	1.749	20	30		EDEDRP
CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cccc(C#N)n1	ZINC000589366236	449010937	/nfs/dbraw/zinc/01/09/37/449010937.db2.gz	SJADSIOTJRLNKN-MRXNPFEDSA-N	2	0	329.448	1.441	20	30		EDEDRP
N#Cc1cccc(C[NH+]2CCC(NC(=O)[C@H]3C[C@]34CC[NH2+]C4)CC2)c1	ZINC000593919328	449287719	/nfs/dbraw/zinc/28/77/19/449287719.db2.gz	TYDGCXDLMGBPBF-QUCCMNQESA-N	2	0	338.455	1.638	20	30		EDEDRP
C[N@H+](CCc1ccccc1)[C@H]1CCN(C(=O)[C@@H]([NH3+])CCCC#N)C1	ZINC000595949224	449275578	/nfs/dbraw/zinc/27/55/78/449275578.db2.gz	YMHJDYWVOTWMJH-ROUUACIJSA-N	2	0	328.460	1.783	20	30		EDEDRP
CC(C)C[N@@H+]1CC[C@@H](C[NH2+]C[C@@H](O)COc2ccccc2C#N)C1	ZINC000600728871	449520457	/nfs/dbraw/zinc/52/04/57/449520457.db2.gz	CAIFXTGDQPXOSQ-FUHWJXTLSA-N	2	0	331.460	1.865	20	30		EDEDRP
N#CC1(C[C@H](O)C[NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)CC1	ZINC000600726999	449520841	/nfs/dbraw/zinc/52/08/41/449520841.db2.gz	NSWCSLNKCVLJIP-IBGZPJMESA-N	2	0	343.471	1.788	20	30		EDEDRP
C[C@@H](CC1(C#N)CCOCC1)[NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1	ZINC000602549436	449667465	/nfs/dbraw/zinc/66/74/65/449667465.db2.gz	VVQLQVTYOVMUKB-DLBZAZTESA-N	2	0	334.508	1.843	20	30		EDEDRP
C[C@@H](CC1(C#N)CCOCC1)[NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1	ZINC000602549441	449667726	/nfs/dbraw/zinc/66/77/26/449667726.db2.gz	VVQLQVTYOVMUKB-IRXDYDNUSA-N	2	0	334.508	1.843	20	30		EDEDRP
C=CC[C@@]1(C(=O)Nc2ccc(C(=O)NCC[NH+](C)C)cc2)CCC[NH2+]1	ZINC000638527543	451560064	/nfs/dbraw/zinc/56/00/64/451560064.db2.gz	UXFYHMJOPSRWES-IBGZPJMESA-N	2	0	344.459	1.615	20	30		EDEDRP
C=CC[NH+](CC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1)C(C)(C)C	ZINC000661754802	452555199	/nfs/dbraw/zinc/55/51/99/452555199.db2.gz	BOHADLLGABXIRD-MRXNPFEDSA-N	2	0	325.497	1.746	20	30		EDEDRP
C=C(C)C[NH+]1CCC(NC(=O)NCCN(C)CCC[NH+](C)C)CC1	ZINC000664016355	452719090	/nfs/dbraw/zinc/71/90/90/452719090.db2.gz	OCCSNLPRIPZPAC-UHFFFAOYSA-N	2	0	339.528	1.210	20	30		EDEDRP
C=CC[C@]1(C(=O)N(C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)CCC[NH2+]1	ZINC000662900402	453594586	/nfs/dbraw/zinc/59/45/86/453594586.db2.gz	LLXWXNXOJJJLAB-IEBWSBKVSA-N	2	0	334.508	1.312	20	30		EDEDRP
C#CCNC(=O)[C@H](C)[NH+]1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1	ZINC000177491551	527025497	/nfs/dbraw/zinc/02/54/97/527025497.db2.gz	RLACXVIPQAMMSV-ZACQAIPSSA-N	2	0	335.492	1.336	20	30		EDEDRP
O=C(NCC[NH2+]C1CC[NH+](C2CCCCC2)CC1)C1N=CC=CC1=O	ZINC000772985870	580324863	/nfs/dbraw/zinc/32/48/63/580324863.db2.gz	UPZDAAOKZJXRBZ-HNENSFHCSA-N	2	0	346.475	1.900	20	30		EDEDRP
C[C@@H]1C[NH+]=C(NN=C2CC3(CC[NH+](C)CC3)Oc3ccccc32)N1	ZINC000779795011	580497428	/nfs/dbraw/zinc/49/74/28/580497428.db2.gz	OMWBTDAKNMBACJ-CYBMUJFWSA-N	2	0	327.432	1.575	20	30		EDEDRP
C=C(CC[NH+](C)C)C(=O)NCc1ccccc1C[N@@H+]1CCC[C@H]1CO	ZINC000907287203	592585127	/nfs/dbraw/zinc/58/51/27/592585127.db2.gz	HCIFCONJYNYLQP-IBGZPJMESA-N	2	0	345.487	1.767	20	30		EDEDRP
CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C#Cc1cccs1	ZINC000825567713	594201608	/nfs/dbraw/zinc/20/16/08/594201608.db2.gz	DMPNAWPCNPEXOK-INIZCTEOSA-N	2	0	333.501	1.974	20	30		EDEDRP
C#CC[N@H+](C)CCCNC(=O)Nc1ccccc1N1CC[NH+](C)CC1	ZINC000836216302	594939618	/nfs/dbraw/zinc/93/96/18/594939618.db2.gz	JGGLNFDJXLGTTK-UHFFFAOYSA-N	2	0	343.475	1.515	20	30		EDEDRP
CC[NH+]1CCC(n2nccc2NC(=O)C#CC2CC[NH2+]CC2)CC1	ZINC000852857434	595579010	/nfs/dbraw/zinc/57/90/10/595579010.db2.gz	SOPKEVPRLYHDMM-UHFFFAOYSA-N	2	0	329.448	1.481	20	30		EDEDRP
C[C@H]1C[C@@H](NC(=O)C#CC2CC[NH2+]CC2)C[N@@H+]1Cc1ccccc1	ZINC000852869568	595589356	/nfs/dbraw/zinc/58/93/56/595589356.db2.gz	HLTBRYAGTQFHRW-QFBILLFUSA-N	2	0	325.456	1.769	20	30		EDEDRP
C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCC(OCC[NH+]2CCCC2)CC1	ZINC000876774393	597334477	/nfs/dbraw/zinc/33/44/77/597334477.db2.gz	UPCHCVLABYHXFS-OAHLLOKOSA-N	2	0	329.872	1.560	20	30		EDEDRP
CC[NH+](CC)C[C@H]1CCN(C(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)C1	ZINC000876773556	597334503	/nfs/dbraw/zinc/33/45/03/597334503.db2.gz	UVRRKFIUDMBAEM-APWZRJJASA-N	2	0	340.471	1.935	20	30		EDEDRP
C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC(CCC[NH+]2CCOCC2)CC1	ZINC000876890441	597371190	/nfs/dbraw/zinc/37/11/90/597371190.db2.gz	YYMPRAURZGIZLU-INIZCTEOSA-N	2	0	343.899	1.807	20	30		EDEDRP
CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNCc1cc(C#N)cnc1Cl	ZINC000876996589	597407267	/nfs/dbraw/zinc/40/72/67/597407267.db2.gz	VYYRHVXFJCRLKM-OAHLLOKOSA-N	2	0	349.866	1.639	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)N2C[C@@H]3CCC[C@@H]([NH2+]CCF)[C@H]3C2)CC1	ZINC000992930730	695459642	/nfs/dbraw/zinc/45/96/42/695459642.db2.gz	HNWMTQXGBZEBJD-OKZBNKHCSA-N	2	0	335.467	1.518	20	30		EDEDRP
C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@H]1C	ZINC000993980972	696480367	/nfs/dbraw/zinc/48/03/67/696480367.db2.gz	CJDQAMJGKSPWFH-SJLPKXTDSA-N	2	0	347.507	1.994	20	30		EDEDRP
C[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1[NH2+]Cc1ccccc1C#N	ZINC000939547851	699673214	/nfs/dbraw/zinc/67/32/14/699673214.db2.gz	ZXRJDRJGZKOWEM-YJBOKZPZSA-N	2	0	338.455	1.591	20	30		EDEDRP
C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1[NH2+]Cc1ccc(C#N)c(F)c1	ZINC000939757410	699924307	/nfs/dbraw/zinc/92/43/07/699924307.db2.gz	YFKMLYHDFJCBDM-KDOFPFPSSA-N	2	0	344.434	1.730	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)N2C[C@H](C)[C@H]([NH2+]CC3CCOCC3)C2)CC1	ZINC000939807908	699956771	/nfs/dbraw/zinc/95/67/71/699956771.db2.gz	BGLLDIHQUIAUKJ-QFBILLFUSA-N	2	0	347.503	1.195	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)N2C[C@H]([NH2+]Cc3ccccn3)[C@@H](C)C2)CC1	ZINC000939810515	699958587	/nfs/dbraw/zinc/95/85/87/699958587.db2.gz	NBDAYPOJAQDIOB-LPHOPBHVSA-N	2	0	340.471	1.363	20	30		EDEDRP
C=C(Br)C[NH2+]C1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1	ZINC000996610076	702921048	/nfs/dbraw/zinc/92/10/48/702921048.db2.gz	YCCRPYZVDDQCEN-TZMCWYRMSA-N	2	0	344.297	1.816	20	30		EDEDRP
C=C(Cl)C[NH2+][C@H]1CN(C(=O)[C@@H](C)C[NH+]2CCOCC2)CC1(C)C	ZINC000996627716	702930868	/nfs/dbraw/zinc/93/08/68/702930868.db2.gz	YOQDQURAXASCAX-ZFWWWQNUSA-N	2	0	343.899	1.534	20	30		EDEDRP
C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1CCC([NH2+]Cc2ccc(C#N)cc2)CC1	ZINC000997008462	703266530	/nfs/dbraw/zinc/26/65/30/703266530.db2.gz	MMNOQISOKLZLKT-DNVCBOLYSA-N	2	0	340.471	1.837	20	30		EDEDRP
C[N@@H+]1CC[C@@H](C(=O)N2CCC([NH2+]Cc3ccc(C#N)cc3)CC2)C1	ZINC000997297283	703555614	/nfs/dbraw/zinc/55/56/14/703555614.db2.gz	DZUDFAYIHLQWJC-QGZVFWFLSA-N	2	0	326.444	1.591	20	30		EDEDRP
C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]([NH2+]Cc2cccc(C#N)c2)C(C)(C)C1	ZINC000995550092	703929557	/nfs/dbraw/zinc/92/95/57/703929557.db2.gz	HUPOQAPXUPZEAK-QZTJIDSGSA-N	2	0	340.471	1.979	20	30		EDEDRP
C=C(C)CC[NH+]1CC[C@H](n2cc(CNC(=O)[C@H]3CCC[N@H+]3C)nn2)C1	ZINC000999964188	707629593	/nfs/dbraw/zinc/62/95/93/707629593.db2.gz	VXIYXAFDCZJNRE-DLBZAZTESA-N	2	0	346.479	1.202	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CC2CC(C)C2)CC1	ZINC001032800664	708083511	/nfs/dbraw/zinc/08/35/11/708083511.db2.gz	TWIXCHRQKLJIQL-VHZYLWGESA-N	2	0	329.488	1.663	20	30		EDEDRP
C=C(C)CC[NH+]1CCC(N(C)C(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1	ZINC001005427679	708983077	/nfs/dbraw/zinc/98/30/77/708983077.db2.gz	YIBHBCDQFQCKEH-MSOLQXFVSA-N	2	0	335.492	1.739	20	30		EDEDRP
C=C(C)CC[N@@H+]1CCCC[C@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1	ZINC001034321127	709771246	/nfs/dbraw/zinc/77/12/46/709771246.db2.gz	RRPLUKLMQFJMPS-AGYKMIKPSA-N	2	0	347.503	1.787	20	30		EDEDRP
C=C(C)C[N@H+]1CCCC[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1	ZINC001034435516	710008366	/nfs/dbraw/zinc/00/83/66/710008366.db2.gz	IEGVSHYBWAMISP-QGZVFWFLSA-N	2	0	333.480	1.605	20	30		EDEDRP
C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(C#N)c(F)c1	ZINC001034882661	711284023	/nfs/dbraw/zinc/28/40/23/711284023.db2.gz	DNBSYBNQIGTVGJ-SJLPKXTDSA-N	2	0	344.434	1.872	20	30		EDEDRP
C=C(C)C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC[NH+]2C2CCOCC2)C1	ZINC001033141876	711945120	/nfs/dbraw/zinc/94/51/20/711945120.db2.gz	PHAAJBOZQNNMOG-MSOLQXFVSA-N	2	0	335.492	1.739	20	30		EDEDRP
C[NH+]=C(NCc1ccco1)NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1	ZINC000264098422	249334269	/nfs/dbraw/zinc/33/42/69/249334269.db2.gz	YFQLQMRGXFDLKH-QGZVFWFLSA-N	2	0	342.443	1.364	20	30		EDEDRP
C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]CCC(=O)N(C)CCC#N	ZINC000372361360	250220210	/nfs/dbraw/zinc/22/02/10/250220210.db2.gz	YYQCIIOZUGSDIY-IKGGRYGDSA-N	2	0	336.480	1.228	20	30		EDEDRP
C=CCN(CC=C)C(=O)C[NH+]1CCC(n2ncc3c2C[NH2+]C3)CC1	ZINC000424295285	252192848	/nfs/dbraw/zinc/19/28/48/252192848.db2.gz	RCWCBIQVVYAOME-UHFFFAOYSA-N	2	0	329.448	1.324	20	30		EDEDRP
C[C@@H](CNC(=[NH2+])N[C@H]1CCOc2ccccc21)N1CC[NH+](C)CC1	ZINC000083034586	441348319	/nfs/dbraw/zinc/34/83/19/441348319.db2.gz	GSNAYIJFHFOMPA-HOCLYGCPSA-N	2	0	331.464	1.050	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)NC2CC[NH+](Cc3cccnc3)CC2)CC1	ZINC000172245050	442428974	/nfs/dbraw/zinc/42/89/74/442428974.db2.gz	GZWZCHWXZVNTLL-UHFFFAOYSA-N	2	0	340.471	1.507	20	30		EDEDRP
COc1ccc(N2CC[NH+](CCCNC(=[NH2+])NC3CC3)CC2)cc1	ZINC000195522042	443027568	/nfs/dbraw/zinc/02/75/68/443027568.db2.gz	WPYQHRULUPJUAM-UHFFFAOYSA-N	2	0	331.464	1.274	20	30		EDEDRP
[NH2+]=C(NC[C@@H]1C[NH+]2CCN1CC2)Nc1ccc(OC(F)(F)F)cc1	ZINC000262830055	443213894	/nfs/dbraw/zinc/21/38/94/443213894.db2.gz	ZPMOIRXOXSDDTE-GFCCVEGCSA-N	2	0	343.353	1.312	20	30		EDEDRP
C[NH+]=C(NC[C@H](O)c1ccc(F)cc1)N1CC[C@H](C[NH+]2CCCC2)C1	ZINC000262816437	443213918	/nfs/dbraw/zinc/21/39/18/443213918.db2.gz	WVHGLDMIJGYLIJ-QAPCUYQASA-N	2	0	348.466	1.852	20	30		EDEDRP
COc1ccc(CCNC(=[NH2+])NCC[NH+]2CCC(C)CC2)cc1OC	ZINC000264112573	443248308	/nfs/dbraw/zinc/24/83/08/443248308.db2.gz	RJUCSZPEAUYHCX-UHFFFAOYSA-N	2	0	348.491	1.883	20	30		EDEDRP
CC(C)(C)NC(=[NH2+])NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1	ZINC000267395076	443442658	/nfs/dbraw/zinc/44/26/58/443442658.db2.gz	DTCXOEURQBKDAM-MRXNPFEDSA-N	2	0	345.491	1.587	20	30		EDEDRP
CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(N2CC=CC2)cc1	ZINC000267414283	443448700	/nfs/dbraw/zinc/44/87/00/443448700.db2.gz	IWOIJFPEVMHUMM-GOSISDBHSA-N	2	0	327.476	1.951	20	30		EDEDRP
CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1cccc(N2CC=CC2)c1	ZINC000267445303	443460613	/nfs/dbraw/zinc/46/06/13/443460613.db2.gz	PWCRBZACSARMGU-GOSISDBHSA-N	2	0	327.476	1.951	20	30		EDEDRP
CCCCNC(=[NH2+])NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1	ZINC000267453864	443463158	/nfs/dbraw/zinc/46/31/58/443463158.db2.gz	SHMGYHDDVDVGBH-KRWDZBQOSA-N	2	0	345.491	1.588	20	30		EDEDRP
C=CCN(C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)C1CC1	ZINC000271579261	443506068	/nfs/dbraw/zinc/50/60/68/443506068.db2.gz	REWBHCMAMPOGOG-UHFFFAOYSA-N	2	0	343.475	1.954	20	30		EDEDRP
CN(CCC#N)C(=O)CC[N@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1	ZINC000280372862	443705136	/nfs/dbraw/zinc/70/51/36/443705136.db2.gz	JLUPONPQYGIOAA-KDURUIRLSA-N	2	0	340.471	1.812	20	30		EDEDRP
CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H]1CC(=O)Nc2ccccc21	ZINC000304807938	444253601	/nfs/dbraw/zinc/25/36/01/444253601.db2.gz	UEWRBOJYYAVKGR-KGLIPLIRSA-N	2	0	329.448	1.501	20	30		EDEDRP
C#CC[N@H+](C)CCCNC(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1	ZINC000297083511	444272596	/nfs/dbraw/zinc/27/25/96/444272596.db2.gz	ZKXXAFDSKBYSBD-GOSISDBHSA-N	2	0	328.460	1.515	20	30		EDEDRP
C#CC[N@@H+](C)CCCNC(=O)NC[C@H](c1cccc(OC)c1)[NH+](C)C	ZINC000297570180	444302630	/nfs/dbraw/zinc/30/26/30/444302630.db2.gz	DDXAWPBKPFZCEC-GOSISDBHSA-N	2	0	346.475	1.552	20	30		EDEDRP
CC#CCN(C)[C@@H](C)C(=O)NCc1ccc(CN2CCOCC2)cc1	ZINC000339750531	445167210	/nfs/dbraw/zinc/16/72/10/445167210.db2.gz	DCGNNQRKFCOYRC-KRWDZBQOSA-N	2	0	343.471	1.479	20	30		EDEDRP
C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]C[C@@H](O)COc2ccc(CC#N)cc2)C1	ZINC000576816558	448145930	/nfs/dbraw/zinc/14/59/30/448145930.db2.gz	XJNBIJLYLISMLT-KZNAEPCWSA-N	2	0	331.460	1.955	20	30		EDEDRP
N#CCc1ccc(OC[C@H](O)C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1	ZINC000591726577	448473309	/nfs/dbraw/zinc/47/33/09/448473309.db2.gz	QJLNUZZHTRUKIG-KZNAEPCWSA-N	2	0	329.444	1.709	20	30		EDEDRP
CN(CCC#N)C[C@@H](O)C[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1	ZINC000574257795	448828698	/nfs/dbraw/zinc/82/86/98/448828698.db2.gz	ZFFULVUNXWJVGJ-IBGZPJMESA-N	2	0	330.476	1.578	20	30		EDEDRP
C=CC[NH+]1CCC(NC(=O)NC2CCC(N3CC[NH2+]CC3)CC2)CC1	ZINC000574262140	448829277	/nfs/dbraw/zinc/82/92/77/448829277.db2.gz	IJZGSIMRHMWGKF-UHFFFAOYSA-N	2	0	349.523	1.152	20	30		EDEDRP
C[C@@H]1[C@H](C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)CC[N@@H+]1C	ZINC000592755672	448971375	/nfs/dbraw/zinc/97/13/75/448971375.db2.gz	VVWBOTXCCLBELY-CRAIPNDOSA-N	2	0	328.460	1.789	20	30		EDEDRP
C[NH2+][C@@H]1CCN(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)C1	ZINC000593718961	449159816	/nfs/dbraw/zinc/15/98/16/449159816.db2.gz	CBEGHLPCGOMTIC-GOSISDBHSA-N	2	0	341.459	1.526	20	30		EDEDRP
C[C@H]1CN(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)CC[NH2+]1	ZINC000593720923	449159854	/nfs/dbraw/zinc/15/98/54/449159854.db2.gz	MTRMFZLFOPIUSY-HNNXBMFYSA-N	2	0	341.459	1.526	20	30		EDEDRP
C[N@@H+]1CC[C@H](CC(=O)N2CCC[NH+](Cc3ccc(C#N)cc3)CC2)C1	ZINC000602048037	449300040	/nfs/dbraw/zinc/30/00/40/449300040.db2.gz	UQULMPNSHRTATO-LJQANCHMSA-N	2	0	340.471	1.934	20	30		EDEDRP
C[C@H](CC1(C#N)CCOCC1)[NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1	ZINC000602549438	449668258	/nfs/dbraw/zinc/66/82/58/449668258.db2.gz	VVQLQVTYOVMUKB-IAGOWNOFSA-N	2	0	334.508	1.843	20	30		EDEDRP
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NCC12CC(C1)C[NH2+]2	ZINC000595273329	449992632	/nfs/dbraw/zinc/99/26/32/449992632.db2.gz	LXNRCUSTHMBQDN-UHFFFAOYSA-N	2	0	341.459	1.383	20	30		EDEDRP
C=CC[C@@]1(C(=O)NCc2ccc(OCC[NH+](C)C)cc2)CCC[NH2+]1	ZINC000662675315	453392899	/nfs/dbraw/zinc/39/28/99/453392899.db2.gz	KZHDAYPXZZBOHH-IBGZPJMESA-N	2	0	331.460	1.942	20	30		EDEDRP
C=CC[C@@]1(C(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)CCC[NH2+]1	ZINC000662756603	453494628	/nfs/dbraw/zinc/49/46/28/453494628.db2.gz	JAQKKTGAHREEGT-IBGZPJMESA-N	2	0	343.475	1.148	20	30		EDEDRP
C=CC[NH+](CC=C)[C@H](CNC(=O)C1C[NH+]([C@@H]2CCOC2)C1)C(C)C	ZINC000895672047	591247929	/nfs/dbraw/zinc/24/79/29/591247929.db2.gz	UWSCZBJIKAFNRI-QZTJIDSGSA-N	2	0	335.492	1.522	20	30		EDEDRP
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)C[N@H+](C)C1CCC1	ZINC000900245818	591957627	/nfs/dbraw/zinc/95/76/27/591957627.db2.gz	MLNVTBDNLQSERF-UHFFFAOYSA-N	2	0	328.460	1.933	20	30		EDEDRP
N#C[C@@H]1C[NH2+]CC12CC(c1nc([C@@H]3CN4CCCC[C@@H]4CO3)no1)C2	ZINC000904099158	592425083	/nfs/dbraw/zinc/42/50/83/592425083.db2.gz	LHNNJVRAYZWMAO-HIJUSWDOSA-N	2	0	343.431	1.602	20	30		EDEDRP
C#CC[N@@H+](C)CCCNC(=O)N1CCN(C)[C@H](Cc2ccccc2)C1	ZINC000838621888	593197271	/nfs/dbraw/zinc/19/72/71/593197271.db2.gz	HZJKSCYBKGCOFP-LJQANCHMSA-N	2	0	342.487	1.510	20	30		EDEDRP
N#CCCC[C@@H]([NH3+])C(=O)Nc1ccc(C(=O)OC2CC[NH2+]CC2)cc1	ZINC000818538567	593703910	/nfs/dbraw/zinc/70/39/10/593703910.db2.gz	OATWBWVWMFVCRO-MRXNPFEDSA-N	2	0	344.415	1.555	20	30		EDEDRP
C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)C#CC1CC[NH2+]CC1	ZINC000852880406	595595960	/nfs/dbraw/zinc/59/59/60/595595960.db2.gz	MVYZKTANEVDMSA-UHFFFAOYSA-N	2	0	349.425	1.858	20	30		EDEDRP
C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)C#CC1CC[NH2+]CC1	ZINC000852884228	595597736	/nfs/dbraw/zinc/59/77/36/595597736.db2.gz	VWCKKIDIXAXMPW-UHFFFAOYSA-N	2	0	331.435	1.719	20	30		EDEDRP
C=C(C[NH+](C)C)C(=O)N(C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1	ZINC000869515580	596547551	/nfs/dbraw/zinc/54/75/51/596547551.db2.gz	DCQNOOPKDAKHSS-IBGZPJMESA-N	2	0	331.460	1.200	20	30		EDEDRP
CCc1nnc(N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c(C#N)c1CC	ZINC000866012000	596757515	/nfs/dbraw/zinc/75/75/15/596757515.db2.gz	OGIIBHKRBLOLOB-HUUCEWRRSA-N	2	0	344.507	1.649	20	30		EDEDRP
Cc1cc(NC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)ncc1C#N	ZINC000880521308	597953767	/nfs/dbraw/zinc/95/37/67/597953767.db2.gz	FVMJZINDQPOCIT-HZPDHXFCSA-N	2	0	344.463	1.465	20	30		EDEDRP
COCC[C@H]([NH3+])C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000884389075	598089623	/nfs/dbraw/zinc/08/96/23/598089623.db2.gz	OCTXQYMXGRRXRP-KRWDZBQOSA-N	2	0	330.432	1.003	20	30		EDEDRP
C=CC[NH+]1CCC(NC(=O)N[C@H]2CCC[N@@H+]3CCSC[C@@H]23)CC1	ZINC000917137711	696950398	/nfs/dbraw/zinc/95/03/98/696950398.db2.gz	VKJSJGWFRZVMBV-HOTGVXAUSA-N	2	0	338.521	1.516	20	30		EDEDRP
C[C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1[NH2+]Cc1ccc(F)c(C#N)c1	ZINC000939753564	699903071	/nfs/dbraw/zinc/90/30/71/699903071.db2.gz	GYNSZPYQILOOIN-KSSFIOAISA-N	2	0	344.434	1.730	20	30		EDEDRP
C=CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C(C)(C)C1	ZINC000940902164	700976964	/nfs/dbraw/zinc/97/69/64/700976964.db2.gz	YATMUXNUGYISKA-RXCRORICSA-N	2	0	347.503	1.642	20	30		EDEDRP
C#CCN1CC[NH+](C2CCC(NC(=O)C[C@H]3CC[N@@H+](C)C3)CC2)CC1	ZINC000996794596	703079224	/nfs/dbraw/zinc/07/92/24/703079224.db2.gz	AUBHXDFJHSBSIG-LMDPOFIKSA-N	2	0	346.519	1.006	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)N2CCC([NH2+]Cc3ccccn3)CC2)CC1	ZINC000997365417	703599285	/nfs/dbraw/zinc/59/92/85/703599285.db2.gz	URVRRHBXXPTPFH-UHFFFAOYSA-N	2	0	340.471	1.507	20	30		EDEDRP
CC#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+]4CCC[C@H]4CO3)CC[C@@H]2C1	ZINC000946597964	704309104	/nfs/dbraw/zinc/30/91/04/704309104.db2.gz	SCUQFUNPLFROKZ-RDGPPVDQSA-N	2	0	345.487	1.043	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)N[C@@H](C)C2CC[NH+](CCOC)CC2)CC1	ZINC000997874769	704781876	/nfs/dbraw/zinc/78/18/76/704781876.db2.gz	QYHOLBNBFCBKEK-INIZCTEOSA-N	2	0	335.492	1.195	20	30		EDEDRP
C[C@H]1C[N@H+](Cc2cccc(C#N)c2)CC[C@@H]1NC(=O)C[NH+]1CCCC1	ZINC000944945215	704798265	/nfs/dbraw/zinc/79/82/65/704798265.db2.gz	QABVQTJNNUMJAQ-LPHOPBHVSA-N	2	0	340.471	1.981	20	30		EDEDRP
C=C(Br)C[NH2+]C1CC(N(C)C(=O)[C@H]2CCCC[N@@H+]2C)C1	ZINC000998993988	706411469	/nfs/dbraw/zinc/41/14/69/706411469.db2.gz	IPHHJDGQIPTNNK-JXQTWKCFSA-N	2	0	344.297	1.958	20	30		EDEDRP
C=C(C)CC[NH+]1CC[C@H](n2cc(CNC(=O)[C@@H]3CCC[N@H+]3C)nn2)C1	ZINC000999964190	707629945	/nfs/dbraw/zinc/62/99/45/707629945.db2.gz	VXIYXAFDCZJNRE-IRXDYDNUSA-N	2	0	346.479	1.202	20	30		EDEDRP
C[C@@H]1CC[N@H+](CC(=O)N(C)[C@H]2CC[NH+](Cc3cccc(C#N)c3)C2)C1	ZINC001033421497	707834547	/nfs/dbraw/zinc/83/45/47/707834547.db2.gz	YPYSGXNRMXMGBZ-APWZRJJASA-N	2	0	340.471	1.933	20	30		EDEDRP
CC#CC[NH+]1CCC(N(C)C(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)CC1	ZINC001005496785	709230762	/nfs/dbraw/zinc/23/07/62/709230762.db2.gz	IKZLKUMLGYCARO-IBGZPJMESA-N	2	0	347.503	1.576	20	30		EDEDRP
C#CCC[NH+]1CCC(N(C)C(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)CC1	ZINC001005496887	709231048	/nfs/dbraw/zinc/23/10/48/709231048.db2.gz	JJPABTBSZWWTQV-IBGZPJMESA-N	2	0	347.503	1.576	20	30		EDEDRP
C#CCN1CCC[C@H]1C(=O)NC1CC[NH+](Cc2ocnc2C)CC1	ZINC001003056748	709906724	/nfs/dbraw/zinc/90/67/24/709906724.db2.gz	RTIAFHWSPPLOMB-INIZCTEOSA-N	2	0	330.432	1.161	20	30		EDEDRP
C=CCNC(=[NH2+])NCCCC[NH+]1CCN(c2cccc(C)c2)CC1	ZINC000264098910	249333563	/nfs/dbraw/zinc/33/35/63/249333563.db2.gz	NKULTBVKWOUNSH-UHFFFAOYSA-N	2	0	329.492	1.988	20	30		EDEDRP
CC[NH+]1CCN(Cc2ccc(CNC(=[NH2+])NCC(C)C)cc2)CC1	ZINC000264093862	249333603	/nfs/dbraw/zinc/33/36/03/249333603.db2.gz	LZOZBFUVGIIAGS-UHFFFAOYSA-N	2	0	331.508	1.884	20	30		EDEDRP
C[C@@H](C[NH3+])CNC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1	ZINC000418475044	251374041	/nfs/dbraw/zinc/37/40/41/251374041.db2.gz	QGQLRTLMDXHMEZ-HNNXBMFYSA-N	2	0	329.448	1.370	20	30		EDEDRP
N#Cc1ccc(C[N@H+]2CCCN(C(=O)N[C@H]3CC[NH2+]C3)CC2)cc1	ZINC000333723776	141366414	/nfs/dbraw/zinc/36/64/14/141366414.db2.gz	VBQFXGKKMHMYPB-KRWDZBQOSA-N	2	0	327.432	1.137	20	30		EDEDRP
CC[NH+]1CCN(CCNC(=[NH2+])N[C@H]2CCOc3ccccc32)CC1	ZINC000083031572	441347904	/nfs/dbraw/zinc/34/79/04/441347904.db2.gz	AZUQBRPJLRFMPS-INIZCTEOSA-N	2	0	331.464	1.052	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1	ZINC000050023929	441370769	/nfs/dbraw/zinc/37/07/69/441370769.db2.gz	SHDIQDKQVDIVSW-LJQANCHMSA-N	2	0	325.456	1.722	20	30		EDEDRP
CC[NH+](CC)CCNC1=[NH+]C[C@H]2CN(C(=O)OC(C)(C)C)CCN12	ZINC000089119854	441526131	/nfs/dbraw/zinc/52/61/31/441526131.db2.gz	ASLDXQSGWCNSKX-AWEZNQCLSA-N	2	0	339.484	1.209	20	30		EDEDRP
C[NH+]=C(NC[C@H]1CCC[N@@H+]1C)N[C@@H]1CCN(c2ccccc2OC)C1	ZINC000158695674	441757652	/nfs/dbraw/zinc/75/76/52/441757652.db2.gz	AXIMIYMAZXTSTK-HZPDHXFCSA-N	2	0	345.491	1.533	20	30		EDEDRP
C[NH+](C)CCCN(CCC#N)C(=O)Nc1ccn(CC[NH+](C)C)n1	ZINC000120566955	442096129	/nfs/dbraw/zinc/09/61/29/442096129.db2.gz	JBVMRGUZOQOFSH-UHFFFAOYSA-N	2	0	335.456	1.144	20	30		EDEDRP
CCN(CC)C(=[NH2+])NCc1ccc(CNC(=[NH2+])N(CC)CC)cc1	ZINC000164313499	442194920	/nfs/dbraw/zinc/19/49/20/442194920.db2.gz	CHUIURNQJYNDRD-UHFFFAOYSA-N	2	0	332.496	2.000	20	30		EDEDRP
CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCC(=O)N(C)Cc1ccccc1	ZINC000170913628	442287843	/nfs/dbraw/zinc/28/78/43/442287843.db2.gz	WRPNUAGTUAFRNT-MRXNPFEDSA-N	2	0	331.464	1.034	20	30		EDEDRP
C=CCNC(=O)NC(=O)CN1CCC[C@@H](C[NH+]2CCC(C)CC2)C1	ZINC000154756000	442355655	/nfs/dbraw/zinc/35/56/55/442355655.db2.gz	RCRSMPPIPMCZLU-INIZCTEOSA-N	2	0	336.480	1.442	20	30		EDEDRP
C[NH+]=C(NC[C@]1(O)CCc2ccccc21)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C	ZINC000261659005	443162925	/nfs/dbraw/zinc/16/29/25/443162925.db2.gz	AMIGSADDHUKTRJ-HEFCMCLBSA-N	2	0	342.487	1.468	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)NC[C@H](C)[N@H+](C)Cc2ccccc2)CC1	ZINC000264645860	443359722	/nfs/dbraw/zinc/35/97/22/443359722.db2.gz	HHFLLPANGLRORZ-KRWDZBQOSA-N	2	0	327.472	1.968	20	30		EDEDRP
C[C@@H]1C[NH+]=C(NCCCC[NH+]2CCN(Cc3ccccc3)CC2)N1	ZINC000284962284	443799256	/nfs/dbraw/zinc/79/92/56/443799256.db2.gz	FLONGLTUNHSQIY-QGZVFWFLSA-N	2	0	329.492	1.522	20	30		EDEDRP
C[NH+]1CCC(C[NH2+]Cc2cc(C#N)cs2)(N2CCOCC2)CC1	ZINC000562738284	321074923	/nfs/dbraw/zinc/07/49/23/321074923.db2.gz	ALHOBVPWIQUTFE-UHFFFAOYSA-N	2	0	334.489	1.506	20	30		EDEDRP
C[NH+]1CCC(CC[NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)CC1	ZINC000323189891	444342343	/nfs/dbraw/zinc/34/23/43/444342343.db2.gz	RGLKOHRDBVMCKP-UHFFFAOYSA-N	2	0	335.473	1.653	20	30		EDEDRP
C[C@@H](CNC(=O)N1CCC([N@H+](C)CCO)CC1)[NH+]1CCC[C@@H](C)C1	ZINC000331143476	444415121	/nfs/dbraw/zinc/41/51/21/444415121.db2.gz	YJDYBNDFXRAQDA-CVEARBPZSA-N	2	0	340.512	1.409	20	30		EDEDRP
C[N@H+](CCCC[NH2+]CCS(=O)(=O)c1cccc(C#N)c1)C1CC1	ZINC000581127518	322139120	/nfs/dbraw/zinc/13/91/20/322139120.db2.gz	XGIRCDSOQSVWKL-UHFFFAOYSA-N	2	0	335.473	1.796	20	30		EDEDRP
O=C(NCc1ccnc(N2CCCC2)c1)N[C@@H]1CC[N@@H+](C2CC2)C1	ZINC000329288087	444522272	/nfs/dbraw/zinc/52/22/72/444522272.db2.gz	HPRHDOODCIJJHF-OAHLLOKOSA-N	2	0	329.448	1.922	20	30		EDEDRP
C[NH+](C)[C@@H]1CCN(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)C1	ZINC000330233795	444899952	/nfs/dbraw/zinc/89/99/52/444899952.db2.gz	SHQPOHSLLAPDGP-BRWVUGGUSA-N	2	0	338.496	1.304	20	30		EDEDRP
CC(C)[NH+]1CCC(O)(C[NH2+]Cc2cnc3ccc(C#N)cn23)CC1	ZINC000344680671	445124623	/nfs/dbraw/zinc/12/46/23/445124623.db2.gz	ZLYSTYZGWNSKFE-UHFFFAOYSA-N	2	0	327.432	1.531	20	30		EDEDRP
C[C@H](O)C[NH+]1CCC(C[N@H+](C)[C@@H](C(N)=O)c2ccc(C#N)cc2)CC1	ZINC000360283964	445675156	/nfs/dbraw/zinc/67/51/56/445675156.db2.gz	CDDNHFXGTMMOLX-KBXCAEBGSA-N	2	0	344.459	1.109	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)N2CCC(CC[NH+]3CCOCC3)CC2)CC1	ZINC000363638865	445863077	/nfs/dbraw/zinc/86/30/77/445863077.db2.gz	ULMMLUVIEFOBOE-UHFFFAOYSA-N	2	0	347.503	1.293	20	30		EDEDRP
C(#CC[N@@H+]1CC[C@@]2(C1)CCCOC2)C[NH+]1CC[C@@]2(C1)CCCOC2	ZINC000375290819	446696804	/nfs/dbraw/zinc/69/68/04/446696804.db2.gz	CRSCQCXXDGSZJI-WOJBJXKFSA-N	2	0	332.488	1.995	20	30		EDEDRP
COc1cc(C[NH2+]CCCC[NH+]2CCN(CCO)CC2)ccc1C#N	ZINC000440807286	446855940	/nfs/dbraw/zinc/85/59/40/446855940.db2.gz	JGARMIOSNABDQL-UHFFFAOYSA-N	2	0	346.475	1.047	20	30		EDEDRP
CCC[N@@H+]1CC[C@H](C[NH2+]C[C@H](O)COc2ccc(CC#N)cc2)C1	ZINC000566108131	448390387	/nfs/dbraw/zinc/39/03/87/448390387.db2.gz	CVHYSSUAPPUUIS-MSOLQXFVSA-N	2	0	331.460	1.814	20	30		EDEDRP
C=CC[NH+]1CCC(NC(=O)N2CCc3ccccc3[C@@H]2C[NH3+])CC1	ZINC000584408876	448515778	/nfs/dbraw/zinc/51/57/78/448515778.db2.gz	HYGZDUTXWIIWJW-SFHVURJKSA-N	2	0	328.460	1.905	20	30		EDEDRP
CC[NH+]1CCC(NC(=O)C[NH2+]C(C)(C)c2cccc(C#N)c2)CC1	ZINC000595641106	449094001	/nfs/dbraw/zinc/09/40/01/449094001.db2.gz	BCBYWTRYKYWFOD-UHFFFAOYSA-N	2	0	328.460	1.983	20	30		EDEDRP
C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)[C@H]([NH3+])CCCCC#N)CC1	ZINC000594437451	449516082	/nfs/dbraw/zinc/51/60/82/449516082.db2.gz	JUYKRZGCQCEQCY-FGTMMUONSA-N	2	0	349.523	1.415	20	30		EDEDRP
C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)[C@H]([NH3+])CCCCC#N)CC1	ZINC000594437465	449517142	/nfs/dbraw/zinc/51/71/42/449517142.db2.gz	JUYKRZGCQCEQCY-KZNAEPCWSA-N	2	0	349.523	1.415	20	30		EDEDRP
N#CCCCC[C@@H]([NH3+])C(=O)N1CCC(OCC[NH+]2CCCC2)CC1	ZINC000594439053	449518391	/nfs/dbraw/zinc/51/83/91/449518391.db2.gz	NGCZAWKVQIMZMD-QGZVFWFLSA-N	2	0	336.480	1.501	20	30		EDEDRP
N#Cc1cccc(CNC(=O)CN2CCCN(c3cc[nH+]cc3)CC2)c1	ZINC000602845848	449853776	/nfs/dbraw/zinc/85/37/76/449853776.db2.gz	LSFCISOOCIEIBZ-UHFFFAOYSA-N	2	0	349.438	1.782	20	30		EDEDRP
C=CCNC(=O)[C@@H](C)[NH+]1CCC(c2cc(C3CC[NH2+]CC3)[nH]n2)CC1	ZINC000662327175	453046256	/nfs/dbraw/zinc/04/62/56/453046256.db2.gz	FAAVAMHWPPYGAQ-CQSZACIVSA-N	2	0	345.491	1.747	20	30		EDEDRP
C=CC[C@@]1(C(=O)NCc2cccc(OCC[NH+](C)C)c2)CCC[NH2+]1	ZINC000662675913	453394510	/nfs/dbraw/zinc/39/45/10/453394510.db2.gz	QMOHBXMOYKEKOG-IBGZPJMESA-N	2	0	331.460	1.942	20	30		EDEDRP
C[NH+]1CCN(c2ccc(C=[NH+]NCCCN3CCOCC3)cc2)CC1	ZINC000799488123	581029217	/nfs/dbraw/zinc/02/92/17/581029217.db2.gz	NSZKKSIKWBMTOK-UHFFFAOYSA-N	2	0	345.491	1.084	20	30		EDEDRP
N#CC1(CCCC[N@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)CCC1	ZINC000903713439	592291254	/nfs/dbraw/zinc/29/12/54/592291254.db2.gz	QKAHDWZITXPFOM-KRWDZBQOSA-N	2	0	332.492	1.994	20	30		EDEDRP
N#Cc1ccc(C2([NH2+]C[C@H]3C[C@@]4(CC[NH2+]C4)CO3)CCOCC2)cc1	ZINC000903771134	592311796	/nfs/dbraw/zinc/31/17/96/592311796.db2.gz	OVPQIGKKKICFIM-RTBURBONSA-N	2	0	341.455	1.922	20	30		EDEDRP
CN(C)C(NCc1ccccc1)=[NH+]CC(C)(C)N1CC[NH+](C)CC1	ZINC000849055648	595476032	/nfs/dbraw/zinc/47/60/32/595476032.db2.gz	SUHTVWBFCRVDOE-UHFFFAOYSA-N	2	0	331.508	1.720	20	30		EDEDRP
C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)C#CC2CC[NH2+]CC2)C1	ZINC000852862649	595583221	/nfs/dbraw/zinc/58/32/21/595583221.db2.gz	ICTHLHHCZCALFB-QFBILLFUSA-N	2	0	325.456	1.941	20	30		EDEDRP
CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](C[C@@H](C)O)c1ccccc1	ZINC000122385580	596380604	/nfs/dbraw/zinc/38/06/04/596380604.db2.gz	PKOLPSVVVSLZNC-KBAYOESNSA-N	2	0	332.492	1.930	20	30		EDEDRP
C[C@H](CNC(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21)C[NH+]1CCCC1	ZINC000876729249	597310055	/nfs/dbraw/zinc/31/00/55/597310055.db2.gz	IQLGZAACMOMSLM-RDTXWAMCSA-N	2	0	326.444	1.593	20	30		EDEDRP
C[NH+](C)C[C@@H]1CN(C(=O)Nc2ccnc(C#N)c2)C[C@H]1C[NH+](C)C	ZINC000880537080	597958678	/nfs/dbraw/zinc/95/86/78/597958678.db2.gz	KJKDQQWCDTYUEE-ZIAGYGMSSA-N	2	0	330.436	1.156	20	30		EDEDRP
C[NH+](C)[C@@H](CNC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N)c1ccccc1	ZINC000884177081	598015760	/nfs/dbraw/zinc/01/57/60/598015760.db2.gz	ZVNVESYIIUPJRD-ISXWCOSWSA-N	2	0	326.444	1.545	20	30		EDEDRP
C#CC[NH+]1CCC(NC(=O)NC[C@]2([NH+](C)C)CCC[C@H](C)C2)CC1	ZINC000914314314	695351844	/nfs/dbraw/zinc/35/18/44/695351844.db2.gz	RIBFVNOHKKWRFE-LPHOPBHVSA-N	2	0	334.508	1.894	20	30		EDEDRP
C#CCN(C(=O)N[C@H](C)C[N@@H+]1CCC[C@@H](C)C1)C1CC[NH+](C)CC1	ZINC000914342038	695366654	/nfs/dbraw/zinc/36/66/54/695366654.db2.gz	VEYJJKXVTAPDIF-IAGOWNOFSA-N	2	0	334.508	1.846	20	30		EDEDRP
C=C(Cl)C[NH2+][C@@H]1CN(C(=O)c2cnn(CC[NH+](C)C)c2)C[C@H]1C	ZINC000939291794	699479142	/nfs/dbraw/zinc/47/91/42/699479142.db2.gz	IHCWOAFERAYYTL-IUODEOHRSA-N	2	0	339.871	1.247	20	30		EDEDRP
C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1[NH2+]Cc1ccc(C#N)cc1	ZINC000939752846	699902027	/nfs/dbraw/zinc/90/20/27/699902027.db2.gz	AQTNQQRWXVACJD-QAPCUYQASA-N	2	0	326.444	1.591	20	30		EDEDRP
CC#CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C(C)(C)C1	ZINC000940901836	700976563	/nfs/dbraw/zinc/97/65/63/700976563.db2.gz	QXZIHSNPFLCLRM-MUZJZNNISA-N	2	0	345.487	1.090	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CC#CC)CC2(C)C)CC1	ZINC000941239123	701429398	/nfs/dbraw/zinc/42/93/98/701429398.db2.gz	ITGWYMWQNDKRME-SFHVURJKSA-N	2	0	329.488	1.572	20	30		EDEDRP
C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCC1C[NH+](Cc2ccc(C#N)cc2)C1	ZINC001031978241	701992182	/nfs/dbraw/zinc/99/21/82/701992182.db2.gz	QVSUUKOYKAZLPX-KBXCAEBGSA-N	2	0	326.444	1.304	20	30		EDEDRP
C[N@@H+]1CC[C@H](C(=O)N2C[C@H]([NH2+]Cc3ccc(C#N)s3)C(C)(C)C2)C1	ZINC000996607554	702910596	/nfs/dbraw/zinc/91/05/96/702910596.db2.gz	CRNCPJHWUBAXJA-BBRMVZONSA-N	2	0	346.500	1.898	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)N2C[C@@H]([NH2+]CC3CCC3)C(C)(C)C2)CC1	ZINC000996669508	702970885	/nfs/dbraw/zinc/97/08/85/702970885.db2.gz	GKCPRTCAYJJVQD-GOSISDBHSA-N	2	0	331.504	1.958	20	30		EDEDRP
C[N@@H+]1CC[C@@H](CC(=O)N2CCC([NH2+]Cc3ccc(C#N)cc3)CC2)C1	ZINC000997188550	703478197	/nfs/dbraw/zinc/47/81/97/703478197.db2.gz	ZJFSTDOGJLNLMV-SFHVURJKSA-N	2	0	340.471	1.981	20	30		EDEDRP
C=CC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)CC1	ZINC000997229197	703504851	/nfs/dbraw/zinc/50/48/51/703504851.db2.gz	UOMUCKYHNBJFQY-PSPFXIJKSA-N	2	0	333.476	1.252	20	30		EDEDRP
CC#CC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2C[C@H]2c2cncn2C)CC1	ZINC000997304108	703563724	/nfs/dbraw/zinc/56/37/24/703563724.db2.gz	OTWLNNXKNHVHCX-DJIMGWMZSA-N	2	0	328.460	1.764	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)N2CCC([NH2+]Cc3cnoc3C)CC2)CC1	ZINC000997365837	703599418	/nfs/dbraw/zinc/59/94/18/703599418.db2.gz	VMKVHWIVQBZCNX-UHFFFAOYSA-N	2	0	344.459	1.409	20	30		EDEDRP
C#CCC[NH+]1CCC([C@H](C)NC(=O)C2CC[NH+](CC#C)CC2)CC1	ZINC000997873966	704778811	/nfs/dbraw/zinc/77/88/11/704778811.db2.gz	IKRKRHLZDSNHNG-KRWDZBQOSA-N	2	0	329.488	1.572	20	30		EDEDRP
C=CC[NH2+][C@H]1CN(C(=O)C23CC[NH+](CC2)C3)CC[C@H]1C(F)(F)F	ZINC000998305746	705709669	/nfs/dbraw/zinc/70/96/69/705709669.db2.gz	SHNVGDHDOYEOEW-OLZOCXBDSA-N	2	0	331.382	1.637	20	30		EDEDRP
C=C(Br)C[NH2+]C1CC(N(C)C(=O)[C@@H]2CCCC[N@@H+]2C)C1	ZINC000998993989	706411400	/nfs/dbraw/zinc/41/14/00/706411400.db2.gz	IPHHJDGQIPTNNK-RUXDESIVSA-N	2	0	344.297	1.958	20	30		EDEDRP
C[NH+](C)[C@@H](C(=O)N1CCC[C@H]([NH2+]Cc2ccc(C#N)cc2)C1)C1CC1	ZINC000999369064	706883042	/nfs/dbraw/zinc/88/30/42/706883042.db2.gz	IPNGRCXXCGGBQT-RBUKOAKNSA-N	2	0	340.471	1.979	20	30		EDEDRP
CN(C(=O)[C@H]1CC[N@H+](C)C1)C1CC([NH2+]Cc2ccccc2C#N)C1	ZINC000999835586	707470002	/nfs/dbraw/zinc/47/00/02/707470002.db2.gz	GUWYOHYEIOTKIS-AOCRQIFASA-N	2	0	326.444	1.589	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)N(C)[C@@H]2CC[N@H+](C[C@@H]3CCCCO3)C2)CC1	ZINC001033684361	708497164	/nfs/dbraw/zinc/49/71/64/708497164.db2.gz	NOXRDKGVOZPVDZ-MOPGFXCFSA-N	2	0	347.503	1.433	20	30		EDEDRP
CCN(C(=O)[C@@H]1CC[NH+](C)C1)[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2)C1	ZINC001034043560	709294573	/nfs/dbraw/zinc/29/45/73/709294573.db2.gz	WJPXJNRKAOJJOJ-RTBURBONSA-N	2	0	340.471	1.933	20	30		EDEDRP
C=C(C)CC[NH+]1CCC(NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)CC1	ZINC001003330753	710265304	/nfs/dbraw/zinc/26/53/04/710265304.db2.gz	CLTGNIHXTJPKJU-RMXPPQQLSA-N	2	0	333.476	1.396	20	30		EDEDRP
CC#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)C23CC[NH+](CC2)C3)CC1	ZINC001004599028	712043122	/nfs/dbraw/zinc/04/31/22/712043122.db2.gz	BSVOWRPSMILAMT-GOSISDBHSA-N	2	0	329.488	1.809	20	30		EDEDRP
C#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)C2CC[NH+](CC#C)CC2)CC1	ZINC001004619844	712080836	/nfs/dbraw/zinc/08/08/36/712080836.db2.gz	MJVGQZVKUUZIRX-HXUWFJFHSA-N	2	0	341.499	1.668	20	30		EDEDRP
C[C@@H](NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)[C@H](C)[NH3+]	ZINC000418703058	251388137	/nfs/dbraw/zinc/38/81/37/251388137.db2.gz	QMSXJEFHVDTLFD-LSDHHAIUSA-N	2	0	329.448	1.511	20	30		EDEDRP
N#CCCC[C@H]([NH3+])C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1	ZINC000424152934	252144933	/nfs/dbraw/zinc/14/49/33/252144933.db2.gz	JJZUQTNTVYZNTR-ROUUACIJSA-N	2	0	328.460	1.688	20	30		EDEDRP
COc1ccc([C@@H](C[NH+]2CCCC2)NC(=O)[C@H]([NH3+])CCCC#N)cc1	ZINC000424168974	252151732	/nfs/dbraw/zinc/15/17/32/252151732.db2.gz	HCMOUCLPRABOGC-QZTJIDSGSA-N	2	0	344.459	1.969	20	30		EDEDRP
C[NH+](C)CCCN(CCC[NH+](C)C)S(=O)(=O)c1ccc(C#N)o1	ZINC000286394104	266494688	/nfs/dbraw/zinc/49/46/88/266494688.db2.gz	DYCQJQXLSCMRKK-UHFFFAOYSA-N	2	0	342.465	1.045	20	30		EDEDRP
C[C@H](C(=O)Nc1ccccc1C#N)[N@H+](C)CCCN(C)CC[NH+](C)C	ZINC000289399816	267141140	/nfs/dbraw/zinc/14/11/40/267141140.db2.gz	KWJLCZSJGPWMQL-MRXNPFEDSA-N	2	0	345.491	1.701	20	30		EDEDRP
C[NH2+]CCCNC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1	ZINC000418281539	267346012	/nfs/dbraw/zinc/34/60/12/267346012.db2.gz	UYRNJCUZAOUKDD-UHFFFAOYSA-N	2	0	329.448	1.385	20	30		EDEDRP
COc1cc(C[N@@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)ccc1C#N	ZINC000414656141	447316572	/nfs/dbraw/zinc/31/65/72/447316572.db2.gz	MLXGMSLNOJFSIP-KRWDZBQOSA-N	2	0	342.443	1.211	20	30		EDEDRP
CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1cn(C)nc1C(F)(F)F	ZINC000160796982	441921486	/nfs/dbraw/zinc/92/14/86/441921486.db2.gz	HFFOIBBUXPPMHS-NSHDSACASA-N	2	0	332.374	1.328	20	30		EDEDRP
CCNC(NCc1ccc(CNC(NCC)=[NH+]CC)cc1)=[NH+]CC	ZINC000164298196	442193881	/nfs/dbraw/zinc/19/38/81/442193881.db2.gz	DFKLFWVWXRFHSR-UHFFFAOYSA-N	2	0	332.496	1.837	20	30		EDEDRP
C=C(C)C[NH+]1CCC(NC(=O)N2CC[N@@H+](C[C@@H](C)O)[C@H](C)C2)CC1	ZINC000180760016	442656160	/nfs/dbraw/zinc/65/61/60/442656160.db2.gz	BKRJYUBIRIUVBW-HZPDHXFCSA-N	2	0	338.496	1.123	20	30		EDEDRP
C[NH+]=C(NCC(=O)Nc1cccc(F)c1)N[C@H]1C[N@@H+](C2CC2)C[C@@H]1C	ZINC000261954540	443175642	/nfs/dbraw/zinc/17/56/42/443175642.db2.gz	IIRYOZWGBCHUGX-LRDDRELGSA-N	2	0	347.438	1.412	20	30		EDEDRP
C[NH+]=C(NCCn1cnc2ccccc21)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C	ZINC000262025583	443179967	/nfs/dbraw/zinc/17/99/67/443179967.db2.gz	ZQVYMJVUFNXRCB-WMLDXEAASA-N	2	0	340.475	1.684	20	30		EDEDRP
CC[NH+]=C(NCCc1ccncc1C)N1CC[C@H]([NH+]2CC=CC2)C1	ZINC000261629121	443161467	/nfs/dbraw/zinc/16/14/67/443161467.db2.gz	CGACNFZPZIUWJR-SFHVURJKSA-N	2	0	327.476	1.844	20	30		EDEDRP
CC[N@H+](CCNC(=[NH2+])NCCc1ccc(OC)c(OC)c1)C1CC1	ZINC000264230147	443255840	/nfs/dbraw/zinc/25/58/40/443255840.db2.gz	CEWKARYXDFMDPH-UHFFFAOYSA-N	2	0	334.464	1.635	20	30		EDEDRP
CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(OCCCOC)cc1	ZINC000285030968	443828901	/nfs/dbraw/zinc/82/89/01/443828901.db2.gz	JYSTZXPSYJSPID-QGZVFWFLSA-N	2	0	348.491	1.991	20	30		EDEDRP
CCOC(=O)N1CCC(NC(=[NH2+])NCC[N@@H+]2CCC[C@@H](C)C2)CC1	ZINC000303901209	444238194	/nfs/dbraw/zinc/23/81/94/444238194.db2.gz	SOALMWPDUCSPGX-CQSZACIVSA-N	2	0	339.484	1.244	20	30		EDEDRP
CCN(CCC#N)C(=O)CN(C)C1CC[NH+](C2CCOCC2)CC1	ZINC000363206346	445720452	/nfs/dbraw/zinc/72/04/52/445720452.db2.gz	HZTJIXQPOHYKKJ-UHFFFAOYSA-N	2	0	336.480	1.324	20	30		EDEDRP
CC[C@@H]([NH3+])CNC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1	ZINC000418737519	446660020	/nfs/dbraw/zinc/66/00/20/446660020.db2.gz	VSNZVIGCSJMCAO-QGZVFWFLSA-N	2	0	329.448	1.513	20	30		EDEDRP
C[N@H+](C[C@@H]1CC12CC[NH+](CC(=O)N[C@](C)(C#N)C1CC1)CC2)C1CC1	ZINC000371329366	446778562	/nfs/dbraw/zinc/77/85/62/446778562.db2.gz	HVOGZUMKPBNDJQ-QFBILLFUSA-N	2	0	344.503	1.991	20	30		EDEDRP
C=CC[NH+]1CCC(NC(=O)N2CCC[N@@H+](CC(C)(C)O)CC2)CC1	ZINC000368752472	447085674	/nfs/dbraw/zinc/08/56/74/447085674.db2.gz	ZUNBXKPQPNOKHA-UHFFFAOYSA-N	2	0	338.496	1.125	20	30		EDEDRP
N#Cc1ccc(CN2CC[C@H]([NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@@H]4C3)C2=O)cc1	ZINC000592470825	448851326	/nfs/dbraw/zinc/85/13/26/448851326.db2.gz	KGHZULWSBMHWGS-OKYOBFRVSA-N	2	0	338.455	1.637	20	30		EDEDRP
N#Cc1cccc(C[NH+]2CCC(NC(=O)C[C@H]3C[NH2+]CCO3)CC2)c1	ZINC000593919545	449287103	/nfs/dbraw/zinc/28/71/03/449287103.db2.gz	XWKOPKNBGOMNBQ-SFHVURJKSA-N	2	0	342.443	1.017	20	30		EDEDRP
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CCCC[NH2+]C1	ZINC000418367662	517904616	/nfs/dbraw/zinc/90/46/16/517904616.db2.gz	KYQJIGCECQCODJ-SFHVURJKSA-N	2	0	343.475	1.774	20	30		EDEDRP
CC[NH+]=C(NC[C@H](C)[N@@H+]1CCCC[C@@H]1C)N1CCN(C(C)=O)CC1	ZINC000263258151	535264454	/nfs/dbraw/zinc/26/44/54/535264454.db2.gz	RRHKXFNOAAUNNR-HOTGVXAUSA-N	2	0	337.512	1.379	20	30		EDEDRP
CC[NH+](CC)[C@H](C)CNC(=[NH2+])NCCc1ccc(OC)c(OC)c1	ZINC000264065615	535666722	/nfs/dbraw/zinc/66/67/22/535666722.db2.gz	BBCLQESHRRNVSP-CQSZACIVSA-N	2	0	336.480	1.881	20	30		EDEDRP
N#Cc1ccc(C[N@H+]2CCCN(C(=O)NC[C@H]3C[C@@H]([NH3+])C3)CC2)cc1	ZINC000892564481	591074326	/nfs/dbraw/zinc/07/43/26/591074326.db2.gz	HNVRCSSFLOOYCI-HDICACEKSA-N	2	0	341.459	1.513	20	30		EDEDRP
N#CC1CCC(C[N@@H+]2CC[C@H]3[C@@H](C2)NC(=O)N3C2CC[NH2+]CC2)CC1	ZINC000903459098	592171589	/nfs/dbraw/zinc/17/15/89/592171589.db2.gz	BGFNRUXWGQEABB-UQVLAFNGSA-N	2	0	345.491	1.536	20	30		EDEDRP
C#Cc1ccc(C[NH2+]CC2(N3CCOCC3)CC[NH+](C)CC2)cc1	ZINC000840954518	594832072	/nfs/dbraw/zinc/83/20/72/594832072.db2.gz	GDQPPQSOTZUJHZ-UHFFFAOYSA-N	2	0	327.472	1.554	20	30		EDEDRP
C[NH+](C)CCCNC(=S)NN=Cc1ccnn1-c1cc[nH+]cc1	ZINC000853306176	595731748	/nfs/dbraw/zinc/73/17/48/595731748.db2.gz	RRFASEXZYJKQDW-UHFFFAOYSA-N	2	0	331.449	1.017	20	30		EDEDRP
N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)NCc1ccc(CC[NH3+])cc1	ZINC000867964912	596636805	/nfs/dbraw/zinc/63/68/05/596636805.db2.gz	VFALMTWIJVYZRP-IBGZPJMESA-N	2	0	334.423	1.563	20	30		EDEDRP
C[NH+](C)C[C@@H]1CN(Cc2cc(C#N)cnc2Cl)C[C@H]1C[NH+](C)C	ZINC000877670071	597546631	/nfs/dbraw/zinc/54/66/31/597546631.db2.gz	HDPDUQIKBHDQBY-HZPDHXFCSA-N	2	0	335.883	1.778	20	30		EDEDRP
C[N@H+](CCNC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N)Cc1ccccc1	ZINC000884199730	598025648	/nfs/dbraw/zinc/02/56/48/598025648.db2.gz	IDIQOJUKBMNQHZ-TVRKMHQQSA-N	2	0	326.444	1.374	20	30		EDEDRP
C=C(C)C[N@H+]1CCC[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@H]1C	ZINC000993359892	696005839	/nfs/dbraw/zinc/00/58/39/696005839.db2.gz	DSEQIIMKZDBIDU-HZPDHXFCSA-N	2	0	333.480	1.604	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)NC2C[NH+](C[C@@H]3CC[C@@H]4C[C@@H]4C3)C2)CC1	ZINC001031434784	697101784	/nfs/dbraw/zinc/10/17/84/697101784.db2.gz	DZMJHBHVLUIJLC-NXHRZFHOSA-N	2	0	329.488	1.568	20	30		EDEDRP
CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](Cc2ccc(C#N)cc2)C1	ZINC001031666634	697450646	/nfs/dbraw/zinc/45/06/46/697450646.db2.gz	QUUCHXCXPBRWOD-LJQANCHMSA-N	2	0	340.471	1.979	20	30		EDEDRP
N#Cc1cccc(CN2CC(CNC(=O)[C@@H]3C[NH+]4CCC3CC4)C2)c1	ZINC001031675380	697485115	/nfs/dbraw/zinc/48/51/15/697485115.db2.gz	GKPSQOIDMGJBMT-LJQANCHMSA-N	2	0	338.455	1.448	20	30		EDEDRP
C[C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1[NH2+]Cc1ccc(C#N)cc1F	ZINC000939753912	699903718	/nfs/dbraw/zinc/90/37/18/699903718.db2.gz	JMCSBHZZLRPGNO-KSSFIOAISA-N	2	0	344.434	1.730	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)N2C[C@H](C)[C@H]([NH2+]Cc3ocnc3C)C2)CC1	ZINC000939807868	699956820	/nfs/dbraw/zinc/95/68/20/699956820.db2.gz	AQBYIRDVDIULDD-WMLDXEAASA-N	2	0	344.459	1.265	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)NCC2C[NH+](CCC3CCOCC3)C2)CC1	ZINC001032207442	702190155	/nfs/dbraw/zinc/19/01/55/702190155.db2.gz	RIMZMODOGOKKCA-UHFFFAOYSA-N	2	0	347.503	1.196	20	30		EDEDRP
CC#CCN1CC[NH+](C2CCC(NC(=O)[C@H]3CCC[N@@H+]3C)CC2)CC1	ZINC000996766318	703057920	/nfs/dbraw/zinc/05/79/20/703057920.db2.gz	PTUNZDPGMJLPJZ-CTWPCTMYSA-N	2	0	346.519	1.149	20	30		EDEDRP
C[C@@H]1[C@H](C(=O)N(C)[C@H]2CC[NH+](Cc3ccc(C#N)cc3)C2)CC[N@@H+]1C	ZINC001033093755	704171214	/nfs/dbraw/zinc/17/12/14/704171214.db2.gz	DINKBNICMRHREO-AYOQOUSVSA-N	2	0	340.471	1.931	20	30		EDEDRP
C=CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+]4CCC[C@@H]4CO3)CC[C@@H]2C1	ZINC000946597684	704292748	/nfs/dbraw/zinc/29/27/48/704292748.db2.gz	GIRMKLKTDZJNNX-XDNAFOTISA-N	2	0	333.476	1.206	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)N(CC)[C@H]2CCC[N@H+](CCCO)CC2)CC1	ZINC000998197172	705502048	/nfs/dbraw/zinc/50/20/48/705502048.db2.gz	KFCLGKAPYGTTHB-IBGZPJMESA-N	2	0	349.519	1.417	20	30		EDEDRP
C#CC[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)CC[C@@H]1C(F)(F)F	ZINC000998264901	705631236	/nfs/dbraw/zinc/63/12/36/705631236.db2.gz	COUMYOCCDBJICI-UONOGXRCSA-N	2	0	331.382	1.473	20	30		EDEDRP
C[NH+](C)[C@H](C(=O)N1CCC[C@H]([NH2+]Cc2ccccc2C#N)C1)C1CC1	ZINC000999372141	706886360	/nfs/dbraw/zinc/88/63/60/706886360.db2.gz	OGTMFXVQRJJPDF-OALUTQOASA-N	2	0	340.471	1.979	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)N(C)C2CC([NH2+]CC[C@H]3CCOC3)C2)CC1	ZINC000999869754	707511949	/nfs/dbraw/zinc/51/19/49/707511949.db2.gz	GQZQOUMQJBLWHP-IVMQYODDSA-N	2	0	347.503	1.337	20	30		EDEDRP
C[C@H]1CC[N@H+](CC(=O)N(C)[C@@H]2CC[NH+](Cc3cccc(C#N)c3)C2)C1	ZINC001033421499	707834762	/nfs/dbraw/zinc/83/47/62/707834762.db2.gz	YPYSGXNRMXMGBZ-QFBILLFUSA-N	2	0	340.471	1.933	20	30		EDEDRP
C[N@H+](CCNC(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)C1CC1	ZINC000329300017	282379609	/nfs/dbraw/zinc/37/96/09/282379609.db2.gz	VISXOZNPZVLVRU-IAGOWNOFSA-N	2	0	338.496	1.352	20	30		EDEDRP
C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2CC(=O)Nc1ccc(C#N)cc1	ZINC000374429065	157288274	/nfs/dbraw/zinc/28/82/74/157288274.db2.gz	NXNGOINGTFHDAJ-FGTMMUONSA-N	2	0	342.443	1.680	20	30		EDEDRP
CC[NH+](CC)CCNC(=[NH2+])N1CCN(C(=O)OC(C)(C)C)CC1	ZINC000104152127	441190128	/nfs/dbraw/zinc/19/01/28/441190128.db2.gz	KLFYYDZNPRUPNP-UHFFFAOYSA-N	2	0	327.473	1.196	20	30		EDEDRP
[NH2+]=C(NCCC[NH+]1CCC(O)CC1)N[C@@H]1CCOc2ccccc21	ZINC000083031564	441347685	/nfs/dbraw/zinc/34/76/85/441347685.db2.gz	HLUCOBAESMIYSL-MRXNPFEDSA-N	2	0	332.448	1.261	20	30		EDEDRP
C[NH+]=C(NC[C@@H]1C[N@H+](C)CCN1C)N[C@H](C)c1cc2ccccc2o1	ZINC000088806241	441524511	/nfs/dbraw/zinc/52/45/11/441524511.db2.gz	UPOUZKPIFXUTLB-GDBMZVCRSA-N	2	0	343.475	1.905	20	30		EDEDRP
CC[NH+]=C(NCc1ccc2c(c1)OCO2)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C	ZINC000261953260	443175559	/nfs/dbraw/zinc/17/55/59/443175559.db2.gz	IANWEXROOCHJIU-CJNGLKHVSA-N	2	0	344.459	1.953	20	30		EDEDRP
CC[NH+](CC)CCOc1ccc(CNC2=[NH+]CCN2C)cc1OC	ZINC000262477838	443196764	/nfs/dbraw/zinc/19/67/64/443196764.db2.gz	CLRVFSZHTNHDHT-UHFFFAOYSA-N	2	0	334.464	1.807	20	30		EDEDRP
CC/[NH+]=C(/NCc1cn2ccsc2n1)N[C@H]1C[N@@H+](C2CC2)C[C@@H]1C	ZINC000261975461	443177684	/nfs/dbraw/zinc/17/76/84/443177684.db2.gz	NOYNXPIURONBFS-WFASDCNBSA-N	2	0	346.504	1.934	20	30		EDEDRP
Cn1cc(C[NH2+]Cc2ccc(CN3CC[NH+](C)CC3)cc2)cc1C#N	ZINC000190803828	443186398	/nfs/dbraw/zinc/18/63/98/443186398.db2.gz	NPDBJESUEJFFAJ-UHFFFAOYSA-N	2	0	337.471	1.934	20	30		EDEDRP
CC(C)[C@H](CNC(=[NH2+])N1CCN(c2ncccn2)CC1)[NH+]1CCCC1	ZINC000264063577	443247534	/nfs/dbraw/zinc/24/75/34/443247534.db2.gz	DLFAEGPTWBPKPN-INIZCTEOSA-N	2	0	345.495	1.034	20	30		EDEDRP
CCCCCCNC(=[NH2+])NCc1ccc(N2CC[NH+](C)CC2)nc1	ZINC000264141427	443252973	/nfs/dbraw/zinc/25/29/73/443252973.db2.gz	WPOGDZKRRJLMEC-UHFFFAOYSA-N	2	0	332.496	1.818	20	30		EDEDRP
CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H](O)c1ccc(Cl)c(F)c1	ZINC000270579599	443476392	/nfs/dbraw/zinc/47/63/92/443476392.db2.gz	PSFWVCBVQHXMMQ-SWLSCSKDSA-N	2	0	342.846	1.901	20	30		EDEDRP
C=CC[NH+](CC=C)[C@H](CNC(=O)NC[C@](C)(O)C[NH+](C)C)C(C)C	ZINC000269935416	443456170	/nfs/dbraw/zinc/45/61/70/443456170.db2.gz	VGFKEDSOHZJZNQ-AEFFLSMTSA-N	2	0	340.512	1.297	20	30		EDEDRP
C=CCCOCC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1	ZINC000623110510	450408416	/nfs/dbraw/zinc/40/84/16/450408416.db2.gz	HLICKYSSZLFCRR-UHFFFAOYSA-N	2	0	332.448	1.303	20	30		EDEDRP
C#CC[N@H+](C)CCCNC(=O)c1cccc(CN2CC[NH+](C)CC2)c1	ZINC000294073438	444100522	/nfs/dbraw/zinc/10/05/22/444100522.db2.gz	WCZMISLQXZRYPG-UHFFFAOYSA-N	2	0	342.487	1.119	20	30		EDEDRP
CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccnc(-n2ccnc2)c1	ZINC000303972986	444238266	/nfs/dbraw/zinc/23/82/66/444238266.db2.gz	GGPNPNHEARHLHW-OAHLLOKOSA-N	2	0	327.436	1.156	20	30		EDEDRP
CN1CC[C@H]([NH+]2CCC(NC(=O)[C@H]3CCC[N@@H+]3C3CC3)CC2)C1=O	ZINC000329174884	444492401	/nfs/dbraw/zinc/49/24/01/444492401.db2.gz	LXAVTBPTHUCJLW-CVEARBPZSA-N	2	0	334.464	1.265	20	30		EDEDRP
C[C@@H]1C[C@H](NC(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)CC[N@@H+]1C	ZINC000329770580	444710752	/nfs/dbraw/zinc/71/07/52/444710752.db2.gz	IYLMFKLOKJKZAX-BFYDXBDKSA-N	2	0	338.496	1.474	20	30		EDEDRP
CCN(CCC#N)C(=O)C[NH+]1CCC(CC[NH+]2CCOCC2)CC1	ZINC000363640253	445862946	/nfs/dbraw/zinc/86/29/46/445862946.db2.gz	WOEPKGLPAZXUHM-UHFFFAOYSA-N	2	0	336.480	1.183	20	30		EDEDRP
Cn1cc(C[NH2+]CCN2CC[N@H+](C)C[C@H]2c2ccccc2)cc1C#N	ZINC000365084467	446014574	/nfs/dbraw/zinc/01/45/74/446014574.db2.gz	ITKYHCLWKQOFAA-FQEVSTJZSA-N	2	0	337.471	1.975	20	30		EDEDRP
CC(C)[C@@H]([NH3+])CNC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1	ZINC000418397145	446528358	/nfs/dbraw/zinc/52/83/58/446528358.db2.gz	DBGXYEXEVGXIBO-KRWDZBQOSA-N	2	0	331.464	1.615	20	30		EDEDRP
C=C[C@@H]1OCCC[C@H]1C(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@H+]1CC	ZINC000424498454	446885443	/nfs/dbraw/zinc/88/54/43/446885443.db2.gz	AXXHZYDAYNGCEX-KURKYZTESA-N	2	0	337.508	1.842	20	30		EDEDRP
CCN(C[C@H](C)C#N)C(=O)C[NH2+]C(C)(C)CN1CC[NH+](CC)CC1	ZINC000451975872	447796057	/nfs/dbraw/zinc/79/60/57/447796057.db2.gz	ADCRDOMFHZBKFD-MRXNPFEDSA-N	2	0	337.512	1.000	20	30		EDEDRP
N#CCc1ccc(OC[C@H](O)C[NH2+][C@H]2CCN3CCCC[C@H]23)cc1	ZINC000579111147	448717659	/nfs/dbraw/zinc/71/76/59/448717659.db2.gz	URULQHNJVCNTQO-NZSAHSFTSA-N	2	0	329.444	1.709	20	30		EDEDRP
C[NH+]1CCC2(CC1)C[N@H+](CCC(=O)Nc1ccc(C#N)cc1)CCO2	ZINC000592183759	448726484	/nfs/dbraw/zinc/72/64/84/448726484.db2.gz	BKEYCQVJXLHORB-UHFFFAOYSA-N	2	0	342.443	1.683	20	30		EDEDRP
N#Cc1cccc(C[NH+]2CCC(NC(=O)N3CC[NH2+]CC3)CC2)c1	ZINC000593721617	449160413	/nfs/dbraw/zinc/16/04/13/449160413.db2.gz	QYXVLKVYUZMLEA-UHFFFAOYSA-N	2	0	327.432	1.137	20	30		EDEDRP
C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)[C@H]([NH3+])CCCCC#N)CC1	ZINC000594437021	449516202	/nfs/dbraw/zinc/51/62/02/449516202.db2.gz	SHXVGJYNNMGKBP-IAGOWNOFSA-N	2	0	335.496	1.026	20	30		EDEDRP
N#CCCCC[C@H]([NH3+])C(=O)NC1CC[NH+](Cc2cccnc2)CC1	ZINC000594439009	449518656	/nfs/dbraw/zinc/51/86/56/449518656.db2.gz	YMCQLLJMUWVCOT-KRWDZBQOSA-N	2	0	329.448	1.573	20	30		EDEDRP
C[C@@H](CO)C1CC[NH+](CC#CC[NH+]2CCC([C@@H](C)CO)CC2)CC1	ZINC000649799421	452265033	/nfs/dbraw/zinc/26/50/33/452265033.db2.gz	WSYRKHYUAQOVKU-ROUUACIJSA-N	2	0	336.520	1.671	20	30		EDEDRP
C=CCN1CC[C@H]([N@@H+](C)Cc2ccc(OCC[NH+](C)C)cc2)C1=O	ZINC000684966869	487201889	/nfs/dbraw/zinc/20/18/89/487201889.db2.gz	PMQMKBNAYZUSFZ-SFHVURJKSA-N	2	0	331.460	1.846	20	30		EDEDRP
C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCO[C@H]([C@@H](C)[NH3+])C1)C(C)C	ZINC000669385715	486021644	/nfs/dbraw/zinc/02/16/44/486021644.db2.gz	PSTXFPGJPAKTCU-ZACQAIPSSA-N	2	0	338.496	1.443	20	30		EDEDRP
CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](C)N1CCc2sccc2C1	ZINC000104173572	529073195	/nfs/dbraw/zinc/07/31/95/529073195.db2.gz	UBSLUSVYDSFKEK-GDBMZVCRSA-N	2	0	349.548	1.883	20	30		EDEDRP
CCN1CC[NH+](CCCCNC(=[NH2+])Nc2ccc(OC)cc2)CC1	ZINC000264105504	535686437	/nfs/dbraw/zinc/68/64/37/535686437.db2.gz	PIDNUFGSGGEQBR-UHFFFAOYSA-N	2	0	333.480	1.840	20	30		EDEDRP
C#CCN1CCC[C@H]1C(=O)Nc1ccc(C(=O)NCC[NH+](C)C)cc1	ZINC000732058488	578689350	/nfs/dbraw/zinc/68/93/50/578689350.db2.gz	ZOXHCBQXMGFBGZ-KRWDZBQOSA-N	2	0	342.443	1.014	20	30		EDEDRP
C[NH+]1CCN(c2ccc(C=NNC3=[NH+][C@H]4CCCC[C@@H]4N3)cc2)CC1	ZINC000771557717	580288934	/nfs/dbraw/zinc/28/89/34/580288934.db2.gz	LOMVBJCVCHMDFO-ROUUACIJSA-N	2	0	340.475	1.632	20	30		EDEDRP
C[C@H]1C[C@H]([NH3+])CN1C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000892233159	590876397	/nfs/dbraw/zinc/87/63/97/590876397.db2.gz	SXNQLABRYXIQTG-YOEHRIQHSA-N	2	0	341.459	1.654	20	30		EDEDRP
N#C[C@H]1C[NH2+]CC12CC(c1nc([C@H]3CN4CCCC[C@H]4CO3)no1)C2	ZINC000904114143	592435416	/nfs/dbraw/zinc/43/54/16/592435416.db2.gz	LHNNJVRAYZWMAO-WPMQWBBHSA-N	2	0	343.431	1.602	20	30		EDEDRP
CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]C[C@@H](O)CC3(C#N)CC3)C2)[C@H]1C(C)C	ZINC000905501897	592546031	/nfs/dbraw/zinc/54/60/31/592546031.db2.gz	IENXDIIFJUSBRY-BMGDNIKJSA-N	2	0	335.492	1.501	20	30		EDEDRP
COc1cc(C#N)ccc1C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1	ZINC000827892583	594298684	/nfs/dbraw/zinc/29/86/84/594298684.db2.gz	MYEPMEWOZCANTG-HZPDHXFCSA-N	2	0	344.459	1.378	20	30		EDEDRP
COc1ccc(C(C)=NNC2=[NH+]CCN2)cc1C[NH+]1CCCCC1	ZINC000841660734	594931857	/nfs/dbraw/zinc/93/18/57/594931857.db2.gz	HFQKKURNDMUTNX-UHFFFAOYSA-N	2	0	329.448	1.954	20	30		EDEDRP
Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)C#CC1CC[NH2+]CC1	ZINC000852871761	595591703	/nfs/dbraw/zinc/59/17/03/595591703.db2.gz	BYBGJCWWBDYLOT-UHFFFAOYSA-N	2	0	340.471	1.688	20	30		EDEDRP
C=C(C)[C@H](CC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)OCC	ZINC000870021133	596711896	/nfs/dbraw/zinc/71/18/96/596711896.db2.gz	AURBFMGNBGBCDC-ZACQAIPSSA-N	2	0	325.497	1.556	20	30		EDEDRP
C[NH+](C)C[C@@H]1CN(C(=O)N[C@H]2CC[C@@H](CC#N)C2)C[C@H]1C[NH+](C)C	ZINC000875636523	596928734	/nfs/dbraw/zinc/92/87/34/596928734.db2.gz	LWORQKDRTQCNOE-HZMVEIRTSA-N	2	0	335.496	1.450	20	30		EDEDRP
N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1	ZINC000876771718	597333480	/nfs/dbraw/zinc/33/34/80/597333480.db2.gz	XGORVIIJKXVSQG-LPHOPBHVSA-N	2	0	338.455	1.689	20	30		EDEDRP
CC[N@H+](C)C[C@H]1CCN(C(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)C1	ZINC000876774638	597334594	/nfs/dbraw/zinc/33/45/94/597334594.db2.gz	BOEUCONMILYDQN-QAPCUYQASA-N	2	0	326.444	1.545	20	30		EDEDRP
C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N	ZINC000884196221	598023865	/nfs/dbraw/zinc/02/38/65/598023865.db2.gz	KVYBDYVNROPEJN-SFANZJOMSA-N	2	0	340.471	1.415	20	30		EDEDRP
CC[NH+]=C(N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)N1CC[C@@H]([NH+]2CC=CC2)C1	ZINC000262375970	695634641	/nfs/dbraw/zinc/63/46/41/695634641.db2.gz	JNWPNLUXBYCOMF-TWMKSMIVSA-N	2	0	332.492	1.712	20	30		EDEDRP
C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@@H](C)C1	ZINC000943518993	698434650	/nfs/dbraw/zinc/43/46/50/698434650.db2.gz	VFYZODYAXKPZLY-RDJZCZTQSA-N	2	0	333.480	1.461	20	30		EDEDRP
C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1[NH2+]Cc1ccc(C#N)s1	ZINC000939753896	699903953	/nfs/dbraw/zinc/90/39/53/699903953.db2.gz	JGJTYTAQVMFIIG-CZUORRHYSA-N	2	0	332.473	1.652	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)N2C[C@H]([NH2+]Cc3cc(C)no3)[C@@H](C)C2)CC1	ZINC000939811820	699959725	/nfs/dbraw/zinc/95/97/25/699959725.db2.gz	UYDDAAKQNLEAHC-KSSFIOAISA-N	2	0	344.459	1.265	20	30		EDEDRP
C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@@H](C)C1	ZINC000942058644	702509556	/nfs/dbraw/zinc/50/95/56/702509556.db2.gz	ZRPYBKHMWATILL-HOTGVXAUSA-N	2	0	333.480	1.461	20	30		EDEDRP
C=C(C)C[N@@H+]1CC[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@H](C)C1	ZINC000942058645	702510132	/nfs/dbraw/zinc/51/01/32/702510132.db2.gz	ZRPYBKHMWATILL-HZPDHXFCSA-N	2	0	333.480	1.461	20	30		EDEDRP
CC#CCN1CC[NH+](C2CCC(NC(=O)[C@H]3CC[N@H+](C)C3)CC2)CC1	ZINC000996802373	703088400	/nfs/dbraw/zinc/08/84/00/703088400.db2.gz	MSMKEHCGAYOYGA-VIQWUECVSA-N	2	0	346.519	1.006	20	30		EDEDRP
C[C@@H]1CC[N@H+](CC(=O)N2CCC([NH2+]Cc3ccc(C#N)cc3)CC2)C1	ZINC000997007897	703265000	/nfs/dbraw/zinc/26/50/00/703265000.db2.gz	ROQAMVHKSPSFEZ-MRXNPFEDSA-N	2	0	340.471	1.981	20	30		EDEDRP
C=C(Br)C[NH2+]C1CCN(C(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)CC1	ZINC000997003509	703267436	/nfs/dbraw/zinc/26/74/36/703267436.db2.gz	AIYGTTCUDWTRNP-BXUZGUMPSA-N	2	0	344.297	1.673	20	30		EDEDRP
C[N@@H+]1CC[C@@H](CC(=O)N2CCC([NH2+]Cc3ccccc3C#N)CC2)C1	ZINC000997187973	703477713	/nfs/dbraw/zinc/47/77/13/703477713.db2.gz	YFSRPIKYOLIWDI-INIZCTEOSA-N	2	0	340.471	1.981	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)NC2CC[NH+](CC[C@H]3CCCO3)CC2)CC1	ZINC001004200542	703926988	/nfs/dbraw/zinc/92/69/88/703926988.db2.gz	CMMKLNICSZOHMN-LJQANCHMSA-N	2	0	347.503	1.481	20	30		EDEDRP
C[C@@H]1C[N@H+](Cc2cccc(C#N)c2)CC[C@@H]1NC(=O)C[NH+]1CCCC1	ZINC000944945213	704798228	/nfs/dbraw/zinc/79/82/28/704798228.db2.gz	QABVQTJNNUMJAQ-APWZRJJASA-N	2	0	340.471	1.981	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)N(CC)[C@@H]2CCC[N@H+](C[C@@H](C)O)CC2)CC1	ZINC000998201503	705512719	/nfs/dbraw/zinc/51/27/19/705512719.db2.gz	ZCGZZSYFHDVACH-IEBWSBKVSA-N	2	0	349.519	1.415	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)N(CC)[C@H]2CCC[N@H+](C[C@@H](C)O)CC2)CC1	ZINC000998201505	705512980	/nfs/dbraw/zinc/51/29/80/705512980.db2.gz	ZCGZZSYFHDVACH-MJGOQNOKSA-N	2	0	349.519	1.415	20	30		EDEDRP
C=CCC[NH+]1CCC(N(C)C(=O)c2ccn(CC[NH+](C)C)n2)CC1	ZINC001005411231	708925966	/nfs/dbraw/zinc/92/59/66/708925966.db2.gz	XAFDHKDZMNOHFU-UHFFFAOYSA-N	2	0	333.480	1.557	20	30		EDEDRP
CC#CC[N@H+]1CC[C@H](N(CC)C(=O)c2cnn(CC[NH+](C)C)c2)C1	ZINC001033983093	709191891	/nfs/dbraw/zinc/19/18/91/709191891.db2.gz	MGKLJRZFCPKNAJ-KRWDZBQOSA-N	2	0	331.464	1.004	20	30		EDEDRP
CC#CC[NH+]1CCC(NC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)CC1	ZINC001003010366	709781054	/nfs/dbraw/zinc/78/10/54/709781054.db2.gz	FVPUXVHNIBXENN-GOSISDBHSA-N	2	0	333.476	1.234	20	30		EDEDRP
C#CCN1CCC[C@H]1C(=O)NC1CC[NH+](CCOC2CCC2)CC1	ZINC001003056902	709906434	/nfs/dbraw/zinc/90/64/34/709906434.db2.gz	VURTZBXSOXKQPQ-SFHVURJKSA-N	2	0	333.476	1.234	20	30		EDEDRP
C#CC[N@@H+]1C[C@@H]2CCN(C(=O)C34CCC[NH+](CCC3)C4)CC[C@@H]2C1	ZINC000946638394	712106763	/nfs/dbraw/zinc/10/67/63/712106763.db2.gz	HLSSMMFIBIOECP-HDICACEKSA-N	2	0	329.488	1.666	20	30		EDEDRP
COc1ccc([C@@H]2CC[NH2+]C[C@H]2NC(=O)[C@H]([NH3+])CCCC#N)cc1	ZINC000424154626	252148101	/nfs/dbraw/zinc/14/81/01/252148101.db2.gz	MSHOMHAMWWZWBY-GVDBMIGSSA-N	2	0	330.432	1.278	20	30		EDEDRP
C[C@@H]1CN(C(=O)Cc2ccc(C#N)cc2)CCN1C1CC[NH+](C)CC1	ZINC000408077694	158259050	/nfs/dbraw/zinc/25/90/50/158259050.db2.gz	AYKWKMRAJMEKSQ-MRXNPFEDSA-N	2	0	340.471	1.728	20	30		EDEDRP
C[NH+]1CCC([C@@H]2CC[N@H+](C[C@@H]3CNc4c(C#N)cnn4C3)C2)CC1	ZINC000518188170	267334501	/nfs/dbraw/zinc/33/45/01/267334501.db2.gz	ZPZFEBIXWGXPHM-GOEBONIOSA-N	2	0	328.464	1.460	20	30		EDEDRP
CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H]1CCCN(c2ncccn2)C1	ZINC000093887805	441900144	/nfs/dbraw/zinc/90/01/44/441900144.db2.gz	JTXYVNXHNDAIBL-HOTGVXAUSA-N	2	0	345.495	1.082	20	30		EDEDRP
C=C(C)CN(CC)C(=O)CN1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1	ZINC000119704729	441947546	/nfs/dbraw/zinc/94/75/46/441947546.db2.gz	HVTJVJASMQQGMH-DFNIBXOVSA-N	2	0	348.535	1.654	20	30		EDEDRP
N#Cc1ccc(NC(=O)CC[N@@H+]2CC[C@@H](CN3CCOCC3)C2)cc1	ZINC000129136434	442302612	/nfs/dbraw/zinc/30/26/12/442302612.db2.gz	ZDTKZSMURIMKHY-QGZVFWFLSA-N	2	0	342.443	1.541	20	30		EDEDRP
N#Cc1ccc([C@@H](O)C[NH+]2CCC(C[NH+]3CCOCC3)CC2)cc1	ZINC000268725314	443089354	/nfs/dbraw/zinc/08/93/54/443089354.db2.gz	WKSBCXZTGAWAME-IBGZPJMESA-N	2	0	329.444	1.636	20	30		EDEDRP
C[C@@H]1C[N@@H+](Cc2ccc(CNC(=[NH2+])N3CCOCC3)cc2)C[C@H](C)O1	ZINC000264113967	443249889	/nfs/dbraw/zinc/24/98/89/443249889.db2.gz	PMCRNONIRHFPPZ-IYBDPMFKSA-N	2	0	346.475	1.443	20	30		EDEDRP
CC[N@H+](CC(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1)C1CC1	ZINC000269679854	443393381	/nfs/dbraw/zinc/39/33/81/443393381.db2.gz	KWNQDFCTDWRYCW-UHFFFAOYSA-N	2	0	328.460	1.933	20	30		EDEDRP
C=CC[NH+](CC=C)[C@H](CNC(=O)C1(COC)CC[NH2+]CC1)C(C)C	ZINC000279957790	443649857	/nfs/dbraw/zinc/64/98/57/443649857.db2.gz	USEDTPOEEUJSDA-QGZVFWFLSA-N	2	0	337.508	1.817	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)CC1	ZINC000299157238	443970431	/nfs/dbraw/zinc/97/04/31/443970431.db2.gz	PLJNCFGTCCGPLH-KRWDZBQOSA-N	2	0	329.444	1.878	20	30		EDEDRP
C#CC[N@H+](C)CCCNC(=O)NCCC[NH+]1CCc2ccccc2C1	ZINC000296653796	444245358	/nfs/dbraw/zinc/24/53/58/444245358.db2.gz	UACSIDATXLNQIB-UHFFFAOYSA-N	2	0	342.487	1.689	20	30		EDEDRP
N#Cc1cccc(C[N@H+]2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)c1	ZINC000325808320	444369556	/nfs/dbraw/zinc/36/95/56/444369556.db2.gz	OWSBAAKBNPENLZ-MSOLQXFVSA-N	2	0	326.444	1.638	20	30		EDEDRP
CN1CCO[C@@H]2CCN(C(=O)NC3CC(C)(C)[NH2+]C(C)(C)C3)C[C@H]21	ZINC000328872139	444383631	/nfs/dbraw/zinc/38/36/31/444383631.db2.gz	IPLSGHLXAQVVQN-HUUCEWRRSA-N	2	0	338.496	1.615	20	30		EDEDRP
CC[C@@]1(CO)CCC[NH+](CC#CC[N@H+]2CCC[C@@](CC)(CO)C2)C1	ZINC000342150654	444536173	/nfs/dbraw/zinc/53/61/73/444536173.db2.gz	AVSMKLFSTLUBGJ-WOJBJXKFSA-N	2	0	336.520	1.959	20	30		EDEDRP
C[NH+](C)[C@@H]1CCN(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)C1	ZINC000330233796	444899898	/nfs/dbraw/zinc/89/98/98/444899898.db2.gz	SHQPOHSLLAPDGP-ZACQAIPSSA-N	2	0	338.496	1.304	20	30		EDEDRP
C=C(C)C[NH+]1CCC(NC(=O)NCC2(COC)CC[NH2+]CC2)CC1	ZINC000417532280	446362672	/nfs/dbraw/zinc/36/26/72/446362672.db2.gz	FBJAUDLHEAKOGN-UHFFFAOYSA-N	2	0	338.496	1.342	20	30		EDEDRP
C[C@H](C(=O)N(C)CCC#N)[NH+]1CCC2(C[C@H]2C[N@H+](C)C2CC2)CC1	ZINC000367309814	446536058	/nfs/dbraw/zinc/53/60/58/446536058.db2.gz	KYGHXLPUWHLENS-CVEARBPZSA-N	2	0	332.492	1.943	20	30		EDEDRP
C[NH+](C)C1(CNc2ccc(C#N)c(NCC3([NH+](C)C)CC3)n2)CC1	ZINC000419009469	446863943	/nfs/dbraw/zinc/86/39/43/446863943.db2.gz	NKBNWYWSQISGJK-UHFFFAOYSA-N	2	0	328.464	1.965	20	30		EDEDRP
C#CCNC(=O)CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(C)s2)C1	ZINC000491475133	448036911	/nfs/dbraw/zinc/03/69/11/448036911.db2.gz	TYBDHUYMUYMEPN-MRXNPFEDSA-N	2	0	333.501	1.950	20	30		EDEDRP
CC(C)[C@@H]1C[N@H+](C)CCN1CC#CCN1CC[NH+](C)C[C@@H]1C(C)C	ZINC000579584688	448827683	/nfs/dbraw/zinc/82/76/83/448827683.db2.gz	JPXJRJWQGXLDGA-BGYRXZFFSA-N	2	0	334.552	1.534	20	30		EDEDRP
CC[NH2+]CCCNC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000593712147	449156626	/nfs/dbraw/zinc/15/66/26/449156626.db2.gz	ZZKNHXRPWDICTF-UHFFFAOYSA-N	2	0	343.475	1.821	20	30		EDEDRP
CC[NH+]1CCC(N2CCC[N@H+](C[C@@H](O)CC(C)(C)C#N)CC2)CC1	ZINC000598621016	449499061	/nfs/dbraw/zinc/49/90/61/449499061.db2.gz	DHUAWYGEGJIAKH-SFHVURJKSA-N	2	0	336.524	1.779	20	30		EDEDRP
Cc1cc(N(C)CC2C[NH+](C)C2)c(C#N)c(N(C)CC2C[NH+](C)C2)n1	ZINC000596454920	449510787	/nfs/dbraw/zinc/51/07/87/449510787.db2.gz	YBJOKHQTFOQHGQ-UHFFFAOYSA-N	2	0	342.491	1.257	20	30		EDEDRP
C=CC[C@H]1CCC[NH+](CC(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)C1	ZINC000661376367	453802708	/nfs/dbraw/zinc/80/27/08/453802708.db2.gz	BFWNSJHDRCCECL-ROUUACIJSA-N	2	0	337.508	1.748	20	30		EDEDRP
CCC[N@@H+]1CC[C@H](CNC(=[NH2+])NCc2ccc(OC)c(OC)c2)C1	ZINC000264070985	534948982	/nfs/dbraw/zinc/94/89/82/534948982.db2.gz	DDQPEXJBIISTAN-OAHLLOKOSA-N	2	0	334.464	1.840	20	30		EDEDRP
CN1CCC([NH+]2CCC(CC[N@H+](C)CC(=O)NCCC#N)CC2)CC1	ZINC000750835251	579783256	/nfs/dbraw/zinc/78/32/56/579783256.db2.gz	LCSXTNSWTSXVHJ-UHFFFAOYSA-N	2	0	349.523	1.144	20	30		EDEDRP
C=C(C[NH+](C)C)C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1	ZINC000764009791	580110907	/nfs/dbraw/zinc/11/09/07/580110907.db2.gz	KFZFSPZJPHJQRY-UHFFFAOYSA-N	2	0	326.444	1.710	20	30		EDEDRP
CN1CCN(C(=O)CC2CCN(Cc3csc(C#N)c3)CC2)CC1	ZINC000891948500	590702122	/nfs/dbraw/zinc/70/21/22/590702122.db2.gz	AOLZXVCZTHUAJL-UHFFFAOYSA-N	2	0	346.500	1.996	20	30		EDEDRP
C=CCS(=O)(=O)CC[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21	ZINC000817921879	593649066	/nfs/dbraw/zinc/64/90/66/593649066.db2.gz	JZQFHSVIHRPRJX-DOTOQJQBSA-N	2	0	336.457	1.433	20	30		EDEDRP
C[C@@H](NN=Cc1cnc(N2CCN(C)CC2)nc1)c1ccncc1	ZINC000819816913	593770772	/nfs/dbraw/zinc/77/07/72/593770772.db2.gz	RXGIBPHJXKLGRP-CQSZACIVSA-N	2	0	325.420	1.308	20	30		EDEDRP
C=C(C[NH+](C)C)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1OCC	ZINC000840517466	595258578	/nfs/dbraw/zinc/25/85/78/595258578.db2.gz	LMDQDZFWOAACRD-RTBURBONSA-N	2	0	345.487	1.758	20	30		EDEDRP
C#CCC[NH+]1CCC(NC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)CC1	ZINC000845592841	595522899	/nfs/dbraw/zinc/52/28/99/595522899.db2.gz	QLJPRFHUZKUFPR-MOPGFXCFSA-N	2	0	347.503	1.337	20	30		EDEDRP
CCOCCC[N@@H+]1CC[C@H](NC(=O)C#CC2CC[NH2+]CC2)[C@@H](C)C1	ZINC000852868268	595587658	/nfs/dbraw/zinc/58/76/58/595587658.db2.gz	BPYDJEZCLDHXDD-WMZOPIPTSA-N	2	0	335.492	1.243	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@@H+]2Cc2ccccc2)CC1	ZINC000856355494	595962677	/nfs/dbraw/zinc/96/26/77/595962677.db2.gz	RYECRTDLARKUBU-IBGZPJMESA-N	2	0	325.456	1.722	20	30		EDEDRP
Cc1ccc(C[N@@H+]2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)cc1C#N	ZINC000866711336	596305146	/nfs/dbraw/zinc/30/51/46/596305146.db2.gz	IIKQZZLPEZVOKI-ZACQAIPSSA-N	2	0	326.400	1.234	20	30		EDEDRP
N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1	ZINC000876869380	597363445	/nfs/dbraw/zinc/36/34/45/597363445.db2.gz	SFPVDXJVDIORFW-LMMKCTJWSA-N	2	0	338.455	1.593	20	30		EDEDRP
N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1	ZINC000876869378	597363601	/nfs/dbraw/zinc/36/36/01/597363601.db2.gz	SFPVDXJVDIORFW-AOIWGVFYSA-N	2	0	338.455	1.593	20	30		EDEDRP
C#CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C(C)(C)C[NH+]3CCOCC3)C[C@H]21	ZINC000992757053	695287175	/nfs/dbraw/zinc/28/71/75/695287175.db2.gz	ZAIUKRRNSHZEFR-RCCFBDPRSA-N	2	0	347.503	1.195	20	30		EDEDRP
C#CC[NH+]1CCC(NC(=O)NC[C@]2([NH+](C)C)CCC[C@@H](C)C2)CC1	ZINC000914314313	695351710	/nfs/dbraw/zinc/35/17/10/695351710.db2.gz	RIBFVNOHKKWRFE-APWZRJJASA-N	2	0	334.508	1.894	20	30		EDEDRP
C=CCC[N@H+]1CCC[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@H]1C	ZINC000993368179	696016697	/nfs/dbraw/zinc/01/66/97/696016697.db2.gz	RVEUJIRZTYLIHQ-HZPDHXFCSA-N	2	0	333.480	1.604	20	30		EDEDRP
C[N@@H+]1CCC[C@@H]1C(=O)NCC1CN(CC#Cc2ccc(Cl)cc2)C1	ZINC001031579693	697275281	/nfs/dbraw/zinc/27/52/81/697275281.db2.gz	KDMUHMHNLCXIJN-GOSISDBHSA-N	2	0	345.874	1.834	20	30		EDEDRP
C=C(C)CN1CC(N2CCN(C(=O)C[N@@H+]3CCC(C)(C)C3)CC2)C1	ZINC000941566332	701585130	/nfs/dbraw/zinc/58/51/30/701585130.db2.gz	BSLSGAAFWOHZNA-UHFFFAOYSA-N	2	0	334.508	1.123	20	30		EDEDRP
Cc1nc[nH]c1CC(=O)N1C[C@@H](C)[C@@H]([NH2+]Cc2ccccc2C#N)C1	ZINC000939622518	699759440	/nfs/dbraw/zinc/75/94/40/699759440.db2.gz	LXUITCMROCULNF-ACJLOTCBSA-N	2	0	337.427	1.769	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)N2C[C@H](C)[C@H]([NH2+]Cc3ccns3)C2)CC1	ZINC000939811446	699959580	/nfs/dbraw/zinc/95/95/80/699959580.db2.gz	SROVSVDBPHKFKW-WMLDXEAASA-N	2	0	346.500	1.425	20	30		EDEDRP
C#Cc1cccc(NC(=O)CNC(N[C@H]2CCN(C3CC3)C2)=[NH+]C)c1	ZINC000083125469	700462245	/nfs/dbraw/zinc/46/22/45/700462245.db2.gz	RACQEUNDLFSALH-INIZCTEOSA-N	2	0	339.443	1.008	20	30		EDEDRP
C=CCC[N@@H+]1CC[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@@H](C)C1	ZINC000942055956	702503459	/nfs/dbraw/zinc/50/34/59/702503459.db2.gz	DANCFMQZUQOVTO-HOTGVXAUSA-N	2	0	333.480	1.461	20	30		EDEDRP
C#CC[NH2+][C@H]1CN(C(=O)c2ccccc2CC[NH+](C)C)CC1(C)C	ZINC000996095108	702508932	/nfs/dbraw/zinc/50/89/32/702508932.db2.gz	BMYILKMNUQUAKR-SFHVURJKSA-N	2	0	327.472	1.864	20	30		EDEDRP
C=CCN1CC[NH+](C2CCC(NC(=O)C[N@H+]3CC[C@@H](C)C3)CC2)CC1	ZINC000996788973	703081452	/nfs/dbraw/zinc/08/14/52/703081452.db2.gz	NCYSVVSGORFXJF-LMDPOFIKSA-N	2	0	348.535	1.559	20	30		EDEDRP
C[N@@H+]1CC[C@@H](C(=O)N2CCC([NH2+]Cc3ccccc3C#N)CC2)C1	ZINC000997296919	703555671	/nfs/dbraw/zinc/55/56/71/703555671.db2.gz	CGAIAWBAOAQEQD-QGZVFWFLSA-N	2	0	326.444	1.591	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)N2CCC([NH2+]C[C@@H]3CC[C@H](C)O3)CC2)CC1	ZINC000997365319	703598263	/nfs/dbraw/zinc/59/82/63/703598263.db2.gz	REWPMFKCCLRSJP-LPHOPBHVSA-N	2	0	347.503	1.480	20	30		EDEDRP
C#CCC[NH+]1CCC([C@H](C)NC(=O)c2cnn(CC[NH+](C)C)c2)CC1	ZINC000997794029	704702023	/nfs/dbraw/zinc/70/20/23/704702023.db2.gz	PWMIGVBQCLDKEL-INIZCTEOSA-N	2	0	345.491	1.298	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)N2CC[C@H](C(F)(F)F)[C@@H]([NH2+]CC)C2)CC1	ZINC000998312418	705726275	/nfs/dbraw/zinc/72/62/75/705726275.db2.gz	JTZUIMGHCXNVLL-GJZGRUSLSA-N	2	0	345.409	1.721	20	30		EDEDRP
C[C@@H]1[C@H](C(=O)N(C)C2CC([NH2+]Cc3ccc(C#N)cc3)C2)CC[N@@H+]1C	ZINC000998795620	706242673	/nfs/dbraw/zinc/24/26/73/706242673.db2.gz	KAPHQGZMOAVKRM-YOODTLSXSA-N	2	0	340.471	1.977	20	30		EDEDRP
C[NH+](C)[C@H](C(=O)N1CCC[C@@H]([NH2+]Cc2cccc(C#N)c2)C1)C1CC1	ZINC000999366987	706880944	/nfs/dbraw/zinc/88/09/44/706880944.db2.gz	DDTMTYWJKZRWMC-MOPGFXCFSA-N	2	0	340.471	1.979	20	30		EDEDRP
C#CC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1	ZINC001033442401	707873657	/nfs/dbraw/zinc/87/36/57/707873657.db2.gz	OBBUQKAUYATOEK-OTWHNJEPSA-N	2	0	325.456	1.498	20	30		EDEDRP
CC#CC[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCOCC2)C1	ZINC001034239744	709622827	/nfs/dbraw/zinc/62/28/27/709622827.db2.gz	DNPULUAJOVFBFR-HKUYNNGSSA-N	2	0	347.503	1.624	20	30		EDEDRP
C#CCN1CCC[C@H]1C(=O)NC1CC[NH+](CC2CC(OCC)C2)CC1	ZINC001003055050	709876246	/nfs/dbraw/zinc/87/62/46/709876246.db2.gz	FJOUHNOWEBHQTM-KVZIAJEVSA-N	2	0	347.503	1.480	20	30		EDEDRP
CC#CC[NH+]1CCC(NC(=O)C2(N3CCOCC3)CCCC2)CC1	ZINC001003724427	710509895	/nfs/dbraw/zinc/50/98/95/710509895.db2.gz	RGVIFGJQTQKELI-UHFFFAOYSA-N	2	0	333.476	1.235	20	30		EDEDRP
C[NH+]=C(NCCc1c[nH]c2cc(F)ccc12)NC[C@@H]1CC[N@H+](C)C1	ZINC000262894084	249324521	/nfs/dbraw/zinc/32/45/21/249324521.db2.gz	XBEOHRUGCDPYAX-ZDUSSCGKSA-N	2	0	331.439	1.966	20	30		EDEDRP
CC1CCN(C(=[NH2+])NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CC1	ZINC000264070933	249331020	/nfs/dbraw/zinc/33/10/20/249331020.db2.gz	DCUPQCFPCFTISK-UHFFFAOYSA-N	3	0	344.507	1.640	20	30		EDEDRP
C[C@@H](C(=O)N(C)CCC#N)[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1	ZINC000374853784	250274542	/nfs/dbraw/zinc/27/45/42/250274542.db2.gz	LHLSQNGRHHZUTK-INIZCTEOSA-N	2	0	343.475	1.990	20	30		EDEDRP
COc1cc(C[N@@H+]2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)ccc1C#N	ZINC000333120544	141267269	/nfs/dbraw/zinc/26/72/69/141267269.db2.gz	ICWJIEOZQXHTOK-SJORKVTESA-N	2	0	327.428	1.767	20	30		EDEDRP
C[NH+]1CCN(C[C@H]2CCC[N@H+](C[C@H](O)c3ccc(C#N)cc3)C2)CC1	ZINC000367623501	154201417	/nfs/dbraw/zinc/20/14/17/154201417.db2.gz	OUNGAQZHYIFCDI-QUCCMNQESA-N	2	0	342.487	1.551	20	30		EDEDRP
C[C@H](CNC1=[NH+]C[C@@H]2CN(C(=O)OC(C)(C)C)CCN12)C[NH+](C)C	ZINC000496240689	298246448	/nfs/dbraw/zinc/24/64/48/298246448.db2.gz	YCTPVMOUNMONSA-ZIAGYGMSSA-N	2	0	339.484	1.065	20	30		EDEDRP
C[NH+]=C(NCC1([NH+](C)C)CCOCC1)N[C@@H]1CCOc2ccccc21	ZINC000088392103	441506829	/nfs/dbraw/zinc/50/68/29/441506829.db2.gz	YBDLKPLBLLEXPT-MRXNPFEDSA-N	2	0	346.475	1.786	20	30		EDEDRP
C[NH+]=C(NCC(=O)Nc1cccc(F)c1)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C	ZINC000158541436	441744618	/nfs/dbraw/zinc/74/46/18/441744618.db2.gz	PMJMRUQLCUGGEF-BBRMVZONSA-N	2	0	349.454	1.658	20	30		EDEDRP
N#Cc1ccc([C@H](O)C[NH+]2CCC(C[NH+]3CCOCC3)CC2)cc1	ZINC000268725317	443088948	/nfs/dbraw/zinc/08/89/48/443088948.db2.gz	WKSBCXZTGAWAME-LJQANCHMSA-N	2	0	329.444	1.636	20	30		EDEDRP
C[NH+]=C(NC[C@@H](O)c1cccc(F)c1)N1CC[C@@H](C[NH+]2CCCC2)C1	ZINC000262803210	443213486	/nfs/dbraw/zinc/21/34/86/443213486.db2.gz	RQLIVUXHZHOKIV-MAUKXSAKSA-N	2	0	348.466	1.852	20	30		EDEDRP
CCN(CC)C(=[NH2+])NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1	ZINC000267451743	443461907	/nfs/dbraw/zinc/46/19/07/443461907.db2.gz	RQORVTCCGJQRLN-QGZVFWFLSA-N	2	0	345.491	1.540	20	30		EDEDRP
CCCn1ccnc1CCC[N@H+](C)CC(=O)N(CCC#N)CCC#N	ZINC000277131174	443916452	/nfs/dbraw/zinc/91/64/52/443916452.db2.gz	IJVROTPDAADMRF-UHFFFAOYSA-N	2	0	344.463	1.813	20	30		EDEDRP
C#CC[N@H+](C)CCCNC(=O)NC[C@@H](c1ccc(C)o1)[NH+]1CCCC1	ZINC000296178646	444210547	/nfs/dbraw/zinc/21/05/47/444210547.db2.gz	BCNCMOWWSBIEPM-KRWDZBQOSA-N	2	0	346.475	1.979	20	30		EDEDRP
C#CC[N@H+](C)CCCNC(=O)NCC1([NH+](C)C)Cc2ccccc2C1	ZINC000296402917	444227168	/nfs/dbraw/zinc/22/71/68/444227168.db2.gz	IYXSCLGTOYXOSH-UHFFFAOYSA-N	2	0	342.487	1.340	20	30		EDEDRP
C#CC[N@@H+](C)CCCNC(=O)N[C@H](C[NH+](C)C)c1ccc(OC)cc1	ZINC000297596854	444306194	/nfs/dbraw/zinc/30/61/94/444306194.db2.gz	VNTCWTCRKQNZDT-GOSISDBHSA-N	2	0	346.475	1.552	20	30		EDEDRP
CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1cc(C)nc(N2CCCC2)c1	ZINC000290746242	444318283	/nfs/dbraw/zinc/31/82/83/444318283.db2.gz	XRZPWQJNHNVSET-KRWDZBQOSA-N	2	0	344.507	1.879	20	30		EDEDRP
C[NH+]1CCC([C@@H]2CCN(C(=O)N[C@@H]3CCn4ccnc4C3)C2)CC1	ZINC000330178497	444874946	/nfs/dbraw/zinc/87/49/46/444874946.db2.gz	DTNDZNLZJARHII-HZPDHXFCSA-N	2	0	331.464	1.776	20	30		EDEDRP
C[C@@H]1C[N@H+](CCCNCc2cnc3ccc(C#N)cn23)CCCO1	ZINC000432361532	446462032	/nfs/dbraw/zinc/46/20/32/446462032.db2.gz	YMTATICLKYCPHR-OAHLLOKOSA-N	2	0	327.432	1.796	20	30		EDEDRP
C[C@H]1CC[NH2+]C[C@H]1NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1	ZINC000418573845	446600467	/nfs/dbraw/zinc/60/04/67/446600467.db2.gz	LRFKQHJXIQDCIR-MAUKXSAKSA-N	2	0	343.475	1.629	20	30		EDEDRP
C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2Cc1cnc2ccc(C#N)cn12	ZINC000371470361	446874692	/nfs/dbraw/zinc/87/46/92/446874692.db2.gz	KZIOPGHDIMVOTC-NJAFHUGGSA-N	2	0	339.443	1.889	20	30		EDEDRP
C=CC[NH+](CC=C)[C@@H](CNC(=O)N[C@@H]1C[NH2+]CCC1(F)F)C(C)C	ZINC000417060283	447732109	/nfs/dbraw/zinc/73/21/09/447732109.db2.gz	JIFFOQYPOWEDST-LSDHHAIUSA-N	2	0	344.450	1.981	20	30		EDEDRP
C=C(C)C[NH+]1CCC(NC(=O)NC[C@@H]2CCC[N@@H+]2CCCO)CC1	ZINC000458324340	447769217	/nfs/dbraw/zinc/76/92/17/447769217.db2.gz	RCGCKYQXCQSINR-KRWDZBQOSA-N	2	0	338.496	1.173	20	30		EDEDRP
CC1(C)C[N@H+](CC#CC[NH+]2CC(C)(C)[C@@H]3COC[C@@H]32)[C@@H]2COC[C@@H]21	ZINC000452121183	447816840	/nfs/dbraw/zinc/81/68/40/447816840.db2.gz	SJJOVECKNNJDGC-FZDBZEDMSA-N	2	0	332.488	1.703	20	30		EDEDRP
C#CC[N@@H+](C)CCCNC(=O)NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1	ZINC000491376389	448008965	/nfs/dbraw/zinc/00/89/65/448008965.db2.gz	ZWIRTIRPBMKKON-QZTJIDSGSA-N	2	0	336.524	1.999	20	30		EDEDRP
C[NH+](C)CCC1CC[NH+](C[C@H](O)COc2ccccc2C#N)CC1	ZINC000528351940	448495521	/nfs/dbraw/zinc/49/55/21/448495521.db2.gz	JVVSBUZMPJUUJX-SFHVURJKSA-N	2	0	331.460	1.962	20	30		EDEDRP
C[NH+]1CCC(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)CC1	ZINC000593881788	449260277	/nfs/dbraw/zinc/26/02/77/449260277.db2.gz	BODIEAGHWKLDMK-UHFFFAOYSA-N	2	0	340.471	1.981	20	30		EDEDRP
CN(C(=O)[C@@H]([NH3+])CCCCC#N)[C@H]1CCN(C2CC[NH+](C)CC2)C1	ZINC000595978300	449294860	/nfs/dbraw/zinc/29/48/60/449294860.db2.gz	UOWNCJCGBZRIOM-IRXDYDNUSA-N	2	0	335.496	1.025	20	30		EDEDRP
COc1cccc([C@H](CNC(=O)[C@@H]([NH3+])CCCCC#N)[NH+](C)C)c1	ZINC000594446319	449524021	/nfs/dbraw/zinc/52/40/21/449524021.db2.gz	QLCVFVIAEYHZJD-IRXDYDNUSA-N	2	0	332.448	1.825	20	30		EDEDRP
C=CC[C@@]1(C(=O)N2CCN(C[C@H]3CCCC[N@H+]3C)CC2)CCC[NH2+]1	ZINC000662789862	453523796	/nfs/dbraw/zinc/52/37/96/453523796.db2.gz	DVVPJUIHKZXIOV-MJGOQNOKSA-N	2	0	334.508	1.313	20	30		EDEDRP
CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCNC(=O)c1cccc(C)c1	ZINC000264077178	535597474	/nfs/dbraw/zinc/59/74/74/535597474.db2.gz	GDDFDOMBJSHPJV-INIZCTEOSA-N	2	0	331.464	1.113	20	30		EDEDRP
C=C(CC[NH+](C)C)C(=O)N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1	ZINC000900464565	592026114	/nfs/dbraw/zinc/02/61/14/592026114.db2.gz	PQWPWCNONWYVRQ-QZTJIDSGSA-N	2	0	336.524	1.511	20	30		EDEDRP
CC[NH+](CC)CCOc1cccc(NC(=O)N[C@H]2C[NH2+]C[C@@H]2C#N)c1	ZINC000904618775	592290744	/nfs/dbraw/zinc/29/07/44/592290744.db2.gz	XLVGLRJHLBCOPZ-YOEHRIQHSA-N	2	0	345.447	1.640	20	30		EDEDRP
N#Cc1cc(N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)ccc1[N+](=O)[O-]	ZINC000905704439	592617120	/nfs/dbraw/zinc/61/71/20/592617120.db2.gz	UEXNOBQIBPODHT-CALCHBBNSA-N	2	0	341.415	1.871	20	30		EDEDRP
CCOCCC[NH+]=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)NC(C)(C)C	ZINC000912499614	593100733	/nfs/dbraw/zinc/10/07/33/593100733.db2.gz	VOTSDRSLYCAZPI-HZPDHXFCSA-N	2	0	340.512	1.610	20	30		EDEDRP
C[N@@H+]1CCC[C@@H]1CNC(NCCCN1CCOCC1)=[NH+]C(C)(C)C	ZINC000912506093	593101293	/nfs/dbraw/zinc/10/12/93/593101293.db2.gz	IVTIMLSDQUGJFH-MRXNPFEDSA-N	2	0	339.528	1.137	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)CC1	ZINC000844050186	595258601	/nfs/dbraw/zinc/25/86/01/595258601.db2.gz	WJWKOHZKQVAVAZ-UXHICEINSA-N	2	0	339.483	1.793	20	30		EDEDRP
C[NH+](C)CCCOc1ccc(CNC(=O)C#CC2CC[NH2+]CC2)cc1	ZINC000852865410	595585866	/nfs/dbraw/zinc/58/58/66/595585866.db2.gz	BRUMVMTWPQQIPC-UHFFFAOYSA-N	2	0	343.471	1.636	20	30		EDEDRP
C#CC[N@H+](C)CCCNC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1	ZINC000851660858	595873143	/nfs/dbraw/zinc/87/31/43/595873143.db2.gz	ALKZJUZPMBETJM-QZTJIDSGSA-N	2	0	328.460	1.386	20	30		EDEDRP
CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)[C@H](C)C1	ZINC000867945124	596628639	/nfs/dbraw/zinc/62/86/39/596628639.db2.gz	RGIIGYGCRAQQGT-CCKFTAQKSA-N	2	0	340.471	1.934	20	30		EDEDRP
CC(C)C[N@H+](C)CCCNC(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21	ZINC000867982520	596644195	/nfs/dbraw/zinc/64/41/95/596644195.db2.gz	RXADKYORFAUGLB-SFHVURJKSA-N	2	0	328.460	1.839	20	30		EDEDRP
C[NH+](C)C[C@@H]1CN(C(=O)Cc2cccc(C#N)c2)C[C@H]1C[NH+](C)C	ZINC000870020224	596711549	/nfs/dbraw/zinc/71/15/49/596711549.db2.gz	IKCXVWNNRHWVEL-QZTJIDSGSA-N	2	0	328.460	1.299	20	30		EDEDRP
C[NH+](C)C[C@@H]1CN(C(=O)CNc2ccc(C#N)cc2)C[C@H]1C[NH+](C)C	ZINC000870023103	596713262	/nfs/dbraw/zinc/71/32/62/596713262.db2.gz	LKXYFTWUXYDKFD-IAGOWNOFSA-N	2	0	343.475	1.168	20	30		EDEDRP
C[NH+](C)C[C@@H]1CN(c2ccc(C#N)cc2[N+](=O)[O-])C[C@H]1C[NH+](C)C	ZINC000866012147	596757487	/nfs/dbraw/zinc/75/74/87/596757487.db2.gz	RQMSHTKJPXMNPK-HUUCEWRRSA-N	2	0	331.420	1.642	20	30		EDEDRP
C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@H](C[C@@H]([NH3+])C2CCCC2)C1	ZINC000872158183	596816704	/nfs/dbraw/zinc/81/67/04/596816704.db2.gz	ZDBJYXPVXNMJPY-GDBMZVCRSA-N	2	0	336.480	1.618	20	30		EDEDRP
C=C(Cl)C[C@@H]([NH3+])C(=O)NCC1([NH+]2CCC(OC)CC2)CCCC1	ZINC000876759783	597326183	/nfs/dbraw/zinc/32/61/83/597326183.db2.gz	QLXOWCSFBNIWIQ-OAHLLOKOSA-N	2	0	343.899	1.996	20	30		EDEDRP
COCC[N@@H+](Cc1cnc2ccc(C#N)cn12)CC1CC[NH+](C)CC1	ZINC000877665364	597546055	/nfs/dbraw/zinc/54/60/55/597546055.db2.gz	SKWGVBXEFOUSEM-UHFFFAOYSA-N	2	0	341.459	1.996	20	30		EDEDRP
CC[NH+]=C(NC[C@@]1(O)CCSC1)NC1CC[NH+](C2CC2)CC1	ZINC000127404598	597755989	/nfs/dbraw/zinc/75/59/89/597755989.db2.gz	KPIUHKCULKWFPK-INIZCTEOSA-N	2	0	326.510	1.036	20	30		EDEDRP
N#C[C@H]1C[NH2+]CC12CC(C(=O)N1CC[C@H](C[NH+]3CCCCC3)C1)C2	ZINC000884227643	598036563	/nfs/dbraw/zinc/03/65/63/598036563.db2.gz	UXHDZUQRALPBPX-XNGIKWSVSA-N	2	0	330.476	1.460	20	30		EDEDRP
C=C(C)CC[N@H+]1CCC[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@@H]1C	ZINC000993365349	696013726	/nfs/dbraw/zinc/01/37/26/696013726.db2.gz	MNGVGNRKSYSPAW-IRXDYDNUSA-N	2	0	347.507	1.994	20	30		EDEDRP
C=C(Br)C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1	ZINC000999189939	706632646	/nfs/dbraw/zinc/63/26/46/706632646.db2.gz	OQOWWFYPTSQIKG-MGPQQGTHSA-N	2	0	344.297	1.816	20	30		EDEDRP
C#CCN1CCC[C@H]1C(=O)N1CCC([NH2+]Cc2c(C)noc2C)CC1	ZINC000996684146	702981732	/nfs/dbraw/zinc/98/17/32/702981732.db2.gz	GLDHAKKKRGFVCY-SFHVURJKSA-N	2	0	344.459	1.470	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)N2CCC([NH2+]Cc3cc(C)no3)CC2)CC1	ZINC000997364368	703597808	/nfs/dbraw/zinc/59/78/08/703597808.db2.gz	MHDYGXVQEVXEAM-UHFFFAOYSA-N	2	0	344.459	1.409	20	30		EDEDRP
C=C(C)CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC[NH+]1C1CCOCC1	ZINC001032444467	703621478	/nfs/dbraw/zinc/62/14/78/703621478.db2.gz	ZYYGHHJIQBBPFP-FHWLQOOXSA-N	2	0	347.503	1.881	20	30		EDEDRP
C=C(C)C[NH+]1CCC([C@H](C)NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)CC1	ZINC000997690478	704563033	/nfs/dbraw/zinc/56/30/33/704563033.db2.gz	BHXVFVJEPPVVCO-BPOAAREJSA-N	2	0	347.503	1.642	20	30		EDEDRP
C=C(Br)C[NH2+][C@@H]1CCCN(C(=O)[C@@H](C2CC2)[NH+](C)C)C1	ZINC000999373583	706867880	/nfs/dbraw/zinc/86/78/80/706867880.db2.gz	QSVFGBKEFAOFPN-ZIAGYGMSSA-N	2	0	344.297	1.816	20	30		EDEDRP
C#CCN1CCC[C@H]1C(=O)N1CCC[C@H](NCc2cc(C)on2)C1	ZINC000999397256	706891391	/nfs/dbraw/zinc/89/13/91/706891391.db2.gz	LHRRLQVEWXADJA-RDJZCZTQSA-N	2	0	330.432	1.161	20	30		EDEDRP
C#CC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[N@@H+](CCC)C3)CC[C@@H]2C1	ZINC000946728538	707253022	/nfs/dbraw/zinc/25/30/22/707253022.db2.gz	FYFIUELNNMTVDE-CEXWTWQISA-N	2	0	331.504	1.912	20	30		EDEDRP
CC#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)CC[C@@H]2C1	ZINC000946736583	707302942	/nfs/dbraw/zinc/30/29/42/707302942.db2.gz	ZZKXIPAKQUVBDP-CADBVGFASA-N	2	0	331.504	1.910	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)N(C)C2CC([NH2+]Cc3ccns3)C2)CC1	ZINC000999876139	707523528	/nfs/dbraw/zinc/52/35/28/707523528.db2.gz	GVWXFQBSVXRHIS-UHFFFAOYSA-N	2	0	346.500	1.567	20	30		EDEDRP
C=C(C)CC[N@H+]1CC[C@H](N(C)C(=O)c2cnn(CC[NH+](C)C)c2)C1	ZINC001033488952	707983048	/nfs/dbraw/zinc/98/30/48/707983048.db2.gz	BJIRAAWXWPGXTP-KRWDZBQOSA-N	2	0	333.480	1.557	20	30		EDEDRP
C#CCN1CCC[C@H]1C(=O)NC1CC[NH+](Cc2cccnc2C)CC1	ZINC001003057433	709892794	/nfs/dbraw/zinc/89/27/94/709892794.db2.gz	YTLQUQNOAUMZPT-IBGZPJMESA-N	2	0	340.471	1.568	20	30		EDEDRP
COc1ccc(CNC(=[NH2+])NC[C@@H]2CC[N@@H+](C3CC3)C2)cc1OC	ZINC000264072940	249331160	/nfs/dbraw/zinc/33/11/60/249331160.db2.gz	DQFOJRARCKOUFN-AWEZNQCLSA-N	2	0	332.448	1.592	20	30		EDEDRP
CC[NH+](CC)CCOc1ccc(CNC(=[NH2+])N2CCOCC2)cc1	ZINC000264085432	249332582	/nfs/dbraw/zinc/33/25/82/249332582.db2.gz	JGGHIUHAACLQHI-UHFFFAOYSA-N	2	0	334.464	1.554	20	30		EDEDRP
N#Cc1ccc(C[N@H+]2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)cc1	ZINC000261786701	139225908	/nfs/dbraw/zinc/22/59/08/139225908.db2.gz	YLAVCEIKFLCRJD-MSOLQXFVSA-N	2	0	326.444	1.638	20	30		EDEDRP
C[NH+](C)CCC(=O)Nc1ccc(NC(=O)[C@H]([NH3+])CCCC#N)cc1	ZINC000424152809	252145998	/nfs/dbraw/zinc/14/59/98/252145998.db2.gz	IZWZVKLYXHZXJY-OAHLLOKOSA-N	2	0	331.420	1.536	20	30		EDEDRP
C[C@H](O)C[NH+]1CCC(C[N@H+](C)CCOc2ccccc2C#N)CC1	ZINC000264281760	139393175	/nfs/dbraw/zinc/39/31/75/139393175.db2.gz	HKNOZJLONFZULW-INIZCTEOSA-N	2	0	331.460	1.962	20	30		EDEDRP
C[NH+]=C(NC[C@H](C)N1CC[NH+](C)CC1)N1CCSC(C)(C)C1	ZINC000126411513	277752195	/nfs/dbraw/zinc/75/21/95/277752195.db2.gz	VJMRLCKTHLQRFH-AWEZNQCLSA-N	2	0	327.542	1.025	20	30		EDEDRP
C=C[C@@H]1OCC[C@H]1C(=O)N1CCCN(C2CC[NH+](CC)CC2)CC1	ZINC000422027189	447314164	/nfs/dbraw/zinc/31/41/64/447314164.db2.gz	WCNIUGAIKBQSSQ-MSOLQXFVSA-N	2	0	335.492	1.596	20	30		EDEDRP
COc1cc(C[N@@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)ccc1C#N	ZINC000414656142	447316010	/nfs/dbraw/zinc/31/60/10/447316010.db2.gz	MLXGMSLNOJFSIP-QGZVFWFLSA-N	2	0	342.443	1.211	20	30		EDEDRP
C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CCC[C@@H](CN2CC[NH+](C)CC2)C1	ZINC000378431805	447427891	/nfs/dbraw/zinc/42/78/91/447427891.db2.gz	OUHIXTSCTMBQEH-OALUTQOASA-N	2	0	348.535	1.535	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)NC[C@H](c2ccc(F)cc2)[NH+](C)C)CC1	ZINC000057177975	441096404	/nfs/dbraw/zinc/09/64/04/441096404.db2.gz	UUVDFGZZYFNFAO-GOSISDBHSA-N	2	0	331.435	1.890	20	30		EDEDRP
CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccc(C#N)c(C)n1	ZINC000194872822	442963951	/nfs/dbraw/zinc/96/39/51/442963951.db2.gz	DRYGASJNVIILHD-QGZVFWFLSA-N	2	0	343.475	1.750	20	30		EDEDRP
C[NH+]=C(NCC(=O)Nc1cccc(F)c1)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C	ZINC000261954543	443175524	/nfs/dbraw/zinc/17/55/24/443175524.db2.gz	IIRYOZWGBCHUGX-WBMJQRKESA-N	2	0	347.438	1.412	20	30		EDEDRP
[NH2+]=C(NC[C@H]1C[NH+]2CCN1CC2)Nc1ccc(OC(F)(F)F)cc1	ZINC000262830059	443214162	/nfs/dbraw/zinc/21/41/62/443214162.db2.gz	ZPMOIRXOXSDDTE-LBPRGKRZSA-N	2	0	343.353	1.312	20	30		EDEDRP
COc1ccc(CCNC(=[NH2+])NCC[NH+]2CCCCC2)cc1OC	ZINC000264055293	443246979	/nfs/dbraw/zinc/24/69/79/443246979.db2.gz	AQQHCECSGMLBOL-UHFFFAOYSA-N	2	0	334.464	1.637	20	30		EDEDRP
C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1	ZINC000264272337	443256536	/nfs/dbraw/zinc/25/65/36/443256536.db2.gz	ACALAKFQWZNRDC-IAGOWNOFSA-N	2	0	337.508	1.600	20	30		EDEDRP
CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1cc2c(cc1OC)C[C@@H](C)O2	ZINC000269406268	443305787	/nfs/dbraw/zinc/30/57/87/443305787.db2.gz	FBRGBOHQSISSOI-CZUORRHYSA-N	2	0	346.475	1.907	20	30		EDEDRP
C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)Cc1cccc(C#N)c1	ZINC000530676242	320635283	/nfs/dbraw/zinc/63/52/83/320635283.db2.gz	MNSQCXVCBWPWAR-UHFFFAOYSA-N	2	0	330.476	1.833	20	30		EDEDRP
CCCC[N@H+](C)CCNC(=[NH2+])NC1CCN(C(=O)OCC)CC1	ZINC000304761670	444253154	/nfs/dbraw/zinc/25/31/54/444253154.db2.gz	USOVBXRIUSRZDN-UHFFFAOYSA-N	2	0	327.473	1.244	20	30		EDEDRP
CCOC(=O)N1CCC(NC(=[NH2+])NCC[N@H+](C)[C@@H](C)CC)CC1	ZINC000303973805	444238137	/nfs/dbraw/zinc/23/81/37/444238137.db2.gz	HGKISDMSPKQXIE-ZDUSSCGKSA-N	2	0	327.473	1.242	20	30		EDEDRP
CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCCCNC(=O)OC(C)(C)C	ZINC000305805217	444281359	/nfs/dbraw/zinc/28/13/59/444281359.db2.gz	GCLGOHDPELTBML-CQSZACIVSA-N	2	0	341.500	1.680	20	30		EDEDRP
CC[N@@H+]1CCC[C@@H](CNC(=O)NCCN2CCOCC2(C)C)C1	ZINC000328651630	444414872	/nfs/dbraw/zinc/41/48/72/444414872.db2.gz	BOYYWRBYSOILIJ-HNNXBMFYSA-N	2	0	326.485	1.333	20	30		EDEDRP
C(#CC[N@@H+]1CCC[C@@H]2COCC[C@@H]21)C[NH+]1CCC[C@H]2COCC[C@@H]21	ZINC000341893411	445056816	/nfs/dbraw/zinc/05/68/16/445056816.db2.gz	HURKQNCWBBVRIT-YRPNKDGESA-N	2	0	332.488	1.992	20	30		EDEDRP
C=CCCC[N@@H+](C)CC(=O)NC[C@@H]1CN(Cc2ccccc2)CCO1	ZINC000369480407	446124466	/nfs/dbraw/zinc/12/44/66/446124466.db2.gz	NOPSWMHLGRAGHI-LJQANCHMSA-N	2	0	345.487	1.902	20	30		EDEDRP
C[C@@H]1CC[C@H]([NH+](CC#CC[N@@H+](CCO)[C@H]2CC[C@H](C)C2)CCO)C1	ZINC000351620168	446215213	/nfs/dbraw/zinc/21/52/13/446215213.db2.gz	MOVFCBNBCDSQNX-YRPNKDGESA-N	2	0	336.520	1.956	20	30		EDEDRP
C=C[C@@H]1OCCC[C@H]1[NH2+]CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C	ZINC000451682241	447746904	/nfs/dbraw/zinc/74/69/04/447746904.db2.gz	OLCISCVLNCZJSA-SQNIBIBYSA-N	2	0	331.460	1.729	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)N(CCCOC)C2CC[NH+](C)CC2)CC1	ZINC000491697353	448083569	/nfs/dbraw/zinc/08/35/69/448083569.db2.gz	ZVZHIOOKOXJGRV-UHFFFAOYSA-N	2	0	335.492	1.291	20	30		EDEDRP
C[NH+](C)[C@@H]1CCC[C@H]([NH2+]C[C@@H](O)COc2ccc(CC#N)cc2)C1	ZINC000576816559	448145902	/nfs/dbraw/zinc/14/59/02/448145902.db2.gz	XJNBIJLYLISMLT-RCCFBDPRSA-N	2	0	331.460	1.955	20	30		EDEDRP
CCC[N@@H+]1CC[C@@H](C[NH2+]C[C@H](O)COc2ccc(CC#N)cc2)C1	ZINC000566108133	448390484	/nfs/dbraw/zinc/39/04/84/448390484.db2.gz	CVHYSSUAPPUUIS-ROUUACIJSA-N	2	0	331.460	1.814	20	30		EDEDRP
CC1CC[NH+](C2CCC([NH2+]C[C@H](O)CN(C)CCC#N)CC2)CC1	ZINC000566116215	448391783	/nfs/dbraw/zinc/39/17/83/448391783.db2.gz	OBZXHYRXOPTVSQ-ACBHZAAOSA-N	2	0	336.524	1.825	20	30		EDEDRP
CCC[N@H+](C)C[C@@H]1CCN(C[C@@H](O)COc2ccccc2C#N)C1	ZINC000528398350	448511200	/nfs/dbraw/zinc/51/12/00/448511200.db2.gz	FTDXRBPUNBDSJR-FUHWJXTLSA-N	2	0	331.460	1.962	20	30		EDEDRP
N#Cc1cccc(C2([NH2+]C[C@@H]3CCC4(C[NH2+]C4)O3)CCOCC2)c1	ZINC000595910693	449248234	/nfs/dbraw/zinc/24/82/34/449248234.db2.gz	QTSKKBXQVNELMH-KRWDZBQOSA-N	2	0	327.428	1.675	20	30		EDEDRP
Cc1ccc(C[N@@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)cc1C#N	ZINC000600701766	449502666	/nfs/dbraw/zinc/50/26/66/449502666.db2.gz	GAYOUBNXFKNOQB-QGZVFWFLSA-N	2	0	326.444	1.511	20	30		EDEDRP
C[NH+](C)CCNC(=O)c1cccc(C[NH2+]C[C@H](O)CC2(C#N)CC2)c1	ZINC000600722657	449518408	/nfs/dbraw/zinc/51/84/08/449518408.db2.gz	KCPLHLIMIWVNOE-QGZVFWFLSA-N	2	0	344.459	1.122	20	30		EDEDRP
C[N@H+](CC(=O)N1CCN(Cc2ccc(C#N)cc2)CC1)C1CCC1	ZINC000600814424	449559587	/nfs/dbraw/zinc/55/95/87/449559587.db2.gz	PSHMEVJWRFEHFK-UHFFFAOYSA-N	2	0	326.444	1.687	20	30		EDEDRP
N#CC1(CC(=O)Nc2cc(N3CC[NH2+]CC3)cc[nH+]2)CCOCC1	ZINC000602600728	449698268	/nfs/dbraw/zinc/69/82/68/449698268.db2.gz	IQYJYZWRKYVDEB-UHFFFAOYSA-N	2	0	329.404	1.140	20	30		EDEDRP
N#CCCCC[C@H]([NH3+])C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1	ZINC000595256342	449980130	/nfs/dbraw/zinc/98/01/30/449980130.db2.gz	NFGBYNVBMBWSHZ-IXDOHACOSA-N	2	0	332.423	1.799	20	30		EDEDRP
C=C(C)[C@@H](CO)[NH+]1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1	ZINC000649318642	451998492	/nfs/dbraw/zinc/99/84/92/451998492.db2.gz	HLOHIHHXEPOXRI-MRXNPFEDSA-N	2	0	325.497	1.339	20	30		EDEDRP
C=CC[C@@]1(C(=O)N(C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)CCC[NH2+]1	ZINC000662900400	453594013	/nfs/dbraw/zinc/59/40/13/453594013.db2.gz	LLXWXNXOJJJLAB-HKUYNNGSSA-N	2	0	334.508	1.312	20	30		EDEDRP
C=C(C[NH+](C)C)C(=O)Nc1ccc(OCCN2CC[NH+](C)CC2)cc1	ZINC000764572385	580123680	/nfs/dbraw/zinc/12/36/80/580123680.db2.gz	DEHUJDPFACSRIG-UHFFFAOYSA-N	2	0	346.475	1.369	20	30		EDEDRP
C[NH+]1CC[C@@H]1CNc1cc(NC[C@@H]2CC[N@H+]2C)c(C#N)cc1[N+](=O)[O-]	ZINC000895768270	591268918	/nfs/dbraw/zinc/26/89/18/591268918.db2.gz	BDXPCJARVPCWEB-UONOGXRCSA-N	2	0	344.419	1.698	20	30		EDEDRP
CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]C[C@@H](O)c1ccc(C#N)cc1)C2	ZINC000905500285	592545481	/nfs/dbraw/zinc/54/54/81/592545481.db2.gz	ABHYFRVTOIQUAE-LTFPLMDUSA-N	2	0	343.471	1.661	20	30		EDEDRP
CCOC(=O)C1([C@H](C)[NH2+]Cc2ccc(OCC#N)cc2)CC[NH2+]CC1	ZINC000817917844	593648456	/nfs/dbraw/zinc/64/84/56/593648456.db2.gz	IKOAMPXTSNMAEU-HNNXBMFYSA-N	2	0	345.443	2.000	20	30		EDEDRP
N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1	ZINC000834499865	595145645	/nfs/dbraw/zinc/14/56/45/595145645.db2.gz	NQFBTUBOSSTYEB-BFYDXBDKSA-N	2	0	330.407	1.265	20	30		EDEDRP
C[C@@H]1C[C@H](N(C)C(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)CC[N@@H+]1C	ZINC000867947083	596629225	/nfs/dbraw/zinc/62/92/25/596629225.db2.gz	YPWUMXWARMCYQA-QBIMZIAESA-N	2	0	326.444	1.686	20	30		EDEDRP
N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N[C@H](CC[NH3+])C(F)(F)F	ZINC000867980320	596643311	/nfs/dbraw/zinc/64/33/11/596643311.db2.gz	QXRGXFPGBDGULW-OLZOCXBDSA-N	2	0	326.322	1.141	20	30		EDEDRP
C[NH+](C)C[C@@H]1CN(C(=O)/C=C/c2ccccc2C#N)C[C@H]1C[NH+](C)C	ZINC000870024002	596713973	/nfs/dbraw/zinc/71/39/73/596713973.db2.gz	GFEQVSUUJQWBTJ-BGGMYYEUSA-N	2	0	340.471	1.769	20	30		EDEDRP
CC(C)[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)C1	ZINC000876738997	597315564	/nfs/dbraw/zinc/31/55/64/597315564.db2.gz	BHVJGZYQEPVESS-QFBILLFUSA-N	2	0	340.471	1.982	20	30		EDEDRP
CC(C)C[N@@H+]1CC[C@@H](CNC(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)C1	ZINC000876762313	597328212	/nfs/dbraw/zinc/32/82/12/597328212.db2.gz	FSORQBHFKYOIFN-LPHOPBHVSA-N	2	0	340.471	1.839	20	30		EDEDRP
CC(C)[NH+]1CCC(NC(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)CC1	ZINC000876872678	597363982	/nfs/dbraw/zinc/36/39/82/597363982.db2.gz	JVDMBZSBUJUPDK-SFHVURJKSA-N	2	0	326.444	1.734	20	30		EDEDRP
C=C(Cl)C[C@@H]([NH3+])C(=O)NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1	ZINC000876961722	597398483	/nfs/dbraw/zinc/39/84/83/597398483.db2.gz	WJLLAPQWHMFTLZ-JKSUJKDBSA-N	2	0	337.851	1.339	20	30		EDEDRP
C=CC[C@@]1(C(=O)NCc2cccc(-n3cc(C[NH3+])nn3)c2)CCC[NH2+]1	ZINC000877206860	597461910	/nfs/dbraw/zinc/46/19/10/597461910.db2.gz	NKBIXHFAPIUJNG-SFHVURJKSA-N	2	0	340.431	1.041	20	30		EDEDRP
C[NH+](C)[C@H](CNC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N)c1ccsc1	ZINC000884188858	598019727	/nfs/dbraw/zinc/01/97/27/598019727.db2.gz	QSLUZVSYVBJRGX-GYMHETDLSA-N	2	0	332.473	1.606	20	30		EDEDRP
C=CC[NH+](CC=C)[C@H](CNC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N)C(C)C	ZINC000884191697	598021141	/nfs/dbraw/zinc/02/11/41/598021141.db2.gz	KMZNEVJQPVOUAJ-SFANZJOMSA-N	2	0	344.503	1.941	20	30		EDEDRP
C#CC[NH+]1CCC(NC(=O)NCCCC[N@H+]2CCC[C@H](C)C2)CC1	ZINC000914099513	695098547	/nfs/dbraw/zinc/09/85/47/695098547.db2.gz	CRIMBHHWUCLNRD-KRWDZBQOSA-N	2	0	334.508	1.895	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)N2C[C@@H]3CCC[C@@H]([NH2+]CC4CC4)[C@@H]3C2)CC1	ZINC000992926553	695457678	/nfs/dbraw/zinc/45/76/78/695457678.db2.gz	PEXVLLYMOULPGQ-XUVXKRRUSA-N	2	0	343.515	1.958	20	30		EDEDRP
C[C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1[NH2+]Cc1cc(F)ccc1C#N	ZINC000939752968	699902044	/nfs/dbraw/zinc/90/20/44/699902044.db2.gz	BTJSCEYFZCJFFY-KSSFIOAISA-N	2	0	344.434	1.730	20	30		EDEDRP
CC#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C(C)(C)C1	ZINC000940901837	700976516	/nfs/dbraw/zinc/97/65/16/700976516.db2.gz	QXZIHSNPFLCLRM-RXCRORICSA-N	2	0	345.487	1.090	20	30		EDEDRP
C=CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1	ZINC001032408999	703438352	/nfs/dbraw/zinc/43/83/52/703438352.db2.gz	SFSHFXMETZTENG-OKYOBFRVSA-N	2	0	347.503	1.595	20	30		EDEDRP
C=CC[NH+]1CCC([C@H](C)NC(=O)c2cnn(CC[NH+](C)C)c2)CC1	ZINC000997793465	704706007	/nfs/dbraw/zinc/70/60/07/704706007.db2.gz	JIGSJAUQBVKSHR-HNNXBMFYSA-N	2	0	333.480	1.461	20	30		EDEDRP
C#CC[N@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)CC1	ZINC000998064742	705274933	/nfs/dbraw/zinc/27/49/33/705274933.db2.gz	AZTYFJUSISXZCX-NRGCRIOASA-N	2	0	345.487	1.186	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)N(CC)[C@@H]2CCC[N@H+](CCCO)CC2)CC1	ZINC000998197173	705502070	/nfs/dbraw/zinc/50/20/70/705502070.db2.gz	KFCLGKAPYGTTHB-LJQANCHMSA-N	2	0	349.519	1.417	20	30		EDEDRP
C=CC[NH2+][C@H]1CN(C(=O)C23CC[NH+](CC2)C3)CC[C@@H]1C(F)(F)F	ZINC000998305749	705709700	/nfs/dbraw/zinc/70/97/00/705709700.db2.gz	SHNVGDHDOYEOEW-STQMWFEESA-N	2	0	331.382	1.637	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)N2CC[C@@H](C(F)(F)F)[C@H]([NH2+]CC)C2)CC1	ZINC000998312423	705726090	/nfs/dbraw/zinc/72/60/90/705726090.db2.gz	JTZUIMGHCXNVLL-HUUCEWRRSA-N	2	0	345.409	1.721	20	30		EDEDRP
C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]Cc2cc(C#N)ccc2F)C1	ZINC000998720138	706152327	/nfs/dbraw/zinc/15/23/27/706152327.db2.gz	IIAMQOYNOCFIIZ-FUHWJXTLSA-N	2	0	344.434	1.872	20	30		EDEDRP
CN(C(=O)[C@H]1CC[N@H+](C)C1)C1CC([NH2+]Cc2cc(F)ccc2C#N)C1	ZINC000999837091	707473664	/nfs/dbraw/zinc/47/36/64/707473664.db2.gz	NWBHMWGNPVCJHJ-NNGSBXSVSA-N	2	0	344.434	1.728	20	30		EDEDRP
C#CCN(C(=O)NCC[C@H](C)[NH+]1CCCCC1)C1CC[NH+](C)CC1	ZINC000921938625	709087673	/nfs/dbraw/zinc/08/76/73/709087673.db2.gz	NJTWSDGRNFHNQD-KRWDZBQOSA-N	2	0	334.508	1.990	20	30		EDEDRP
C#CC[NH+]1CCC(N(C)C(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)CC1	ZINC001005495461	709204796	/nfs/dbraw/zinc/20/47/96/709204796.db2.gz	CAXAVAHGVFOEPK-GOSISDBHSA-N	2	0	333.476	1.186	20	30		EDEDRP
CCN(C(=O)[C@@H]1CC[NH+](C)C1)[C@H]1CC[N@H+](Cc2ccc(C#N)cc2)C1	ZINC001034043550	709294755	/nfs/dbraw/zinc/29/47/55/709294755.db2.gz	WJPXJNRKAOJJOJ-MOPGFXCFSA-N	2	0	340.471	1.933	20	30		EDEDRP
C#CCC[N@H+]1CCCC[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1	ZINC001034211350	709562035	/nfs/dbraw/zinc/56/20/35/709562035.db2.gz	ZSVJFYAWPVSZNO-MRXNPFEDSA-N	2	0	331.464	1.052	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCC[N@@H+](C[C@@H](C)OC)C2)CC1	ZINC001034538361	710211124	/nfs/dbraw/zinc/21/11/24/710211124.db2.gz	MTOAJIDLHGGYCU-SJLPKXTDSA-N	2	0	335.492	1.337	20	30		EDEDRP
C#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H](C)C[NH+]2CCOCC2)CC1	ZINC001004619003	712079781	/nfs/dbraw/zinc/07/97/81/712079781.db2.gz	ZDRBMPYCXLZRSH-IEBWSBKVSA-N	2	0	347.503	1.291	20	30		EDEDRP
C[C@H](C(=O)N1CCN(Cc2ccc(C#N)cc2)CC1)[NH+]1CC(C)C1	ZINC000561043317	306281808	/nfs/dbraw/zinc/28/18/08/306281808.db2.gz	RKVXLYHRRDOHDK-MRXNPFEDSA-N	2	0	326.444	1.543	20	30		EDEDRP
C[C@@H](C(=O)N1CCN(Cc2ccc(C#N)cc2)CC1)[NH+]1CC(C)C1	ZINC000561043304	306281849	/nfs/dbraw/zinc/28/18/49/306281849.db2.gz	RKVXLYHRRDOHDK-INIZCTEOSA-N	2	0	326.444	1.543	20	30		EDEDRP
C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CCC[C@H](CN2CC[NH+](C)CC2)C1	ZINC000378431809	447427610	/nfs/dbraw/zinc/42/76/10/447427610.db2.gz	OUHIXTSCTMBQEH-RTBURBONSA-N	2	0	348.535	1.535	20	30		EDEDRP
CCOC(=O)N1CCC(NC(=[NH2+])NC[C@H](CC)[NH+]2CCCC2)CC1	ZINC000104166872	441190931	/nfs/dbraw/zinc/19/09/31/441190931.db2.gz	NLNCSSYDWAMMPS-HNNXBMFYSA-N	2	0	339.484	1.386	20	30		EDEDRP
C=CCNC(NCc1nnc(C)n1C)=[NH+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C	ZINC000261942656	443174758	/nfs/dbraw/zinc/17/47/58/443174758.db2.gz	DUYAJCYHNJTMFW-MQVJKMGUSA-N	2	0	345.495	1.360	20	30		EDEDRP
C[NH+]=C(NCc1ccn(C)c1)NCC1([NH+]2CCCC2)CCOCC1	ZINC000262752285	443209917	/nfs/dbraw/zinc/20/99/17/443209917.db2.gz	CGYUZYAMWNYFEF-UHFFFAOYSA-N	2	0	333.480	1.335	20	30		EDEDRP
COCCNC(=[NH2+])NCCC[NH+]1CCN(c2cccc(C)c2)CC1	ZINC000264123889	443250779	/nfs/dbraw/zinc/25/07/79/443250779.db2.gz	VVDMLKHCVVAJII-UHFFFAOYSA-N	2	0	333.480	1.058	20	30		EDEDRP
CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H](C)Oc1ccc(OC)cc1	ZINC000267468484	443468107	/nfs/dbraw/zinc/46/81/07/443468107.db2.gz	XCTSPNVMUAOSET-GJZGRUSLSA-N	2	0	334.464	1.851	20	30		EDEDRP
CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H](C)Oc1ccc(OC)cc1	ZINC000267468483	443468247	/nfs/dbraw/zinc/46/82/47/443468247.db2.gz	XCTSPNVMUAOSET-CABCVRRESA-N	2	0	334.464	1.851	20	30		EDEDRP
COc1ccc(CNC(=[NH2+])NCC2CC[NH+](C3CC3)CC2)cc1OC	ZINC000278060598	444089465	/nfs/dbraw/zinc/08/94/65/444089465.db2.gz	UWFJVWAKSWYMEV-UHFFFAOYSA-N	2	0	346.475	1.983	20	30		EDEDRP
C#CC[N@H+](C)CCCNC(=O)[C@H]1CCC[NH+](Cc2ccccc2)C1	ZINC000294103055	444103072	/nfs/dbraw/zinc/10/30/72/444103072.db2.gz	YJYLNXHFTLXRSP-IBGZPJMESA-N	2	0	327.472	1.970	20	30		EDEDRP
C#CC[NH+](C)CCCNC(=O)N[C@H](C)C[N@H+](C)Cc1ccccc1	ZINC000296557963	444238825	/nfs/dbraw/zinc/23/88/25/444238825.db2.gz	GAWZEYDTUPVGJO-QGZVFWFLSA-N	2	0	330.476	1.761	20	30		EDEDRP
N#Cc1ccc(S(=O)(=O)CC[NH2+]CC2CC[NH+](C3CC3)CC2)nc1	ZINC000579583149	321949883	/nfs/dbraw/zinc/94/98/83/321949883.db2.gz	FUJKQBXGBGXHFC-UHFFFAOYSA-N	2	0	348.472	1.191	20	30		EDEDRP
C=CC[NH+](CC=C)[C@H](CNC(=O)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O)C(C)C	ZINC000343830072	444615438	/nfs/dbraw/zinc/61/54/38/444615438.db2.gz	NUUANHJVVSFSNW-HQSKLWIPSA-N	2	0	347.503	1.616	20	30		EDEDRP
CC[NH+]1CCN(CC(C)(C)[NH2+]CC(=O)Nc2cccc(C#N)c2)CC1	ZINC000451979911	447795819	/nfs/dbraw/zinc/79/58/19/447795819.db2.gz	HAABGAGFZIXQFH-UHFFFAOYSA-N	2	0	343.475	1.502	20	30		EDEDRP
C#CCNC(=O)CC[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1	ZINC000491209911	447958210	/nfs/dbraw/zinc/95/82/10/447958210.db2.gz	NNOLXAMRMYJXGM-HXUWFJFHSA-N	2	0	325.456	1.724	20	30		EDEDRP
N#CCc1ccc(OC[C@@H](O)C[NH2+]CC2CC[NH+](C3CC3)CC2)cc1	ZINC000571277381	448124717	/nfs/dbraw/zinc/12/47/17/448124717.db2.gz	GRSCZBYBHBEKTE-IBGZPJMESA-N	2	0	343.471	1.956	20	30		EDEDRP
C[NH+]1CCN(C[C@@H](O)C[NH2+][C@H](CCCC#N)c2ccccc2)CC1	ZINC000580870680	448959779	/nfs/dbraw/zinc/95/97/79/448959779.db2.gz	FQMKGAMUKDZRPT-RBUKOAKNSA-N	2	0	330.476	1.619	20	30		EDEDRP
CC(C)[N@H+](C)CC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000593882860	449261124	/nfs/dbraw/zinc/26/11/24/449261124.db2.gz	NAOUQJWSDNSBCW-UHFFFAOYSA-N	2	0	328.460	1.979	20	30		EDEDRP
N#CC1(C[C@@H](O)C[NH2+]CCN2CC[NH+](Cc3ccccc3)CC2)CC1	ZINC000600716587	449514820	/nfs/dbraw/zinc/51/48/20/449514820.db2.gz	YZWXCXKPPGITMN-LJQANCHMSA-N	2	0	342.487	1.449	20	30		EDEDRP
C[C@@H]1C[N@H+](CCC[NH2+]C[C@@H](O)COc2ccccc2C#N)CCCO1	ZINC000600735422	449524369	/nfs/dbraw/zinc/52/43/69/449524369.db2.gz	SYQHSMNNONNGQV-SJLPKXTDSA-N	2	0	347.459	1.388	20	30		EDEDRP
C=CC[C@@]1(C(=O)N2CCN(c3cc(OC)cc[nH+]3)CC2)CCC[NH2+]1	ZINC000662719253	453443775	/nfs/dbraw/zinc/44/37/75/453443775.db2.gz	YLHCBERUCCXGEM-SFHVURJKSA-N	2	0	330.432	1.437	20	30		EDEDRP
C=CC[C@@]1(C(=O)NCc2cccnc2N2CC[NH+](C)CC2)CCC[NH2+]1	ZINC000662756634	453494235	/nfs/dbraw/zinc/49/42/35/453494235.db2.gz	IRPXMEAGKIUWLP-IBGZPJMESA-N	2	0	343.475	1.148	20	30		EDEDRP
C[NH+]=C(NCCc1c(C)noc1C)N1CC[C@@H](C[NH+]2CCCC2)C1	ZINC000131835840	526363580	/nfs/dbraw/zinc/36/35/80/526363580.db2.gz	AZFFZBQRCAJAJR-INIZCTEOSA-N	2	0	333.480	1.827	20	30		EDEDRP
CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCc1cccc(C(=O)OC)c1	ZINC000132406978	529074746	/nfs/dbraw/zinc/07/47/46/529074746.db2.gz	JNNVQTGQQCBTGB-MRXNPFEDSA-N	2	0	332.448	1.404	20	30		EDEDRP
C[NH+](C)CCN(CC[NH+](C)C)C(=O)Nc1cccc(OCC#N)c1	ZINC000784424215	580620730	/nfs/dbraw/zinc/62/07/30/580620730.db2.gz	FCKLDQCDGJQJQZ-UHFFFAOYSA-N	2	0	333.436	1.546	20	30		EDEDRP
C#CC[C@@H](NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1ccccc1	ZINC000757771969	593386344	/nfs/dbraw/zinc/38/63/44/593386344.db2.gz	NKJFVDRHJYWGTC-GOSISDBHSA-N	2	0	330.476	1.886	20	30		EDEDRP
CC(C)[C@H](C[NH2+]C[C@H](O)c1ccc(C#N)cc1)N1CC[NH+](C)CC1	ZINC000819058989	593736379	/nfs/dbraw/zinc/73/63/79/593736379.db2.gz	AXICHNAUCHMVRX-OALUTQOASA-N	2	0	330.476	1.453	20	30		EDEDRP
N#Cc1ccc([C@H](O)C[NH2+]C2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)cc1	ZINC000819172330	593742568	/nfs/dbraw/zinc/74/25/68/593742568.db2.gz	DAXVPCNHFIBIES-GBESFXJTSA-N	2	0	329.444	1.559	20	30		EDEDRP
COc1cccc([C@H](CNC(=O)C#CC2CC[NH2+]CC2)[NH+](C)C)c1	ZINC000852853969	595575779	/nfs/dbraw/zinc/57/57/79/595575779.db2.gz	APSHVMCUYJTKKZ-SFHVURJKSA-N	2	0	329.444	1.417	20	30		EDEDRP
C[NH+]1CCN(Cc2ccc(NC(=O)C#CC3CC[NH2+]CC3)cc2)CC1	ZINC000852872874	595591754	/nfs/dbraw/zinc/59/17/54/595591754.db2.gz	MIOWECKCUVLPBA-UHFFFAOYSA-N	2	0	340.471	1.376	20	30		EDEDRP
C[NH+](C)[C@@H]1CCC[C@H](NC(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)C1	ZINC000867961943	596636026	/nfs/dbraw/zinc/63/60/26/596636026.db2.gz	ILRDAPPNUQFUQC-JZXOWHBKSA-N	2	0	326.444	1.734	20	30		EDEDRP
C[C@@H]1C[C@H](C)N(C(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)C[C@H]1C[NH3+]	ZINC000867979921	596643412	/nfs/dbraw/zinc/64/34/12/596643412.db2.gz	LDEJVUIFIDEHJX-ZDFLXESQSA-N	2	0	326.444	1.577	20	30		EDEDRP
CC1(C)C[NH2+]CC[C@H](NC(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)C1	ZINC000872277785	596865344	/nfs/dbraw/zinc/86/53/44/596865344.db2.gz	XSHNKXFVEWWIJO-RDJZCZTQSA-N	2	0	326.444	1.639	20	30		EDEDRP
C#CC[C@@H](COC)NC(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@H+]1CC	ZINC000875922042	597035983	/nfs/dbraw/zinc/03/59/83/597035983.db2.gz	AJJRNSAOFDPZIE-IRXDYDNUSA-N	2	0	338.496	1.082	20	30		EDEDRP
N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1	ZINC000876853119	597359944	/nfs/dbraw/zinc/35/99/44/597359944.db2.gz	FENVYNBVJKEQEH-MJGOQNOKSA-N	2	0	338.455	1.593	20	30		EDEDRP
CC[N@@H+]1CC[C@@H]1CNC(=O)N1CCN(Cc2ccc(C#N)cc2)CC1	ZINC000883892554	597932619	/nfs/dbraw/zinc/93/26/19/597932619.db2.gz	QQDSUXTYLHRXBC-GOSISDBHSA-N	2	0	341.459	1.480	20	30		EDEDRP
C[NH+](C)CCOc1ccc(NC(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)cc1	ZINC000884185190	598017709	/nfs/dbraw/zinc/01/77/09/598017709.db2.gz	NBADHNUWFKIOCM-XAUUPUKJSA-N	2	0	342.443	1.705	20	30		EDEDRP
C[NH+](C)[C@H](CNC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N)c1ccc(F)cc1	ZINC000884188266	598019884	/nfs/dbraw/zinc/01/98/84/598019884.db2.gz	COKITXFEDHTQMU-QXCFYTAISA-N	2	0	344.434	1.684	20	30		EDEDRP
N#C[C@H]1C[NH2+]CC12CC(C(=O)N1CCC[C@@H](C3CC[NH2+]CC3)C1)C2	ZINC000884396151	598091961	/nfs/dbraw/zinc/09/19/61/598091961.db2.gz	VTYDFNVMSGGQQG-XNGIKWSVSA-N	2	0	330.476	1.364	20	30		EDEDRP
N#C[C@H]1C[NH2+]CC12CC(C(=O)N1CCC([C@@H]3CCC[NH2+]C3)CC1)C2	ZINC000884394574	598092034	/nfs/dbraw/zinc/09/20/34/598092034.db2.gz	IYDLFLWUYCLYMV-XNGIKWSVSA-N	2	0	330.476	1.364	20	30		EDEDRP
C=CCC[N@H+]1CC[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C(C)(C)C1	ZINC000940751702	700889584	/nfs/dbraw/zinc/88/95/84/700889584.db2.gz	TZBCWTJGEQWSLS-KRWDZBQOSA-N	2	0	347.507	1.851	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](CCCF)CC2(C)C)CC1	ZINC000941237189	701427814	/nfs/dbraw/zinc/42/78/14/701427814.db2.gz	JJTOTDKQWGHWMD-QGZVFWFLSA-N	2	0	337.483	1.908	20	30		EDEDRP
CN(C)c1cc[nH+]cc1C(=O)NCC1CN(CC#Cc2ccccc2)C1	ZINC001032132463	701867715	/nfs/dbraw/zinc/86/77/15/701867715.db2.gz	YXWXPILYIGDMPE-UHFFFAOYSA-N	2	0	348.450	1.861	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)NCC2C[NH+](C[C@@H]3CC[C@H]4C[C@H]4C3)C2)CC1	ZINC001032207191	702115917	/nfs/dbraw/zinc/11/59/17/702115917.db2.gz	GWFZGAWUBFSANA-LSTHTHJFSA-N	2	0	343.515	1.816	20	30		EDEDRP
C=C(Cl)C[NH2+]C1CCN(C(=O)[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CC1	ZINC000996618118	702924697	/nfs/dbraw/zinc/92/46/97/702924697.db2.gz	DGOODVNFPFSLKE-GJZGRUSLSA-N	2	0	327.856	1.183	20	30		EDEDRP
C[N@@H+]1CC[C@H](C(=O)N2C[C@H]([NH2+]Cc3ccc(C#N)cc3)C(C)(C)C2)C1	ZINC000996617751	702924907	/nfs/dbraw/zinc/92/49/07/702924907.db2.gz	WFKUXLCLMMWISN-ROUUACIJSA-N	2	0	340.471	1.837	20	30		EDEDRP
C[NH+]1CCC(C(=O)N2CCC([NH2+]Cc3ccc(C#N)cc3)CC2)CC1	ZINC000996946133	703214739	/nfs/dbraw/zinc/21/47/39/703214739.db2.gz	OYODXPMGLLZZCH-UHFFFAOYSA-N	2	0	340.471	1.981	20	30		EDEDRP
C[C@@H]1CC[N@H+](CC(=O)N2CCC([NH2+]Cc3cccc(C#N)c3)CC2)C1	ZINC000996993718	703250106	/nfs/dbraw/zinc/25/01/06/703250106.db2.gz	DDQGNHBQSXPASS-MRXNPFEDSA-N	2	0	340.471	1.981	20	30		EDEDRP
C[C@H]1C[N@H+](Cc2ccccc2C#N)CC[C@H]1NC(=O)C[NH+]1CCCC1	ZINC000944942725	704794947	/nfs/dbraw/zinc/79/49/47/704794947.db2.gz	CKUGUMIBRFTKBS-QFBILLFUSA-N	2	0	340.471	1.981	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CC3CCC3)C[C@H]2C)CC1	ZINC000945179401	705211015	/nfs/dbraw/zinc/21/10/15/705211015.db2.gz	IJNWSMJBTSRBTP-APWZRJJASA-N	2	0	331.504	1.958	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](CC3CCC3)C[C@H]2C)CC1	ZINC000945179404	705211186	/nfs/dbraw/zinc/21/11/86/705211186.db2.gz	IJNWSMJBTSRBTP-VQIMIIECSA-N	2	0	331.504	1.958	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)N2CC[C@H](C(F)(F)F)[C@H]([NH2+]CC)C2)CC1	ZINC000998312429	705726245	/nfs/dbraw/zinc/72/62/45/705726245.db2.gz	JTZUIMGHCXNVLL-LSDHHAIUSA-N	2	0	345.409	1.721	20	30		EDEDRP
C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2ccccc2C#N)C1	ZINC000998718523	706150056	/nfs/dbraw/zinc/15/00/56/706150056.db2.gz	CDJJPAXAPBQWPB-ROUUACIJSA-N	2	0	326.444	1.733	20	30		EDEDRP
C=CCC[NH+]1CC[C@@H](n2cc(CNC(=O)[C@H]3CCCC[N@H+]3C)nn2)C1	ZINC000999995178	707673528	/nfs/dbraw/zinc/67/35/28/707673528.db2.gz	DRYYFTOEZVAMNR-IAGOWNOFSA-N	2	0	346.479	1.202	20	30		EDEDRP
C=C(C)C[NH+]1CC[C@@H](n2cc(CNC(=O)[C@H]3CCCC[N@H+]3C)nn2)C1	ZINC000999996442	707676341	/nfs/dbraw/zinc/67/63/41/707676341.db2.gz	JIVVCBQZGSWNDJ-IAGOWNOFSA-N	2	0	346.479	1.202	20	30		EDEDRP
CN(C(=O)C1CC[NH+](C)CC1)[C@H]1CC[N@H+](Cc2ccc(C#N)cc2)C1	ZINC001033390628	707765037	/nfs/dbraw/zinc/76/50/37/707765037.db2.gz	LBUDMGWGUJFCGJ-IBGZPJMESA-N	2	0	340.471	1.933	20	30		EDEDRP
CN(C(=O)C[C@@H]1CC[NH+](C)C1)[C@H]1CC[N@H+](Cc2cccc(C#N)c2)C1	ZINC001033580648	708261896	/nfs/dbraw/zinc/26/18/96/708261896.db2.gz	GHVCKHPAWZTGTO-OALUTQOASA-N	2	0	340.471	1.933	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)N(C)[C@@H]2CC[N@H+](CC[C@H]3CCOC3)C2)CC1	ZINC001033685480	708499548	/nfs/dbraw/zinc/49/95/48/708499548.db2.gz	UCVWOZFQHYYVBR-PKOBYXMFSA-N	2	0	347.503	1.291	20	30		EDEDRP
C[N@@H+]1CC[C@H](C(=O)NCC2CC[NH+](CC#Cc3ccccc3)CC2)C1	ZINC001002121225	708635088	/nfs/dbraw/zinc/63/50/88/708635088.db2.gz	QUILQCONEXLKKN-FQEVSTJZSA-N	2	0	339.483	1.818	20	30		EDEDRP
C#CCC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[NH+]2C2CCOCC2)C1	ZINC001033139641	711935961	/nfs/dbraw/zinc/93/59/61/711935961.db2.gz	HLJFKGDRDPWPEH-ROUUACIJSA-N	2	0	333.476	1.186	20	30		EDEDRP
C[C@@H]1CCC[C@](CNC(=O)NC[C@@H]2C[N@H+](C)CCN2C)([NH+](C)C)C1	ZINC000329444518	539437609	/nfs/dbraw/zinc/43/76/09/539437609.db2.gz	LPGSWXAXPYZKMP-NUJGCVRESA-N	2	0	339.528	1.246	20	30		EDEDRP
CN(C)C(=[NH+]CCC[N@@H+]1CCN(C)C[C@H]1c1ccccc1)N(C)C	ZINC000104169373	237059369	/nfs/dbraw/zinc/05/93/69/237059369.db2.gz	JZTXBYAVFSALBL-SFHVURJKSA-N	2	0	331.508	1.844	20	30		EDEDRP
COCCNC(=[NH2+])NCCCOC1CC[NH+](Cc2ccccc2)CC1	ZINC000176397598	237340096	/nfs/dbraw/zinc/34/00/96/237340096.db2.gz	QHPVLBHBZTUEDF-UHFFFAOYSA-N	2	0	348.491	1.608	20	30		EDEDRP
C=CCOc1ccccc1C[N@@H+]1CCC[C@@H](N2CCNCC2=O)C1	ZINC000362688446	250183214	/nfs/dbraw/zinc/18/32/14/250183214.db2.gz	ZOKVYYLFUCYELP-QGZVFWFLSA-N	2	0	329.444	1.648	20	30		EDEDRP
CN(CCC#N)C(=O)CC[NH+]1CCC(C)(C[NH+]2CCOCC2)CC1	ZINC000373185546	250233825	/nfs/dbraw/zinc/23/38/25/250233825.db2.gz	JNZHGRBGEJABLJ-UHFFFAOYSA-N	2	0	336.480	1.183	20	30		EDEDRP
COC[C@@H](CCC[NH3+])[NH2+]C1CCC(Oc2ncccc2C#N)CC1	ZINC000423059128	252030314	/nfs/dbraw/zinc/03/03/14/252030314.db2.gz	LFDQNBJLSRYAFY-AQFXKWCLSA-N	2	0	332.448	1.987	20	30		EDEDRP
N#CCCC[C@H]([NH3+])C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1	ZINC000424176254	252154560	/nfs/dbraw/zinc/15/45/60/252154560.db2.gz	RRNLDPZIJLADKA-MSOLQXFVSA-N	2	0	344.459	1.415	20	30		EDEDRP
C[NH+]1CCC2(CCC[N@H+](CC(=O)NCc3ccc(C#N)cc3)C2)CC1	ZINC000367198271	154037875	/nfs/dbraw/zinc/03/78/75/154037875.db2.gz	AEHNPWUSBVGIKN-UHFFFAOYSA-N	2	0	340.471	1.982	20	30		EDEDRP
CC(C)[C@@H](C[NH2+]Cc1cnc2ccc(C#N)cn12)N1CC[NH+](C)CC1	ZINC000123259448	222245825	/nfs/dbraw/zinc/24/58/25/222245825.db2.gz	UXFGXGVFWGTRLR-GOSISDBHSA-N	2	0	340.475	1.568	20	30		EDEDRP
CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccnc(C#N)c1	ZINC000193053366	279303101	/nfs/dbraw/zinc/30/31/01/279303101.db2.gz	KCTJOXQMRDPCDQ-QGZVFWFLSA-N	2	0	329.448	1.441	20	30		EDEDRP
CCOC(=O)N1CCC(NC(=[NH2+])NC[C@@H](CC(C)C)[NH+](C)C)CC1	ZINC000104160405	441190619	/nfs/dbraw/zinc/19/06/19/441190619.db2.gz	AOZOGBWGPKDCPP-OAHLLOKOSA-N	2	0	341.500	1.488	20	30		EDEDRP
C[NH+]=C(NCC(=O)Nc1cccc(F)c1)N[C@H]1C[N@@H+](C(C)C)C[C@H]1C	ZINC000158541292	441745407	/nfs/dbraw/zinc/74/54/07/441745407.db2.gz	PMJMRUQLCUGGEF-CJNGLKHVSA-N	2	0	349.454	1.658	20	30		EDEDRP
CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCC1CCN(c2cc[nH+]cc2)CC1	ZINC000179738416	442496646	/nfs/dbraw/zinc/49/66/46/442496646.db2.gz	YPTQWZNDIKSVPP-SFHVURJKSA-N	3	0	344.507	1.687	20	30		EDEDRP
C=C(C)C[NH+]1CCC(NC(=O)N2CC[N@@H+](C[C@@H](C)O)[C@@H](C)C2)CC1	ZINC000180760034	442657570	/nfs/dbraw/zinc/65/75/70/442657570.db2.gz	BKRJYUBIRIUVBW-JKSUJKDBSA-N	2	0	338.496	1.123	20	30		EDEDRP
CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Cc1ccc(C#N)cc1	ZINC000194873595	442963805	/nfs/dbraw/zinc/96/38/05/442963805.db2.gz	DYXBTGCUXUQACD-IBGZPJMESA-N	2	0	342.487	1.975	20	30		EDEDRP
C[NH+]=C(NC[C@H](O)c1cccc(OC)c1)N1CC[C@@H]([NH+]2CC=CC2)C1	ZINC000262761777	443211014	/nfs/dbraw/zinc/21/10/14/443211014.db2.gz	DMTOEVWXGITRDI-AEFFLSMTSA-N	2	0	344.459	1.250	20	30		EDEDRP
CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H](c1cccc(OC)c1)N(C)C	ZINC000264056204	443247756	/nfs/dbraw/zinc/24/77/56/443247756.db2.gz	AXLBXDREQOTHLS-WMZOPIPTSA-N	2	0	347.507	1.687	20	30		EDEDRP
CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1cccc2c1OCCCO2	ZINC000269306633	443276116	/nfs/dbraw/zinc/27/61/16/443276116.db2.gz	UALODSVWNCSDJJ-OAHLLOKOSA-N	2	0	332.448	1.737	20	30		EDEDRP
C[C@H]([NH2+]CCCN1CCC[C@H]1C(N)=O)c1ccc(OCC#N)cc1	ZINC000271919247	443517685	/nfs/dbraw/zinc/51/76/85/443517685.db2.gz	ZQCLUKAIXKNPAM-YOEHRIQHSA-N	2	0	330.432	1.579	20	30		EDEDRP
C[NH+](C)C1CCN(CCNC(=[NH2+])Nc2cc(F)ccc2F)CC1	ZINC000288790799	443983407	/nfs/dbraw/zinc/98/34/07/443983407.db2.gz	XUNGVJKLCSJQGY-UHFFFAOYSA-N	2	0	325.407	1.717	20	30		EDEDRP
C#CC[N@@H+](C)CCCNC(=O)N[C@H](C)[C@@H](c1ccccc1)[NH+](C)C	ZINC000297531486	444297505	/nfs/dbraw/zinc/29/75/05/444297505.db2.gz	AMTWFRBDGYRSHG-AEFFLSMTSA-N	2	0	330.476	1.932	20	30		EDEDRP
Cn1ccnc1[C@@H]1CN(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)CCN1C	ZINC000329957853	444786359	/nfs/dbraw/zinc/78/63/59/444786359.db2.gz	MDAXIDGDFRFLQO-HOCLYGCPSA-N	2	0	346.479	1.107	20	30		EDEDRP
C[C@@H]1C[C@H](NC(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)CC[N@@H+]1C	ZINC000330125525	444853271	/nfs/dbraw/zinc/85/32/71/444853271.db2.gz	BPBFIJCTCPFJOC-DZUCGIPZSA-N	2	0	338.496	1.351	20	30		EDEDRP
CCN(CCC#N)C(=O)C[NH+]1CCC2(C[C@H]2C[N@H+](C)C2CC2)CC1	ZINC000367210033	446521475	/nfs/dbraw/zinc/52/14/75/446521475.db2.gz	YWVZVAFJGCOESZ-INIZCTEOSA-N	2	0	332.492	1.945	20	30		EDEDRP
C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2CCC[N@H+](CCCO)C2)CC1	ZINC000458312275	447766207	/nfs/dbraw/zinc/76/62/07/447766207.db2.gz	BFVNHWPCIDGZTG-QGZVFWFLSA-N	2	0	338.496	1.173	20	30		EDEDRP
C#CCNC(=O)CC[NH2+]Cc1ccc(CN2CC[NH+](CC)CC2)cc1	ZINC000491451349	448030647	/nfs/dbraw/zinc/03/06/47/448030647.db2.gz	FLLGCDJXGBVOAX-UHFFFAOYSA-N	2	0	342.487	1.053	20	30		EDEDRP
CN(CCC#N)C[C@@H](O)C[NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2)C1	ZINC000591729033	448474582	/nfs/dbraw/zinc/47/45/82/448474582.db2.gz	UNANOIWYZOFAAW-UXHICEINSA-N	2	0	344.503	1.695	20	30		EDEDRP
C[NH+]1CCN(C[C@H](NC(=O)[C@H]([NH3+])CCCC#N)c2ccccc2)CC1	ZINC000584836273	448649495	/nfs/dbraw/zinc/64/94/95/448649495.db2.gz	JKXZEFTUFQXAOM-MSOLQXFVSA-N	2	0	343.475	1.112	20	30		EDEDRP
N#CCc1ccc(OC[C@H](O)C[NH2+][C@H]2CCN3CCCC[C@@H]23)cc1	ZINC000579111146	448717425	/nfs/dbraw/zinc/71/74/25/448717425.db2.gz	URULQHNJVCNTQO-NEWSRXKRSA-N	2	0	329.444	1.709	20	30		EDEDRP
Cc1cc(C[NH2+]CC2(N3CCOCC3)CC[NH+](C)CC2)ccc1C#N	ZINC000574138634	448799179	/nfs/dbraw/zinc/79/91/79/448799179.db2.gz	TWFZOBBFBOERIJ-UHFFFAOYSA-N	2	0	342.487	1.753	20	30		EDEDRP
C[C@@H]([NH3+])C[C@H](C)NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1	ZINC000568878647	448934828	/nfs/dbraw/zinc/93/48/28/448934828.db2.gz	RCLKVXHQGSAIOR-CVEARBPZSA-N	2	0	343.475	1.901	20	30		EDEDRP
N#Cc1ccc(OC[C@@H](O)C[NH2+]C2CC[NH+](C3CCC3)CC2)cc1	ZINC000579828072	448888463	/nfs/dbraw/zinc/88/84/63/448888463.db2.gz	BWSQNVAYBVLHGX-SFHVURJKSA-N	2	0	329.444	1.904	20	30		EDEDRP
N#Cc1cccc(C[NH+]2CCC(NC(=O)N3CC[C@@H](C[NH3+])C3)CC2)c1	ZINC000593719609	449159382	/nfs/dbraw/zinc/15/93/82/449159382.db2.gz	FYMHHAUSWMBIGB-KRWDZBQOSA-N	2	0	341.459	1.513	20	30		EDEDRP
N#Cc1cccc(C[NH+]2CCC(NC(=O)N3CCC[C@@H]([NH3+])C3)CC2)c1	ZINC000593722562	449160093	/nfs/dbraw/zinc/16/00/93/449160093.db2.gz	WSJDHFDQSMGMDO-QGZVFWFLSA-N	2	0	341.459	1.655	20	30		EDEDRP
N#Cc1cccc(C[NH+]2CCC(NC(=O)C[NH2+]CC3CC3)CC2)c1	ZINC000593919179	449287676	/nfs/dbraw/zinc/28/76/76/449287676.db2.gz	RBUOGTANNYQWPO-UHFFFAOYSA-N	2	0	326.444	1.638	20	30		EDEDRP
N#Cc1cccc(C[NH+]2CCC(NC(=O)[C@H]3CCO[C@H]3C[NH3+])CC2)c1	ZINC000595959021	449282423	/nfs/dbraw/zinc/28/24/23/449282423.db2.gz	LIACLQPYQRLOHB-ROUUACIJSA-N	2	0	342.443	1.003	20	30		EDEDRP
C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)Cc1ccc(C#N)nc1	ZINC000599467104	449997093	/nfs/dbraw/zinc/99/70/93/449997093.db2.gz	RVPWJHPLCJDZHM-UHFFFAOYSA-N	2	0	331.464	1.228	20	30		EDEDRP
C=CC[NH+](CC=C)[C@H](CNC(=O)c1c[nH]nc1[C@H]1CC[NH2+]C1)C(C)C	ZINC000662379995	453089640	/nfs/dbraw/zinc/08/96/40/453089640.db2.gz	HSQAHKJAEJCUDP-DOTOQJQBSA-N	2	0	345.491	1.915	20	30		EDEDRP
C=CCCn1cc(CNc2c[nH+]ccc2N2CC[NH+](C)CC2)nn1	ZINC000657417016	453784211	/nfs/dbraw/zinc/78/42/11/453784211.db2.gz	RQQKQXYFIVGYPT-UHFFFAOYSA-N	2	0	327.436	1.613	20	30		EDEDRP
C#CCOc1ccc(C[N@H+]2CC[C@@H](N3CC[NH+](CC)CC3)C2)cc1	ZINC000093133090	527101623	/nfs/dbraw/zinc/10/16/23/527101623.db2.gz	JSFDZDRRWMLANM-LJQANCHMSA-N	2	0	327.472	1.910	20	30		EDEDRP
C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1ccc(OCC#N)cc1	ZINC000776157880	580409956	/nfs/dbraw/zinc/40/99/56/580409956.db2.gz	UEGWHZRPONVGAT-NVXWUHKLSA-N	2	0	344.459	1.827	20	30		EDEDRP
C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)C[N@H+](C)C1CCC1	ZINC000900416454	592013116	/nfs/dbraw/zinc/01/31/16/592013116.db2.gz	DZBKRNIQCRGGRQ-UHFFFAOYSA-N	2	0	328.460	1.933	20	30		EDEDRP
Cc1cc(C#N)cc(C)c1C[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1	ZINC000903421683	592170667	/nfs/dbraw/zinc/17/06/67/592170667.db2.gz	RFPHURJIPBWQCM-SFHVURJKSA-N	2	0	340.471	1.819	20	30		EDEDRP
N#CC1CCC(C[N@H+]2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)CC1	ZINC000903445624	592173126	/nfs/dbraw/zinc/17/31/26/592173126.db2.gz	MMCWYFLPCBRKBI-FOIPXRHGSA-N	2	0	332.492	1.897	20	30		EDEDRP
O=C(C#CC1CC[NH2+]CC1)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1	ZINC000852868981	595588469	/nfs/dbraw/zinc/58/84/69/595588469.db2.gz	RNWOKNNVVJNCNX-IBGZPJMESA-N	2	0	325.456	1.770	20	30		EDEDRP
C#CCOCC[NH+]1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1	ZINC000851863852	595952739	/nfs/dbraw/zinc/95/27/39/595952739.db2.gz	RPKZITMXJNNUCL-UHFFFAOYSA-N	2	0	335.492	1.340	20	30		EDEDRP
C[NH+](C)[C@@H]1CCC[C@H](NC(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)C1	ZINC000867961944	596636101	/nfs/dbraw/zinc/63/61/01/596636101.db2.gz	ILRDAPPNUQFUQC-LZLYRXPVSA-N	2	0	326.444	1.734	20	30		EDEDRP
C[NH+](C)C[C@@H]1CN(C(=O)c2ccccc2OCC#N)C[C@H]1C[NH+](C)C	ZINC000870023391	596713074	/nfs/dbraw/zinc/71/30/74/596713074.db2.gz	WSXMINHQOLTQCI-HZPDHXFCSA-N	2	0	344.459	1.400	20	30		EDEDRP
C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1	ZINC000876879328	597367137	/nfs/dbraw/zinc/36/71/37/597367137.db2.gz	QFTUHRHBXKZIQL-LSDHHAIUSA-N	2	0	328.888	1.085	20	30		EDEDRP
C[NH+](Cc1cc(C#N)cc(C[N@@H+](C)[C@H]2CCOC2)c1)[C@@H]1CCOC1	ZINC000878084257	597576997	/nfs/dbraw/zinc/57/69/97/597576997.db2.gz	QBVQYPJMSXANTN-KDURUIRLSA-N	2	0	329.444	2.000	20	30		EDEDRP
C[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1[NH2+]Cc1ccc(C#N)cc1	ZINC000939543893	699685089	/nfs/dbraw/zinc/68/50/89/699685089.db2.gz	GWSZIVILPOUGHE-MAUKXSAKSA-N	2	0	338.455	1.591	20	30		EDEDRP
C#CCC[N@H+]1CC[C@@H](NC(=O)[C@H]2CN(C(C)C)CCO2)C(C)(C)C1	ZINC000940973467	701015471	/nfs/dbraw/zinc/01/54/71/701015471.db2.gz	VJVOMWFSWNWCHQ-IAGOWNOFSA-N	2	0	335.492	1.336	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)NCC2C[NH+](C[C@H](OC)C3CCC3)C2)CC1	ZINC001032207142	702176029	/nfs/dbraw/zinc/17/60/29/702176029.db2.gz	FQHQNPIMPFKYFZ-IBGZPJMESA-N	2	0	347.503	1.195	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)N[C@H]2CC[C@H](C[NH2+]Cc3ccon3)C2)CC1	ZINC000995239284	702892374	/nfs/dbraw/zinc/89/23/74/702892374.db2.gz	YHTJIFARPXLRJI-RDJZCZTQSA-N	2	0	344.459	1.394	20	30		EDEDRP
C#CCN1CCC[C@H]1C(=O)N1CCC([NH2+]Cc2cncc(C)c2)CC1	ZINC000996685361	702982993	/nfs/dbraw/zinc/98/29/93/702982993.db2.gz	OXXPREMZDRSIKM-IBGZPJMESA-N	2	0	340.471	1.568	20	30		EDEDRP
C#CCN1CCC[C@H]1C(=O)N1CCC([NH2+]Cc2ccccc2)CC1	ZINC000996686429	702992947	/nfs/dbraw/zinc/99/29/47/702992947.db2.gz	TZAMFBDEHHCZKU-IBGZPJMESA-N	2	0	325.456	1.865	20	30		EDEDRP
C=C(Cl)C[NH2+]C1CCN(C(=O)COC2CC[NH+](C)CC2)CC1	ZINC000997127392	703386296	/nfs/dbraw/zinc/38/62/96/703386296.db2.gz	PXHNNTQVDGEMKX-UHFFFAOYSA-N	2	0	329.872	1.430	20	30		EDEDRP
N#Cc1ccc(F)c(C[NH2+]C2CCN(C(=O)C[NH+]3CCCC3)CC2)c1	ZINC000997308075	703566222	/nfs/dbraw/zinc/56/62/22/703566222.db2.gz	ZEURIKCOOXXXNB-UHFFFAOYSA-N	2	0	344.434	1.874	20	30		EDEDRP
C#CCC[NH+]1CCC([C@@H](C)NC(=O)c2cnn(CC[NH+](C)C)c2)CC1	ZINC000997348691	703576620	/nfs/dbraw/zinc/57/66/20/703576620.db2.gz	PWMIGVBQCLDKEL-MRXNPFEDSA-N	2	0	345.491	1.298	20	30		EDEDRP
C=CCC[NH+]1CCC([C@H](C)NC(=O)c2cnn(CC[NH+](C)C)c2)CC1	ZINC000997792960	704699163	/nfs/dbraw/zinc/69/91/63/704699163.db2.gz	FSJXZGRMDIJZHY-INIZCTEOSA-N	2	0	347.507	1.851	20	30		EDEDRP
CN(C(=O)C[C@H]1CC[N@H+](C)C1)C1CC([NH2+]Cc2cccc(C#N)c2)C1	ZINC000999683097	707203251	/nfs/dbraw/zinc/20/32/51/707203251.db2.gz	VYPZPTIHLIWTEA-LMDPOFIKSA-N	2	0	340.471	1.979	20	30		EDEDRP
C[NH+]=C(NCC1(SC)CCOCC1)NC1CC[NH+](C2CC2)CC1	ZINC000086710653	707381692	/nfs/dbraw/zinc/38/16/92/707381692.db2.gz	NIRHBOJMANJZSV-UHFFFAOYSA-N	2	0	340.537	1.690	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CC2CCCC2)CC1	ZINC001032800465	708080931	/nfs/dbraw/zinc/08/09/31/708080931.db2.gz	KCPVKUCXOFYLOT-OALUTQOASA-N	2	0	329.488	1.807	20	30		EDEDRP
CC#CC[NH+]1CCC(CNC(=O)C2CC[NH+](CC3CC3)CC2)CC1	ZINC001002029468	708550680	/nfs/dbraw/zinc/55/06/80/708550680.db2.gz	IRIAJDNCVSMDBK-UHFFFAOYSA-N	2	0	331.504	1.960	20	30		EDEDRP
C=CCC[N@@H+]1CCCC[C@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1	ZINC001034318644	709768315	/nfs/dbraw/zinc/76/83/15/709768315.db2.gz	CTMPRNNOIBQWKE-DHADLLTHSA-N	2	0	333.476	1.396	20	30		EDEDRP
C#CCN(C(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C)C1CC[NH+](C)CC1	ZINC000922255637	710527208	/nfs/dbraw/zinc/52/72/08/710527208.db2.gz	VVKGZPNRMBXOSG-KRWDZBQOSA-N	2	0	334.508	1.846	20	30		EDEDRP
CN(C)C(=[NH+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1)N(C)C	ZINC000263215463	249329492	/nfs/dbraw/zinc/32/94/92/249329492.db2.gz	ZUKOVKPUGXJSDI-UHFFFAOYSA-N	2	0	345.491	1.363	20	30		EDEDRP
N#Cc1ccc(N2CCC([NH2+]C[C@@H](O)C[NH+]3CCCCC3)CC2)cc1	ZINC000285893295	268107021	/nfs/dbraw/zinc/10/70/21/268107021.db2.gz	CJZDRNSGECBXJF-HXUWFJFHSA-N	2	0	342.487	1.963	20	30		EDEDRP
C[C@H](C(=O)N(C)CCC#N)[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1	ZINC000374853786	278134541	/nfs/dbraw/zinc/13/45/41/278134541.db2.gz	LHLSQNGRHHZUTK-MRXNPFEDSA-N	2	0	343.475	1.990	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)NCC[N@@H+]2CCc3ccccc3C2)CC1	ZINC000057155529	441093468	/nfs/dbraw/zinc/09/34/68/441093468.db2.gz	HNVHIWRSSKDUHM-UHFFFAOYSA-N	2	0	325.456	1.506	20	30		EDEDRP
CCOC(=O)N1CCC(NC(=[NH2+])NC[C@@H](C)[NH+](CC)CC)CC1	ZINC000104167128	441191011	/nfs/dbraw/zinc/19/10/11/441191011.db2.gz	HJMYGHBADHUBRY-CYBMUJFWSA-N	2	0	327.473	1.242	20	30		EDEDRP
C=CC[NH+]1CCC(NC(=O)C2([NH+](C)C)Cc3ccccc3C2)CC1	ZINC000073436761	441317305	/nfs/dbraw/zinc/31/73/05/441317305.db2.gz	BPJWOLVTDWXSER-UHFFFAOYSA-N	2	0	327.472	1.852	20	30		EDEDRP
COc1ccccc1CNC(=[NH2+])NC[C@H](C(C)C)N1CC[NH+](C)CC1	ZINC000170910338	442287266	/nfs/dbraw/zinc/28/72/66/442287266.db2.gz	FVJZZPMRUMGIRA-QGZVFWFLSA-N	2	0	347.507	1.372	20	30		EDEDRP
N#Cc1ccc(C[NH2+]CCCN2CCN(c3cc[nH+]cc3)CC2)o1	ZINC000266208141	443058341	/nfs/dbraw/zinc/05/83/41/443058341.db2.gz	NDUJPAXGJHIOAU-UHFFFAOYSA-N	2	0	325.416	1.848	20	30		EDEDRP
CC[NH+]=C(NCCn1ccnc1)N1CC[C@H](C)[C@H](n2ccnc2)C1	ZINC000261982111	443178143	/nfs/dbraw/zinc/17/81/43/443178143.db2.gz	PEHXMLVTWANZFB-JKSUJKDBSA-N	3	0	329.452	1.628	20	30		EDEDRP
C[NH+]=C(NC[C@H](O)c1ccc(OC)cc1)N1CC[C@@H]([NH+]2CC=CC2)C1	ZINC000262765896	443211430	/nfs/dbraw/zinc/21/14/30/443211430.db2.gz	FZBPCBHCQMRGHW-AEFFLSMTSA-N	2	0	344.459	1.250	20	30		EDEDRP
C=CC[NH+](CC=C)[C@@H](CNC(=O)NC[C@@](C)(O)C[NH+](C)C)C(C)C	ZINC000269935419	443456371	/nfs/dbraw/zinc/45/63/71/443456371.db2.gz	VGFKEDSOHZJZNQ-FUHWJXTLSA-N	2	0	340.512	1.297	20	30		EDEDRP
C[NH+]1CCC(O)(C[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)CC1	ZINC000286299335	443686265	/nfs/dbraw/zinc/68/62/65/443686265.db2.gz	WOVBYJUQHYKBBK-UHFFFAOYSA-N	2	0	328.460	1.573	20	30		EDEDRP
C#CCNC(=O)CC[NH2+]C1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C	ZINC000294519269	444120187	/nfs/dbraw/zinc/12/01/87/444120187.db2.gz	JCGAYSBKVHXIRS-IAGOWNOFSA-N	2	0	327.472	1.872	20	30		EDEDRP
C#CC[N@H+](C)CCCNC(=O)NCCNc1ccc2ccccc2n1	ZINC000297163484	444276871	/nfs/dbraw/zinc/27/68/71/444276871.db2.gz	AFTANUNDYFCTMV-UHFFFAOYSA-N	2	0	339.443	1.901	20	30		EDEDRP
C=CCN(CC=C)C(=O)C[NH+]1CCC(CC[NH+]2CCOCC2)CC1	ZINC000360255638	445659956	/nfs/dbraw/zinc/65/99/56/445659956.db2.gz	VXXQTVKCVPEFQD-UHFFFAOYSA-N	2	0	335.492	1.621	20	30		EDEDRP
N#Cc1cccc(CNC(=O)CN2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@@H]3C2)c1	ZINC000363180991	445710310	/nfs/dbraw/zinc/71/03/10/445710310.db2.gz	PFCJEQRWSQAXJS-GUDVDZBRSA-N	2	0	338.455	1.591	20	30		EDEDRP
C=CCN(CC=C)C(=O)CN1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1	ZINC000375817847	447077530	/nfs/dbraw/zinc/07/75/30/447077530.db2.gz	VHEMLWWSGUZGTH-MSOLQXFVSA-N	2	0	334.508	1.145	20	30		EDEDRP
CC[NH+]1CCN(CC(C)(C)[NH2+]CCOc2ccc(C#N)cc2)CC1	ZINC000451995025	447798441	/nfs/dbraw/zinc/79/84/41/447798441.db2.gz	WQWFTDRTEAFNGT-UHFFFAOYSA-N	2	0	330.476	1.943	20	30		EDEDRP
C#CC[N@H+](C)CCCNC(=O)N1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1	ZINC000491805352	448133521	/nfs/dbraw/zinc/13/35/21/448133521.db2.gz	OECKXSSFTJOUJH-AEFFLSMTSA-N	2	0	332.492	1.600	20	30		EDEDRP
C[C@@H]1C[N@H+](CCC[NH2+]C[C@@H](O)COc2ccc(C#N)cc2)CCCO1	ZINC000577502888	448315447	/nfs/dbraw/zinc/31/54/47/448315447.db2.gz	IISBDVZTFSUCBD-SJLPKXTDSA-N	2	0	347.459	1.388	20	30		EDEDRP
CC(C)[C@@H]1C[NH+](C)CCN1CC#CCN1CC[N@@H+](C)C[C@H]1C(C)C	ZINC000579584689	448827318	/nfs/dbraw/zinc/82/73/18/448827318.db2.gz	JPXJRJWQGXLDGA-PMACEKPBSA-N	2	0	334.552	1.534	20	30		EDEDRP
C[C@@H]([NH3+])[C@H](C)NC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000593715625	449158034	/nfs/dbraw/zinc/15/80/34/449158034.db2.gz	MSCOCCKBZDEKLO-KGLIPLIRSA-N	2	0	329.448	1.558	20	30		EDEDRP
C=CCn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1CC[NH+](CC)CC1	ZINC000669033482	485582783	/nfs/dbraw/zinc/58/27/83/485582783.db2.gz	QAEWBNVJYYTMGN-CVEARBPZSA-N	2	0	346.479	1.142	20	30		EDEDRP
CC[NH+]=C(NCc1c(C)nn(C)c1C)N1CC[C@@H]([NH+]2CC=CC2)C1	ZINC000125126704	528815946	/nfs/dbraw/zinc/81/59/46/528815946.db2.gz	UHNAJXAWPKJVSY-MRXNPFEDSA-N	2	0	330.480	1.449	20	30		EDEDRP
N#Cc1cccc(C[NH+]2CCC(NC(=O)NC[C@H]3C[C@@H]([NH3+])C3)CC2)c1	ZINC000892232867	590877252	/nfs/dbraw/zinc/87/72/52/590877252.db2.gz	OOUDZOSECNCSTD-CALCHBBNSA-N	2	0	341.459	1.559	20	30		EDEDRP
C=C(C)C[NH+]1CCC(NC(=O)N2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)CC1	ZINC000891519958	591104929	/nfs/dbraw/zinc/10/49/29/591104929.db2.gz	COQKCWXTRJIVLB-JSGCOSHPSA-N	2	0	348.413	1.806	20	30		EDEDRP
CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]C[C@H](O)CC#N)CC1	ZINC000809577738	593347458	/nfs/dbraw/zinc/34/74/58/593347458.db2.gz	BGNPQCLPKFIWEW-GOEBONIOSA-N	2	0	334.439	1.893	20	30		EDEDRP
C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)C#CC2CC[NH2+]CC2)CC1	ZINC000852887016	595598670	/nfs/dbraw/zinc/59/86/70/595598670.db2.gz	CWTZWTZLSGLYMF-INIZCTEOSA-N	2	0	340.471	1.726	20	30		EDEDRP
C#CCC[NH+]1CCC(NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)CC1	ZINC000859524803	596121573	/nfs/dbraw/zinc/12/15/73/596121573.db2.gz	IZMJUCRGCSPGSU-UXHICEINSA-N	2	0	339.483	1.936	20	30		EDEDRP
C[NH+](C)CCn1ccc(NC(=O)[C@@H]2NCCc3cc(C#N)ccc32)n1	ZINC000867957835	596634575	/nfs/dbraw/zinc/63/45/75/596634575.db2.gz	AAQPCFRIXDHBFU-QGZVFWFLSA-N	2	0	338.415	1.142	20	30		EDEDRP
C[NH+](C)CCOc1cccc(NC(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)c1	ZINC000884185811	598018581	/nfs/dbraw/zinc/01/85/81/598018581.db2.gz	IJYLGCMCAKHHHO-HVEKOLDVSA-N	2	0	342.443	1.705	20	30		EDEDRP
N#C[C@@H]1C[NH2+]CC12CC(C(=O)N1CCC(C[NH+]3CCCC3)CC1)C2	ZINC000884189297	598020532	/nfs/dbraw/zinc/02/05/32/598020532.db2.gz	BLVJUCVXKBKBPW-TVRKMHQQSA-N	2	0	330.476	1.460	20	30		EDEDRP
C[C@H](CNC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N)[N@H+](C)Cc1ccccc1	ZINC000884219907	598033031	/nfs/dbraw/zinc/03/30/31/598033031.db2.gz	AQEPHSREUQTBFX-FTSJTYPLSA-N	2	0	340.471	1.762	20	30		EDEDRP
N#C[C@H]1C[NH2+]CC12CC(C(=O)NCC1([NH3+])C3CC4CC(C3)CC1C4)C2	ZINC000884345932	598076815	/nfs/dbraw/zinc/07/68/15/598076815.db2.gz	TZZLYCWYFPZFSZ-ISAPUHEYSA-N	2	0	342.487	1.396	20	30		EDEDRP
C#CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)c3c[nH+]ccc3N(C)C)C[C@@H]21	ZINC000992852248	695408287	/nfs/dbraw/zinc/40/82/87/695408287.db2.gz	CHGVYBRJALFGTF-HYVNUMGLSA-N	2	0	326.444	1.611	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)N2C[C@@H]3CCC[C@@H]([NH2+]CCF)[C@@H]3C2)CC1	ZINC000992930731	695459830	/nfs/dbraw/zinc/45/98/30/695459830.db2.gz	HNWMTQXGBZEBJD-RCCFBDPRSA-N	2	0	335.467	1.518	20	30		EDEDRP
C#CCN(C(=O)NCC1CC[NH+](CCC)CC1)C1CC[NH+](C)CC1	ZINC000915678216	695967150	/nfs/dbraw/zinc/96/71/50/695967150.db2.gz	LTTVGWIJGBFKGX-UHFFFAOYSA-N	2	0	334.508	1.847	20	30		EDEDRP
C=CCC[NH+]1CC(N2CCN(C(=O)c3occc3C[NH+](C)C)CC2)C1	ZINC000941538177	701569697	/nfs/dbraw/zinc/56/96/97/701569697.db2.gz	VGVVHKSYNIIIDN-UHFFFAOYSA-N	2	0	346.475	1.359	20	30		EDEDRP
C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1[NH2+]Cc1ccc(C#N)s1	ZINC000939053982	699114162	/nfs/dbraw/zinc/11/41/62/699114162.db2.gz	CGVRZKLHYAVISL-CXAGYDPISA-N	2	0	346.500	1.898	20	30		EDEDRP
C=CCC[NH+]1CC(N2CCN(C(=O)[C@H](C)[NH+]3CCCCCC3)CC2)C1	ZINC000941594915	701587060	/nfs/dbraw/zinc/58/70/60/701587060.db2.gz	CUMHUYHNKDQQMJ-SFHVURJKSA-N	2	0	348.535	1.655	20	30		EDEDRP
C#CCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C(C)(C)C1	ZINC000940901660	700976646	/nfs/dbraw/zinc/97/66/46/700976646.db2.gz	PVPDEXXFZAVDDS-MUZJZNNISA-N	2	0	345.487	1.090	20	30		EDEDRP
C#CC[NH+]1CCC(NC(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)CC1	ZINC000921678153	706616407	/nfs/dbraw/zinc/61/64/07/706616407.db2.gz	ILXCSXMCHHMSCN-OALUTQOASA-N	2	0	340.471	1.829	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)NCC2C[NH+](Cc3ccccc3C)C2)CC1	ZINC001032207323	702156078	/nfs/dbraw/zinc/15/60/78/702156078.db2.gz	MWVUOAZPGRUZOA-UHFFFAOYSA-N	2	0	339.483	1.888	20	30		EDEDRP
C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)CC1(C)C	ZINC000995900409	702206206	/nfs/dbraw/zinc/20/62/06/702206206.db2.gz	XZMNVZLNMFMHRU-IAGOWNOFSA-N	2	0	333.476	1.090	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)N(CC)[C@@H]2CCC[N@H+](CC#C)CC2)CC1	ZINC000998198033	705503441	/nfs/dbraw/zinc/50/34/41/705503441.db2.gz	NAMCGXSTAZGPNH-LJQANCHMSA-N	2	0	329.488	1.668	20	30		EDEDRP
C=C(C)C[NH+]1CC[C@H](n2cc(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)nn2)C1	ZINC000999988419	707662318	/nfs/dbraw/zinc/66/23/18/707662318.db2.gz	UWAGEYFLSOONFS-HYVNUMGLSA-N	2	0	346.479	1.057	20	30		EDEDRP
C=CC[NH+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3CCC[N@H+]3C(C)C)nn2)C1	ZINC000999989943	707665202	/nfs/dbraw/zinc/66/52/02/707665202.db2.gz	IHNBZQQLHBODMS-SJORKVTESA-N	2	0	346.479	1.200	20	30		EDEDRP
Cc1cc(NC(=O)CON=C(N)c2ccc(C[NH+](C)C)cc2)no1	ZINC000266991126	249353618	/nfs/dbraw/zinc/35/36/18/249353618.db2.gz	AZFSOPYUPMJCLN-UHFFFAOYSA-N	2	0	331.376	1.320	20	30		EDEDRP
N#Cc1ccc(CN2CC[C@H](N[C@H]3CC[N@@H+]4CCC[C@H]4C3)C2=O)cc1	ZINC000249067680	139184579	/nfs/dbraw/zinc/18/45/79/139184579.db2.gz	PZBLPEPYUGFRKZ-FHWLQOOXSA-N	2	0	338.455	1.876	20	30		EDEDRP
N#CCCC[C@@H]([NH3+])C(=O)Nc1cccc(C[NH+]2CCC(CO)CC2)c1	ZINC000424143844	252141930	/nfs/dbraw/zinc/14/19/30/252141930.db2.gz	GNKBLMVRRXYTMT-GOSISDBHSA-N	2	0	344.459	1.851	20	30		EDEDRP
N#Cc1ncn(CC[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)n1	ZINC000367520758	154158968	/nfs/dbraw/zinc/15/89/68/154158968.db2.gz	YPDGBIDJCFHKBV-OKZBNKHCSA-N	2	0	336.443	1.650	20	30		EDEDRP
N#Cc1ccc(CNC(=O)CN2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@@H]3C2)cc1	ZINC000369598710	155103489	/nfs/dbraw/zinc/10/34/89/155103489.db2.gz	BTWKZUWGJCIYOE-QRVBRYPASA-N	2	0	338.455	1.591	20	30		EDEDRP
CC[NH+]=C(NC[C@]1(O)CCSC1)NC1CC[NH+](C2CC2)CC1	ZINC000127404384	276096028	/nfs/dbraw/zinc/09/60/28/276096028.db2.gz	KPIUHKCULKWFPK-MRXNPFEDSA-N	2	0	326.510	1.036	20	30		EDEDRP
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@H]1C[NH+]2CCC1CC2	ZINC000370612853	289144922	/nfs/dbraw/zinc/14/49/22/289144922.db2.gz	SDIRZMPDVFCXMX-IBGZPJMESA-N	2	0	340.471	1.790	20	30		EDEDRP
C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@@]1(CCOC)CC[NH2+]C1)C(C)C	ZINC000378201445	447408099	/nfs/dbraw/zinc/40/80/99/447408099.db2.gz	CYLOPJPOKIOLDP-PKOBYXMFSA-N	2	0	337.508	1.817	20	30		EDEDRP
CCC[N@H+](CC)CCNC(=[NH2+])NC1CCN(C(=O)OCC)CC1	ZINC000083052945	441347815	/nfs/dbraw/zinc/34/78/15/441347815.db2.gz	ZIFBMTZAKWITIE-UHFFFAOYSA-N	2	0	327.473	1.244	20	30		EDEDRP
COC[C@H](C)NC(=[NH2+])NCCC[NH+]1CCN(c2ccccc2)CC1	ZINC000264118564	443249704	/nfs/dbraw/zinc/24/97/04/443249704.db2.gz	UAWZWMOLUAYWRY-INIZCTEOSA-N	2	0	333.480	1.138	20	30		EDEDRP
COc1ccc(CCNC(=[NH2+])NC[C@@H](C)C[NH+]2CCCC2)cc1OC	ZINC000264115619	443249800	/nfs/dbraw/zinc/24/98/00/443249800.db2.gz	SNYYTXPQBCDUFD-OAHLLOKOSA-N	2	0	348.491	1.883	20	30		EDEDRP
C[C@H](CNC(=[NH2+])Nc1ccc2c(c1)CCC2)C[NH+]1CCN(C)CC1	ZINC000264085448	443248527	/nfs/dbraw/zinc/24/85/27/443248527.db2.gz	JGMAMLBRXKCDDA-OAHLLOKOSA-N	2	0	329.492	1.785	20	30		EDEDRP
C[NH+](C)[C@@H]1CCN(c2nc(N3CC[C@H]([NH+](C)C)C3)ccc2C#N)C1	ZINC000278479148	443343716	/nfs/dbraw/zinc/34/37/16/443343716.db2.gz	VDVKZTAIAVHLRD-JKSUJKDBSA-N	2	0	328.464	1.234	20	30		EDEDRP
CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](C)Oc1ccc(OC)cc1	ZINC000267468485	443468118	/nfs/dbraw/zinc/46/81/18/443468118.db2.gz	XCTSPNVMUAOSET-HUUCEWRRSA-N	2	0	334.464	1.851	20	30		EDEDRP
CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H](C)Oc1ccc(OC)cc1	ZINC000267468486	443468330	/nfs/dbraw/zinc/46/83/30/443468330.db2.gz	XCTSPNVMUAOSET-LSDHHAIUSA-N	2	0	334.464	1.851	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)N(C)CCC[N@H+](C)Cc2ccco2)CC1	ZINC000286363481	443698847	/nfs/dbraw/zinc/69/88/47/443698847.db2.gz	BZPMSJJRBYPKLB-UHFFFAOYSA-N	2	0	331.460	1.905	20	30		EDEDRP
Cn1nccc1[C@H]1[C@H](CNC(=O)[C@@H]2CN(C)CCO2)CCC[N@@H+]1C	ZINC000329191685	444496450	/nfs/dbraw/zinc/49/64/50/444496450.db2.gz	QNTUHCIILOHMJA-CWRNSKLLSA-N	2	0	335.452	1.090	20	30		EDEDRP
CN(CC#CCN(C)CC1([NH+](C)C)CCC1)CC1([NH+](C)C)CCC1	ZINC000342127189	444522196	/nfs/dbraw/zinc/52/21/96/444522196.db2.gz	KIGDXNGNKFSGIM-UHFFFAOYSA-N	2	0	334.552	1.822	20	30		EDEDRP
CC(C)[NH+]1CCC(N2CC[NH+](CCC(=O)N(C)CCC#N)CC2)CC1	ZINC000357011250	445375054	/nfs/dbraw/zinc/37/50/54/445375054.db2.gz	UPGDFJYEWNZQBC-UHFFFAOYSA-N	2	0	349.523	1.239	20	30		EDEDRP
C=CC[NH+]1CCC(NC(=O)N(CC[NH3+])CCc2ccccc2)CC1	ZINC000417525881	446361827	/nfs/dbraw/zinc/36/18/27/446361827.db2.gz	LRUPJVAPJMBMPX-UHFFFAOYSA-N	2	0	330.476	1.850	20	30		EDEDRP
COC[C@]1(C[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)CCC[NH2+]1	ZINC000423419837	446526675	/nfs/dbraw/zinc/52/66/75/446526675.db2.gz	WKQCCCMGSNJPLR-LJQANCHMSA-N	2	0	328.460	1.885	20	30		EDEDRP
C=CCN(CC=C)C(=O)[C@H](C)[N@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1	ZINC000367619825	446568782	/nfs/dbraw/zinc/56/87/82/446568782.db2.gz	WQBOUBHUQOCMHS-HKUYNNGSSA-N	2	0	348.535	1.676	20	30		EDEDRP
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CCC[NH2+]CC1	ZINC000591360298	448344438	/nfs/dbraw/zinc/34/44/38/448344438.db2.gz	IQTGHICQXDLGKP-SFHVURJKSA-N	2	0	343.475	1.774	20	30		EDEDRP
C[NH+]1CCN(Cc2ccc(NC(=O)[C@H]([NH3+])CCCC#N)cc2)CC1	ZINC000566168884	448401735	/nfs/dbraw/zinc/40/17/35/448401735.db2.gz	VYZNXMCYFRHSPN-QGZVFWFLSA-N	2	0	329.448	1.394	20	30		EDEDRP
C=CCc1ccccc1OC[C@H](O)C[NH2+][C@H](C)CN1CC[NH+](C)CC1	ZINC000566673758	448534991	/nfs/dbraw/zinc/53/49/91/448534991.db2.gz	ZKUUPQVPCONWPG-IEBWSBKVSA-N	2	0	347.503	1.380	20	30		EDEDRP
CC[C@@H]([NH3+])CNC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000593714877	449157940	/nfs/dbraw/zinc/15/79/40/449157940.db2.gz	FIJBXBRGSPPYLU-MRXNPFEDSA-N	2	0	329.448	1.559	20	30		EDEDRP
N#Cc1ccc(OC2CCC([NH2+]C[C@H](O)C[NH+]3CCCC3)CC2)nc1	ZINC000600733251	449523839	/nfs/dbraw/zinc/52/38/39/449523839.db2.gz	XVMPZIVBCVIKBL-ADKAHSJRSA-N	2	0	344.459	1.690	20	30		EDEDRP
C[NH+](C)CCNC(=O)c1cccc(C[NH2+]C[C@H](O)CC(C)(C)C#N)c1	ZINC000598720475	449561996	/nfs/dbraw/zinc/56/19/96/449561996.db2.gz	NOEUZEARFQTBOP-QGZVFWFLSA-N	2	0	346.475	1.368	20	30		EDEDRP
OC1(C2CC[NH+](CC#CC[NH+]3CCC(C4(O)CC4)CC3)CC2)CC1	ZINC000649671292	452190972	/nfs/dbraw/zinc/19/09/72/452190972.db2.gz	QFNXSVCSXFXPDI-UHFFFAOYSA-N	2	0	332.488	1.464	20	30		EDEDRP
C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1)C(C)C	ZINC000659436968	452283368	/nfs/dbraw/zinc/28/33/68/452283368.db2.gz	WOUJOQIRANIDBR-OAGGEKHMSA-N	2	0	326.460	1.766	20	30		EDEDRP
CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCc1cc(OC)ccc1OC	ZINC000264066160	535597315	/nfs/dbraw/zinc/59/73/15/535597315.db2.gz	FBNTXZLHUHCQMT-HNNXBMFYSA-N	2	0	334.464	1.635	20	30		EDEDRP
CC[NH+](CC)[C@@H](C)CNC(=[NH2+])NCCc1ccc(OC)c(OC)c1	ZINC000264065610	535637908	/nfs/dbraw/zinc/63/79/08/535637908.db2.gz	BBCLQESHRRNVSP-AWEZNQCLSA-N	2	0	336.480	1.881	20	30		EDEDRP
CC[NH+]1CCN(C[C@@H](C)C[NH2+]Cc2cnc3ccc(C#N)cn23)CC1	ZINC000123628167	535708757	/nfs/dbraw/zinc/70/87/57/535708757.db2.gz	MJBIUKZFXUJTDP-INIZCTEOSA-N	2	0	340.475	1.569	20	30		EDEDRP
CC[NH+]1CCN(C[C@H](C)C[NH2+]Cc2cnc3ccc(C#N)cn23)CC1	ZINC000123628479	535716534	/nfs/dbraw/zinc/71/65/34/535716534.db2.gz	MJBIUKZFXUJTDP-MRXNPFEDSA-N	2	0	340.475	1.569	20	30		EDEDRP
CC[NH+]1CCN(c2ccc(CNC(=[NH2+])N3CCSCC3)cn2)CC1	ZINC000104166010	590800491	/nfs/dbraw/zinc/80/04/91/590800491.db2.gz	HKNJKXZGYNWGPO-UHFFFAOYSA-N	2	0	348.520	1.087	20	30		EDEDRP
C=C(CC[NH+](C)C)C(=O)N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1	ZINC000900464564	592026124	/nfs/dbraw/zinc/02/61/24/592026124.db2.gz	PQWPWCNONWYVRQ-HDICACEKSA-N	2	0	336.524	1.511	20	30		EDEDRP
C=CCCn1cc(CN2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)nn1	ZINC000903506076	592181991	/nfs/dbraw/zinc/18/19/91/592181991.db2.gz	NTWHLFAEVDHJHM-HDICACEKSA-N	2	0	330.480	1.255	20	30		EDEDRP
C[NH+]1CCN(c2ccc(C[NH2+]C[C@@H](O)CC(C)(C)C#N)cc2)CC1	ZINC000905428483	592532239	/nfs/dbraw/zinc/53/22/39/592532239.db2.gz	UQRAHLUJHREZFW-SFHVURJKSA-N	2	0	330.476	1.829	20	30		EDEDRP
C=CCS(=O)(=O)CC[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21	ZINC000817921881	593648952	/nfs/dbraw/zinc/64/89/52/593648952.db2.gz	JZQFHSVIHRPRJX-RDJZCZTQSA-N	2	0	336.457	1.433	20	30		EDEDRP
C[NH+](C)CCCN(CCC#N)C(=O)Nc1cccc(OCC[NH3+])c1	ZINC000841289032	594881985	/nfs/dbraw/zinc/88/19/85/594881985.db2.gz	XURYQJPRTTXKLY-UHFFFAOYSA-N	2	0	333.436	1.723	20	30		EDEDRP
C#CC[NH+](C)CCCNC(=O)N[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1	ZINC000836488089	594968680	/nfs/dbraw/zinc/96/86/80/594968680.db2.gz	GIDXWYOHQPZECI-HKUYNNGSSA-N	2	0	342.487	1.904	20	30		EDEDRP
C[C@H]([NH2+]C1CC1)C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000846700821	595303956	/nfs/dbraw/zinc/30/39/56/595303956.db2.gz	ILMKLQXPKSFEAB-AWEZNQCLSA-N	2	0	326.444	1.779	20	30		EDEDRP
O=C(C#CC1CC[NH2+]CC1)NC[C@H]1CC[N@H+](CCc2ccccc2)C1	ZINC000852863983	595584747	/nfs/dbraw/zinc/58/47/47/595584747.db2.gz	VKFLDYHBCYLDCJ-HXUWFJFHSA-N	2	0	339.483	1.670	20	30		EDEDRP
C#CCCOc1ccc(C[NH2+]CCC[N@H+]2CCC[C@H](C(N)=O)C2)cc1	ZINC000113336904	595712406	/nfs/dbraw/zinc/71/24/06/595712406.db2.gz	MWXZCPZFXGDMPT-SFHVURJKSA-N	2	0	343.471	1.766	20	30		EDEDRP
C#CCOc1ccc(C[NH2+]CCC[N@H+]2CCC[C@H](C(N)=O)C2)cc1	ZINC000113336878	595712693	/nfs/dbraw/zinc/71/26/93/595712693.db2.gz	ZEXUFCMPLSRUQD-KRWDZBQOSA-N	2	0	329.444	1.376	20	30		EDEDRP
N#Cc1cc(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)co1	ZINC000865069267	596463162	/nfs/dbraw/zinc/46/31/62/596463162.db2.gz	FCFIEIOZLYVMOQ-UHFFFAOYSA-N	2	0	339.399	1.488	20	30		EDEDRP
C[NH+](C)CCn1ccc(NC(=O)[C@H]2NCCc3cc(C#N)ccc32)n1	ZINC000867957834	596634664	/nfs/dbraw/zinc/63/46/64/596634664.db2.gz	AAQPCFRIXDHBFU-KRWDZBQOSA-N	2	0	338.415	1.142	20	30		EDEDRP
C[NH+](C)C[C@@H]1CN(c2nc(C#N)c(Cl)s2)C[C@H]1C[NH+](C)C	ZINC000866011362	596757477	/nfs/dbraw/zinc/75/74/77/596757477.db2.gz	ZRKUCCOIJZOERA-GHMZBOCLSA-N	2	0	327.885	1.844	20	30		EDEDRP
CCC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N	ZINC000876801735	597345098	/nfs/dbraw/zinc/34/50/98/597345098.db2.gz	IDBCJDSAENLDOG-FCGDIQPGSA-N	2	0	340.471	1.762	20	30		EDEDRP
C[NH+](C)CCN(Cc1ccccc1)C(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N	ZINC000884305908	598060087	/nfs/dbraw/zinc/06/00/87/598060087.db2.gz	MMMHBHQAARICIM-QPIRBTGLSA-N	2	0	340.471	1.716	20	30		EDEDRP
N#C[C@H]1C[NH2+]CC12CC(C(=O)Nc1ccc([C@@H]3C[NH2+]CCO3)cc1)C2	ZINC000884408553	598096187	/nfs/dbraw/zinc/09/61/87/598096187.db2.gz	LHTSSWIDGGFACT-QZDWLRDRSA-N	2	0	340.427	1.425	20	30		EDEDRP
C#CCN(C(=O)NCC[N@@H+](C)Cc1ccccc1)C1CC[NH+](C)CC1	ZINC000914333023	695365345	/nfs/dbraw/zinc/36/53/45/695365345.db2.gz	OHOHYRKOGCMYOX-UHFFFAOYSA-N	2	0	342.487	1.857	20	30		EDEDRP
C#CCN(C(=O)N[C@@H](C)C[N@@H+]1CCC[C@@H](C)C1)C1CC[NH+](C)CC1	ZINC000914342041	695366722	/nfs/dbraw/zinc/36/67/22/695366722.db2.gz	VEYJJKXVTAPDIF-SJORKVTESA-N	2	0	334.508	1.846	20	30		EDEDRP
C#CCN(C(=O)NC[C@@H]1CC[N@@H+](CC(C)C)C1)C1CC[NH+](C)CC1	ZINC000921426820	697603661	/nfs/dbraw/zinc/60/36/61/697603661.db2.gz	MWTJZRWTJOPIIU-KRWDZBQOSA-N	2	0	334.508	1.703	20	30		EDEDRP
C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1[NH2+]Cc1ccccc1C#N	ZINC000939064030	699131251	/nfs/dbraw/zinc/13/12/51/699131251.db2.gz	PSUXPUOEXCCDGU-DNVCBOLYSA-N	2	0	340.471	1.837	20	30		EDEDRP
C[C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1[NH2+]Cc1cc(C#N)ccc1F	ZINC000939753486	699903003	/nfs/dbraw/zinc/90/30/03/699903003.db2.gz	GCEPEOIGVTURBT-KBXCAEBGSA-N	2	0	344.434	1.730	20	30		EDEDRP
C[C@H]1C[N@H+](C)C[C@H]1C(=O)N1CCC([NH2+]Cc2ccccc2C#N)CC1	ZINC000997004192	703261207	/nfs/dbraw/zinc/26/12/07/703261207.db2.gz	BXIFALVDUUPYMP-HNAYVOBHSA-N	2	0	340.471	1.837	20	30		EDEDRP
C[N@@H+]1CC[C@H](C(=O)N2CCC([NH2+]Cc3ccc(C#N)cc3)CC2)C1	ZINC000997297281	703555762	/nfs/dbraw/zinc/55/57/62/703555762.db2.gz	DZUDFAYIHLQWJC-KRWDZBQOSA-N	2	0	326.444	1.591	20	30		EDEDRP
C=CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC[NH+]1C1CCOCC1	ZINC001032443927	703620833	/nfs/dbraw/zinc/62/08/33/703620833.db2.gz	FVRPFNFLOFPLNL-BZSNNMDCSA-N	2	0	333.476	1.491	20	30		EDEDRP
C=CC[N@@H+]1C[C@@H]2CCN(C(=O)c3ccn(CC[NH+](C)C)n3)CC[C@@H]2C1	ZINC000946598117	704298851	/nfs/dbraw/zinc/29/88/51/704298851.db2.gz	YEXPBTBBRYKQLM-CALCHBBNSA-N	2	0	345.491	1.415	20	30		EDEDRP
CC#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+]4CCC[C@H]4CO3)CC[C@@H]2C1	ZINC000946597965	704309216	/nfs/dbraw/zinc/30/92/16/704309216.db2.gz	SCUQFUNPLFROKZ-ZSYWTGECSA-N	2	0	345.487	1.043	20	30		EDEDRP
C#CC[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)CC[C@H]1C(F)(F)F	ZINC000998264903	705631210	/nfs/dbraw/zinc/63/12/10/705631210.db2.gz	COUMYOCCDBJICI-ZIAGYGMSSA-N	2	0	331.382	1.473	20	30		EDEDRP
C=C(C)C[N@H+]1CC[C@H](N(C)C(=O)c2ccn(-c3cc[nH+]cc3)n2)C1	ZINC001033255360	707244084	/nfs/dbraw/zinc/24/40/84/707244084.db2.gz	KGJGMRHZUUKWPM-INIZCTEOSA-N	2	0	325.416	1.990	20	30		EDEDRP
CC#CC[NH+]1CCC(N(C)C(=O)c2ccn(CC[NH+](C)C)n2)CC1	ZINC001005409740	708922109	/nfs/dbraw/zinc/92/21/09/708922109.db2.gz	LJOQWIGLECYMHR-UHFFFAOYSA-N	2	0	331.464	1.004	20	30		EDEDRP
C=C(C)CC[N@H+]1CC[C@H](N(CC)C(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1	ZINC001033907165	709038720	/nfs/dbraw/zinc/03/87/20/709038720.db2.gz	QSYUMQWBFUXFJL-AGYKMIKPSA-N	2	0	347.503	1.739	20	30		EDEDRP
C[N@@H+]1CC[C@H](CC(=O)NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1	ZINC001003977056	711148270	/nfs/dbraw/zinc/14/82/70/711148270.db2.gz	VDAWLZJZHQMSFD-GOSISDBHSA-N	2	0	340.471	1.981	20	30		EDEDRP
C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCC(C[NH+]2CCOCC2)CC1	ZINC000051959440	214110519	/nfs/dbraw/zinc/11/05/19/214110519.db2.gz	OSMOQKSXURFRIM-QGZVFWFLSA-N	2	0	335.492	1.620	20	30		EDEDRP
C[NH+](C)CCN(CC[NH+](C)C)C(=O)Nc1cnc(C#N)c(Cl)c1	ZINC000562624628	306303202	/nfs/dbraw/zinc/30/32/02/306303202.db2.gz	OFQKLNLAKKDWJL-UHFFFAOYSA-N	2	0	338.843	1.564	20	30		EDEDRP
COC[C@H](C)NC(=[NH2+])NCc1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1	ZINC000104162857	237056634	/nfs/dbraw/zinc/05/66/34/237056634.db2.gz	NSMJOJMNZGGUAF-JYJNAYRXSA-N	2	0	348.491	1.735	20	30		EDEDRP
C[NH+](C)CCNC(=O)C1CC[NH+](CCOc2ccc(C#N)cc2)CC1	ZINC000195519149	139019106	/nfs/dbraw/zinc/01/91/06/139019106.db2.gz	RNWMCQYDXZXKSH-UHFFFAOYSA-N	2	0	344.459	1.327	20	30		EDEDRP
CCc1nccn1[C@H]1CCCN(CC(=O)N[C@](C)(C#N)C2CC2)C1	ZINC000247233241	249315532	/nfs/dbraw/zinc/31/55/32/249315532.db2.gz	RMKCICGUFORJCW-MAUKXSAKSA-N	2	0	329.448	1.891	20	30		EDEDRP
CCC(CC)[C@@H](CNC(=[NH2+])N1CCN(c2ncccn2)CC1)[NH+](C)C	ZINC000264096312	249333906	/nfs/dbraw/zinc/33/39/06/249333906.db2.gz	LZMOUIWZJRRUSN-MRXNPFEDSA-N	2	0	347.511	1.280	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)N2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)CC1	ZINC000378225343	250298174	/nfs/dbraw/zinc/29/81/74/250298174.db2.gz	SYLXZNKQXLQNDJ-OKZBNKHCSA-N	2	0	333.476	1.042	20	30		EDEDRP
C[NH+](C)C/C=C\C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1	ZINC000492391326	255175777	/nfs/dbraw/zinc/17/57/77/255175777.db2.gz	AJWQZYSUSOHHAA-TWGQIWQCSA-N	2	0	326.444	1.779	20	30		EDEDRP
CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cc(C#N)cn1C	ZINC000081729036	287315086	/nfs/dbraw/zinc/31/50/86/287315086.db2.gz	ANTDXUFLZBOFLM-INIZCTEOSA-N	2	0	331.464	1.385	20	30		EDEDRP
CCOC(=O)N1CCC(NC(=[NH2+])NC[C@@H](CC)[NH+]2CCCC2)CC1	ZINC000104166878	441190665	/nfs/dbraw/zinc/19/06/65/441190665.db2.gz	NLNCSSYDWAMMPS-OAHLLOKOSA-N	2	0	339.484	1.386	20	30		EDEDRP
CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCC[C@@H]1c2ccccc2NC1=O	ZINC000170907436	442286697	/nfs/dbraw/zinc/28/66/97/442286697.db2.gz	KRWNALLYQCDZOK-UKRRQHHQSA-N	2	0	329.448	1.501	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)NCc2ccc(C[NH+](C)C)c(F)c2)CC1	ZINC000154623993	442349140	/nfs/dbraw/zinc/34/91/40/442349140.db2.gz	WGWNGLZFRYQVPL-UHFFFAOYSA-N	2	0	331.435	1.849	20	30		EDEDRP
C[NH+](C)C(C)(C)CNC1=[NH+]C[C@@H]2CN(C(=O)OC(C)(C)C)CCN12	ZINC000133861392	442436829	/nfs/dbraw/zinc/43/68/29/442436829.db2.gz	OHKHAVQPWGLHOB-CYBMUJFWSA-N	2	0	339.484	1.207	20	30		EDEDRP
C=CC[NH+]1CCC(NC(=O)N2CC[N@@H+](CC(C)(C)O)C[C@H]2C)CC1	ZINC000188570947	442764641	/nfs/dbraw/zinc/76/46/41/442764641.db2.gz	XMRQWNOZJVDNEA-OAHLLOKOSA-N	2	0	338.496	1.123	20	30		EDEDRP
C/[NH+]=C(/NCc1cn2ccsc2n1)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C	ZINC000262002207	443179034	/nfs/dbraw/zinc/17/90/34/443179034.db2.gz	UTAOQRIVNRHYLJ-JSGCOSHPSA-N	2	0	334.493	1.790	20	30		EDEDRP
COC[C@H](C)NC(=[NH2+])NCCCC[NH+]1CCN(c2ccccc2)CC1	ZINC000264116582	443249804	/nfs/dbraw/zinc/24/98/04/443249804.db2.gz	SYBHYFHSZDKKRA-KRWDZBQOSA-N	2	0	347.507	1.528	20	30		EDEDRP
COC[C@@H](C)NC(=[NH2+])NCc1ccccc1C[NH+]1CCC(O)CC1	ZINC000267431710	443455070	/nfs/dbraw/zinc/45/50/70/443455070.db2.gz	MTLCNSVFTNRYEC-CQSZACIVSA-N	2	0	334.464	1.083	20	30		EDEDRP
C=CC[C@H](C)NC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1	ZINC000265276290	443591922	/nfs/dbraw/zinc/59/19/22/443591922.db2.gz	HECHHNDIQAUHRK-INIZCTEOSA-N	2	0	331.464	1.858	20	30		EDEDRP
CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccnc(OC(F)F)c1	ZINC000284182840	443769190	/nfs/dbraw/zinc/76/91/90/443769190.db2.gz	XSZULPZOTNALGC-GFCCVEGCSA-N	2	0	327.379	1.572	20	30		EDEDRP
OCC[C@@H](NCC#CCN[C@@H](CCO)c1ccco1)c1ccco1	ZINC000284217289	443769770	/nfs/dbraw/zinc/76/97/70/443769770.db2.gz	UBSPYZWBRGXNIZ-IYBDPMFKSA-N	2	0	332.400	1.602	20	30		EDEDRP
C#CC[N@H+](C)CCCNC(=O)NCc1ccc(N2CCCC2)nc1	ZINC000296135523	444207258	/nfs/dbraw/zinc/20/72/58/444207258.db2.gz	DATOWURELBZUNX-UHFFFAOYSA-N	2	0	329.448	1.436	20	30		EDEDRP
CCN(CCC#N)C(=O)CN1CC[C@@H](Oc2cccnc2N(C)C)C1	ZINC000295670320	444191190	/nfs/dbraw/zinc/19/11/90/444191190.db2.gz	BHNOMTOIUBNUPF-OAHLLOKOSA-N	2	0	345.447	1.363	20	30		EDEDRP
CC(C)[N@H+](C)CCNC(=[NH2+])N1CCN(C(=O)OC(C)(C)C)CC1	ZINC000303988131	444239457	/nfs/dbraw/zinc/23/94/57/444239457.db2.gz	WGRVAGMDYMQPEL-UHFFFAOYSA-N	2	0	327.473	1.194	20	30		EDEDRP
CC(C)[NH+]1CCC(O)(CNC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)CC1	ZINC000329930360	444773825	/nfs/dbraw/zinc/77/38/25/444773825.db2.gz	OIQRMZZUYGALIZ-HZPDHXFCSA-N	2	0	338.496	1.352	20	30		EDEDRP
N#CCNC(=O)C[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2	ZINC000362397891	445359465	/nfs/dbraw/zinc/35/94/65/445359465.db2.gz	TWPKYBYZSCNGGG-UHFFFAOYSA-N	2	0	326.444	1.614	20	30		EDEDRP
Cn1cc(C[NH2+]CC2CC[NH+](CC(=O)NC(C)(C)C)CC2)cc1C#N	ZINC000359763996	445415237	/nfs/dbraw/zinc/41/52/37/445415237.db2.gz	HUNWEVMXYZJMIV-UHFFFAOYSA-N	2	0	345.491	1.613	20	30		EDEDRP
CC[NH+](CC)CCO[C@@H]1CCN([C@@H](C(N)=O)c2ccc(C#N)cc2)C1	ZINC000350242857	445798587	/nfs/dbraw/zinc/79/85/87/445798587.db2.gz	AYVRUMSXBAJVIR-QZTJIDSGSA-N	2	0	344.459	1.517	20	30		EDEDRP
C[NH+](C)CC1CC[NH+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1	ZINC000370285450	446213991	/nfs/dbraw/zinc/21/39/91/446213991.db2.gz	MWNKCCBPBAVECD-GOSISDBHSA-N	2	0	326.444	1.937	20	30		EDEDRP
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NCC[C@H]1CCC[NH2+]1	ZINC000418550614	446590647	/nfs/dbraw/zinc/59/06/47/446590647.db2.gz	OCARHHQLUFXKKZ-GOSISDBHSA-N	2	0	343.475	1.774	20	30		EDEDRP
C[C@H]1C[C@H](NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)CC[NH2+]1	ZINC000418596246	446608086	/nfs/dbraw/zinc/60/80/86/446608086.db2.gz	HCWXVNZRHUTMKH-MAUKXSAKSA-N	2	0	343.475	1.772	20	30		EDEDRP
C#CCNC(=O)CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C)s2)C1	ZINC000491475132	448037054	/nfs/dbraw/zinc/03/70/54/448037054.db2.gz	TYBDHUYMUYMEPN-INIZCTEOSA-N	2	0	333.501	1.950	20	30		EDEDRP
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCC[NH2+]CC1	ZINC000591360297	448344255	/nfs/dbraw/zinc/34/42/55/448344255.db2.gz	IQTGHICQXDLGKP-GOSISDBHSA-N	2	0	343.475	1.774	20	30		EDEDRP
CN(CCC#N)C[C@@H](O)C[NH2+]Cc1ccccc1C[NH+]1CCCC1	ZINC000583688592	448460128	/nfs/dbraw/zinc/46/01/28/448460128.db2.gz	QUDPRXMAWBHPEA-IBGZPJMESA-N	2	0	330.476	1.578	20	30		EDEDRP
CN(CCC#N)C[C@@H](O)CNc1ccc(CC[NH+]2CCOCC2)cc1	ZINC000574312263	448841964	/nfs/dbraw/zinc/84/19/64/448841964.db2.gz	MDJUWGKUDVAMCK-IBGZPJMESA-N	2	0	346.475	1.180	20	30		EDEDRP
C[C@H]([NH3+])[C@H](C)NC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000593715623	449157695	/nfs/dbraw/zinc/15/76/95/449157695.db2.gz	MSCOCCKBZDEKLO-KBPBESRZSA-N	2	0	329.448	1.558	20	30		EDEDRP
C[NH2+][C@H]1CCN(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)C1	ZINC000593718962	449159407	/nfs/dbraw/zinc/15/94/07/449159407.db2.gz	CBEGHLPCGOMTIC-SFHVURJKSA-N	2	0	341.459	1.526	20	30		EDEDRP
N#Cc1ccc(C[N@@H+]2CCC[C@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)o1	ZINC000600770418	449540763	/nfs/dbraw/zinc/54/07/63/449540763.db2.gz	YYCBEXKUZNRUDC-AWEZNQCLSA-N	2	0	340.431	1.664	20	30		EDEDRP
N#Cc1cccnc1OC1CCC([NH2+]C[C@H](O)C[NH+]2CCCC2)CC1	ZINC000600732758	449523661	/nfs/dbraw/zinc/52/36/61/449523661.db2.gz	FJYFVSUUQLXBKS-ADKAHSJRSA-N	2	0	344.459	1.690	20	30		EDEDRP
C[NH+](C)CCCN(CCC#N)C(=O)Nc1cc(C[NH+](C)C)ccn1	ZINC000603143672	450089888	/nfs/dbraw/zinc/08/98/88/450089888.db2.gz	IHXMYXWJSJFOFC-UHFFFAOYSA-N	2	0	332.452	1.842	20	30		EDEDRP
C=CC[NH+](CC=C)[C@H](CNC(=O)c1cn([C@H]2CC[NH2+]C2)nn1)C(C)C	ZINC000649297130	451972649	/nfs/dbraw/zinc/97/26/49/451972649.db2.gz	KYYTWRZYYXSEEK-DOTOQJQBSA-N	2	0	346.479	1.241	20	30		EDEDRP
C=CC[NH+](CC=C)[C@H](CNC(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1)C(C)C	ZINC000663667937	452406452	/nfs/dbraw/zinc/40/64/52/452406452.db2.gz	JGTHVGVBUPJZDK-IKGGRYGDSA-N	2	0	338.496	1.001	20	30		EDEDRP
C=CC[C@]1(C(=O)N2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)CCC[NH2+]1	ZINC000662701321	453422454	/nfs/dbraw/zinc/42/24/54/453422454.db2.gz	OLXTVFGKMCRBRX-QWFCFKBJSA-N	2	0	348.535	1.702	20	30		EDEDRP
C[NH+]=C(NCC1(SC)CCOCC1)N1CC[C@H]([NH+]2CC=CC2)C1	ZINC000130728120	526351769	/nfs/dbraw/zinc/35/17/69/526351769.db2.gz	GUHNEALDCRWFFQ-HNNXBMFYSA-N	2	0	338.521	1.420	20	30		EDEDRP
CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc2c(c1)OCCCO2	ZINC000104181648	529072966	/nfs/dbraw/zinc/07/29/66/529072966.db2.gz	BYROJYKUKXUSPB-OAHLLOKOSA-N	2	0	332.448	1.737	20	30		EDEDRP
C#CCSCCNC(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@H+]1CC	ZINC000745834949	579564873	/nfs/dbraw/zinc/56/48/73/579564873.db2.gz	PRMVHEPJVJGPIP-INIZCTEOSA-N	2	0	340.537	1.410	20	30		EDEDRP
C#CC[N@H+](C)CCCNCc1ccc(NC(=O)OC(C)(C)C)nn1	ZINC000894639122	591375106	/nfs/dbraw/zinc/37/51/06/591375106.db2.gz	KEWWHISBWXDQHY-UHFFFAOYSA-N	2	0	333.436	1.868	20	30		EDEDRP
N#Cc1ccc(C[N@H+]2CCCN(C[C@@H](O)C[NH+]3CCCC3)CC2)cc1	ZINC000909031141	592707911	/nfs/dbraw/zinc/70/79/11/592707911.db2.gz	DDMSVZMOSRLUPD-FQEVSTJZSA-N	2	0	342.487	1.523	20	30		EDEDRP
C#CCN1CCC[C@H]1C(=O)NC[C@@H](C)[N@@H+]1CCc2ccccc2C1	ZINC000730276853	593108473	/nfs/dbraw/zinc/10/84/73/593108473.db2.gz	DEZHHEQUIGWVJT-APWZRJJASA-N	2	0	325.456	1.647	20	30		EDEDRP
C[NH+]1CCC(N2CC[C@H]([NH2+]C[C@@H](O)c3ccc(C#N)cc3)C2)CC1	ZINC000819052813	593735899	/nfs/dbraw/zinc/73/58/99/593735899.db2.gz	FAWCMNYSRIQGLL-PKOBYXMFSA-N	2	0	328.460	1.350	20	30		EDEDRP
CNC(NCCc1ccc(OCC[N@@H+]2C[C@H](C)[C@H](C)C2)cc1)=[NH+]C	ZINC000849076911	595478684	/nfs/dbraw/zinc/47/86/84/595478684.db2.gz	YEBYVFCZZMWDLN-IYBDPMFKSA-N	2	0	332.492	1.991	20	30		EDEDRP
CCc1ccc([C@@H]2C[NH2+]CCN2C(=O)C#CC2CC[NH2+]CC2)cc1	ZINC000852879717	595594829	/nfs/dbraw/zinc/59/48/29/595594829.db2.gz	YUWOAFVRYWHBPX-IBGZPJMESA-N	2	0	325.456	1.725	20	30		EDEDRP
O=C(C#CC1CC[NH2+]CC1)NC[C@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1	ZINC000852880869	595595987	/nfs/dbraw/zinc/59/59/87/595595987.db2.gz	FBFKJLUDVZHUIM-MJGOQNOKSA-N	2	0	343.446	1.638	20	30		EDEDRP
C[N@H+](CCNC(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21)Cc1ccccc1	ZINC000867962008	596636343	/nfs/dbraw/zinc/63/63/43/596636343.db2.gz	JNOQMMBDOFZYMK-HXUWFJFHSA-N	2	0	348.450	1.993	20	30		EDEDRP
C=CCN(Cc1cc2c(s1)CC[NH2+]C2)[C@@H]1CCS(=O)(=O)C1	ZINC000873204098	597226207	/nfs/dbraw/zinc/22/62/07/597226207.db2.gz	YNRCJOQHKQKMLB-CYBMUJFWSA-N	2	0	326.487	1.569	20	30		EDEDRP
C=CCN(Cc1cc2c(s1)CC[NH2+]C2)[C@H]1CCS(=O)(=O)C1	ZINC000873204099	597226297	/nfs/dbraw/zinc/22/62/97/597226297.db2.gz	YNRCJOQHKQKMLB-ZDUSSCGKSA-N	2	0	326.487	1.569	20	30		EDEDRP
CC(C)(O)[C@@H]1CCC[NH+](CC#CC[N@H+]2CCC[C@@H](C(C)(C)O)C2)C1	ZINC000879963239	597786432	/nfs/dbraw/zinc/78/64/32/597786432.db2.gz	HTIULDBESDWLPB-QZTJIDSGSA-N	2	0	336.520	1.956	20	30		EDEDRP
COCC[N@@H+](CC(=O)N[C@@](C)(C#N)C(C)C)CC1CC[NH+](C)CC1	ZINC000879122074	597825740	/nfs/dbraw/zinc/82/57/40/597825740.db2.gz	IWGUMJKFAOWVMQ-SFHVURJKSA-N	2	0	338.496	1.331	20	30		EDEDRP
C[NH+](C)Cc1cc(CNC(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)ccc1F	ZINC000884220123	598032982	/nfs/dbraw/zinc/03/29/82/598032982.db2.gz	HCFPPZKKPKAFGP-WUJZJPHMSA-N	2	0	344.434	1.643	20	30		EDEDRP
N#C[C@H]1C[NH2+]CC12CC(C(=O)N1C[C@@H](c3ccccc3F)[C@H]([NH3+])C1)C2	ZINC000884344451	598075974	/nfs/dbraw/zinc/07/59/74/598075974.db2.gz	GSJVLUYZDVBJRB-OLHCFBCISA-N	2	0	342.418	1.218	20	30		EDEDRP
C#CCN(C(=O)NC[C@H](C)[N@@H+]1CCC[C@@H](C)C1)C1CC[NH+](C)CC1	ZINC000914074735	695069636	/nfs/dbraw/zinc/06/96/36/695069636.db2.gz	LJLFODAYDCXOPX-SJORKVTESA-N	2	0	334.508	1.846	20	30		EDEDRP
C#CC[NH+]1CCC(NC(=O)NC[C@H](c2ccc(F)cc2)[NH+](C)C)CC1	ZINC000914270678	695321856	/nfs/dbraw/zinc/32/18/56/695321856.db2.gz	BKKXKNCDVVCFDT-GOSISDBHSA-N	2	0	346.450	1.825	20	30		EDEDRP
C#CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C3CC[NH+](C(C)C)CC3)C[C@H]21	ZINC000992846679	695405493	/nfs/dbraw/zinc/40/54/93/695405493.db2.gz	DXKCZPWQRWDGJP-IPMKNSEASA-N	2	0	331.504	1.957	20	30		EDEDRP
CC[C@@H]1[C@@H](C(=O)NCC2CN(Cc3ccccc3C#N)C2)CC[N@@H+]1C	ZINC001031684689	697512205	/nfs/dbraw/zinc/51/22/05/697512205.db2.gz	YRTNDSSMFRKDNK-RBUKOAKNSA-N	2	0	340.471	1.837	20	30		EDEDRP
C=C(Cl)C[NH2+][C@H]1CN(C(=O)c2cnn(CC[NH+](C)C)c2)C[C@@H]1C	ZINC000939291796	699479201	/nfs/dbraw/zinc/47/92/01/699479201.db2.gz	IHCWOAFERAYYTL-WFASDCNBSA-N	2	0	339.871	1.247	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)N2C[C@H]([NH2+]Cc3cnoc3C)[C@@H](C)C2)CC1	ZINC000939810039	699958275	/nfs/dbraw/zinc/95/82/75/699958275.db2.gz	KRPGQJDJIGZYMN-KSSFIOAISA-N	2	0	344.459	1.265	20	30		EDEDRP
C#CCC[N@H+]1CC[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C(C)(C)C1	ZINC000941091714	701135205	/nfs/dbraw/zinc/13/52/05/701135205.db2.gz	YBWVTQKWPWYVOW-QGZVFWFLSA-N	2	0	345.491	1.298	20	30		EDEDRP
C=CC[NH2+][C@@H]1CN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)CC1(C)C	ZINC000996043355	702459377	/nfs/dbraw/zinc/45/93/77/702459377.db2.gz	UBMGMXNTFOEUHG-MRXNPFEDSA-N	2	0	325.416	1.894	20	30		EDEDRP
C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H]([NH2+]Cc3ccc(C#N)s3)C(C)(C)C2)C1	ZINC000996607559	702910756	/nfs/dbraw/zinc/91/07/56/702910756.db2.gz	CRNCPJHWUBAXJA-CZUORRHYSA-N	2	0	346.500	1.898	20	30		EDEDRP
C[C@@H]1[C@H](C(=O)N2CCC([NH2+]Cc3cccc(C#N)c3)CC2)CC[N@@H+]1C	ZINC000996603703	702913150	/nfs/dbraw/zinc/91/31/50/702913150.db2.gz	SMXFBQVXJOQWBU-DNVCBOLYSA-N	2	0	340.471	1.979	20	30		EDEDRP
CC#CC[N@@H+]1CC[C@@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)[C@@H](C)C1	ZINC000942445946	702941906	/nfs/dbraw/zinc/94/19/06/702941906.db2.gz	YRHZFWQWIJRMGW-DOTOQJQBSA-N	2	0	337.427	1.731	20	30		EDEDRP
C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1CCC([NH2+]Cc2cccc(C#N)c2)CC1	ZINC000997007911	703265272	/nfs/dbraw/zinc/26/52/72/703265272.db2.gz	KIGZKLYWWMOSMH-DNVCBOLYSA-N	2	0	340.471	1.837	20	30		EDEDRP
C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)CC[C@@H]2C1	ZINC000946591564	704194910	/nfs/dbraw/zinc/19/49/10/704194910.db2.gz	ZDBQFPSIUUMSIP-CEXWTWQISA-N	2	0	329.488	1.522	20	30		EDEDRP
C[C@@H]1C[N@H+](CC#Cc2ccccc2)CC[C@H]1NC(=O)C[NH+]1CCCC1	ZINC000944946486	704799530	/nfs/dbraw/zinc/79/95/30/704799530.db2.gz	WRRMWPAQKURCDQ-UYAOXDASSA-N	2	0	339.483	1.961	20	30		EDEDRP
C#CC[NH2+][C@H]1CN(C(=O)C2CC[NH+](C)CC2)CC[C@H]1C(F)(F)F	ZINC000998286355	705682612	/nfs/dbraw/zinc/68/26/12/705682612.db2.gz	KNZKCCPTMMVCKY-KGLIPLIRSA-N	2	0	331.382	1.330	20	30		EDEDRP
C[NH+](C)[C@H](C(=O)N1CCC[C@H]([NH2+]Cc2cccc(C#N)c2)C1)C1CC1	ZINC000999366988	706880930	/nfs/dbraw/zinc/88/09/30/706880930.db2.gz	DDTMTYWJKZRWMC-OALUTQOASA-N	2	0	340.471	1.979	20	30		EDEDRP
C=C(C)CC[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1	ZINC001033277694	707343613	/nfs/dbraw/zinc/34/36/13/707343613.db2.gz	GKSZDZQWRABHGV-VZDIDWBNSA-N	2	0	333.476	1.349	20	30		EDEDRP
C=C(C)CC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1	ZINC001033277685	707343750	/nfs/dbraw/zinc/34/37/50/707343750.db2.gz	GKSZDZQWRABHGV-DHADLLTHSA-N	2	0	333.476	1.349	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)N(C)C2CC([NH2+]Cc3conc3C)C2)CC1	ZINC000999871095	707514092	/nfs/dbraw/zinc/51/40/92/707514092.db2.gz	ULHOSQKOFOKVQB-UHFFFAOYSA-N	2	0	344.459	1.407	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)N(C)C2CC([NH2+]C[C@H]3CCCCO3)C2)CC1	ZINC000999875910	707522488	/nfs/dbraw/zinc/52/24/88/707522488.db2.gz	DGWGNIGZRHOCGI-CTWPCTMYSA-N	2	0	347.503	1.480	20	30		EDEDRP
C=C(C)C[N@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1	ZINC001033905081	709033591	/nfs/dbraw/zinc/03/35/91/709033591.db2.gz	JOFLCQYPXIFAQV-ISXWCOSWSA-N	2	0	333.476	1.349	20	30		EDEDRP
C=C(C)CC[NH+]1CCC(NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)CC1	ZINC001003330754	710265347	/nfs/dbraw/zinc/26/53/47/710265347.db2.gz	CLTGNIHXTJPKJU-URSIVYNOSA-N	2	0	333.476	1.396	20	30		EDEDRP
C[C@@H]1CCC[C@](CNC(=O)NC[C@H]2C[N@H+](C)CCN2C)([NH+](C)C)C1	ZINC000329444519	539437574	/nfs/dbraw/zinc/43/75/74/539437574.db2.gz	LPGSWXAXPYZKMP-RYRKJORJSA-N	2	0	339.528	1.246	20	30		EDEDRP
C[C@@H](C[NH2+]Cc1cnc2ccc(C#N)cn12)CN1CC[NH+](C)CC1	ZINC000123627643	138320162	/nfs/dbraw/zinc/32/01/62/138320162.db2.gz	FMXNWGUJVMHOCX-HNNXBMFYSA-N	2	0	326.448	1.179	20	30		EDEDRP
C[C@H](CNC(=[NH2+])Nc1cccc2c1CCCC2)N1CC[NH+](C)CC1	ZINC000267300302	249359113	/nfs/dbraw/zinc/35/91/13/249359113.db2.gz	LBRWHLJIZXMYPD-OAHLLOKOSA-N	2	0	329.492	1.928	20	30		EDEDRP
CCNC(NCc1ccccc1CN1CC[NH+](CC)CC1)=[NH+]CC	ZINC000066243418	441515790	/nfs/dbraw/zinc/51/57/90/441515790.db2.gz	DWTZWPQPDOMTGL-UHFFFAOYSA-N	2	0	331.508	1.899	20	30		EDEDRP
C=CC[NH+]1CCC(NC(=O)c2ccnc(N3CC[NH+](C)CC3)c2)CC1	ZINC000171804657	442382322	/nfs/dbraw/zinc/38/23/22/442382322.db2.gz	ACDBOZWPIWQAAD-UHFFFAOYSA-N	2	0	343.475	1.214	20	30		EDEDRP
C=C(C)C[NH+]1CCC(NC(=O)[C@@H]([NH2+]C2CCOCC2)C(C)C)CC1	ZINC000173161053	442613837	/nfs/dbraw/zinc/61/38/37/442613837.db2.gz	GBPAPVDHJSUFQN-SFHVURJKSA-N	2	0	337.508	1.936	20	30		EDEDRP
C=CC[NH+]1CCC(NC(=O)N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)CC1	ZINC000188569812	442764384	/nfs/dbraw/zinc/76/43/84/442764384.db2.gz	HQKHYRYYTAVDOK-OAHLLOKOSA-N	2	0	338.496	1.123	20	30		EDEDRP
C[NH+]=C(NC[C@@](C)(O)c1ccco1)N1CC[C@H](C[NH+]2CCCC2)C1	ZINC000262828219	443213773	/nfs/dbraw/zinc/21/37/73/443213773.db2.gz	YVQFRHPJALIKKF-CRAIPNDOSA-N	2	0	334.464	1.480	20	30		EDEDRP
CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCCNC(=O)c1occc1C	ZINC000267395157	443442943	/nfs/dbraw/zinc/44/29/43/443442943.db2.gz	DVQMKEJGEZJURB-AWEZNQCLSA-N	2	0	335.452	1.097	20	30		EDEDRP
C#CC[N@H+](C)CCCNC(=O)NC1CC[NH+](Cc2ccccc2)CC1	ZINC000296248115	444215249	/nfs/dbraw/zinc/21/52/49/444215249.db2.gz	RNBIOHWJJSZVTI-UHFFFAOYSA-N	2	0	342.487	1.905	20	30		EDEDRP
C#CC[N@@H+](C)CCCNC(=O)N[C@@H](C)[C@@H](c1ccccc1)[NH+](C)C	ZINC000297531518	444297387	/nfs/dbraw/zinc/29/73/87/444297387.db2.gz	AMTWFRBDGYRSHG-WMZOPIPTSA-N	2	0	330.476	1.932	20	30		EDEDRP
N#Cc1cccc(S(=O)(=O)CCNCc2cnc3n2CCCC3)c1	ZINC000581007479	322123237	/nfs/dbraw/zinc/12/32/37/322123237.db2.gz	KWMVMJZIJLDCBW-UHFFFAOYSA-N	2	0	344.440	1.655	20	30		EDEDRP
Cn1nccc1[C@H]1[C@H](CNC(=O)N2CC[C@@H]([NH+](C)C)C2)CCC[N@@H+]1C	ZINC000329516416	444611505	/nfs/dbraw/zinc/61/15/05/444611505.db2.gz	OWFNXRVCJZHWFD-ZMSDIMECSA-N	2	0	348.495	1.353	20	30		EDEDRP
C[C@@H]1C[C@H](NC(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)CC[N@@H+]1C	ZINC000329770581	444710308	/nfs/dbraw/zinc/71/03/08/444710308.db2.gz	IYLMFKLOKJKZAX-HLLBOEOZSA-N	2	0	338.496	1.474	20	30		EDEDRP
C[C@@H](C(=O)NC1(C#N)CCC1)[NH+]1CCC(OCC[NH+]2CCCC2)CC1	ZINC000346417121	445214296	/nfs/dbraw/zinc/21/42/96/445214296.db2.gz	SXTQJNWULXYOJV-INIZCTEOSA-N	2	0	348.491	1.514	20	30		EDEDRP
C=CCOc1ccc(CN2CCN([C@H]3CC[NH2+]C3)CC2)cc1OC	ZINC000352695090	445549659	/nfs/dbraw/zinc/54/96/59/445549659.db2.gz	SFYPTKILLZEIJQ-KRWDZBQOSA-N	2	0	331.460	1.740	20	30		EDEDRP
CN1CCN(C(=O)CC[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)CC1	ZINC000366982621	446442937	/nfs/dbraw/zinc/44/29/37/446442937.db2.gz	OTMXUOZJVRXQDS-UHFFFAOYSA-N	2	0	338.455	1.811	20	30		EDEDRP
CC(C)[C@@H]([NH3+])CNC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1	ZINC000418395366	446528123	/nfs/dbraw/zinc/52/81/23/446528123.db2.gz	BWUFYCKTJNGFPR-SFHVURJKSA-N	2	0	343.475	1.759	20	30		EDEDRP
C#C[C@@H](CC)NC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1	ZINC000491526426	448055154	/nfs/dbraw/zinc/05/51/54/448055154.db2.gz	ZFDYRIGMVYJRRX-INIZCTEOSA-N	2	0	329.448	1.305	20	30		EDEDRP
C#CC[N@@H+](C)CCCNC(=O)NC[C@H](c1ccc(C)cc1)[NH+](C)C	ZINC000491646829	448069636	/nfs/dbraw/zinc/06/96/36/448069636.db2.gz	VCYMOVPJAQCLMN-GOSISDBHSA-N	2	0	330.476	1.852	20	30		EDEDRP
C[NH+]1CCN(C[C@H](NC(=O)[C@@H]([NH3+])CCCC#N)c2ccccc2)CC1	ZINC000584836283	448648896	/nfs/dbraw/zinc/64/88/96/448648896.db2.gz	JKXZEFTUFQXAOM-ROUUACIJSA-N	2	0	343.475	1.112	20	30		EDEDRP
N#Cc1cccc(C[NH+]2CCC(NC(=O)[C@H]3CCCC[NH2+]3)CC2)c1	ZINC000593918237	449285964	/nfs/dbraw/zinc/28/59/64/449285964.db2.gz	BNBZTEGXMAANHP-GOSISDBHSA-N	2	0	326.444	1.781	20	30		EDEDRP
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)C[C@H]1CC[N@H+](C)C1	ZINC000602069832	449321097	/nfs/dbraw/zinc/32/10/97/449321097.db2.gz	FGLOWLFKOSJWFQ-GOSISDBHSA-N	2	0	328.460	1.790	20	30		EDEDRP
C[NH2+]CCCC(=O)N1CCC([NH2+]Cc2ccc(C#N)c(OC)c2)CC1	ZINC000596108824	449365640	/nfs/dbraw/zinc/36/56/40/449365640.db2.gz	ZFWKCBBXCRSCLH-UHFFFAOYSA-N	2	0	344.459	1.647	20	30		EDEDRP
N#CCc1cccc2c1CC[N@@H+](C[C@@H]1CCCN(C(=O)C[NH3+])C1)C2	ZINC000600776889	449543596	/nfs/dbraw/zinc/54/35/96/449543596.db2.gz	YFNYAIAHQIYVNP-HNNXBMFYSA-N	2	0	326.444	1.308	20	30		EDEDRP
CC[NH+]1CCN(c2ccc(C[NH2+]C[C@H](O)CC3(C#N)CC3)cn2)CC1	ZINC000600717980	449515718	/nfs/dbraw/zinc/51/57/18/449515718.db2.gz	URACQOMBBGGBEQ-QGZVFWFLSA-N	2	0	343.475	1.368	20	30		EDEDRP
C[C@@H]1C[N@H+](CCC[NH2+]C[C@H](O)COc2ccccc2C#N)CCCO1	ZINC000600735418	449524440	/nfs/dbraw/zinc/52/44/40/449524440.db2.gz	SYQHSMNNONNGQV-AEFFLSMTSA-N	2	0	347.459	1.388	20	30		EDEDRP
C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]Cc1cnc2ccc(C#N)cn12	ZINC000594962346	449821365	/nfs/dbraw/zinc/82/13/65/449821365.db2.gz	DBTVRQDYALXIQV-HNNXBMFYSA-N	2	0	328.464	1.568	20	30		EDEDRP
OC[C@]12CCC[C@H]1C[NH+](CC#CC[N@H+]1C[C@@H]3CCC[C@]3(CO)C1)C2	ZINC000626015386	450554158	/nfs/dbraw/zinc/55/41/58/450554158.db2.gz	TZBLKHUPEDTRNX-VNTMZGSJSA-N	2	0	332.488	1.179	20	30		EDEDRP
C[N@@H+]1CCC[C@@H]2C[NH+](C[C@@H](O)COc3ccc(CC#N)cc3)CC[C@@H]21	ZINC000610798133	485890466	/nfs/dbraw/zinc/89/04/66/485890466.db2.gz	UUCHPSBOVYYAOF-GGPKGHCWSA-N	2	0	343.471	1.908	20	30		EDEDRP
CC[NH+]=C(NCc1c(C)nn(C)c1C)N1CC[C@H]([NH+]2CC=CC2)C1	ZINC000125126491	528816116	/nfs/dbraw/zinc/81/61/16/528816116.db2.gz	UHNAJXAWPKJVSY-INIZCTEOSA-N	2	0	330.480	1.449	20	30		EDEDRP
CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CCN(C)c2ccccc21	ZINC000245899409	535549298	/nfs/dbraw/zinc/54/92/98/535549298.db2.gz	JUFQIVAHQZYKAM-HZPDHXFCSA-N	2	0	329.492	1.999	20	30		EDEDRP
CCN(Cc1ccccc1)C(=O)CNC(=[NH2+])NC[C@@H]1CCC[N@@H+]1CC	ZINC000264074422	535787436	/nfs/dbraw/zinc/78/74/36/535787436.db2.gz	FEBDNLDEXSYDLZ-KRWDZBQOSA-N	2	0	345.491	1.424	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)CC1	ZINC000733160656	578746241	/nfs/dbraw/zinc/74/62/41/578746241.db2.gz	RGKXSVHLUSADSN-SFHVURJKSA-N	2	0	333.476	1.091	20	30		EDEDRP
C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NCC(=O)NCCC#N	ZINC000787301606	580692310	/nfs/dbraw/zinc/69/23/10/580692310.db2.gz	IZGUXMNHAIRVOT-MNZLEMJZSA-N	2	0	328.460	1.762	20	30		EDEDRP
C#CC[N@H+](C)CCCNC(=O)NC[C@@H]1C[NH+](C)C[C@H]1c1ccccc1	ZINC000895057102	591550765	/nfs/dbraw/zinc/55/07/65/591550765.db2.gz	RIMPFTHQBKTUTO-MOPGFXCFSA-N	2	0	342.487	1.586	20	30		EDEDRP
CC(C)(Cc1ccc(C#N)cc1)[NH2+]C[C@@H]1CCCN(C(=O)C[NH3+])C1	ZINC000903988061	592406463	/nfs/dbraw/zinc/40/64/63/592406463.db2.gz	NCRQVYPCEXHKDP-KRWDZBQOSA-N	2	0	328.460	1.666	20	30		EDEDRP
C#C[C@@H]([NH2+]CC[C@H](C)CC[NH2+][C@@H](C#C)[C@H]1CCCO1)[C@@H]1CCCO1	ZINC000839564282	593338978	/nfs/dbraw/zinc/33/89/78/593338978.db2.gz	PMGCRLQXFMTGEO-YCKXBTPASA-N	2	0	332.488	1.944	20	30		EDEDRP
C#CC[N@H+](C)CCCNC(=O)NCc1ccc(-n2ccnc2)cc1	ZINC000836256738	594943724	/nfs/dbraw/zinc/94/37/24/594943724.db2.gz	OFRYAWGYBCTCTA-UHFFFAOYSA-N	2	0	325.416	1.627	20	30		EDEDRP
C=C(C[NH+](C)C)C(=O)N1CC[C@H](Oc2ccnc(C[N@@H+](C)CC)c2)C1	ZINC000856626670	596038945	/nfs/dbraw/zinc/03/89/45/596038945.db2.gz	KZFUXVXHMBHUNM-SFHVURJKSA-N	2	0	346.475	1.631	20	30		EDEDRP
N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)N[C@H](CC[NH3+])C(F)(F)F	ZINC000867980319	596643175	/nfs/dbraw/zinc/64/31/75/596643175.db2.gz	QXRGXFPGBDGULW-CHWSQXEVSA-N	2	0	326.322	1.141	20	30		EDEDRP
C[NH+](C)C[C@@H]1CN(C(=O)COc2cccc(C#N)c2)C[C@H]1C[NH+](C)C	ZINC000870022940	596713107	/nfs/dbraw/zinc/71/31/07/596713107.db2.gz	FSVBIDXDUIDLIE-IAGOWNOFSA-N	2	0	344.459	1.135	20	30		EDEDRP
C[NH+](C)C[C@@H]1CN(C(=O)COc2ccccc2C#N)C[C@H]1C[NH+](C)C	ZINC000870024367	596713727	/nfs/dbraw/zinc/71/37/27/596713727.db2.gz	AAMKGFVOKJSMDO-IAGOWNOFSA-N	2	0	344.459	1.135	20	30		EDEDRP
C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@H](C[C@H]([NH3+])C2CCCC2)C1	ZINC000872158186	596816440	/nfs/dbraw/zinc/81/64/40/596816440.db2.gz	ZDBJYXPVXNMJPY-ZBFHGGJFSA-N	2	0	336.480	1.618	20	30		EDEDRP
C[NH+](C)[C@@]1(CNC(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)CCSC1	ZINC000876727016	597308458	/nfs/dbraw/zinc/30/84/58/597308458.db2.gz	UFFSIVLEKITGCT-SJLPKXTDSA-N	2	0	344.484	1.299	20	30		EDEDRP
C=C(Cl)C[C@@H]([NH3+])C(=O)NCC1CC[NH+](C2CCOCC2)CC1	ZINC000876957744	597396951	/nfs/dbraw/zinc/39/69/51/597396951.db2.gz	FMWXHAXIKIKWGQ-OAHLLOKOSA-N	2	0	329.872	1.464	20	30		EDEDRP
N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1	ZINC000877340744	597495631	/nfs/dbraw/zinc/49/56/31/597495631.db2.gz	PMYGJRHKZQKRRN-ICSRJNTNSA-N	2	0	346.434	1.576	20	30		EDEDRP
N#Cc1cc(C[NH+]2CCC[C@@H](O)C2)cc(C[N@H+]2CCC[C@@H](O)C2)c1	ZINC000877934914	597564899	/nfs/dbraw/zinc/56/48/99/597564899.db2.gz	HUZCXPRJHZZAMV-RTBURBONSA-N	2	0	329.444	1.472	20	30		EDEDRP
C[NH+](C)Cc1ccccc1CNC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N	ZINC000884180636	598017546	/nfs/dbraw/zinc/01/75/46/598017546.db2.gz	FUGBTILSXBPUPG-HFCFLWKCSA-N	2	0	326.444	1.504	20	30		EDEDRP
N#C[C@@H]1C[NH2+]CC12CC(C(=O)N1CC[NH+](CC3CCCCC3)CC1)C2	ZINC000884185097	598017699	/nfs/dbraw/zinc/01/76/99/598017699.db2.gz	KZUWWGRJJQCELJ-QPIRBTGLSA-N	2	0	344.503	1.850	20	30		EDEDRP
C[N@@H+]1CCN(C(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)C2(CCCCC2)C1	ZINC000884232491	598038091	/nfs/dbraw/zinc/03/80/91/598038091.db2.gz	SVVMHWSALHEQKC-PQUAAJSLSA-N	2	0	330.476	1.603	20	30		EDEDRP
N#C[C@@H]1C[NH2+]CC12CC(C(=O)Nc1ccc3c(c1)C[NH2+]CCO3)C2	ZINC000884291858	598057120	/nfs/dbraw/zinc/05/71/20/598057120.db2.gz	JSEQRQLHZVKDFX-TXKKKEFDSA-N	2	0	326.400	1.246	20	30		EDEDRP
N#C[C@H]1C[NH2+]CC12CC(C(=O)N[C@@H](CCC[NH3+])c1ccccc1)C2	ZINC000884337091	598073384	/nfs/dbraw/zinc/07/33/84/598073384.db2.gz	CXNNHPHJCWWJOM-VIHIWDAPSA-N	2	0	326.444	1.722	20	30		EDEDRP
C#CCN(C(=O)NC[C@@H](C)[N@@H+]1CCC[C@@H](C)C1)C1CC[NH+](C)CC1	ZINC000914074733	695069651	/nfs/dbraw/zinc/06/96/51/695069651.db2.gz	LJLFODAYDCXOPX-IAGOWNOFSA-N	2	0	334.508	1.846	20	30		EDEDRP
C#CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C3CC[NH+](CC4CC4)CC3)C[C@@H]21	ZINC000992865630	695412994	/nfs/dbraw/zinc/41/29/94/695412994.db2.gz	XKLJYVJABCDZCF-HSALFYBXSA-N	2	0	343.515	1.958	20	30		EDEDRP
C#CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C3CC[NH+](CC#C)CC3)C[C@@H]21	ZINC000992927299	695458189	/nfs/dbraw/zinc/45/81/89/695458189.db2.gz	SQGAIDQADNSYNL-CEXWTWQISA-N	2	0	327.472	1.182	20	30		EDEDRP
CC#CC[N@@H+]1CCC[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@H]1C	ZINC000993992432	696485005	/nfs/dbraw/zinc/48/50/05/696485005.db2.gz	WMCAKDVEKPDWNO-WBVHZDCISA-N	2	0	331.464	1.051	20	30		EDEDRP
CCC[NH+]1CCN(c2ccccc2C=[NH+]N2CCN(C)CC2)CC1	ZINC000915933620	696605201	/nfs/dbraw/zinc/60/52/01/696605201.db2.gz	FSAIGZOIWJCLKP-UHFFFAOYSA-N	2	0	329.492	1.800	20	30		EDEDRP
C=CCC[NH+]1CC(N2CCN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)CC2)C1	ZINC000941405087	701519307	/nfs/dbraw/zinc/51/93/07/701519307.db2.gz	ZQLVWICFOWXKGI-SFHVURJKSA-N	2	0	334.508	1.264	20	30		EDEDRP
C=C(Cl)C[NH2+][C@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1(C)C	ZINC000995827353	702100534	/nfs/dbraw/zinc/10/05/34/702100534.db2.gz	YOBSDXBLSPOOEM-GJZGRUSLSA-N	2	0	325.884	1.907	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)N2CCC([NH2+]C[C@H]3CCCCO3)CC2)CC1	ZINC000997365942	703599818	/nfs/dbraw/zinc/59/98/18/703599818.db2.gz	WPKUKRRQMICRAC-LJQANCHMSA-N	2	0	347.503	1.481	20	30		EDEDRP
C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H]([NH2+]Cc2cccc(C#N)c2)C(C)(C)C1	ZINC000995550089	703929614	/nfs/dbraw/zinc/92/96/14/703929614.db2.gz	HUPOQAPXUPZEAK-MSOLQXFVSA-N	2	0	340.471	1.979	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)N(C)C2CC([NH2+]CC[C@@H]3CCOC3)C2)CC1	ZINC000999869747	707512131	/nfs/dbraw/zinc/51/21/31/707512131.db2.gz	GQZQOUMQJBLWHP-IPJUCJBFSA-N	2	0	347.503	1.337	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)N(C)C2CC([NH2+]Cc3nccs3)C2)CC1	ZINC000999871678	707514842	/nfs/dbraw/zinc/51/48/42/707514842.db2.gz	YGCCZYQWRPRKIM-UHFFFAOYSA-N	2	0	346.500	1.567	20	30		EDEDRP
C=CC[NH+]1CC[C@H](n2cc(CNC(=O)[C@@H]3CCC[N@H+]3CCC)nn2)C1	ZINC000999985691	707655773	/nfs/dbraw/zinc/65/57/73/707655773.db2.gz	DKAZMJULIZRVEH-IRXDYDNUSA-N	2	0	346.479	1.202	20	30		EDEDRP
C=C(C)C[N@H+]1CC[C@H](N(CC)C(=O)c2ccn(CC[NH+](C)C)n2)C1	ZINC001033838718	708868883	/nfs/dbraw/zinc/86/88/83/708868883.db2.gz	SVIZDMKBVSIALU-INIZCTEOSA-N	2	0	333.480	1.557	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)N(CC)[C@H]2CC[N@H+](C[C@H](C)OC)C2)CC1	ZINC001034046690	709299676	/nfs/dbraw/zinc/29/96/76/709299676.db2.gz	UGTSQDANWXMOLU-WMZOPIPTSA-N	2	0	335.492	1.289	20	30		EDEDRP
C=C(C)C[N@H+]1CCCC[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1	ZINC001034211130	709562592	/nfs/dbraw/zinc/56/25/92/709562592.db2.gz	YEPLOLVVMXIQKI-MRXNPFEDSA-N	2	0	333.480	1.605	20	30		EDEDRP
C#CCC[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C2CCOCC2)C1	ZINC001034241248	709626364	/nfs/dbraw/zinc/62/63/64/709626364.db2.gz	PPQYWWRERCOQAK-MJGOQNOKSA-N	2	0	347.503	1.624	20	30		EDEDRP
C=CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)COC2CC[NH+](C)CC2)CC1	ZINC001004586853	712020963	/nfs/dbraw/zinc/02/09/63/712020963.db2.gz	VTYHJCUFOFSNAT-LJQANCHMSA-N	2	0	349.519	1.986	20	30		EDEDRP
C=CC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)CC1	ZINC001004616686	712076673	/nfs/dbraw/zinc/07/66/73/712076673.db2.gz	NCFIGZLZCJPBIB-HKUYNNGSSA-N	2	0	349.519	1.844	20	30		EDEDRP
CC[NH+]=C(NCC(C)(C)[NH+]1CCC(OC)CC1)N1CCC(O)CC1	ZINC000262780904	249323624	/nfs/dbraw/zinc/32/36/24/249323624.db2.gz	KVEWXFODHDSSAF-UHFFFAOYSA-N	2	0	340.512	1.298	20	30		EDEDRP
C[C@H](CNC(=[NH2+])N1CCN(c2ncccn2)CC1)C[NH+]1CCCCC1	ZINC000264071068	249330633	/nfs/dbraw/zinc/33/06/33/249330633.db2.gz	DEOCOZFGOUHJMI-MRXNPFEDSA-N	2	0	345.495	1.035	20	30		EDEDRP
C[NH+](C)CC1CC[NH+](CC#CC[NH+]2CCC(C[NH+](C)C)CC2)CC1	ZINC000341848944	250001130	/nfs/dbraw/zinc/00/11/30/250001130.db2.gz	QGCOEXRUBGTCNY-UHFFFAOYSA-N	4	0	334.552	1.537	20	30		EDEDRP
N#Cc1ncn(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)n1	ZINC000367691535	154232200	/nfs/dbraw/zinc/23/22/00/154232200.db2.gz	VBDYCRZLWFPVPP-AYHJJNSGSA-N	2	0	336.443	1.935	20	30		EDEDRP
C[NH+]1CCC([C@H]2CC[N@H+](C[C@H]3CNc4c(C#N)cnn4C3)C2)CC1	ZINC000518188176	267333809	/nfs/dbraw/zinc/33/38/09/267333809.db2.gz	ZPZFEBIXWGXPHM-ZBFHGGJFSA-N	2	0	328.464	1.460	20	30		EDEDRP
C[N@@H+]1CCC[C@H](CC[NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)C1	ZINC000521426836	267337870	/nfs/dbraw/zinc/33/78/70/267337870.db2.gz	QNZBRTRDRFFKKB-MRXNPFEDSA-N	2	0	335.473	1.653	20	30		EDEDRP
C[C@@H]1C[NH+](CCCNC(=[NH2+])N[C@@H]2CCOc3ccccc32)C[C@@H](C)O1	ZINC000083030591	441346699	/nfs/dbraw/zinc/34/66/99/441346699.db2.gz	KIBCXBWFSMSXKB-BFYDXBDKSA-N	2	0	346.475	1.914	20	30		EDEDRP
C=CC[NH+]1CCC(NC(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)CC1	ZINC000074132525	441397172	/nfs/dbraw/zinc/39/71/72/441397172.db2.gz	ZWVBQQFZIBTHLT-QGZVFWFLSA-N	2	0	338.496	1.389	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)CC1	ZINC000050024973	441370186	/nfs/dbraw/zinc/37/01/86/441370186.db2.gz	VIFOHIVXAJSUER-GOSISDBHSA-N	2	0	331.435	1.890	20	30		EDEDRP
CC[NH+](CC)CCOc1ccccc1CNC(=[NH2+])N1CCOCC1	ZINC000264134309	443252108	/nfs/dbraw/zinc/25/21/08/443252108.db2.gz	ZFJWIDAOMDUIAB-UHFFFAOYSA-N	2	0	334.464	1.554	20	30		EDEDRP
N#CCCCCNC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1	ZINC000264175566	443253566	/nfs/dbraw/zinc/25/35/66/443253566.db2.gz	WZIRIAUMLUKIML-UHFFFAOYSA-N	2	0	344.463	1.587	20	30		EDEDRP
CC[N@H+](CC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)C1CC1	ZINC000269651827	443380202	/nfs/dbraw/zinc/38/02/02/443380202.db2.gz	MLDDGXGYKIPUOO-UHFFFAOYSA-N	2	0	328.460	1.933	20	30		EDEDRP
COc1ccc(CNC[C@@](C)(O)C[NH+](C)C)cc1OCCCC#N	ZINC000269847106	443454003	/nfs/dbraw/zinc/45/40/03/443454003.db2.gz	WXSDUPGCAIVCHU-GOSISDBHSA-N	2	0	335.448	1.780	20	30		EDEDRP
C=C(C)CNC(=[NH2+])NCc1cccc(CNC(=[NH2+])NCC(=C)C)c1	ZINC000274249338	443600266	/nfs/dbraw/zinc/60/02/66/443600266.db2.gz	YBAAHUDQUSIEIW-UHFFFAOYSA-N	2	0	328.464	1.647	20	30		EDEDRP
C=CC[NH+](CC=C)[C@@H](CNC(=O)C1(COC)CC[NH2+]CC1)C(C)C	ZINC000279957782	443649956	/nfs/dbraw/zinc/64/99/56/443649956.db2.gz	USEDTPOEEUJSDA-KRWDZBQOSA-N	2	0	337.508	1.817	20	30		EDEDRP
C=CCCCNC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1	ZINC000280261304	443685415	/nfs/dbraw/zinc/68/54/15/443685415.db2.gz	ZXTGXWJANKCTBL-UHFFFAOYSA-N	2	0	331.464	1.859	20	30		EDEDRP
C#CCNC(=O)CC[NH2+][C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C	ZINC000294519273	444120498	/nfs/dbraw/zinc/12/04/98/444120498.db2.gz	JCGAYSBKVHXIRS-YRWFTTLQSA-N	2	0	327.472	1.872	20	30		EDEDRP
C#CCN(C)CCC[NH2+][C@@H](C)CC(=O)Nc1ccc(OC)cc1OC	ZINC000294877221	444153315	/nfs/dbraw/zinc/15/33/15/444153315.db2.gz	DDTDSRDNMWVKOB-HNNXBMFYSA-N	2	0	347.459	1.966	20	30		EDEDRP
CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@]1(CO)C[C@H]1c1ccccc1	ZINC000290614898	444301606	/nfs/dbraw/zinc/30/16/06/444301606.db2.gz	JUMPARKHAZFMPV-AOIWGVFYSA-N	2	0	330.476	1.541	20	30		EDEDRP
Cn1nccc1[C@H]1[C@H](CNC(=O)[C@H]2CN(C)CCO2)CCC[N@@H+]1C	ZINC000329191690	444496791	/nfs/dbraw/zinc/49/67/91/444496791.db2.gz	QNTUHCIILOHMJA-NUEKZKHPSA-N	2	0	335.452	1.090	20	30		EDEDRP
C(#CC[N@@H+]1CC[C@H]([C@@H]2CCOC2)C1)C[NH+]1CC[C@H]([C@@H]2CCOC2)C1	ZINC000367080447	446505165	/nfs/dbraw/zinc/50/51/65/446505165.db2.gz	LCEVFPDUAIXEJL-VNTMZGSJSA-N	2	0	332.488	1.707	20	30		EDEDRP
Oc1cccc2c1C[C@H]([NH2+]CC#CC[NH2+][C@H]1Cc3cccc(O)c3C1)C2	ZINC000551735407	447906613	/nfs/dbraw/zinc/90/66/13/447906613.db2.gz	INDOSAYNCVJWFJ-HDICACEKSA-N	2	0	348.446	1.915	20	30		EDEDRP
CC(CC[NH+]1CC[C@@](O)(CC#N)C1)CC[N@@H+]1CC[C@@](O)(CC#N)C1	ZINC000592153306	448714592	/nfs/dbraw/zinc/71/45/92/448714592.db2.gz	LRHBQKQFUXULJC-ROUUACIJSA-N	2	0	334.464	1.104	20	30		EDEDRP
C[C@H](C(=O)NC1(C#N)CCC1)[NH+]1CCC(CC[NH+]2CCOCC2)CC1	ZINC000569208939	448979431	/nfs/dbraw/zinc/97/94/31/448979431.db2.gz	HMSXFFCQXQJALI-MRXNPFEDSA-N	2	0	348.491	1.372	20	30		EDEDRP
N#CCCCC[C@H]([NH3+])C(=O)NCC1([NH+]2CCSCC2)CCCC1	ZINC000594440964	449519886	/nfs/dbraw/zinc/51/98/86/449519886.db2.gz	KEYBISRIPIDNNY-HNNXBMFYSA-N	2	0	338.521	1.875	20	30		EDEDRP
Cn1cc(C[NH2+]CCN2CC[C@@H](O)C2)c(-c2ccc(C#N)cc2)n1	ZINC000599011036	449698369	/nfs/dbraw/zinc/69/83/69/449698369.db2.gz	XCTLBODAUDBCQL-QGZVFWFLSA-N	2	0	325.416	1.115	20	30		EDEDRP
C=CC[C@@H]1CCC[NH+](CC(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)C1	ZINC000661376363	453802661	/nfs/dbraw/zinc/80/26/61/453802661.db2.gz	BFWNSJHDRCCECL-MSOLQXFVSA-N	2	0	337.508	1.748	20	30		EDEDRP
C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)CC(=O)NCCC#N	ZINC000771460090	580287249	/nfs/dbraw/zinc/28/72/49/580287249.db2.gz	AFDPUHZGHKQMEM-UHFFFAOYSA-N	2	0	329.448	1.650	20	30		EDEDRP
C[NH+]1CCC(C[NH2+][C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1	ZINC000894005017	591166085	/nfs/dbraw/zinc/16/60/85/591166085.db2.gz	FRSNJBPKHYFYCJ-SFHVURJKSA-N	2	0	326.444	1.591	20	30		EDEDRP
N#CCCC[C@@H]([NH3+])C(=O)Nc1ccccc1C(=O)OC1CC[NH2+]CC1	ZINC000818539175	593703857	/nfs/dbraw/zinc/70/38/57/593703857.db2.gz	TVMGOMHMDMOAKM-OAHLLOKOSA-N	2	0	344.415	1.555	20	30		EDEDRP
CN(CCC#N)C[C@@H](O)C[NH2+]C1CC[NH+](CC2CCCCC2)CC1	ZINC000818984127	593732161	/nfs/dbraw/zinc/73/21/61/593732161.db2.gz	XSIDFFKFZUVDTD-IBGZPJMESA-N	2	0	336.524	1.827	20	30		EDEDRP
CCN1CC[NH+](CCCC[NH2+]C[C@@H](O)c2ccc(C#N)cc2)CC1	ZINC000819063204	593736744	/nfs/dbraw/zinc/73/67/44/593736744.db2.gz	XLABOLOZCOFCHQ-LJQANCHMSA-N	2	0	330.476	1.599	20	30		EDEDRP
C[C@H](C(=O)N[C@@H]1C[NH2+]C[C@H]1C#N)[NH+]1CCC(Cc2ccccc2)CC1	ZINC000834489232	595140342	/nfs/dbraw/zinc/14/03/42/595140342.db2.gz	KYWYPVTZFMCGBI-ATZDWAIDSA-N	2	0	340.471	1.557	20	30		EDEDRP
O=C(C#CC1CC[NH2+]CC1)NCc1cccc(C[NH+]2CCCC2)c1	ZINC000852857936	595578817	/nfs/dbraw/zinc/57/88/17/595578817.db2.gz	KJWDREKVFLBQFO-UHFFFAOYSA-N	2	0	325.456	1.902	20	30		EDEDRP
C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)C1	ZINC000867973570	596640458	/nfs/dbraw/zinc/64/04/58/596640458.db2.gz	CZMMRWKLWMXVAL-QXAKKESOSA-N	2	0	338.455	1.688	20	30		EDEDRP
N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)NCc1ccc(C[NH3+])cc1F	ZINC000867982070	596643930	/nfs/dbraw/zinc/64/39/30/596643930.db2.gz	IJGOQMDHRHZPCI-GOSISDBHSA-N	2	0	338.386	1.659	20	30		EDEDRP
COCCC1(NC(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)CC[NH2+]CC1	ZINC000868043793	596666907	/nfs/dbraw/zinc/66/69/07/596666907.db2.gz	UGDMYZKOMVCNMI-KRWDZBQOSA-N	2	0	342.443	1.020	20	30		EDEDRP
C[NH+](C)C[C@@H]1CN(c2cccc(C#N)c2[N+](=O)[O-])C[C@H]1C[NH+](C)C	ZINC000866011063	596757026	/nfs/dbraw/zinc/75/70/26/596757026.db2.gz	VAEULSPGTHJHKD-HUUCEWRRSA-N	2	0	331.420	1.642	20	30		EDEDRP
C[NH+](C)C[C@@H]1CN(c2c(C#N)nnc3ccccc32)C[C@H]1C[NH+](C)C	ZINC000866012823	596758021	/nfs/dbraw/zinc/75/80/21/596758021.db2.gz	RKFFTLLDUASLTM-HUUCEWRRSA-N	2	0	338.459	1.677	20	30		EDEDRP
C[NH+](C)C1(CNC(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)CCCC1	ZINC000876710472	597297844	/nfs/dbraw/zinc/29/78/44/597297844.db2.gz	LHYVKAIRMXPARG-QGZVFWFLSA-N	2	0	326.444	1.736	20	30		EDEDRP
C=C(Cl)C[C@@H]([NH3+])C(=O)Nc1ccnn1C1CC[NH+](CC)CC1	ZINC000876712531	597299724	/nfs/dbraw/zinc/29/97/24/597299724.db2.gz	AGGDNXZHDJAYDA-CYBMUJFWSA-N	2	0	325.844	1.948	20	30		EDEDRP
CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)C1	ZINC000876777266	597336558	/nfs/dbraw/zinc/33/65/58/597336558.db2.gz	OSUKWIWVLSGFSR-QFBILLFUSA-N	2	0	340.471	1.935	20	30		EDEDRP
C#CC[N@@H+](C)CCCNC(=O)N1CCN(c2cc[nH+]cc2)[C@H](C)C1	ZINC000883667979	597856019	/nfs/dbraw/zinc/85/60/19/597856019.db2.gz	KGKXZBXGFJBQFN-MRXNPFEDSA-N	2	0	329.448	1.257	20	30		EDEDRP
C=CC[NH+](CC=C)[C@@H](CNC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N)C(C)C	ZINC000884191696	598021484	/nfs/dbraw/zinc/02/14/84/598021484.db2.gz	KMZNEVJQPVOUAJ-NRGCRIOASA-N	2	0	344.503	1.941	20	30		EDEDRP
COc1ccc(C[NH+](C)C)cc1NC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N	ZINC000884193849	598022729	/nfs/dbraw/zinc/02/27/29/598022729.db2.gz	QZBCVMKNUVTXBO-XAUUPUKJSA-N	2	0	342.443	1.835	20	30		EDEDRP
N#C[C@@H]1C[NH2+]CC12CC(C(=O)NCC1CC[NH+](CC3CC3)CC1)C2	ZINC000884420400	598100168	/nfs/dbraw/zinc/10/01/68/598100168.db2.gz	RKXLZTJKTHJPJY-TVRKMHQQSA-N	2	0	330.476	1.364	20	30		EDEDRP
C[C@@H]1[C@H](C(=O)NCC2CN(Cc3cc(C#N)ccc3F)C2)CC[N@@H+]1C	ZINC001031682644	697506313	/nfs/dbraw/zinc/50/63/13/697506313.db2.gz	POWYGJSCMFTRJI-CXAGYDPISA-N	2	0	344.434	1.586	20	30		EDEDRP
C=C(C)CC[NH+]1CC(N2CCN(C(=O)C[NH+]3CCC(C)CC3)CC2)C1	ZINC000941614762	701596979	/nfs/dbraw/zinc/59/69/79/701596979.db2.gz	KCMBMUPWGVOVJP-UHFFFAOYSA-N	2	0	348.535	1.513	20	30		EDEDRP
C=CC[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C(C)(C)C1	ZINC000940908162	700980073	/nfs/dbraw/zinc/98/00/73/700980073.db2.gz	JJVFTGGYVKBNEQ-BHEGOAEISA-N	2	0	333.476	1.252	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)NCC2C[NH+](CCc3ccccc3)C2)CC1	ZINC001032207223	702116679	/nfs/dbraw/zinc/11/66/79/702116679.db2.gz	IGUZYGPUCJGLBD-UHFFFAOYSA-N	2	0	339.483	1.622	20	30		EDEDRP
C=C(C)C[NH2+][C@@H]1CN(C(=O)c2cnn(CC[NH+](C)C)c2)CC1(C)C	ZINC000996403676	702758663	/nfs/dbraw/zinc/75/86/63/702758663.db2.gz	XIKLHPLZLAYNGO-MRXNPFEDSA-N	2	0	333.480	1.461	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)N2C[C@@H]([NH2+]C[C@@H]3CCOC3)C(C)(C)C2)CC1	ZINC000996672037	702973234	/nfs/dbraw/zinc/97/32/34/702973234.db2.gz	QCASXQJEOQOCNE-FUHWJXTLSA-N	2	0	347.503	1.195	20	30		EDEDRP
C#CCCN1CC[NH+](C2CCC(NC(=O)[C@H]3CCC[N@H+]3C)CC2)CC1	ZINC000996764154	703056399	/nfs/dbraw/zinc/05/63/99/703056399.db2.gz	IYXVQFZFXMRNDI-CTWPCTMYSA-N	2	0	346.519	1.149	20	30		EDEDRP
C=CC[NH+]1CC[C@H](CN(Cc2cccnc2)C(=O)[C@@H]2CC[N@@H+](C)C2)C1	ZINC000995266830	703183768	/nfs/dbraw/zinc/18/37/68/703183768.db2.gz	IXQLBCDZYOFOBJ-RBUKOAKNSA-N	2	0	342.487	1.870	20	30		EDEDRP
C=C(C)C[NH+]1CCC([C@H](C)NC(=O)c2cnn(CC[NH+](C)C)c2)CC1	ZINC000997794373	704702176	/nfs/dbraw/zinc/70/21/76/704702176.db2.gz	RGPQTUAGEZBDRO-INIZCTEOSA-N	2	0	347.507	1.851	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)N(C)C2CC([NH2+]CC3CCOCC3)C2)CC1	ZINC000999876816	707524985	/nfs/dbraw/zinc/52/49/85/707524985.db2.gz	TXBNXWSWVUIUIH-UHFFFAOYSA-N	2	0	347.503	1.337	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CC2CCOCC2)CC1	ZINC001032800441	708080870	/nfs/dbraw/zinc/08/08/70/708080870.db2.gz	JEJCJFHBPPODCS-OALUTQOASA-N	2	0	345.487	1.043	20	30		EDEDRP
CN(C(=O)C[NH+]1CCCC1)[C@H]1CC[N@H+](Cc2ccc(C#N)cc2)C1	ZINC001033656718	708426538	/nfs/dbraw/zinc/42/65/38/708426538.db2.gz	DFNUQGWXADQEBU-SFHVURJKSA-N	2	0	326.444	1.687	20	30		EDEDRP
C[N@@H+]1CC[C@H](C(=O)NCC2CC[NH+](Cc3ccccc3C#N)CC2)C1	ZINC001002120189	708633611	/nfs/dbraw/zinc/63/36/11/708633611.db2.gz	HXKQKRRZNZKLIL-IBGZPJMESA-N	2	0	340.471	1.838	20	30		EDEDRP
C=CCC[N@H+]1CC[C@@H](N(CC)C(=O)c2ccn(CC[NH+](C)C)n2)C1	ZINC001033837160	708866107	/nfs/dbraw/zinc/86/61/07/708866107.db2.gz	LDNONUDDFCIEQB-MRXNPFEDSA-N	2	0	333.480	1.557	20	30		EDEDRP
C=C(C)CC[N@H+]1CC[C@@H](N(CC)C(=O)c2ccn(CC[NH+](C)C)n2)C1	ZINC001033838098	708868341	/nfs/dbraw/zinc/86/83/41/708868341.db2.gz	OYVUJCXBAYCLDU-QGZVFWFLSA-N	2	0	347.507	1.947	20	30		EDEDRP
COc1ccc(CNC(=[NH2+])NCC[N@@H+]2CCCC[C@@H]2C)cc1OC	ZINC000264097585	249333942	/nfs/dbraw/zinc/33/39/42/249333942.db2.gz	NBMIVWHWKIRHKH-AWEZNQCLSA-N	2	0	334.464	1.983	20	30		EDEDRP
N#Cc1ccc2c(c1)[C@@H]([NH2+]CCCC[NH+]1CCN(CCO)CC1)CC2	ZINC000353248515	149339226	/nfs/dbraw/zinc/33/92/26/149339226.db2.gz	BAOAHROWBJLSGF-FQEVSTJZSA-N	2	0	342.487	1.525	20	30		EDEDRP
N#Cc1ccc2c(c1)[C@@H]([NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F)CC2	ZINC000423380952	270012230	/nfs/dbraw/zinc/01/22/30/270012230.db2.gz	FCARJHOSTMQURA-JKSUJKDBSA-N	2	0	338.377	1.971	20	30		EDEDRP
C[C@@H]1C[NH+]2CCC[C@@H]2CN1CC#CCN1C[C@@H]2CCC[N@H+]2C[C@@H]1C	ZINC000341880620	288305094	/nfs/dbraw/zinc/30/50/94/288305094.db2.gz	FVBWDFBZFFQOFG-FGYAAKKASA-N	2	0	330.520	1.327	20	30		EDEDRP
C=CCOc1ccc(C[NH2+][C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)cc1	ZINC000414988510	447387015	/nfs/dbraw/zinc/38/70/15/447387015.db2.gz	MCKDMCBVCUTGLE-QUCCMNQESA-N	2	0	343.471	1.988	20	30		EDEDRP
CN(CC[N@H+](C)CCOc1ccc(C#N)cc1)C1CC[NH+](C)CC1	ZINC000177375100	442334123	/nfs/dbraw/zinc/33/41/23/442334123.db2.gz	FINJHAJFMKIAPS-UHFFFAOYSA-N	2	0	330.476	1.895	20	30		EDEDRP
CN1CCC(CNC(=[NH2+])Nc2ccccn2)([NH+]2CCCCC2)CC1	ZINC000178585833	442445653	/nfs/dbraw/zinc/44/56/53/442445653.db2.gz	FTVOHIBTQLVXST-UHFFFAOYSA-N	2	0	330.480	1.759	20	30		EDEDRP
C=C(Cl)CNC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1	ZINC000265527734	442810629	/nfs/dbraw/zinc/81/06/29/442810629.db2.gz	BMMDIHMPSYRPME-UHFFFAOYSA-N	2	0	337.855	1.645	20	30		EDEDRP
CNC(=O)C(C)(C)CNC(=[NH+]C)N1CC[C@@H](C)[C@@H](n2ccnc2)C1	ZINC000261987879	443178457	/nfs/dbraw/zinc/17/84/57/443178457.db2.gz	QNXZGZOQASUFTD-KGLIPLIRSA-N	2	0	334.468	1.114	20	30		EDEDRP
C[NH+]=C(NC[C@@H](O)c1cccc(OC)c1)N1CC[C@H]([NH+]2CC=CC2)C1	ZINC000262761779	443210998	/nfs/dbraw/zinc/21/09/98/443210998.db2.gz	DMTOEVWXGITRDI-FUHWJXTLSA-N	2	0	344.459	1.250	20	30		EDEDRP
CCCCCCNC(=[NH2+])NC[C@H](O)C[N@@H+]1CCc2ccccc2C1	ZINC000264116321	443249719	/nfs/dbraw/zinc/24/97/19/443249719.db2.gz	SQKURMJSXLDQPB-SFHVURJKSA-N	2	0	332.492	1.890	20	30		EDEDRP
C[C@H](C(=O)N(C)CCC#N)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1	ZINC000280555434	443736278	/nfs/dbraw/zinc/73/62/78/443736278.db2.gz	UPJDXGRVGCEHHT-QRQLOZEOSA-N	2	0	340.471	1.811	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)CC1	ZINC000299157240	443970478	/nfs/dbraw/zinc/97/04/78/443970478.db2.gz	PLJNCFGTCCGPLH-QGZVFWFLSA-N	2	0	329.444	1.878	20	30		EDEDRP
C[NH+](CCNc1nc(NCC[N@@H+](C)C2CC2)ccc1C#N)C1CC1	ZINC000278169068	444110869	/nfs/dbraw/zinc/11/08/69/444110869.db2.gz	CLPWBVNKXUQRJV-UHFFFAOYSA-N	2	0	328.464	1.965	20	30		EDEDRP
C#CC[N@@H+](C)CCCNC(=O)N(CC[NH+](C)C)Cc1ccc(C)o1	ZINC000297607655	444308004	/nfs/dbraw/zinc/30/80/04/444308004.db2.gz	WLHHAIMDCGFLLF-UHFFFAOYSA-N	2	0	334.464	1.616	20	30		EDEDRP
C[C@@H]1CC[C@](CO)([NH+](C)CC#CC[N@@H+](C)[C@]2(CO)CC[C@H](C)C2)C1	ZINC000342168968	444545630	/nfs/dbraw/zinc/54/56/30/444545630.db2.gz	OVNOUZSETNDTFY-JVSBHGNQSA-N	2	0	336.520	1.956	20	30		EDEDRP
CC(C)[NH+]1CCC(NC(=O)C[NH2+]C2(CO)Cc3ccccc3C2)CC1	ZINC000329730741	444695398	/nfs/dbraw/zinc/69/53/98/444695398.db2.gz	PPDHXCAJWATZFZ-UHFFFAOYSA-N	2	0	345.487	1.935	20	30		EDEDRP
C=C(C)[C@H]1OCC[C@H]1C(=O)N1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1	ZINC000373910429	446340865	/nfs/dbraw/zinc/34/08/65/446340865.db2.gz	YYBUHNRBVNPOCQ-CGTJXYLNSA-N	2	0	335.492	1.595	20	30		EDEDRP
C[C@H]1C[NH2+]CC[C@H]1NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1	ZINC000418584860	446603788	/nfs/dbraw/zinc/60/37/88/446603788.db2.gz	COQGWOLZKRODOR-MAUKXSAKSA-N	2	0	343.475	1.629	20	30		EDEDRP
O[C@@H]1CC[C@@H]2C[NH+](CC#CC[N@H+]3C[C@@H]4CC[C@H](O)C[C@@H]4C3)C[C@@H]2C1	ZINC000412047051	446808399	/nfs/dbraw/zinc/80/83/99/446808399.db2.gz	OMNSOYDIKWWIJC-XAWFRAJHSA-N	2	0	332.488	1.175	20	30		EDEDRP
CSC1(C[NH2+]Cc2cnc3c(C#N)cnn3c2)CC[NH+](C)CC1	ZINC000577062386	448203169	/nfs/dbraw/zinc/20/31/69/448203169.db2.gz	IFWVLMZZCWKVHI-UHFFFAOYSA-N	2	0	330.461	1.518	20	30		EDEDRP
N#Cc1ccc(CN2CC[C@@H]([NH2+]C3CCC(C[NH3+])CC3)C2=O)cc1	ZINC000591572697	448394052	/nfs/dbraw/zinc/39/40/52/448394052.db2.gz	SKMATUPMCZWFIH-VMWRSERWSA-N	2	0	326.444	1.766	20	30		EDEDRP
C=CC[NH+]1CCC(NC(=O)N2CCc3ccccc3[C@H]2C[NH3+])CC1	ZINC000584408872	448515752	/nfs/dbraw/zinc/51/57/52/448515752.db2.gz	HYGZDUTXWIIWJW-GOSISDBHSA-N	2	0	328.460	1.905	20	30		EDEDRP
N#Cc1cccc(C[NH+]2CCC(NC(=O)CCOC3C[NH2+]C3)CC2)c1	ZINC000593919173	449287594	/nfs/dbraw/zinc/28/75/94/449287594.db2.gz	QWRIZEMIZYDKON-UHFFFAOYSA-N	2	0	342.443	1.017	20	30		EDEDRP
C[C@H](CCNc1ccc(C#N)c(NCC[C@H](C)[NH+](C)C)n1)[NH+](C)C	ZINC000596429727	449498204	/nfs/dbraw/zinc/49/82/04/449498204.db2.gz	IZKHJVPMZJVSBP-CABCVRRESA-N	2	0	332.496	2.457	20	30		EDEDRP
C[NH+](C)CCc1ccc(C[NH2+]C[C@@H](O)CC2(C#N)CCOCC2)cc1	ZINC000600733009	449523941	/nfs/dbraw/zinc/52/39/41/449523941.db2.gz	GLNIBNZDLBZCDD-IBGZPJMESA-N	2	0	345.487	1.952	20	30		EDEDRP
C=CC[C@]1(C(=O)N2CCC(CC)([NH+]3CCOCC3)CC2)CCC[NH2+]1	ZINC000638730277	451668701	/nfs/dbraw/zinc/66/87/01/451668701.db2.gz	XTNLGZXVWIZMPX-LJQANCHMSA-N	2	0	335.492	1.788	20	30		EDEDRP
C[C@@H](CO)C1CC[NH+](CC#CC[NH+]2CCC([C@H](C)CO)CC2)CC1	ZINC000649799419	452264748	/nfs/dbraw/zinc/26/47/48/452264748.db2.gz	WSYRKHYUAQOVKU-HDICACEKSA-N	2	0	336.520	1.671	20	30		EDEDRP
C=CCNC(=O)[C@H](C)[NH+]1CCC(c2cc(C3CC[NH2+]CC3)[nH]n2)CC1	ZINC000662327174	453045896	/nfs/dbraw/zinc/04/58/96/453045896.db2.gz	FAAVAMHWPPYGAQ-AWEZNQCLSA-N	2	0	345.491	1.747	20	30		EDEDRP
CC[NH+]=C(NCC1CCN(C(C)=O)CC1)N1CC[C@H]([NH+]2CC=CC2)C1	ZINC000130693674	528803378	/nfs/dbraw/zinc/80/33/78/528803378.db2.gz	QMBIQAKOMIAQPT-SFHVURJKSA-N	2	0	347.507	1.157	20	30		EDEDRP
CC(C)([NH3+])CCNC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000892231830	590876582	/nfs/dbraw/zinc/87/65/82/590876582.db2.gz	DOLOHDDTQVMLKL-UHFFFAOYSA-N	2	0	343.475	1.949	20	30		EDEDRP
CC(C)(C[NH3+])C1CC[NH+](C[C@@H](O)COc2ccccc2C#N)CC1	ZINC000903790905	592316110	/nfs/dbraw/zinc/31/61/10/592316110.db2.gz	GLHXIFFDEFFWNV-QGZVFWFLSA-N	2	0	331.460	1.995	20	30		EDEDRP
C=C(CC[NH+](C)C)C(=O)N1CCC(C)(C[NH+]2CCN(C)CC2)CC1	ZINC000907356058	592609116	/nfs/dbraw/zinc/60/91/16/592609116.db2.gz	UWWNYYVYAOHOIB-UHFFFAOYSA-N	2	0	336.524	1.370	20	30		EDEDRP
CCOC(=O)C1([C@@H](C)[NH2+]Cc2ccc(OCC#N)cc2)CC[NH2+]CC1	ZINC000817917846	593648508	/nfs/dbraw/zinc/64/85/08/593648508.db2.gz	IKOAMPXTSNMAEU-OAHLLOKOSA-N	2	0	345.443	2.000	20	30		EDEDRP
C#CC[C@H]1CCC[NH+](CC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)C1	ZINC000829769503	594259673	/nfs/dbraw/zinc/25/96/73/594259673.db2.gz	WJIYJSVAOHSKRS-ZWKOTPCHSA-N	2	0	335.492	1.195	20	30		EDEDRP
CC[NH+](CC)CCOc1ccccc1NC(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N	ZINC000841026352	594841410	/nfs/dbraw/zinc/84/14/10/594841410.db2.gz	YOIDVRJBKWHJRY-GOEBONIOSA-N	2	0	345.447	1.640	20	30		EDEDRP
C=C(C[NH+](C)C)C(=O)NCC1(O)CC[NH+](Cc2ccccc2)CC1	ZINC000840531912	595260719	/nfs/dbraw/zinc/26/07/19/595260719.db2.gz	QHVMLQWOMOZYKD-UHFFFAOYSA-N	2	0	331.460	1.248	20	30		EDEDRP
C[NH+](C)C[C@@H]1CN(C(=O)c2sccc2CC#N)C[C@H]1C[NH+](C)C	ZINC000870025269	596714615	/nfs/dbraw/zinc/71/46/15/596714615.db2.gz	PKWCZQXUYYTPDZ-HUUCEWRRSA-N	2	0	334.489	1.626	20	30		EDEDRP
C#Cc1ccc(CNC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)cc1	ZINC000875629996	596926008	/nfs/dbraw/zinc/92/60/08/596926008.db2.gz	IXJOWQNRJFZPJQ-RTBURBONSA-N	2	0	342.487	1.549	20	30		EDEDRP
C[C@H](C[C@@H]1COCCN1)[NH2+]C1CCN(c2ccccc2C#N)CC1	ZINC000873239471	597235709	/nfs/dbraw/zinc/23/57/09/597235709.db2.gz	WZCOQMHBJCQALJ-CRAIPNDOSA-N	2	0	328.460	1.884	20	30		EDEDRP
CCOC(=O)C1([C@@H](C)[NH2+][C@H]2Cc3ccc(C#N)cc3C2)CC[NH2+]CC1	ZINC000873275359	597245767	/nfs/dbraw/zinc/24/57/67/597245767.db2.gz	KSUIBAPEHDPCBI-KDOFPFPSSA-N	2	0	341.455	1.936	20	30		EDEDRP
CC[NH+](CC)[C@@H]1CCN(C(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)C1	ZINC000876718770	597303733	/nfs/dbraw/zinc/30/37/33/597303733.db2.gz	TVKPTPSRQNYSHQ-SJLPKXTDSA-N	2	0	326.444	1.688	20	30		EDEDRP
N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2	ZINC000876801654	597344960	/nfs/dbraw/zinc/34/49/60/597344960.db2.gz	HFZKNSSUZRMDQE-SQNIBIBYSA-N	2	0	338.455	1.516	20	30		EDEDRP
C[NH+](Cc1cc(C#N)cc(C[N@@H+](C)[C@@H]2CCOC2)c1)[C@@H]1CCOC1	ZINC000878084259	597576946	/nfs/dbraw/zinc/57/69/46/597576946.db2.gz	QBVQYPJMSXANTN-RTBURBONSA-N	2	0	329.444	2.000	20	30		EDEDRP
C#Cc1cccc(NC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c1	ZINC000878115634	597579558	/nfs/dbraw/zinc/57/95/58/597579558.db2.gz	DDFKVSCOPSFRFE-IAGOWNOFSA-N	2	0	328.460	1.871	20	30		EDEDRP
C[NH+](C)[C@H](CNC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N)C1CCCCC1	ZINC000884189190	598020755	/nfs/dbraw/zinc/02/07/55/598020755.db2.gz	YINJYWNQFKBTLF-VZDIDWBNSA-N	2	0	332.492	1.752	20	30		EDEDRP
C[C@@H]1C[NH+](CCCCNC(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)C[C@@H](C)O1	ZINC000884196087	598023939	/nfs/dbraw/zinc/02/39/39/598023939.db2.gz	HMOMKNBOHVERNW-RWUQJRKBSA-N	2	0	348.491	1.131	20	30		EDEDRP
N#C[C@@H]1C[NH2+]CC12CC(C(=O)Nc1ccc([C@@H]3C[NH2+]CCO3)cc1)C2	ZINC000884408554	598096482	/nfs/dbraw/zinc/09/64/82/598096482.db2.gz	LHTSSWIDGGFACT-VOLNDZDFSA-N	2	0	340.427	1.425	20	30		EDEDRP
C#CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)c3ccn(-c4cc[nH+]cc4)n3)C[C@@H]21	ZINC000992742780	695262821	/nfs/dbraw/zinc/26/28/21/695262821.db2.gz	FPQVMZDOARLFHK-RYQLBKOJSA-N	2	0	349.438	1.731	20	30		EDEDRP
CCC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(CC#Cc2ccccc2)C1	ZINC001031710963	697715542	/nfs/dbraw/zinc/71/55/42/697715542.db2.gz	AYVFNOKWWCPNIP-FQEVSTJZSA-N	2	0	339.483	1.961	20	30		EDEDRP
C=C(C)CC[NH+]1CC(N2CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)CC2)C1	ZINC000941566708	701585395	/nfs/dbraw/zinc/58/53/95/701585395.db2.gz	KMGVYOOQVZEAQU-QGZVFWFLSA-N	2	0	334.508	1.123	20	30		EDEDRP
C[C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1[NH2+]Cc1ccc(C#N)cc1	ZINC000939752844	699902181	/nfs/dbraw/zinc/90/21/81/699902181.db2.gz	AQTNQQRWXVACJD-MAUKXSAKSA-N	2	0	326.444	1.591	20	30		EDEDRP
C=C(C)C[NH2+][C@H]1CN(C(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)CC1(C)C	ZINC000996069685	702480607	/nfs/dbraw/zinc/48/06/07/702480607.db2.gz	KUCXKSZQRLDUKM-BHEGOAEISA-N	2	0	333.476	1.252	20	30		EDEDRP
C=C(C)CN1CC[NH+](C2CCC(NC(=O)C[NH+]3CCCC3)CC2)CC1	ZINC000996803264	703093634	/nfs/dbraw/zinc/09/36/34/703093634.db2.gz	RPWOEPRDUMODCE-UHFFFAOYSA-N	2	0	348.535	1.703	20	30		EDEDRP
CC#CC[NH+]1CCC([C@@H](C)NC(=O)c2ccn(CC[NH+](C)C)n2)CC1	ZINC000997093960	703341519	/nfs/dbraw/zinc/34/15/19/703341519.db2.gz	MUNGPMMZDVRULC-MRXNPFEDSA-N	2	0	345.491	1.298	20	30		EDEDRP
N#Cc1ccc(C[NH2+]C2CCN(C(=O)C34CC[NH+](CC3)C4)CC2)s1	ZINC000997192040	703489328	/nfs/dbraw/zinc/48/93/28/703489328.db2.gz	IWUQSVDBOQAUKJ-UHFFFAOYSA-N	2	0	344.484	1.796	20	30		EDEDRP
C[C@H]1C[N@H+](Cc2ccccc2C#N)CC[C@@H]1NC(=O)C[NH+]1CCCC1	ZINC000944942723	704795159	/nfs/dbraw/zinc/79/51/59/704795159.db2.gz	CKUGUMIBRFTKBS-LPHOPBHVSA-N	2	0	340.471	1.981	20	30		EDEDRP
C[C@H]1C[N@H+](CC#Cc2ccccc2)CC[C@@H]1NC(=O)C[NH+]1CCCC1	ZINC000944946483	704799434	/nfs/dbraw/zinc/79/94/34/704799434.db2.gz	WRRMWPAQKURCDQ-ICSRJNTNSA-N	2	0	339.483	1.961	20	30		EDEDRP
N#Cc1ccccc1C[NH2+]CC1CCN(C(=O)C[NH+]2CCCC2)CC1	ZINC000998270628	705649132	/nfs/dbraw/zinc/64/91/32/705649132.db2.gz	WLQZMDOHINSNJC-UHFFFAOYSA-N	2	0	340.471	1.982	20	30		EDEDRP
C=CC[NH2+][C@@H]1CN(C(=O)C2CC[NH+](C)CC2)CC[C@@H]1C(F)(F)F	ZINC000998284459	705679403	/nfs/dbraw/zinc/67/94/03/705679403.db2.gz	HAQWCMIWNHKZNS-UONOGXRCSA-N	2	0	333.398	1.883	20	30		EDEDRP
CN(C(=O)C12CC[NH+](CC1)C2)C1CC([NH2+]Cc2ccc(C#N)s2)C1	ZINC000999708811	707301149	/nfs/dbraw/zinc/30/11/49/707301149.db2.gz	OILNZKPLVHXELH-UHFFFAOYSA-N	2	0	344.484	1.795	20	30		EDEDRP
CN(C(=O)[C@H]1CC[N@H+](C)C1)C1CC([NH2+]Cc2ccc(C#N)c(F)c2)C1	ZINC000999835443	707469182	/nfs/dbraw/zinc/46/91/82/707469182.db2.gz	GAIBRWGKUORUDP-GTPINHCMSA-N	2	0	344.434	1.728	20	30		EDEDRP
C[N@@H+]1CC[C@@H](C(=O)NCC2CC[NH+](CC#Cc3ccccc3)CC2)C1	ZINC001002121226	708635268	/nfs/dbraw/zinc/63/52/68/708635268.db2.gz	QUILQCONEXLKKN-HXUWFJFHSA-N	2	0	339.483	1.818	20	30		EDEDRP
C=CCC[N@H+]1C[C@@H]2CCN(C(=O)CCN3CCOCC3)CC[C@@H]2C1	ZINC000946824630	709549568	/nfs/dbraw/zinc/54/95/68/709549568.db2.gz	XDNASEWWSAEOAS-HDICACEKSA-N	2	0	335.492	1.455	20	30		EDEDRP
C#CCN1CCC[C@H]1C(=O)NC1CC[NH+](CC2CCOCC2)CC1	ZINC001003057493	709892818	/nfs/dbraw/zinc/89/28/18/709892818.db2.gz	ZNUUXTKLROPPMQ-SFHVURJKSA-N	2	0	333.476	1.091	20	30		EDEDRP
C#CCN1CCC[C@H]1C(=O)NC1CC[NH+](Cc2conc2CC)CC1	ZINC001003056877	709906551	/nfs/dbraw/zinc/90/65/51/709906551.db2.gz	VMTSZXHWIASAQY-SFHVURJKSA-N	2	0	344.459	1.415	20	30		EDEDRP
CC#CC[N@@H+]1CCCC[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1	ZINC001034435184	710008043	/nfs/dbraw/zinc/00/80/43/710008043.db2.gz	HAJRYWBNFGCOKL-KRWDZBQOSA-N	2	0	331.464	1.052	20	30		EDEDRP
C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC001003631778	710460652	/nfs/dbraw/zinc/46/06/52/710460652.db2.gz	VCUOWZFWEPABDR-DNVCBOLYSA-N	2	0	340.471	1.837	20	30		EDEDRP
C#CCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)C23CC[NH+](CC2)C3)CC1	ZINC001004598923	712042543	/nfs/dbraw/zinc/04/25/43/712042543.db2.gz	ATGWRRFPONQWFF-GOSISDBHSA-N	2	0	329.488	1.809	20	30		EDEDRP
CC#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)C23CC[NH+](CC2)C3)CC1	ZINC001004599032	712043190	/nfs/dbraw/zinc/04/31/90/712043190.db2.gz	BSVOWRPSMILAMT-SFHVURJKSA-N	2	0	329.488	1.809	20	30		EDEDRP
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NCC1CC[NH2+]CC1	ZINC000565529130	306386020	/nfs/dbraw/zinc/38/60/20/306386020.db2.gz	INUIKDXCQKQCBB-UHFFFAOYSA-N	2	0	343.475	1.631	20	30		EDEDRP
OCCCC1CC[NH+](CC#CC[NH+]2CCC(CCCO)CC2)CC1	ZINC000341912490	250002463	/nfs/dbraw/zinc/00/24/63/250002463.db2.gz	RAVGGNCJHQNKHY-UHFFFAOYSA-N	2	0	336.520	1.959	20	30		EDEDRP
Cc1cc(C[NH3+])cc(NC(=O)C(=O)N(CCC#N)CCC[NH+](C)C)c1	ZINC000424467546	252240039	/nfs/dbraw/zinc/24/00/39/252240039.db2.gz	NKZDWTICRVQELN-UHFFFAOYSA-N	2	0	345.447	1.086	20	30		EDEDRP
CCN1CC[NH+](CCCC[NH2+]Cc2cnc3ccc(C#N)cn23)CC1	ZINC000123286635	222249743	/nfs/dbraw/zinc/24/97/43/222249743.db2.gz	CPFMZNOKNRMQOK-UHFFFAOYSA-N	2	0	340.475	1.713	20	30		EDEDRP
CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc(Cn2cncn2)cc1	ZINC000170909283	442286761	/nfs/dbraw/zinc/28/67/61/442286761.db2.gz	MDHCNBZOWZXKFQ-KRWDZBQOSA-N	2	0	341.463	1.215	20	30		EDEDRP
C[NH+]=C(NCCn1cnc2ccccc21)N[C@H]1C[N@@H+](C(C)C)C[C@H]1C	ZINC000261942101	443174718	/nfs/dbraw/zinc/17/47/18/443174718.db2.gz	DSNPGYRXYZOZLR-WBVHZDCISA-N	2	0	342.491	1.930	20	30		EDEDRP
CC[NH+]=C(NCc1cccc2c1OCO2)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C	ZINC000262001845	443179492	/nfs/dbraw/zinc/17/94/92/443179492.db2.gz	UNIQUTJXNBLDHO-CJNGLKHVSA-N	2	0	344.459	1.953	20	30		EDEDRP
C[NH+]=C(NCc1nccn1C(F)F)N1CC[C@@H]([NH+]2CCCCC2)C1	ZINC000262432815	443194442	/nfs/dbraw/zinc/19/44/42/443194442.db2.gz	FNTHQFAOXWCVET-CYBMUJFWSA-N	2	0	340.422	1.914	20	30		EDEDRP
C[NH+]=C(NC[C@@H](O)c1ccc(F)cc1)N1CC[C@H]([NH+]2CC=CC2)C1	ZINC000262754191	443209801	/nfs/dbraw/zinc/20/98/01/443209801.db2.gz	AQMLJAPNPHZIOY-DLBZAZTESA-N	2	0	332.423	1.381	20	30		EDEDRP
C#CCNC(=O)[C@@H](C)[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1	ZINC000264037446	443246170	/nfs/dbraw/zinc/24/61/70/443246170.db2.gz	CNJPXFMQERKYRJ-QGZVFWFLSA-N	2	0	327.472	1.968	20	30		EDEDRP
C[C@@H]([NH2+]CCCN1CCC[C@@H]1C(N)=O)c1ccc(OCC#N)cc1	ZINC000271919242	443517238	/nfs/dbraw/zinc/51/72/38/443517238.db2.gz	ZQCLUKAIXKNPAM-RHSMWYFYSA-N	2	0	330.432	1.579	20	30		EDEDRP
Cc1cccc(N2CC[NH+](CCCCNC3=[NH+]CCN3C)CC2)c1	ZINC000284945458	443794466	/nfs/dbraw/zinc/79/44/66/443794466.db2.gz	DNYRZTKLFXKHPO-UHFFFAOYSA-N	2	0	329.492	1.788	20	30		EDEDRP
COc1cc(C[NH2+]C[C@H](C(C)C)N2CC[NH+](C)CC2)ccc1C#N	ZINC000281845170	444021497	/nfs/dbraw/zinc/02/14/97/444021497.db2.gz	YRSIBLTYYQNJOY-GOSISDBHSA-N	2	0	330.476	1.928	20	30		EDEDRP
CN(CCC[N@H+](C)C[C@H](O)COc1ccc(C#N)cc1)CC[NH+](C)C	ZINC000289358422	444116535	/nfs/dbraw/zinc/11/65/35/444116535.db2.gz	GZKQHWQRFITAHB-SFHVURJKSA-N	2	0	348.491	1.113	20	30		EDEDRP
C[NH+]1CCC([C@@H]2CCN(C(=O)N[C@H]3CCn4ccnc4C3)C2)CC1	ZINC000330178496	444875233	/nfs/dbraw/zinc/87/52/33/444875233.db2.gz	DTNDZNLZJARHII-CVEARBPZSA-N	2	0	331.464	1.776	20	30		EDEDRP
CC(C)[NH+]1CCCN(CC#CCN2CCC[N@@H+](C(C)C)CC2)CC1	ZINC000341895454	445058302	/nfs/dbraw/zinc/05/83/02/445058302.db2.gz	MGHNPYGPGAZROL-UHFFFAOYSA-N	2	0	334.552	1.822	20	30		EDEDRP
C=CCc1cc(C[N@@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)cc(OC)c1O	ZINC000347170197	445233361	/nfs/dbraw/zinc/23/33/61/445233361.db2.gz	NFSBHKZSCCQXAR-MRXNPFEDSA-N	2	0	347.459	1.416	20	30		EDEDRP
C=CCOCCC[NH+]1CCN(C[C@H]2C[N@H+](C(C)C)CCO2)CC1	ZINC000348027973	445262840	/nfs/dbraw/zinc/26/28/40/445262840.db2.gz	GJWNQMSCIYAIOG-SFHVURJKSA-N	2	0	325.497	1.306	20	30		EDEDRP
C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1)C(C)C	ZINC000417056897	447731859	/nfs/dbraw/zinc/73/18/59/447731859.db2.gz	AHMTYUTUNTYLAC-RCCFBDPRSA-N	2	0	334.508	1.936	20	30		EDEDRP
C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCCO[C@H](C[NH3+])C1)C(C)C	ZINC000417072862	447733638	/nfs/dbraw/zinc/73/36/38/447733638.db2.gz	XNTMORFCBOTQLR-SJORKVTESA-N	2	0	338.496	1.444	20	30		EDEDRP
CC[NH+]1CCN(CC(C)(C)[NH2+]CCOc2cccc(C#N)c2)CC1	ZINC000451988695	447797445	/nfs/dbraw/zinc/79/74/45/447797445.db2.gz	PHQBAJPNKZNEFE-UHFFFAOYSA-N	2	0	330.476	1.943	20	30		EDEDRP
C[N@@H+]1CCC[C@@H](CC[NH2+]C[C@H](O)COc2ccc(CC#N)cc2)C1	ZINC000572028568	448267137	/nfs/dbraw/zinc/26/71/37/448267137.db2.gz	CMGCQXSJXZYXST-ROUUACIJSA-N	2	0	331.460	1.814	20	30		EDEDRP
N#Cc1ccc(S(=O)(=O)CCNCCC[NH+]2CCCCC2)cc1	ZINC000568156064	448824112	/nfs/dbraw/zinc/82/41/12/448824112.db2.gz	CWKRNRUWFGAWRS-UHFFFAOYSA-N	2	0	335.473	1.798	20	30		EDEDRP
C[NH+](C)C1(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)CC1	ZINC000597819952	449106267	/nfs/dbraw/zinc/10/62/67/449106267.db2.gz	JOEAEDUZWLDBMY-UHFFFAOYSA-N	2	0	326.444	1.733	20	30		EDEDRP
C[NH+]1CCC(C#N)(NC(=O)[C@H]2CCC[N@H+](Cc3cccnc3)C2)CC1	ZINC000604546007	449250867	/nfs/dbraw/zinc/25/08/67/449250867.db2.gz	BVRKDCFQICATPI-KRWDZBQOSA-N	2	0	341.459	1.398	20	30		EDEDRP
C=CC[C@]1(C(=O)N2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)CCC[NH2+]1	ZINC000595946227	449273473	/nfs/dbraw/zinc/27/34/73/449273473.db2.gz	BPKPDHIVTKNMDM-PKOBYXMFSA-N	2	0	334.508	1.312	20	30		EDEDRP
N#Cc1ccc(C2([NH2+]C[C@H]3CCC4(C[NH2+]C4)O3)CCOCC2)cc1	ZINC000600740548	449526946	/nfs/dbraw/zinc/52/69/46/449526946.db2.gz	IZTGFAKGZFDWMK-QGZVFWFLSA-N	2	0	327.428	1.675	20	30		EDEDRP
C[NH+](C)Cc1cccc(C[NH2+]C[C@H](O)CC2(C#N)CCOCC2)c1	ZINC000600717723	449516127	/nfs/dbraw/zinc/51/61/27/449516127.db2.gz	MJHYAEDMYRCMIQ-GOSISDBHSA-N	2	0	331.460	1.909	20	30		EDEDRP
C[NH+](C)CCN(CC[NH+](C)C)C(=O)N[C@@H]1CCc2cc(C#N)ccc21	ZINC000618847899	450321028	/nfs/dbraw/zinc/32/10/28/450321028.db2.gz	RQYKNTTXCGNKIW-GOSISDBHSA-N	2	0	343.475	1.680	20	30		EDEDRP
C[C@H](CO)[C@H]1CCCC[NH+]1CC#CC[N@H+]1CCCC[C@H]1[C@H](C)CO	ZINC000661440850	453818406	/nfs/dbraw/zinc/81/84/06/453818406.db2.gz	FIYIQVKGRZSGMD-WTGUMLROSA-N	2	0	336.520	1.956	20	30		EDEDRP
CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCC[S@@](=O)Cc1ccccc1	ZINC000267379667	535549365	/nfs/dbraw/zinc/54/93/65/535549365.db2.gz	ARDDTZRYHJMIDC-WAIKUNEKSA-N	2	0	336.505	1.324	20	30		EDEDRP
C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCc1ccc(OCC#N)cc1	ZINC000741083900	579396831	/nfs/dbraw/zinc/39/68/31/579396831.db2.gz	CGLOVVPMGPZEHA-UHFFFAOYSA-N	2	0	347.463	1.224	20	30		EDEDRP
C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1[nH]c2ccccc2c1C#N	ZINC000896682175	591572778	/nfs/dbraw/zinc/57/27/78/591572778.db2.gz	RMGJDFPUFAYYTD-UHFFFAOYSA-N	2	0	327.432	1.605	20	30		EDEDRP
C#CCC[NH+]1CCC(NC(=O)CCCN2CC[NH+](C(C)C)CC2)CC1	ZINC000900799627	592119932	/nfs/dbraw/zinc/11/99/32/592119932.db2.gz	VFULUONSJWQRCX-UHFFFAOYSA-N	2	0	348.535	1.397	20	30		EDEDRP
N#Cc1ccccc1N1CCC([NH2+]C2CCN(CC[NH3+])CC2)CC1	ZINC000904384520	592247429	/nfs/dbraw/zinc/24/74/29/592247429.db2.gz	MDARFVZEWLSRDJ-UHFFFAOYSA-N	2	0	327.476	1.540	20	30		EDEDRP
C#CC[C@H](Cc1ccccc1)NC(=O)N(CC[NH+](C)C)CC[NH+](C)C	ZINC000807466974	593174278	/nfs/dbraw/zinc/17/42/78/593174278.db2.gz	IVEWOJPGYUOXQM-LJQANCHMSA-N	2	0	344.503	1.756	20	30		EDEDRP
C[C@@H]1C[C@H](C)N(C(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)C[C@@H]1C[NH3+]	ZINC000867979920	596643203	/nfs/dbraw/zinc/64/32/03/596643203.db2.gz	LDEJVUIFIDEHJX-VNVHMNPZSA-N	2	0	326.444	1.577	20	30		EDEDRP
CN(C[C@@H](O)C[NH2+]C1CCN(c2ccccc2C#N)CC1)C1CC1	ZINC000872222276	596841851	/nfs/dbraw/zinc/84/18/51/596841851.db2.gz	RKHJOAHAVQCYFL-SFHVURJKSA-N	2	0	328.460	1.572	20	30		EDEDRP
C[NH+](Cc1cc(C#N)cc(C[N@@H+](C)C2CC(O)C2)c1)C1CC(O)C1	ZINC000878430380	597601157	/nfs/dbraw/zinc/60/11/57/597601157.db2.gz	FBNLNVLGEOJWML-UHFFFAOYSA-N	2	0	329.444	1.468	20	30		EDEDRP
C[N@H+](CCCNC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N)C1CCCCC1	ZINC000884189250	598020728	/nfs/dbraw/zinc/02/07/28/598020728.db2.gz	AHMPGEOTNNXJPJ-WUJZJPHMSA-N	2	0	332.492	1.897	20	30		EDEDRP
C#CC[NH+]1CCC(NC(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)CC1	ZINC000914099514	695098363	/nfs/dbraw/zinc/09/83/63/695098363.db2.gz	CRIMBHHWUCLNRD-QGZVFWFLSA-N	2	0	334.508	1.895	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)NC2C[NH+](CC3CCC(C)CC3)C2)CC1	ZINC001031435572	697103166	/nfs/dbraw/zinc/10/31/66/697103166.db2.gz	AFACFEUQRXQWJQ-UHFFFAOYSA-N	2	0	331.504	1.958	20	30		EDEDRP
C#CCN1CCC[C@H]1C(=O)NCC1C[NH+](Cc2ccccc2C)C1	ZINC001031740898	698312875	/nfs/dbraw/zinc/31/28/75/698312875.db2.gz	NNNHDWKBSHNKPA-IBGZPJMESA-N	2	0	325.456	1.641	20	30		EDEDRP
C=CCC[NH+]1CC(N2CCN(C(=O)[C@@H]3CCC[C@H]4CCC[N@@H+]43)CC2)C1	ZINC000941602819	701593342	/nfs/dbraw/zinc/59/33/42/701593342.db2.gz	AGUBGXZHEAOWFO-HKUYNNGSSA-N	2	0	346.519	1.408	20	30		EDEDRP
C[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1[NH2+]Cc1ccc(C#N)s1	ZINC000939545278	699687458	/nfs/dbraw/zinc/68/74/58/699687458.db2.gz	NNDDVYJHBLGVKF-BBRMVZONSA-N	2	0	344.484	1.652	20	30		EDEDRP
C=C(Br)C[NH2+][C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C	ZINC000939757389	699924521	/nfs/dbraw/zinc/92/45/21/699924521.db2.gz	YBZQFRAHWISYQB-YPMHNXCESA-N	2	0	330.270	1.427	20	30		EDEDRP
C=C(C)CC[NH+]1CC(N2CCN(C(=O)C[N@@H+](C)C3CCC3)CC2)C1	ZINC000941438279	701540947	/nfs/dbraw/zinc/54/09/47/701540947.db2.gz	NXCOFJQEQPUZMH-UHFFFAOYSA-N	2	0	334.508	1.265	20	30		EDEDRP
C=C(C)C[NH2+][C@@H]1CN(C(=O)c2ccn(CC[NH+](C)C)n2)CC1(C)C	ZINC000995817350	702133065	/nfs/dbraw/zinc/13/30/65/702133065.db2.gz	ZKDUQPWJGVMBRQ-MRXNPFEDSA-N	2	0	333.480	1.461	20	30		EDEDRP
C=C(Br)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1(C)C	ZINC000996611001	702916000	/nfs/dbraw/zinc/91/60/00/702916000.db2.gz	LZBHOISUNOQYGC-CHWSQXEVSA-N	2	0	344.297	1.673	20	30		EDEDRP
C=CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC[NH+]1C1CCOCC1	ZINC001032443930	703620731	/nfs/dbraw/zinc/62/07/31/703620731.db2.gz	FVRPFNFLOFPLNL-OKZBNKHCSA-N	2	0	333.476	1.491	20	30		EDEDRP
CC#CC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)CC1	ZINC000997691244	704563862	/nfs/dbraw/zinc/56/38/62/704563862.db2.gz	IZEGCZUQBDBXCR-BPOAAREJSA-N	2	0	345.487	1.090	20	30		EDEDRP
C#CC[NH+]1CCC(N(C)C(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)CC1	ZINC001005495464	709205114	/nfs/dbraw/zinc/20/51/14/709205114.db2.gz	CAXAVAHGVFOEPK-SFHVURJKSA-N	2	0	333.476	1.186	20	30		EDEDRP
CCN(C(=O)[C@H]1CC[NH+](C)C1)[C@@H]1CC[N@H+](Cc2cccc(C#N)c2)C1	ZINC001034044085	709295830	/nfs/dbraw/zinc/29/58/30/709295830.db2.gz	ZXGGNSCBSXSARA-RBUKOAKNSA-N	2	0	340.471	1.933	20	30		EDEDRP
C=C(C)CC[NH+]1CCC(NC(=O)c2ccn(CC[NH+](C)C)n2)CC1	ZINC001002838226	709453872	/nfs/dbraw/zinc/45/38/72/709453872.db2.gz	MKMJPUYHMRNXFH-UHFFFAOYSA-N	2	0	333.480	1.605	20	30		EDEDRP
C=C(C)C[NH+]1CCC(NC(=O)NCCC[NH2+]Cc2cccnc2)CC1	ZINC000417536337	251184686	/nfs/dbraw/zinc/18/46/86/251184686.db2.gz	KGZXKXNDHCSBJY-UHFFFAOYSA-N	2	0	345.491	1.901	20	30		EDEDRP
C[C@@H](CCC[NH3+])NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1	ZINC000418703548	251388491	/nfs/dbraw/zinc/38/84/91/251388491.db2.gz	LWLFLKPFMMHVHR-INIZCTEOSA-N	2	0	343.475	1.903	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)N(CC[NH+](C)C)C[C@H]2CCC[N@H+]2CC)CC1	ZINC000490594463	255093454	/nfs/dbraw/zinc/09/34/54/255093454.db2.gz	PABWMFPQYVITPN-LJQANCHMSA-N	3	0	348.535	1.206	20	30		EDEDRP
C[NH+](C)CCCN(CCC[NH+](C)C)Cc1cnc2c(C#N)cnn2c1	ZINC000514862963	270014996	/nfs/dbraw/zinc/01/49/96/270014996.db2.gz	KRQDPCBABZROCD-UHFFFAOYSA-N	2	0	343.479	1.306	20	30		EDEDRP
COc1cc(C[N@@H+]2CCC[C@H](n3cc(C[NH3+])nn3)C2)ccc1C#N	ZINC000415122354	447391483	/nfs/dbraw/zinc/39/14/83/447391483.db2.gz	IEIZROFSFXVGTG-INIZCTEOSA-N	2	0	326.404	1.454	20	30		EDEDRP
CC#CC[NH+]1CCC(C(=O)NCC[N@H+](C)Cc2ccccc2)CC1	ZINC000081156097	441236864	/nfs/dbraw/zinc/23/68/64/441236864.db2.gz	KTVZHQMIFHRABH-UHFFFAOYSA-N	2	0	327.472	1.970	20	30		EDEDRP
CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCOCc1ccc(OC)cc1	ZINC000092854071	441834476	/nfs/dbraw/zinc/83/44/76/441834476.db2.gz	NSMFRBXTVUCCIK-MRXNPFEDSA-N	2	0	334.464	1.600	20	30		EDEDRP
CC[NH+]=C(NC[C@H](O)c1ccc(C)cc1)N1CC[C@@H]([NH+]2CC=CC2)C1	ZINC000153476399	442284912	/nfs/dbraw/zinc/28/49/12/442284912.db2.gz	NEUHDLAARFLGTJ-MOPGFXCFSA-N	2	0	342.487	1.940	20	30		EDEDRP
CCO[C@@H]1C[C@H](NC(=[NH2+])NC[C@@H]2CCC[N@@H+]2CC)C12CCOCC2	ZINC000248629322	442909956	/nfs/dbraw/zinc/90/99/56/442909956.db2.gz	GGYXIJVCZGPNGK-HRCADAONSA-N	2	0	338.496	1.349	20	30		EDEDRP
CC[NH+]=C(NC[C@@H]1CC[N@H+](C)C1)N1CC[C@@H](Oc2ccccn2)C1	ZINC000261955818	443176107	/nfs/dbraw/zinc/17/61/07/443176107.db2.gz	IQNHZXQCXJZOHG-JKSUJKDBSA-N	2	0	331.464	1.452	20	30		EDEDRP
C[NH+]=C(NCc1ccc(C(N)=O)o1)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C	ZINC000262428611	443194271	/nfs/dbraw/zinc/19/42/71/443194271.db2.gz	SBDWKYJINVKPFM-YHWZYXNKSA-N	2	0	333.436	1.059	20	30		EDEDRP
C[NH+]=C(NC[C@](C)(O)c1ccco1)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C	ZINC000262766207	443211474	/nfs/dbraw/zinc/21/14/74/443211474.db2.gz	HGNXQBSSZFXIBG-MUSFGAPCSA-N	2	0	334.464	1.667	20	30		EDEDRP
C[NH+]=C(NCCCC[NH+]1CCN(c2ccccc2)CC1)NC1CC1	ZINC000264036232	443246418	/nfs/dbraw/zinc/24/64/18/443246418.db2.gz	GVZJBUDCQSBEMF-UHFFFAOYSA-N	2	0	329.492	1.916	20	30		EDEDRP
CCN(CC)C(=[NH2+])NCCC[NH+]1CCN(c2ccc(OC)cc2)CC1	ZINC000264054109	443246608	/nfs/dbraw/zinc/24/66/08/443246608.db2.gz	AARQCYIANMGFQR-UHFFFAOYSA-N	2	0	347.507	1.864	20	30		EDEDRP
C[C@@H](C[NH+](C)C)N1CC(=O)C(=C2N(C)c3ccccc3N2C)C1=N	ZINC000286670290	443720884	/nfs/dbraw/zinc/72/08/84/443720884.db2.gz	YVVWSUSGEZPMPL-LBPRGKRZSA-N	2	0	327.432	1.596	20	30		EDEDRP
C=CCN(CC=C)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1	ZINC000299552703	444077854	/nfs/dbraw/zinc/07/78/54/444077854.db2.gz	YADNGTHDMVZBLE-UHFFFAOYSA-N	2	0	343.475	1.977	20	30		EDEDRP
[NH2+]=C(NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1)N1CCOCC1	ZINC000290669440	444308559	/nfs/dbraw/zinc/30/85/59/444308559.db2.gz	OVADBSMVCXQMFG-GOSISDBHSA-N	2	0	330.476	1.936	20	30		EDEDRP
C[NH+](C)C1CCN(CCNC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)CC1	ZINC000328811278	444360987	/nfs/dbraw/zinc/36/09/87/444360987.db2.gz	FEJVIFJOZFJTOR-IAGOWNOFSA-N	2	0	337.512	1.143	20	30		EDEDRP
C[N@@H+]1CCC[C@@H]1CNC(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1	ZINC000329303725	444527541	/nfs/dbraw/zinc/52/75/41/444527541.db2.gz	XONVBVNTGYFFDH-ZACQAIPSSA-N	2	0	338.496	1.352	20	30		EDEDRP
CC(C)[NH+]1CCC(O)(CNC(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)CC1	ZINC000329915449	444766730	/nfs/dbraw/zinc/76/67/30/444766730.db2.gz	DAQKWFBAMBEMOR-HUUCEWRRSA-N	2	0	326.485	1.208	20	30		EDEDRP
CCC[NH+]1CCC(NC(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)CC1	ZINC000330211227	444890257	/nfs/dbraw/zinc/89/02/57/444890257.db2.gz	IYROTLFQYGJIFM-UHFFFAOYSA-N	2	0	348.495	2.350	20	30		EDEDRP
C[C@@H]1COCCN1CC[NH+]1CCN(Cc2ccc(C#N)cc2)CC1	ZINC000337129942	444954667	/nfs/dbraw/zinc/95/46/67/444954667.db2.gz	JJGVCHBFFYVSGB-QGZVFWFLSA-N	2	0	328.460	1.397	20	30		EDEDRP
C[C@H]1C[N@H+](C[C@H](O)c2ccc(C#N)cc2)CCN1C1CC[NH+](C)CC1	ZINC000373529029	446249494	/nfs/dbraw/zinc/24/94/94/446249494.db2.gz	KRPSMUCVNBKZTQ-JXFKEZNVSA-N	2	0	342.487	1.692	20	30		EDEDRP
C(#CC[N@@H+]1CC[C@@H]([C@H]2CCOC2)C1)C[NH+]1CC[C@H]([C@@H]2CCOC2)C1	ZINC000367080445	446505025	/nfs/dbraw/zinc/50/50/25/446505025.db2.gz	LCEVFPDUAIXEJL-JVSBHGNQSA-N	2	0	332.488	1.707	20	30		EDEDRP
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CCC[NH2+]C1	ZINC000418392533	446526388	/nfs/dbraw/zinc/52/63/88/446526388.db2.gz	ZNGUEEHBHINJED-KRWDZBQOSA-N	2	0	329.448	1.383	20	30		EDEDRP
C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@H]1[NH2+]CCC(=O)N(C)CCC#N	ZINC000372361359	447048584	/nfs/dbraw/zinc/04/85/84/447048584.db2.gz	YYQCIIOZUGSDIY-BRWVUGGUSA-N	2	0	336.480	1.228	20	30		EDEDRP
C=C(C)C[NH+]1CCC(NC(=O)NCCN2CCO[C@H](CC)C2)CC1	ZINC000494913992	447463641	/nfs/dbraw/zinc/46/36/41/447463641.db2.gz	CPVFTEVNZBWUDQ-QGZVFWFLSA-N	2	0	338.496	1.437	20	30		EDEDRP
C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1)C(C)C	ZINC000417056896	447732287	/nfs/dbraw/zinc/73/22/87/447732287.db2.gz	AHMTYUTUNTYLAC-OKZBNKHCSA-N	2	0	334.508	1.936	20	30		EDEDRP
C=C(C)C[NH+]1CCC(NC(=O)NC[C@H]2CCCC[N@@H+]2CCO)CC1	ZINC000458321100	447768390	/nfs/dbraw/zinc/76/83/90/447768390.db2.gz	NCCSQHHPNVFCSV-QGZVFWFLSA-N	2	0	338.496	1.173	20	30		EDEDRP
CCN(C[C@@H](C)C#N)C(=O)C[NH2+]C(C)(C)CN1CC[NH+](CC)CC1	ZINC000451975871	447796118	/nfs/dbraw/zinc/79/61/18/447796118.db2.gz	ADCRDOMFHZBKFD-INIZCTEOSA-N	2	0	337.512	1.000	20	30		EDEDRP
C=CCOc1ccccc1C[NH2+]C[C@H](O)CN1C[C@@H](C)O[C@@H](C)C1	ZINC000562994285	448280088	/nfs/dbraw/zinc/28/00/88/448280088.db2.gz	WUMBHWDIFTXGNZ-JZXOWHBKSA-N	2	0	334.460	1.811	20	30		EDEDRP
C[C@@H](c1ccc(NC[C@@H](O)CN(C)CCC#N)cc1)N1CCOCC1	ZINC000566734176	448547087	/nfs/dbraw/zinc/54/70/87/448547087.db2.gz	WELBRPREDLBEPL-QFBILLFUSA-N	2	0	346.475	1.698	20	30		EDEDRP
COC[C@@H](CCC[NH3+])[NH2+]C1CCN(Cc2cccc(C#N)c2)CC1	ZINC000593323946	449226321	/nfs/dbraw/zinc/22/63/21/449226321.db2.gz	UHBKBAHUZZVJOH-LJQANCHMSA-N	2	0	330.476	1.866	20	30		EDEDRP
N#CCCCC[C@@H]([NH3+])C(=O)NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1	ZINC000595961830	449284860	/nfs/dbraw/zinc/28/48/60/449284860.db2.gz	URJZCUVKXTWKNZ-ZWKOTPCHSA-N	2	0	344.459	1.281	20	30		EDEDRP
CC(C)[C@@H](C[NH2+][C@@H](C)CC1(C#N)CCOCC1)N1CC[NH+](C)CC1	ZINC000602509850	449638442	/nfs/dbraw/zinc/63/84/42/449638442.db2.gz	GURFFVMCFIOACH-ZWKOTPCHSA-N	2	0	336.524	1.947	20	30		EDEDRP
C=CCN1CCC(NS(=O)(=O)c2cccc3c2CCN(C)C3)CC1	ZINC000641322290	451845937	/nfs/dbraw/zinc/84/59/37/451845937.db2.gz	XNWNEVPNLSHVIT-UHFFFAOYSA-N	2	0	349.500	1.603	20	30		EDEDRP
C=CC[C@]1(C(=O)N2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)CCC[NH2+]1	ZINC000662701322	453422113	/nfs/dbraw/zinc/42/21/13/453422113.db2.gz	OLXTVFGKMCRBRX-WSTZPKSXSA-N	2	0	348.535	1.702	20	30		EDEDRP
CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCN1CCc2ccccc2C1	ZINC000104167240	529100393	/nfs/dbraw/zinc/10/03/93/529100393.db2.gz	HYMHTNKOZQEZNY-SFHVURJKSA-N	2	0	329.492	1.433	20	30		EDEDRP
C#CCOc1ccccc1CNC(=O)N(CC[NH+](C)C)CC[NH+](C)C	ZINC000741088751	579397118	/nfs/dbraw/zinc/39/71/18/579397118.db2.gz	BJYDTQDXKOQFBG-UHFFFAOYSA-N	2	0	346.475	1.333	20	30		EDEDRP
CCOCCC[N@@H+]1CCC(=NNC2=[NH+][C@H]3CCCC[C@H]3N2)[C@H](C)C1	ZINC000753933135	579891497	/nfs/dbraw/zinc/89/14/97/579891497.db2.gz	BMBCYKXHAVSQSC-OIISXLGYSA-N	2	0	335.496	1.971	20	30		EDEDRP
C#C[C@H](NC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)[C@H]1CCCO1	ZINC000776225640	580411888	/nfs/dbraw/zinc/41/18/88/580411888.db2.gz	DPTSPKVQCFFAKE-DLBZAZTESA-N	2	0	338.496	1.082	20	30		EDEDRP
C=C(CC[NH+](C)C)C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1	ZINC000900431126	592016362	/nfs/dbraw/zinc/01/63/62/592016362.db2.gz	HZFBJWQHCHJNIO-UHFFFAOYSA-N	2	0	346.431	1.603	20	30		EDEDRP
C[NH+]=C(NCCN1CCOCC1)NCC1([NH+](C)C)CCCCCC1	ZINC000849053532	595475846	/nfs/dbraw/zinc/47/58/46/595475846.db2.gz	RTEGQYQBWDDTBX-UHFFFAOYSA-N	2	0	339.528	1.138	20	30		EDEDRP
CC[C@H](CNC(=O)C#CC1CC[NH2+]CC1)[N@@H+]1CCc2ccccc2C1	ZINC000852858864	595579889	/nfs/dbraw/zinc/57/98/89/595579889.db2.gz	JQHMOOKDPARPEG-HXUWFJFHSA-N	2	0	339.483	1.943	20	30		EDEDRP
C=C(C[NH+](C)C)C(=O)NC[C@H]1C[N@H+](C)CCN1Cc1ccccc1	ZINC000856328150	595955993	/nfs/dbraw/zinc/95/59/93/595955993.db2.gz	JWCICTSKEFDEMB-SFHVURJKSA-N	2	0	330.476	1.037	20	30		EDEDRP
C=C(C[NH+](C)C)C(=O)N1CC[C@@H](Oc2ccnc(C[N@@H+](C)CC)c2)C1	ZINC000856626669	596039353	/nfs/dbraw/zinc/03/93/53/596039353.db2.gz	KZFUXVXHMBHUNM-GOSISDBHSA-N	2	0	346.475	1.631	20	30		EDEDRP
CC[NH+]1CCN([C@@H](C)C[NH2+]Cc2cc(C#N)ccc2N(C)C)CC1	ZINC000865414134	596567037	/nfs/dbraw/zinc/56/70/37/596567037.db2.gz	KGIOEZJIVDMWDM-INIZCTEOSA-N	2	0	329.492	1.740	20	30		EDEDRP
C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21	ZINC000867979632	596642531	/nfs/dbraw/zinc/64/25/31/596642531.db2.gz	LFPGHNXYYXVSQB-BVGQSLNGSA-N	2	0	326.444	1.544	20	30		EDEDRP
COc1cc(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)ccc1C#N	ZINC000870017992	596710297	/nfs/dbraw/zinc/71/02/97/596710297.db2.gz	WJJXYDLSEBCPOF-IAGOWNOFSA-N	2	0	344.459	1.378	20	30		EDEDRP
C[NH+](C)C[C@@H]1CN(C(=O)Nc2cccc(C#N)c2)C[C@H]1C[NH+](C)C	ZINC000866040630	596770171	/nfs/dbraw/zinc/77/01/71/596770171.db2.gz	CNXGAPNPAMWDAE-HZPDHXFCSA-N	2	0	329.448	1.761	20	30		EDEDRP
C[C@H]([NH2+]CCCN1CCC[C@H]1C(=O)N(C)C)c1cccc(C#N)c1[O-]	ZINC000866253565	596838540	/nfs/dbraw/zinc/83/85/40/596838540.db2.gz	KQUMBSIGQWZPLT-YOEHRIQHSA-N	2	0	344.459	1.857	20	30		EDEDRP
C#CC[N@@H+](C)CCCNC(=O)N(CC(C)C)CC1CC[NH+](C)CC1	ZINC000875621772	596922294	/nfs/dbraw/zinc/92/22/94/596922294.db2.gz	ACCXYHJQFTUZPF-UHFFFAOYSA-N	2	0	336.524	1.951	20	30		EDEDRP
C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H]1CC[N@@H+](CCCOCC)C[C@H]1C	ZINC000876765500	597329641	/nfs/dbraw/zinc/32/96/41/597329641.db2.gz	SGXUMNSGOULAAZ-SNPRPXQTSA-N	2	0	331.888	1.710	20	30		EDEDRP
C=C(Cl)C[C@@H]([NH3+])C(=O)Nc1ccc(C(=O)NCC[NH+](C)C)cc1	ZINC000877009714	597410409	/nfs/dbraw/zinc/41/04/09/597410409.db2.gz	XNBIJWGXYMVNPY-CQSZACIVSA-N	2	0	338.839	1.386	20	30		EDEDRP
N#Cc1cc(C[NH2+][C@@H](CO)C2CC2)cc(C[NH2+][C@@H](CO)C2CC2)c1	ZINC000878419065	597600563	/nfs/dbraw/zinc/60/05/63/597600563.db2.gz	DPZZZYZWYRIDCP-OALUTQOASA-N	2	0	329.444	1.279	20	30		EDEDRP
C[NH+]1CCC[C@H]2[C@H]1CCN2CC#CCN1CC[C@H]2[C@H]1CCC[N@H+]2C	ZINC000880136989	597852840	/nfs/dbraw/zinc/85/28/40/597852840.db2.gz	VWBIVQWXURYIML-JVSBHGNQSA-N	2	0	330.520	1.327	20	30		EDEDRP
N#C[C@H]1C[NH2+]CC12CC(C(=O)Nc1ccc([C@H]3C[NH2+]CCO3)cc1)C2	ZINC000884408551	598096380	/nfs/dbraw/zinc/09/63/80/598096380.db2.gz	LHTSSWIDGGFACT-HLCARVAJSA-N	2	0	340.427	1.425	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)N2C[C@@H]3CCC[C@H]([NH2+]CCF)[C@H]3C2)CC1	ZINC000992930728	695459835	/nfs/dbraw/zinc/45/98/35/695459835.db2.gz	HNWMTQXGBZEBJD-BZSNNMDCSA-N	2	0	335.467	1.518	20	30		EDEDRP
C=C(C)CC[NH+]1CC(N2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)CC2)C1	ZINC000941533458	701573275	/nfs/dbraw/zinc/57/32/75/701573275.db2.gz	COKSBUJLVLLKCD-ROUUACIJSA-N	2	0	348.535	1.511	20	30		EDEDRP
C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCC1CN(Cc2ccc(C#N)s2)C1	ZINC001031978036	701984131	/nfs/dbraw/zinc/98/41/31/701984131.db2.gz	MRTKVVXDURMLRW-WBMJQRKESA-N	2	0	332.473	1.365	20	30		EDEDRP
C=CCN1CC[NH+](C2CCC(NC(=O)C[NH+]3CCCC3)CC2)CC1	ZINC000996803949	703094523	/nfs/dbraw/zinc/09/45/23/703094523.db2.gz	VKSPRUCKHCXMFB-UHFFFAOYSA-N	2	0	334.508	1.313	20	30		EDEDRP
C[N@@H+]1CC[C@@H](C(=O)N2CCC([NH2+]Cc3ccc(C#N)cc3F)CC2)C1	ZINC000997299996	703543722	/nfs/dbraw/zinc/54/37/22/703543722.db2.gz	SXPASANLPOTTAF-MRXNPFEDSA-N	2	0	344.434	1.730	20	30		EDEDRP
C[N@@H+]1CC[C@H](C(=O)N2CCC([NH2+]Cc3ccccc3C#N)CC2)C1	ZINC000997296913	703555758	/nfs/dbraw/zinc/55/57/58/703555758.db2.gz	CGAIAWBAOAQEQD-KRWDZBQOSA-N	2	0	326.444	1.591	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)N[C@H](C)C2CC[NH+](CCOC)CC2)CC1	ZINC000997434928	703664973	/nfs/dbraw/zinc/66/49/73/703664973.db2.gz	QYHOLBNBFCBKEK-MRXNPFEDSA-N	2	0	335.492	1.195	20	30		EDEDRP
C=C(C)CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1	ZINC001032529796	704032772	/nfs/dbraw/zinc/03/27/72/704032772.db2.gz	XGOFNZJVFAJTHZ-MYTOGIIISA-N	2	0	331.460	1.101	20	30		EDEDRP
C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2ccc(F)c(C#N)c2)C1	ZINC000998721650	706153261	/nfs/dbraw/zinc/15/32/61/706153261.db2.gz	NFPLDCVWZRSYTI-AEFFLSMTSA-N	2	0	344.434	1.872	20	30		EDEDRP
C[NH+](C)[C@@H](C(=O)N1CCC[C@@H]([NH2+]Cc2ccc(C#N)cc2)C1)C1CC1	ZINC000999369067	706882988	/nfs/dbraw/zinc/88/29/88/706882988.db2.gz	IPNGRCXXCGGBQT-RTBURBONSA-N	2	0	340.471	1.979	20	30		EDEDRP
C=C(C)CC[NH+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3CCC[N@H+]3C)nn2)C1	ZINC000999964191	707630159	/nfs/dbraw/zinc/63/01/59/707630159.db2.gz	VXIYXAFDCZJNRE-SJORKVTESA-N	2	0	346.479	1.202	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3C[C@H]2CCCOC2)CC1	ZINC001032801583	708083042	/nfs/dbraw/zinc/08/30/42/708083042.db2.gz	FKKNICSHMWPDHZ-NEWSRXKRSA-N	2	0	345.487	1.043	20	30		EDEDRP
CN(C(=O)C[NH+]1CCCC1)[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2)C1	ZINC001033656716	708426762	/nfs/dbraw/zinc/42/67/62/708426762.db2.gz	DFNUQGWXADQEBU-GOSISDBHSA-N	2	0	326.444	1.687	20	30		EDEDRP
C#CCC[N@H+]1CC[C@@H](N(C)C(=O)CN2CCc3sccc3C2)C1	ZINC001033685201	708498788	/nfs/dbraw/zinc/49/87/88/708498788.db2.gz	PBKMAINUKURSBC-MRXNPFEDSA-N	2	0	331.485	1.662	20	30		EDEDRP
C#CCN(C(=O)NCC[C@@H](C)[NH+]1CCCCC1)C1CC[NH+](C)CC1	ZINC000921938629	709087641	/nfs/dbraw/zinc/08/76/41/709087641.db2.gz	NJTWSDGRNFHNQD-QGZVFWFLSA-N	2	0	334.508	1.990	20	30		EDEDRP
C=C(C)C[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1	ZINC001034319533	709768990	/nfs/dbraw/zinc/76/89/90/709768990.db2.gz	IKHLOMXNQIQJAQ-VIHIWDAPSA-N	2	0	333.476	1.396	20	30		EDEDRP
C#CCN1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CC[C@H]2CCCCO2)C1	ZINC001032837120	710187200	/nfs/dbraw/zinc/18/72/00/710187200.db2.gz	BPDUBVNSUIUOAY-KURKYZTESA-N	2	0	333.476	1.234	20	30		EDEDRP
C#CCC[NH+]1CCC(NC(=O)[C@]2([NH+](C)C)CCc3ccccc32)CC1	ZINC000369758373	250203923	/nfs/dbraw/zinc/20/39/23/250203923.db2.gz	WVUZTIVWWFTPKY-NRFANRHFSA-N	2	0	339.483	1.994	20	30		EDEDRP
C=CC[NH+]1CCC(NC(=O)NCCC[NH2+]Cc2cccnc2)CC1	ZINC000417520759	251182737	/nfs/dbraw/zinc/18/27/37/251182737.db2.gz	CRWNYBJBZWFYSO-UHFFFAOYSA-N	2	0	331.464	1.511	20	30		EDEDRP
N#Cc1ccc(C[N@H+]2CCCN(C(=O)N[C@H](C[NH3+])C3CC3)CC2)cc1	ZINC000418405377	251365553	/nfs/dbraw/zinc/36/55/53/251365553.db2.gz	RAYBOGFLFMNAQS-GOSISDBHSA-N	2	0	341.459	1.513	20	30		EDEDRP
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NCC1([NH3+])CCC1	ZINC000418532709	251378061	/nfs/dbraw/zinc/37/80/61/251378061.db2.gz	ZUEFUGKSDSQNLV-UHFFFAOYSA-N	2	0	329.448	1.513	20	30		EDEDRP
N#CCCC[C@H]([NH3+])C(=O)N[C@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1	ZINC000424149198	252145798	/nfs/dbraw/zinc/14/57/98/252145798.db2.gz	BMZRJDXJMJEQNB-KCXAZCMYSA-N	2	0	336.386	1.548	20	30		EDEDRP
CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccccc1OCC[NH+](C)C	ZINC000264079869	285253781	/nfs/dbraw/zinc/25/37/81/285253781.db2.gz	GYRDWJVHUFHICW-QGZVFWFLSA-N	3	0	347.507	1.516	20	30		EDEDRP
C#CC[N@H+](C)CCCNC(=O)N1CCN(c2cnccc2C)CC1	ZINC000491699628	255142793	/nfs/dbraw/zinc/14/27/93/255142793.db2.gz	CBDDYOSUUGPGDN-UHFFFAOYSA-N	2	0	329.448	1.177	20	30		EDEDRP
C[NH+](C)CCC1CC[NH+](C[C@@H](O)COc2ccccc2C#N)CC1	ZINC000528351938	305870367	/nfs/dbraw/zinc/87/03/67/305870367.db2.gz	JVVSBUZMPJUUJX-GOSISDBHSA-N	2	0	331.460	1.962	20	30		EDEDRP
C[C@H](C[NH2+][C@@H]1CCC[C@@H]2O[C@H](CC#N)C[C@H]21)CN1CC[NH+](C)CC1	ZINC000378455285	447430714	/nfs/dbraw/zinc/43/07/14/447430714.db2.gz	RPKTWKJRMUXXPH-FQBWVUSXSA-N	2	0	334.508	1.699	20	30		EDEDRP
C[C@@H](CNC(=[NH2+])N[C@@H]1CCOc2ccccc21)N1CC[NH+](C)CC1	ZINC000083034576	441348484	/nfs/dbraw/zinc/34/84/84/441348484.db2.gz	GSNAYIJFHFOMPA-GOEBONIOSA-N	2	0	331.464	1.050	20	30		EDEDRP
C#CCOc1ccc(C[NH+]2CCC(C(=O)NCC[NH+](C)C)CC2)cc1	ZINC000092615743	441813422	/nfs/dbraw/zinc/81/34/22/441813422.db2.gz	QGRCYHAZJCFRQB-UHFFFAOYSA-N	2	0	343.471	1.588	20	30		EDEDRP
CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Cc1ccc(C#N)cc1	ZINC000194873581	442963914	/nfs/dbraw/zinc/96/39/14/442963914.db2.gz	DYXBTGCUXUQACD-LJQANCHMSA-N	2	0	342.487	1.975	20	30		EDEDRP
CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@]1(C)OCCc2sccc21	ZINC000262349568	443191321	/nfs/dbraw/zinc/19/13/21/443191321.db2.gz	YPGZDHHWOQSSLM-SUMWQHHRSA-N	2	0	336.505	1.925	20	30		EDEDRP
C[NH+]=C(NC[C@H]1C[NH+]2CCN1CC2)N[C@@H](C)c1cc2ccccc2o1	ZINC000262824527	443213966	/nfs/dbraw/zinc/21/39/66/443213966.db2.gz	ZKPBCWXFOYQTDG-HOCLYGCPSA-N	2	0	341.459	1.659	20	30		EDEDRP
CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](c1cccc(F)c1)N(C)C	ZINC000264137731	443252984	/nfs/dbraw/zinc/25/29/84/443252984.db2.gz	VTCWJVMKIZQWRM-SJORKVTESA-N	2	0	335.471	1.817	20	30		EDEDRP
CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ncnn1-c1ccccc1	ZINC000278639506	443387307	/nfs/dbraw/zinc/38/73/07/443387307.db2.gz	ZAOZWAWJJQYZFW-OAHLLOKOSA-N	2	0	327.436	1.156	20	30		EDEDRP
C[C@@H](C(=O)N(C)CCC#N)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1	ZINC000280555438	443736471	/nfs/dbraw/zinc/73/64/71/443736471.db2.gz	UPJDXGRVGCEHHT-YTQUADARSA-N	2	0	340.471	1.811	20	30		EDEDRP
CCN1CCO[C@@H](CNC(=[NH2+])N[C@H](C)COC)[C@@H]1c1ccccc1	ZINC000284976030	443805037	/nfs/dbraw/zinc/80/50/37/443805037.db2.gz	GLAGSPCRCYWUFY-PVAVHDDUSA-N	2	0	334.464	1.388	20	30		EDEDRP
C#CC[N@H+](C)CCCNC(=O)NC1CC[NH+](Cc2ccccn2)CC1	ZINC000296132289	444207304	/nfs/dbraw/zinc/20/73/04/444207304.db2.gz	CDDQHVYVQOXUGX-UHFFFAOYSA-N	2	0	343.475	1.300	20	30		EDEDRP
CCOC(=O)N1CCC(NC(=[NH2+])NCC[NH+]2CCCCCC2)CC1	ZINC000303878084	444237846	/nfs/dbraw/zinc/23/78/46/444237846.db2.gz	FSMZTXXWMWJQET-UHFFFAOYSA-N	2	0	339.484	1.388	20	30		EDEDRP
C#CC[N@@H+](C)CCCNC(=O)N[C@@H](C[NH+](C)C)c1ccc(F)cc1	ZINC000297226893	444278143	/nfs/dbraw/zinc/27/81/43/444278143.db2.gz	FNPDSXVUJZXAKE-KRWDZBQOSA-N	2	0	334.439	1.683	20	30		EDEDRP
C=C(C)[C@@H](CC(=O)N(C)CC[N@H+](C)C1CCN(C)CC1)OCC	ZINC000339359008	445133718	/nfs/dbraw/zinc/13/37/18/445133718.db2.gz	BNJWCGVCRRLVEW-QGZVFWFLSA-N	2	0	325.497	1.842	20	30		EDEDRP
C#CCNC(=O)[C@H](C)N(C)C[C@@H]1CCC[N@@H+](CC)[C@H]1c1cnn(C)c1	ZINC000364702955	445947544	/nfs/dbraw/zinc/94/75/44/445947544.db2.gz	BDZOVTBRAGAKES-XYJFISCASA-N	2	0	345.491	1.263	20	30		EDEDRP
C=CCN(CC=C)C(=O)[C@@H](C)[N@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1	ZINC000367619827	446567847	/nfs/dbraw/zinc/56/78/47/446567847.db2.gz	WQBOUBHUQOCMHS-MJGOQNOKSA-N	2	0	348.535	1.676	20	30		EDEDRP
C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1	ZINC000418573846	446601168	/nfs/dbraw/zinc/60/11/68/446601168.db2.gz	LRFKQHJXIQDCIR-QAPCUYQASA-N	2	0	343.475	1.629	20	30		EDEDRP
C[C@@H]([NH2+]C[C@@H](O)COc1ccc(CC#N)cc1)C1=CC[N@H+](C)CC1	ZINC000570274287	447973668	/nfs/dbraw/zinc/97/36/68/447973668.db2.gz	IXPWIEONFPLHRP-CRAIPNDOSA-N	2	0	329.444	1.732	20	30		EDEDRP
CN(Cc1ccc(C#N)cc1)CN1C[C@]2(C[NH+]3CCC2CC3)OC1=O	ZINC000496963055	448076381	/nfs/dbraw/zinc/07/63/81/448076381.db2.gz	NXDDMEDKAVDMEU-IBGZPJMESA-N	2	0	340.427	1.864	20	30		EDEDRP
C[N@@H+]1CCC[C@H](CC[NH2+]C[C@H](O)COc2ccc(CC#N)cc2)C1	ZINC000572028566	448266742	/nfs/dbraw/zinc/26/67/42/448266742.db2.gz	CMGCQXSJXZYXST-MSOLQXFVSA-N	2	0	331.460	1.814	20	30		EDEDRP
C[NH+]1CCN(Cc2ccc(C[NH2+]C[C@H](O)CC3(C#N)CC3)cc2)CC1	ZINC000600717349	449514195	/nfs/dbraw/zinc/51/41/95/449514195.db2.gz	KJXITHGEMMMSRS-LJQANCHMSA-N	2	0	342.487	1.578	20	30		EDEDRP
C[C@@H](CC1(C#N)CCOCC1)[NH2+]CC1CC[NH+](CCN(C)C)CC1	ZINC000602545845	449665672	/nfs/dbraw/zinc/66/56/72/449665672.db2.gz	QLCUCMPWWHADDV-KRWDZBQOSA-N	2	0	336.524	1.949	20	30		EDEDRP
C[NH+]=C(NCc1ccoc1)NCc1ccnc(N2CC[NH+](C)CC2)c1	ZINC000176329687	526387396	/nfs/dbraw/zinc/38/73/96/526387396.db2.gz	NQGGZJBYMNDJKD-UHFFFAOYSA-N	2	0	342.447	1.292	20	30		EDEDRP
CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCN1CCc2ccccc2C1	ZINC000104167235	529071466	/nfs/dbraw/zinc/07/14/66/529071466.db2.gz	HYMHTNKOZQEZNY-GOSISDBHSA-N	2	0	329.492	1.433	20	30		EDEDRP
C=C(C[NH+](C)C)C(=O)NCc1ccccc1C[NH+]1CCC(O)CC1	ZINC000764588423	580124207	/nfs/dbraw/zinc/12/42/07/580124207.db2.gz	WNBVBNDHAQOYRW-UHFFFAOYSA-N	2	0	331.460	1.377	20	30		EDEDRP
C[NH+]1CCN(c2ccc(C=NNC3=[NH+][C@@H]4CCCC[C@H]4N3)cc2)CC1	ZINC000771557716	580288900	/nfs/dbraw/zinc/28/89/00/580288900.db2.gz	LOMVBJCVCHMDFO-QZTJIDSGSA-N	2	0	340.475	1.632	20	30		EDEDRP
C[NH+]1CC[C@H]1CNc1cc(NC[C@@H]2CC[N@H+]2C)c(C#N)cc1[N+](=O)[O-]	ZINC000895768268	591269023	/nfs/dbraw/zinc/26/90/23/591269023.db2.gz	BDXPCJARVPCWEB-KBPBESRZSA-N	2	0	344.419	1.698	20	30		EDEDRP
C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccccc2C[NH3+])CC1	ZINC000906649800	592234117	/nfs/dbraw/zinc/23/41/17/592234117.db2.gz	ASVYNNCVWPSODD-UHFFFAOYSA-N	2	0	330.432	1.241	20	30		EDEDRP
CC[NH+]1CCN(C[C@H](C)C[NH2+]C[C@H](O)c2ccc(C#N)cc2)CC1	ZINC000819058366	593736359	/nfs/dbraw/zinc/73/63/59/593736359.db2.gz	JGFJGSMFAHIWQD-APWZRJJASA-N	2	0	330.476	1.455	20	30		EDEDRP
CCN1CC[NH+](CCCC[NH2+]C[C@H](O)c2ccc(C#N)cc2)CC1	ZINC000819063203	593736840	/nfs/dbraw/zinc/73/68/40/593736840.db2.gz	XLABOLOZCOFCHQ-IBGZPJMESA-N	2	0	330.476	1.599	20	30		EDEDRP
C[C@H](CNC(=O)C#CC1CC[NH2+]CC1)[N@@H+]1CCc2ccccc2C1	ZINC000852863535	595583991	/nfs/dbraw/zinc/58/39/91/595583991.db2.gz	PQFPFXLYVOBKNQ-MRXNPFEDSA-N	2	0	325.456	1.552	20	30		EDEDRP
C[N@H+](CCc1ccccc1)[C@H]1CCN(C(=O)C#CC2CC[NH2+]CC2)C1	ZINC000852907085	595609283	/nfs/dbraw/zinc/60/92/83/595609283.db2.gz	CRGOTIMDSRTZFZ-FQEVSTJZSA-N	2	0	339.483	1.765	20	30		EDEDRP
C=CCNC(=O)NC(=O)[C@H](C)[N@H+](C)Cc1ccc(C[NH+](C)C)cc1	ZINC000859214677	596006844	/nfs/dbraw/zinc/00/68/44/596006844.db2.gz	REUACFGMMOZGNO-AWEZNQCLSA-N	2	0	332.448	1.580	20	30		EDEDRP
CC[NH+]1CCC(CCNC(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)CC1	ZINC000876763939	597329167	/nfs/dbraw/zinc/32/91/67/597329167.db2.gz	RGSJQJCMRMJZTC-IBGZPJMESA-N	2	0	340.471	1.983	20	30		EDEDRP
C[C@@H]1C[C@H](O)C[NH+]1Cc1cc(C#N)cc(C[N@H+]2C[C@H](O)C[C@@H]2C)c1	ZINC000878318972	597594952	/nfs/dbraw/zinc/59/49/52/597594952.db2.gz	FYWLAPAREOVHQD-BZUPMSHVSA-N	2	0	329.444	1.468	20	30		EDEDRP
C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)C1	ZINC000884190009	598020555	/nfs/dbraw/zinc/02/05/55/598020555.db2.gz	SFYKZWLMNXXLAY-RWUQJRKBSA-N	2	0	332.492	1.610	20	30		EDEDRP
N#C[C@H]1C[NH2+]CC12CC(C(=O)N(CCC[NH3+])Cc1ccccc1)C2	ZINC000884275450	598051273	/nfs/dbraw/zinc/05/12/73/598051273.db2.gz	MMICRNOEMGQXAY-HFCFLWKCSA-N	2	0	326.444	1.503	20	30		EDEDRP
C#CCN(C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)C1CC[NH+](C)CC1	ZINC000920659411	697463083	/nfs/dbraw/zinc/46/30/83/697463083.db2.gz	LYHKKOZBIMRQNG-ZNXRZULTSA-N	2	0	332.492	1.741	20	30		EDEDRP
CCC[N@@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](Cc2ccc(C#N)cc2)C1	ZINC001031713641	697735714	/nfs/dbraw/zinc/73/57/14/697735714.db2.gz	DBKRNARELVKBBD-LJQANCHMSA-N	2	0	340.471	1.981	20	30		EDEDRP
C#CCN1CCC[C@H]1C(=O)NCC1CN(Cc2ccc(F)cc2)C1	ZINC001031740919	698312905	/nfs/dbraw/zinc/31/29/05/698312905.db2.gz	NSKNNHDKZLHIPQ-SFHVURJKSA-N	2	0	329.419	1.471	20	30		EDEDRP
C[C@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1[NH2+]Cc1ccc(C#N)cc1	ZINC000939063315	699118029	/nfs/dbraw/zinc/11/80/29/699118029.db2.gz	CXJJTBDJIWUPRJ-HNAYVOBHSA-N	2	0	340.471	1.837	20	30		EDEDRP
C=CCCN1CC[NH+](C2CCC(NC(=O)[C@H]3CC[N@@H+](C)C3)CC2)CC1	ZINC000996803154	703093335	/nfs/dbraw/zinc/09/33/35/703093335.db2.gz	PUQOWNIGVCIGDZ-VIQWUECVSA-N	2	0	348.535	1.559	20	30		EDEDRP
C=C(Cl)C[NH2+]C1CCN(C(=O)[C@H](C)C[NH+]2CCOCC2)CC1	ZINC000997308820	703566721	/nfs/dbraw/zinc/56/67/21/703566721.db2.gz	HXCOORKHACOTMW-CYBMUJFWSA-N	2	0	329.872	1.288	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)N2CCC([NH2+]Cc3ncc(C)o3)CC2)CC1	ZINC000997366180	703599759	/nfs/dbraw/zinc/59/97/59/703599759.db2.gz	ZAELWOJHHRCMNR-UHFFFAOYSA-N	2	0	344.459	1.409	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)NC2CC[NH+](C[C@H]3CC[C@H](C)O3)CC2)CC1	ZINC001004201919	703931964	/nfs/dbraw/zinc/93/19/64/703931964.db2.gz	SPTCSNGPYHEPBN-QFBILLFUSA-N	2	0	347.503	1.480	20	30		EDEDRP
C[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]Cc2ccc(C#N)cc2)C(C)(C)C1	ZINC000995551004	703955597	/nfs/dbraw/zinc/95/55/97/703955597.db2.gz	LLAULSZCKVPWRQ-ZWKOTPCHSA-N	2	0	340.471	1.979	20	30		EDEDRP
C=C(Br)C[NH2+][C@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1	ZINC000999349164	706861082	/nfs/dbraw/zinc/86/10/82/706861082.db2.gz	QWHONUGUOBSLTE-ZDUSSCGKSA-N	2	0	344.297	1.960	20	30		EDEDRP
CN(C(=O)C12CC[NH+](CC1)C2)C1CC([NH2+]Cc2ccccc2C#N)C1	ZINC000999709823	707303216	/nfs/dbraw/zinc/30/32/16/707303216.db2.gz	QGUZGBRGCVYOEP-UHFFFAOYSA-N	2	0	338.455	1.733	20	30		EDEDRP
C=CC[NH+]1CC[C@H](n2cc(CNC(=O)[C@H]3CCC[N@H+]3C(C)C)nn2)C1	ZINC000999989936	707665272	/nfs/dbraw/zinc/66/52/72/707665272.db2.gz	IHNBZQQLHBODMS-DLBZAZTESA-N	2	0	346.479	1.200	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3C[C@@H](CC)OC)CC1	ZINC001032800649	708083354	/nfs/dbraw/zinc/08/33/54/708083354.db2.gz	RQQYAZCFYCRSRL-OKZBNKHCSA-N	2	0	333.476	1.042	20	30		EDEDRP
CN(C(=O)C[NH+]1CCCC1)[C@@H]1CCN(Cc2ccc(C#N)cc2F)C1	ZINC001033657268	708428180	/nfs/dbraw/zinc/42/81/80/708428180.db2.gz	IMTORGHLAVXAIE-QGZVFWFLSA-N	2	0	344.434	1.826	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)N(C)[C@@H]2CC[N@H+](C[C@H]3CCCCO3)C2)CC1	ZINC001033684364	708497283	/nfs/dbraw/zinc/49/72/83/708497283.db2.gz	NOXRDKGVOZPVDZ-RTBURBONSA-N	2	0	347.503	1.433	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)N(C)[C@H]2CC[N@H+](CC[C@H]3CCOC3)C2)CC1	ZINC001033685475	708499345	/nfs/dbraw/zinc/49/93/45/708499345.db2.gz	UCVWOZFQHYYVBR-HKUYNNGSSA-N	2	0	347.503	1.291	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)NCC2CC[NH+](C[C@H](C)OC)CC2)CC1	ZINC001002144422	708657899	/nfs/dbraw/zinc/65/78/99/708657899.db2.gz	FPLQPSHSLMGDPU-INIZCTEOSA-N	2	0	335.492	1.195	20	30		EDEDRP
C#CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)CC1	ZINC001034741415	710938252	/nfs/dbraw/zinc/93/82/52/710938252.db2.gz	IIXRKTDHEVPVED-WTGUMLROSA-N	2	0	339.483	1.982	20	30		EDEDRP
C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1cc(F)ccc1C#N	ZINC001034881036	711280861	/nfs/dbraw/zinc/28/08/61/711280861.db2.gz	CRQIXROYTJPVEP-QZTJIDSGSA-N	2	0	344.434	1.872	20	30		EDEDRP
COc1ccc(N2CC[NH+](CCC[NH+]=C(N(C)C)N(C)C)CC2)cc1	ZINC000104157446	237057020	/nfs/dbraw/zinc/05/70/20/237057020.db2.gz	SWJZGSZMOHFQEZ-UHFFFAOYSA-N	2	0	347.507	1.687	20	30		EDEDRP
C[NH+]1CCN(C[C@H]2CCC[N@H+](CCOc3ccccc3C#N)C2)CC1	ZINC000367172762	154028655	/nfs/dbraw/zinc/02/86/55/154028655.db2.gz	ZMVWCCKMMOVWDJ-SFHVURJKSA-N	2	0	342.487	1.896	20	30		EDEDRP
CC[NH+](CC)CC1CC[NH+](CC(=O)N(CCC#N)CCC#N)CC1	ZINC000057847599	441138488	/nfs/dbraw/zinc/13/84/88/441138488.db2.gz	NDUGOJYWRJDCMM-UHFFFAOYSA-N	2	0	333.480	1.696	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)NC2CC[NH+](C3CCN(C)CC3)CC2)CC1	ZINC000050796868	441389400	/nfs/dbraw/zinc/38/94/00/441389400.db2.gz	MQSVHTOPYCEZIH-UHFFFAOYSA-N	2	0	346.519	1.006	20	30		EDEDRP
C=C(C)C[N@@H+](C)CC(=O)N1CCN(Cc2ccc3c(c2)CCO3)CC1	ZINC000181302920	442689033	/nfs/dbraw/zinc/68/90/33/442689033.db2.gz	CTWHAEDQBJSCCH-UHFFFAOYSA-N	2	0	343.471	1.774	20	30		EDEDRP
CN(CC[N@H+](C)C1CCN(C)CC1)CC(=O)Nc1ccc(C#N)cc1	ZINC000180947421	442670896	/nfs/dbraw/zinc/67/08/96/442670896.db2.gz	KIJXTBYLZFPRJK-UHFFFAOYSA-N	2	0	343.475	1.455	20	30		EDEDRP
C[NH+]=C(NCc1ccc(F)c(COC)c1)N1CC[C@H]([NH+]2CC=CC2)C1	ZINC000262793295	443212221	/nfs/dbraw/zinc/21/22/21/443212221.db2.gz	OXGMZLIAHGCHKQ-KRWDZBQOSA-N	2	0	346.450	1.994	20	30		EDEDRP
C[NH+]=C(NC[C@](C)(O)c1ccco1)N1CC[C@@H](C[NH+]2CCCC2)C1	ZINC000262828222	443213990	/nfs/dbraw/zinc/21/39/90/443213990.db2.gz	YVQFRHPJALIKKF-YJBOKZPZSA-N	2	0	334.464	1.480	20	30		EDEDRP
C[NH+](C)[C@@H]1CCN(c2ccc(C#N)c(N3CC[C@@H]([NH+](C)C)C3)n2)C1	ZINC000278479146	443343772	/nfs/dbraw/zinc/34/37/72/443343772.db2.gz	VDVKZTAIAVHLRD-HZPDHXFCSA-N	2	0	328.464	1.234	20	30		EDEDRP
COc1ccc(CCNC(=[NH2+])NCC2=CC[N@H+](C)CC2)cc1OC	ZINC000271863608	443515828	/nfs/dbraw/zinc/51/58/28/443515828.db2.gz	ZSGIDDFTQZJOPK-UHFFFAOYSA-N	2	0	332.448	1.413	20	30		EDEDRP
CC(C)CNC(=[NH2+])NCc1cccc(CNC(=[NH2+])NCC(C)C)c1	ZINC000274239867	443600090	/nfs/dbraw/zinc/60/00/90/443600090.db2.gz	VYIFKXYFTZXIPU-UHFFFAOYSA-N	2	0	332.496	1.807	20	30		EDEDRP
CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1cc(C)nc(N2CCCC2)c1	ZINC000290746247	444318451	/nfs/dbraw/zinc/31/84/51/444318451.db2.gz	XRZPWQJNHNVSET-QGZVFWFLSA-N	2	0	344.507	1.879	20	30		EDEDRP
CC[NH+]1CCC(NC(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)CC1	ZINC000330177230	444874654	/nfs/dbraw/zinc/87/46/54/444874654.db2.gz	KNSWQUMXAYKBOE-IAGOWNOFSA-N	2	0	338.496	1.352	20	30		EDEDRP
C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)[NH2+][C@@H]1CCC[C@H](C#N)C1	ZINC000361431112	445766790	/nfs/dbraw/zinc/76/67/90/445766790.db2.gz	BXCDZSQLEVQVCF-OTWHNJEPSA-N	2	0	342.487	1.947	20	30		EDEDRP
C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)[NH2+][C@H]1CCC[C@@H](C#N)C1	ZINC000361431114	445766864	/nfs/dbraw/zinc/76/68/64/445766864.db2.gz	BXCDZSQLEVQVCF-QYZOEREBSA-N	2	0	342.487	1.947	20	30		EDEDRP
C=CCN(C(=O)[C@@H]1CN(C)CCO1)[C@@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000369938706	446169459	/nfs/dbraw/zinc/16/94/59/446169459.db2.gz	ZQGCOPUQMZOLGN-MOPGFXCFSA-N	2	0	343.471	1.606	20	30		EDEDRP
C[C@H]1CC[NH2+]C[C@@H]1NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1	ZINC000418573847	446600549	/nfs/dbraw/zinc/60/05/49/446600549.db2.gz	LRFKQHJXIQDCIR-YJBOKZPZSA-N	2	0	343.475	1.629	20	30		EDEDRP
C=CCN(CC=C)C(=O)C[N@H+]1CCCN(C2CC[NH+](CC)CC2)CC1	ZINC000421009848	446984139	/nfs/dbraw/zinc/98/41/39/446984139.db2.gz	NWSCGENRUADWAR-UHFFFAOYSA-N	2	0	348.535	1.679	20	30		EDEDRP
CC[NH+](CC)[C@@H]1CCN(CC#CCN2CC[C@@H]([NH+](CC)CC)C2)C1	ZINC000429692703	447755481	/nfs/dbraw/zinc/75/54/81/447755481.db2.gz	VSETUJVKFRKABM-WOJBJXKFSA-N	2	0	334.552	1.822	20	30		EDEDRP
C#C[C@H](CCC)NC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1	ZINC000491275890	447979844	/nfs/dbraw/zinc/97/98/44/447979844.db2.gz	GKQODJLAYSAZSM-QGZVFWFLSA-N	2	0	343.475	1.695	20	30		EDEDRP
N#CCC[C@@H](C#N)C[NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1	ZINC000584405418	448514078	/nfs/dbraw/zinc/51/40/78/448514078.db2.gz	FWYUAQHIVFAAIJ-KRWDZBQOSA-N	2	0	341.463	1.412	20	30		EDEDRP
CCN(C[C@H](C)C#N)C(=O)CN1CCCN(c2cc[nH+]cc2)CC1	ZINC000602847127	449853793	/nfs/dbraw/zinc/85/37/93/449853793.db2.gz	SUQDHUCZQYJZQE-MRXNPFEDSA-N	2	0	329.448	1.602	20	30		EDEDRP
C=CC[C@@]1(C(=O)N2CCC(CC)([NH+]3CCOCC3)CC2)CCC[NH2+]1	ZINC000638730276	451669023	/nfs/dbraw/zinc/66/90/23/451669023.db2.gz	XTNLGZXVWIZMPX-IBGZPJMESA-N	2	0	335.492	1.788	20	30		EDEDRP
C=CC[C@]1(C(=O)NCC2([NH+]3CCCCC3)CCN(C)CC2)CCC[NH2+]1	ZINC000662756500	453493584	/nfs/dbraw/zinc/49/35/84/453493584.db2.gz	HPOIFXJNSOVCDR-HXUWFJFHSA-N	2	0	348.535	1.751	20	30		EDEDRP
C#Cc1ccc(C(=O)N(CC[NH+](C)C)C[C@@H]2CCC[N@H+]2CC)nc1	ZINC000728864287	578553348	/nfs/dbraw/zinc/55/33/48/578553348.db2.gz	GCIIWMMMERYXOR-KRWDZBQOSA-N	2	0	328.460	1.551	20	30		EDEDRP
N#CC1(CCCC[N@H+]2CC[C@H](N3C(=O)O[C@@H]4C[NH2+]C[C@@H]43)C2)CCC1	ZINC000903778576	592318947	/nfs/dbraw/zinc/31/89/47/592318947.db2.gz	OHCIZTYEHDROJY-HRCADAONSA-N	2	0	332.448	1.717	20	30		EDEDRP
CCOCCC[NH+]=C(NC[C@H]1CCC[N@@H+]1CCOC)NC(C)(C)C	ZINC000912498573	593100703	/nfs/dbraw/zinc/10/07/03/593100703.db2.gz	BHXCFYYKXMTDJY-MRXNPFEDSA-N	2	0	342.528	1.858	20	30		EDEDRP
C[C@@H]([NH2+]C1CC1)C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000846700823	595304130	/nfs/dbraw/zinc/30/41/30/595304130.db2.gz	ILMKLQXPKSFEAB-CQSZACIVSA-N	2	0	326.444	1.779	20	30		EDEDRP
C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)C#CC2CC[NH2+]CC2)C1	ZINC000852862647	595583311	/nfs/dbraw/zinc/58/33/11/595583311.db2.gz	ICTHLHHCZCALFB-APWZRJJASA-N	2	0	325.456	1.941	20	30		EDEDRP
N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N1C[C@@H]([NH3+])Cc2ccccc21	ZINC000867980665	596643557	/nfs/dbraw/zinc/64/35/57/596643557.db2.gz	WRSUEPCPCDZOJO-LPHOPBHVSA-N	2	0	332.407	1.662	20	30		EDEDRP
CCOC(=O)C1([C@@H](C)[NH2+][C@@H]2Cc3ccc(C#N)cc3C2)CC[NH2+]CC1	ZINC000873275363	597245702	/nfs/dbraw/zinc/24/57/02/597245702.db2.gz	KSUIBAPEHDPCBI-RDTXWAMCSA-N	2	0	341.455	1.936	20	30		EDEDRP
CC[NH+](CC)C[C@H]1CCN(C(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)C1	ZINC000876773659	597334416	/nfs/dbraw/zinc/33/44/16/597334416.db2.gz	UVRRKFIUDMBAEM-VQIMIIECSA-N	2	0	340.471	1.935	20	30		EDEDRP
C#CCN(C)CCC[NH2+]Cc1ccc(S(N)(=O)=O)c(Cl)c1	ZINC000883131014	597660771	/nfs/dbraw/zinc/66/07/71/597660771.db2.gz	BCIQWLGDGIJGOM-UHFFFAOYSA-N	2	0	329.853	1.032	20	30		EDEDRP
N#C[C@@H]1C[NH2+]CC12CC(C(=O)N1CCC[C@@H]([C@@H]3CCC[NH2+]C3)C1)C2	ZINC000884294485	598058161	/nfs/dbraw/zinc/05/81/61/598058161.db2.gz	CFGIXZRVQGBUJE-FOVNGAOHSA-N	2	0	330.476	1.364	20	30		EDEDRP
N#C[C@@H]1C[NH2+]CC12CC(C(=O)N1CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C1)C2	ZINC000884327920	598069149	/nfs/dbraw/zinc/06/91/49/598069149.db2.gz	FWSMJSMVDIWCNW-WSGFFYJVSA-N	2	0	342.487	1.601	20	30		EDEDRP
C=C(C)C[NH+]1CCC([C@@H](C)NC(=O)c2cnn(CC[NH+](C)C)c2)CC1	ZINC000997348777	703576657	/nfs/dbraw/zinc/57/66/57/703576657.db2.gz	RGPQTUAGEZBDRO-MRXNPFEDSA-N	2	0	347.507	1.851	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)NC2CC[NH+](C[C@H]3CCCOC3)CC2)CC1	ZINC001004208528	703969096	/nfs/dbraw/zinc/96/90/96/703969096.db2.gz	QRZJYJQRCSCPLB-QGZVFWFLSA-N	2	0	347.503	1.339	20	30		EDEDRP
C=C(Cl)CN1CCC([C@H](C)NC(=O)[C@H]2CN(CC)CCO2)CC1	ZINC000997872199	704777868	/nfs/dbraw/zinc/77/78/68/704777868.db2.gz	WECHTNKPULCSDE-GOEBONIOSA-N	2	0	343.899	1.676	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)N(CC)[C@@H]2CCC[N@H+](C[C@H](C)O)CC2)CC1	ZINC000998201507	705512848	/nfs/dbraw/zinc/51/28/48/705512848.db2.gz	ZCGZZSYFHDVACH-PKOBYXMFSA-N	2	0	349.519	1.415	20	30		EDEDRP
C=C(Br)C[NH2+]C1CC(N(C)C(=O)[C@H]2CC[N@H+](C)C2)C1	ZINC000999832182	707462461	/nfs/dbraw/zinc/46/24/61/707462461.db2.gz	PXEWQJRWVFMFQC-HIFPTAJRSA-N	2	0	330.270	1.426	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)N(C)[C@H]2CC[N@H+](C[C@@H]3CCCCO3)C2)CC1	ZINC001033684362	708496877	/nfs/dbraw/zinc/49/68/77/708496877.db2.gz	NOXRDKGVOZPVDZ-OALUTQOASA-N	2	0	347.503	1.433	20	30		EDEDRP
CC#CC[NH+]1CCC(NC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)CC1	ZINC001002845025	709456300	/nfs/dbraw/zinc/45/63/00/709456300.db2.gz	NLESZJQQOYJGJL-MOPGFXCFSA-N	2	0	347.503	1.337	20	30		EDEDRP
C=C(Cl)C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CC1	ZINC001034653755	710328853	/nfs/dbraw/zinc/32/88/53/710328853.db2.gz	RILWIKMZRMGNFB-VGWMRTNUSA-N	2	0	341.883	1.619	20	30		EDEDRP
CN(C(=O)[C@@H]1CCC[N@@H+]1C)[C@H]1CCN(CC#Cc2ccc(F)cc2)C1	ZINC001032968634	711043401	/nfs/dbraw/zinc/04/34/01/711043401.db2.gz	SFTPBANEXCQSQD-OALUTQOASA-N	2	0	343.446	1.804	20	30		EDEDRP
C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(F)c(C#N)c1	ZINC001034881915	711282589	/nfs/dbraw/zinc/28/25/89/711282589.db2.gz	PMAASVHMXMRYHA-AEFFLSMTSA-N	2	0	344.434	1.872	20	30		EDEDRP
C#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCc4nccn43)CC[C@@H]2C1	ZINC000946623296	711922860	/nfs/dbraw/zinc/92/28/60/711922860.db2.gz	GKPVTBCIUDMICH-BBWFWOEESA-N	2	0	326.444	1.564	20	30		EDEDRP
CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC1=[NH+]CCCN1C	ZINC000263202271	249329515	/nfs/dbraw/zinc/32/95/15/249329515.db2.gz	XMJOKAPUBYFBOM-QZTJIDSGSA-N	2	0	330.476	1.805	20	30		EDEDRP
N#CCCC[C@H]([NH3+])C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1	ZINC000424134903	252136209	/nfs/dbraw/zinc/13/62/09/252136209.db2.gz	OJVJBVLQXKPTQF-KRWDZBQOSA-N	2	0	332.423	1.927	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)NCC2([NH+]3CCCC3)CCOCC2)CC1	ZINC000490614668	255094691	/nfs/dbraw/zinc/09/46/91/255094691.db2.gz	BGWQOZOXZVXKFR-UHFFFAOYSA-N	2	0	333.476	1.093	20	30		EDEDRP
C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)Cc1ccc(C#N)cc1	ZINC000299707076	266494403	/nfs/dbraw/zinc/49/44/03/266494403.db2.gz	ZPBORZZEAKXIQD-UHFFFAOYSA-N	2	0	330.476	1.833	20	30		EDEDRP
N#Cc1ccc(NCC[NH+]2CCCC2)nc1NCC[NH+]1CCCC1	ZINC000278169010	268155520	/nfs/dbraw/zinc/15/55/20/268155520.db2.gz	CLBBHISBHQWMQS-UHFFFAOYSA-N	2	0	328.464	1.969	20	30		EDEDRP
C[NH+](C)C/C=C/C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1	ZINC000378488592	447434536	/nfs/dbraw/zinc/43/45/36/447434536.db2.gz	AJWQZYSUSOHHAA-RMKNXTFCSA-N	2	0	326.444	1.779	20	30		EDEDRP
CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCC[C@@H]1c2ccccc2NC1=O	ZINC000170907438	442286392	/nfs/dbraw/zinc/28/63/92/442286392.db2.gz	KRWNALLYQCDZOK-DZGCQCFKSA-N	2	0	329.448	1.501	20	30		EDEDRP
CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCOc1ncccc1Cl	ZINC000268436495	442988721	/nfs/dbraw/zinc/98/87/21/442988721.db2.gz	KIEGCTPRJISIJD-GFCCVEGCSA-N	2	0	325.844	1.502	20	30		EDEDRP
CNC(=O)C(C)(C)CNC(=[NH+]C)N1CC[C@H](C)[C@H](n2ccnc2)C1	ZINC000261987884	443178213	/nfs/dbraw/zinc/17/82/13/443178213.db2.gz	QNXZGZOQASUFTD-UONOGXRCSA-N	2	0	334.468	1.114	20	30		EDEDRP
C[NH+]=C(NC[C@H](O)c1ccc(F)cc1)N1CC[C@@H]([NH+]2CC=CC2)C1	ZINC000262754198	443209787	/nfs/dbraw/zinc/20/97/87/443209787.db2.gz	AQMLJAPNPHZIOY-SJORKVTESA-N	2	0	332.423	1.381	20	30		EDEDRP
C[C@@H]1CCCC[N@@H+]1CCCNC(=[NH2+])N1CCN(c2ncccn2)CC1	ZINC000264057954	443247221	/nfs/dbraw/zinc/24/72/21/443247221.db2.gz	BOMNKOJAQGRHSL-MRXNPFEDSA-N	2	0	345.495	1.178	20	30		EDEDRP
CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1cnn(-c2ccccc2)c1	ZINC000264123008	443250632	/nfs/dbraw/zinc/25/06/32/443250632.db2.gz	RLYCNSGYDAOLMB-KRWDZBQOSA-N	2	0	326.448	1.761	20	30		EDEDRP
CC[NH+](CC)CCOc1ccc(CNC(=[NH2+])N[C@@H](C)COC)cc1	ZINC000264133480	443251862	/nfs/dbraw/zinc/25/18/62/443251862.db2.gz	YVHCCMUYAMETOH-HNNXBMFYSA-N	2	0	336.480	1.846	20	30		EDEDRP
CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccc(C#N)c(OC)c3)C2)CC1	ZINC000282490969	443354398	/nfs/dbraw/zinc/35/43/98/443354398.db2.gz	XMSUIFQPJBASJO-GOSISDBHSA-N	2	0	328.460	1.779	20	30		EDEDRP
[NH2+]=C(NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)NC1CCCCC1	ZINC000272999271	443514503	/nfs/dbraw/zinc/51/45/03/443514503.db2.gz	UJZCINWLUPWGHH-GOSISDBHSA-N	2	0	330.476	1.990	20	30		EDEDRP
CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(COCCOC)cc1	ZINC000290952088	443719960	/nfs/dbraw/zinc/71/99/60/443719960.db2.gz	MCMMQGSTVWYERH-GOSISDBHSA-N	2	0	348.491	1.738	20	30		EDEDRP
CC(C)(CNC(=[NH2+])N1CCN(c2ncccn2)CC1)C[NH+]1CCCC1	ZINC000276590098	443757652	/nfs/dbraw/zinc/75/76/52/443757652.db2.gz	GGEBEBBHOQXBIZ-UHFFFAOYSA-N	2	0	345.495	1.035	20	30		EDEDRP
C[NH+](C)CCCOc1cnccc1CNC(=[NH2+])Nc1ccccn1	ZINC000288789526	443983721	/nfs/dbraw/zinc/98/37/21/443983721.db2.gz	XOAHEQXYSPEQFK-UHFFFAOYSA-N	2	0	328.420	1.734	20	30		EDEDRP
NC(=NOC[C@H]1C[N@H+](Cc2ccccc2)CCCO1)[C@@H]1CCCO1	ZINC000289439431	444144857	/nfs/dbraw/zinc/14/48/57/444144857.db2.gz	TUAISZBONFCUMM-SJORKVTESA-N	2	0	333.432	1.745	20	30		EDEDRP
C#CC[N@@H+](C)CCCNC(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C	ZINC000297471185	444290107	/nfs/dbraw/zinc/29/01/07/444290107.db2.gz	UTPUIBYLDHERQP-SFHVURJKSA-N	2	0	330.476	1.414	20	30		EDEDRP
C[N@H+](CCNC(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)C1CC1	ZINC000329300018	444526725	/nfs/dbraw/zinc/52/67/25/444526725.db2.gz	VISXOZNPZVLVRU-SJORKVTESA-N	2	0	338.496	1.352	20	30		EDEDRP
CCOC1CC(CNC(=O)[C@@H]2CCC[N@@H+]2C)(N2CCOCC2)C1	ZINC000329897579	444757858	/nfs/dbraw/zinc/75/78/58/444757858.db2.gz	LLEPIJLHVPQUSE-CKDBGZEDSA-N	2	0	325.453	1.307	20	30		EDEDRP
C[NH+]1CC[C@]2(CCN(CC#CCN3CC[C@]4(CC[N@@H+](C)C4)C3)C2)C1	ZINC000366512256	446244398	/nfs/dbraw/zinc/24/43/98/446244398.db2.gz	AHLSMANGPXCZAF-PMACEKPBSA-N	2	0	330.520	1.045	20	30		EDEDRP
C[C@@H]1C[N@H+](C[C@@H](O)c2ccc(C#N)cc2)CCN1C1CC[NH+](C)CC1	ZINC000373529033	446249095	/nfs/dbraw/zinc/24/90/95/446249095.db2.gz	KRPSMUCVNBKZTQ-OXQOHEQNSA-N	2	0	342.487	1.692	20	30		EDEDRP
C[C@H]1CN(C(=O)c2cccc(C#N)c2)CCN1C1CC[NH+](C)CC1	ZINC000375783772	447044452	/nfs/dbraw/zinc/04/44/52/447044452.db2.gz	AESNYTPSFCRPCI-HNNXBMFYSA-N	2	0	326.444	1.799	20	30		EDEDRP
C(#CC[N@@H+]1CCC[C@@]2(CCOC2)C1)C[NH+]1CCC[C@@]2(CCOC2)C1	ZINC000451912359	447781550	/nfs/dbraw/zinc/78/15/50/447781550.db2.gz	SQJMQUMKXGXWFX-WOJBJXKFSA-N	2	0	332.488	1.995	20	30		EDEDRP
C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H](O)CN(C)CCC#N	ZINC000562989576	448278298	/nfs/dbraw/zinc/27/82/98/448278298.db2.gz	NMQUSJMHQISZBI-RLLQIKCJSA-N	2	0	344.503	1.693	20	30		EDEDRP
C[C@H]1CC[N@H+](CC(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)C1	ZINC000566435237	448469350	/nfs/dbraw/zinc/46/93/50/448469350.db2.gz	GWRWKGOFHAEWAL-INIZCTEOSA-N	2	0	328.460	1.790	20	30		EDEDRP
N#CCc1ccc(OC[C@H](O)C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1	ZINC000591726578	448474093	/nfs/dbraw/zinc/47/40/93/448474093.db2.gz	QJLNUZZHTRUKIG-OKZBNKHCSA-N	2	0	329.444	1.709	20	30		EDEDRP
N#Cc1ccccc1OC[C@@H](O)C[NH2+]CC1CC[NH+](C2CC2)CC1	ZINC000600736294	449524659	/nfs/dbraw/zinc/52/46/59/449524659.db2.gz	XJMNRIULSAIXAE-SFHVURJKSA-N	2	0	329.444	1.762	20	30		EDEDRP
C=CC[C@@]1(C(=O)N(C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)CCC[NH2+]1	ZINC000662900404	453593919	/nfs/dbraw/zinc/59/39/19/453593919.db2.gz	LLXWXNXOJJJLAB-MJGOQNOKSA-N	2	0	334.508	1.312	20	30		EDEDRP
C=CC[C@@H]1CCC[NH+](CC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)C1	ZINC000661376366	453802759	/nfs/dbraw/zinc/80/27/59/453802759.db2.gz	BFWNSJHDRCCECL-QZTJIDSGSA-N	2	0	337.508	1.748	20	30		EDEDRP
C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCO[C@@H]([C@H](C)[NH3+])C1)C(C)C	ZINC000669385714	486021535	/nfs/dbraw/zinc/02/15/35/486021535.db2.gz	PSTXFPGJPAKTCU-GVDBMIGSSA-N	2	0	338.496	1.443	20	30		EDEDRP
CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc(N2CCOCC2)cc1	ZINC000264067304	535597816	/nfs/dbraw/zinc/59/78/16/535597816.db2.gz	BWBIBRRXUSTKDG-SFHVURJKSA-N	2	0	345.491	1.412	20	30		EDEDRP
C#CCN1CCC[C@H]1C(=O)N1CCC(CCC[N@@H+](C)CCOC)CC1	ZINC000766548481	580169483	/nfs/dbraw/zinc/16/94/83/580169483.db2.gz	ZDKNUSPEXAFHDS-IBGZPJMESA-N	2	0	349.519	1.681	20	30		EDEDRP
C[C@H]1C[NH+]=C(NN=C2CC3(CC[NH+](C)CC3)Oc3ccccc32)N1	ZINC000779795012	580497456	/nfs/dbraw/zinc/49/74/56/580497456.db2.gz	OMWBTDAKNMBACJ-ZDUSSCGKSA-N	2	0	327.432	1.575	20	30		EDEDRP
C#CCOc1ccccc1NC(=O)N(CC[NH+](C)C)CC[NH+](C)C	ZINC000784462677	580621420	/nfs/dbraw/zinc/62/14/20/580621420.db2.gz	YYKWBUOFVRAOPX-UHFFFAOYSA-N	2	0	332.448	1.656	20	30		EDEDRP
C[C@H]1C[C@@H]([NH3+])CN1C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000892233158	590876862	/nfs/dbraw/zinc/87/68/62/590876862.db2.gz	SXNQLABRYXIQTG-WMLDXEAASA-N	2	0	341.459	1.654	20	30		EDEDRP
C=CC(C)(C)NC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1	ZINC000892531510	591061775	/nfs/dbraw/zinc/06/17/75/591061775.db2.gz	WVIIBPVAYLOAPM-UHFFFAOYSA-N	2	0	331.464	1.858	20	30		EDEDRP
C=CC[NH+]1CCC(NC(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)CC1	ZINC000891521546	591106404	/nfs/dbraw/zinc/10/64/04/591106404.db2.gz	IVWQGYPHWNVDQP-MRXNPFEDSA-N	2	0	336.480	1.095	20	30		EDEDRP
C=C(CC[NH+](C)C)C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1	ZINC000900366421	591997915	/nfs/dbraw/zinc/99/79/15/591997915.db2.gz	YMNFPGMVPZKEGT-UHFFFAOYSA-N	2	0	330.476	1.880	20	30		EDEDRP
N#Cc1ccc(N2CC[NH+](C[C@H]3C[C@@]4(CC[NH2+]C4)CO3)CC2)cc1	ZINC000903777506	592318961	/nfs/dbraw/zinc/31/89/61/592318961.db2.gz	BPITVWFKWLWINP-RTBURBONSA-N	2	0	326.444	1.449	20	30		EDEDRP
N#C[C@@H]1C[NH2+]CC12CC(c1nc([C@@H]3CN4CCC[C@@H]4CO3)no1)C2	ZINC000904098935	592425005	/nfs/dbraw/zinc/42/50/05/592425005.db2.gz	IVZHSQUCNKVDJB-JEFPAAPESA-N	2	0	329.404	1.212	20	30		EDEDRP
C=C(CC[NH+](C)C)C(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1	ZINC000907291417	592587218	/nfs/dbraw/zinc/58/72/18/592587218.db2.gz	IZQJJOOSAFSIPU-GOSISDBHSA-N	2	0	331.460	1.377	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)N2CCC(C[N@@H+](CCO)C(C)C)CC2)CC1	ZINC000910860250	592897683	/nfs/dbraw/zinc/89/76/83/592897683.db2.gz	HERCSCXZMRKRJS-UHFFFAOYSA-N	2	0	349.519	1.273	20	30		EDEDRP
C#CCN1CCC[C@H]1C(=O)NC[C@H](C)[N@@H+]1CCc2ccccc2C1	ZINC000730276855	593108514	/nfs/dbraw/zinc/10/85/14/593108514.db2.gz	DEZHHEQUIGWVJT-LPHOPBHVSA-N	2	0	325.456	1.647	20	30		EDEDRP
C=C(C[NH+](C)C)C(=O)NCc1ccc(OC2CC[NH+](C)CC2)cc1	ZINC000803664858	593351853	/nfs/dbraw/zinc/35/18/53/593351853.db2.gz	QBUWPTTZYZIHJZ-UHFFFAOYSA-N	2	0	331.460	1.894	20	30		EDEDRP
CC(=NNC(=S)NCCC[NH+](C)C)c1ccc(C[NH+](C)C)cc1	ZINC000814845459	593604740	/nfs/dbraw/zinc/60/47/40/593604740.db2.gz	MDQFJMFLXWDLSZ-UHFFFAOYSA-N	2	0	335.521	1.888	20	30		EDEDRP
N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1	ZINC000841070781	594847357	/nfs/dbraw/zinc/84/73/57/594847357.db2.gz	JKIGGLXFAFVLON-WMZOPIPTSA-N	2	0	341.459	1.948	20	30		EDEDRP
C[C@H](C[NH2+]Cc1ccc(O[C@@H](C)C#N)cc1)CN1CC[NH+](C)CC1	ZINC000105439001	595282661	/nfs/dbraw/zinc/28/26/61/595282661.db2.gz	ZKYAZOCWTCCTNP-SJORKVTESA-N	2	0	330.476	1.951	20	30		EDEDRP
C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)C#CC2CC[NH2+]CC2)C1	ZINC000852869337	595589103	/nfs/dbraw/zinc/58/91/03/595589103.db2.gz	CPBURWZVKUPJDM-LJQANCHMSA-N	2	0	325.456	1.722	20	30		EDEDRP
C[NH+]1CCN(c2ccc(NC(=O)C#CC3CC[NH2+]CC3)cc2)CC1	ZINC000852872244	595591290	/nfs/dbraw/zinc/59/12/90/595591290.db2.gz	JQUIANJHKDDHRO-UHFFFAOYSA-N	2	0	326.444	1.380	20	30		EDEDRP
CC(C)[NH+]1CCC(O)(C[NH2+]Cc2cc(C#N)ccc2N(C)C)CC1	ZINC000865491521	596590144	/nfs/dbraw/zinc/59/01/44/596590144.db2.gz	GPIIYPKQNWYOSF-UHFFFAOYSA-N	2	0	330.476	1.949	20	30		EDEDRP
C[C@@H]1CCCN(C(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)[C@@H]1CC[NH3+]	ZINC000867982563	596644213	/nfs/dbraw/zinc/64/42/13/596644213.db2.gz	SYETUCFKGAYMQF-XWIAVFTESA-N	2	0	326.444	1.721	20	30		EDEDRP
C[NH+](C)C[C@@H]1CN(c2ncc(C#N)cc2[N+](=O)[O-])C[C@H]1C[NH+](C)C	ZINC000866010824	596757011	/nfs/dbraw/zinc/75/70/11/596757011.db2.gz	OPWLLHGMPUKHMO-ZIAGYGMSSA-N	2	0	332.408	1.037	20	30		EDEDRP
N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)NC1CC[NH+](CC2CC2)CC1	ZINC000876727330	597307985	/nfs/dbraw/zinc/30/79/85/597307985.db2.gz	JKSLYSNLHJBBNX-IBGZPJMESA-N	2	0	338.455	1.736	20	30		EDEDRP
C[NH+](C)[C@]1(CNC(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)CCSC1	ZINC000876727017	597308504	/nfs/dbraw/zinc/30/85/04/597308504.db2.gz	UFFSIVLEKITGCT-WMZOPIPTSA-N	2	0	344.484	1.299	20	30		EDEDRP
C[C@@H](CNC(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21)C[NH+]1CCCC1	ZINC000876729248	597309416	/nfs/dbraw/zinc/30/94/16/597309416.db2.gz	IQLGZAACMOMSLM-KSSFIOAISA-N	2	0	326.444	1.593	20	30		EDEDRP
C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N	ZINC000884196220	598023718	/nfs/dbraw/zinc/02/37/18/598023718.db2.gz	KVYBDYVNROPEJN-NRGCRIOASA-N	2	0	340.471	1.415	20	30		EDEDRP
CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)CC1	ZINC000884345561	598076282	/nfs/dbraw/zinc/07/62/82/598076282.db2.gz	IWMIDYWJVIIZTJ-BWRBCVJASA-N	2	0	330.476	1.362	20	30		EDEDRP
N#C[C@@H]1C[NH2+]CC12CC(C(=O)N1CCC([C@@H]3CCC[NH2+]C3)CC1)C2	ZINC000884394571	598091946	/nfs/dbraw/zinc/09/19/46/598091946.db2.gz	IYDLFLWUYCLYMV-FXQQTDPRSA-N	2	0	330.476	1.364	20	30		EDEDRP
CC#CC[N@@H+]1CCC[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@H]1C	ZINC000993992423	696484958	/nfs/dbraw/zinc/48/49/58/696484958.db2.gz	WMCAKDVEKPDWNO-NVXWUHKLSA-N	2	0	331.464	1.051	20	30		EDEDRP
N#Cc1cccc(CN2CC(CNC(=O)[C@H]3C[NH+]4CCC3CC4)C2)c1	ZINC001031675379	697484982	/nfs/dbraw/zinc/48/49/82/697484982.db2.gz	GKPSQOIDMGJBMT-IBGZPJMESA-N	2	0	338.455	1.448	20	30		EDEDRP
C=CCC[NH+]1CC(N2CCN(C(=O)[C@H]3CCC[N@H+]3C(C)C)CC2)C1	ZINC000941405086	701519342	/nfs/dbraw/zinc/51/93/42/701519342.db2.gz	ZQLVWICFOWXKGI-GOSISDBHSA-N	2	0	334.508	1.264	20	30		EDEDRP
C=C(Cl)C[NH2+][C@H]1CCCN(C(=O)c2ccn(CC[NH+](C)C)n2)C1	ZINC000999181787	706609138	/nfs/dbraw/zinc/60/91/38/706609138.db2.gz	MTKXEWFJIWREHN-AWEZNQCLSA-N	2	0	339.871	1.391	20	30		EDEDRP
C=C(Br)C[NH2+][C@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1(C)C	ZINC000996611009	702915977	/nfs/dbraw/zinc/91/59/77/702915977.db2.gz	LZBHOISUNOQYGC-STQMWFEESA-N	2	0	344.297	1.673	20	30		EDEDRP
C#CC[NH+]1CC[C@@H](CN(Cc2cccnc2)C(=O)[C@@H]2CC[N@@H+](C)C2)C1	ZINC000995266439	703182023	/nfs/dbraw/zinc/18/20/23/703182023.db2.gz	HMYIJKZVYXRZEU-RTBURBONSA-N	2	0	340.471	1.317	20	30		EDEDRP
CC[C@@H](C(=O)N1CCC([NH2+]Cc2cccc(C#N)c2)CC1)[NH+](C)C	ZINC000997010200	703270580	/nfs/dbraw/zinc/27/05/80/703270580.db2.gz	RIGPYHAFDAZLNF-SFHVURJKSA-N	2	0	328.460	1.979	20	30		EDEDRP
C#CCC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)CC1	ZINC000997228354	703503985	/nfs/dbraw/zinc/50/39/85/703503985.db2.gz	GTATWDYZCMFXQL-LOPSVYGOSA-N	2	0	345.487	1.090	20	30		EDEDRP
C#CC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)CC1	ZINC000997612639	703909907	/nfs/dbraw/zinc/90/99/07/703909907.db2.gz	ANCZIYDQHBEPMG-LPHOPBHVSA-N	2	0	347.503	1.480	20	30		EDEDRP
C[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]([NH2+]Cc2ccc(C#N)cc2)C(C)(C)C1	ZINC000995551003	703955210	/nfs/dbraw/zinc/95/52/10/703955210.db2.gz	LLAULSZCKVPWRQ-ROUUACIJSA-N	2	0	340.471	1.979	20	30		EDEDRP
C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+]4CCC[C@H]4CO3)CC[C@@H]2C1	ZINC000946597724	704293037	/nfs/dbraw/zinc/29/30/37/704293037.db2.gz	HSYNSECKIMGERI-ZSYWTGECSA-N	2	0	347.503	1.596	20	30		EDEDRP
C=CCC[N@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2CN(CC)CCO2)CC1	ZINC000998188835	705493650	/nfs/dbraw/zinc/49/36/50/705493650.db2.gz	KSHWEAVVYRCVAU-MSOLQXFVSA-N	2	0	337.508	1.986	20	30		EDEDRP
C#CCN1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2cccnc2)C1	ZINC000999394306	706888850	/nfs/dbraw/zinc/88/88/50/706888850.db2.gz	CGYPQNQNKZZVKC-MSOLQXFVSA-N	2	0	326.444	1.260	20	30		EDEDRP
C=C(C)CC[N@H+]1CCCC[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1	ZINC001034208350	709556920	/nfs/dbraw/zinc/55/69/20/709556920.db2.gz	CCCJZFXHTYGFRX-KRWDZBQOSA-N	2	0	347.507	1.995	20	30		EDEDRP
C[N@@H+]1CC[C@H](C(=O)N[C@H]2CCCC[NH+](Cc3cccc(C#N)c3)C2)C1	ZINC001034526585	710179017	/nfs/dbraw/zinc/17/90/17/710179017.db2.gz	ZNGCHPPBBLODJG-OALUTQOASA-N	2	0	340.471	1.981	20	30		EDEDRP
C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1cccc(C#N)c1	ZINC001034882366	711283145	/nfs/dbraw/zinc/28/31/45/711283145.db2.gz	VZRHVLLPUXMTMP-MSOLQXFVSA-N	2	0	326.444	1.733	20	30		EDEDRP
C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1cc(C#N)ccc1F	ZINC001034884735	711288398	/nfs/dbraw/zinc/28/83/98/711288398.db2.gz	LNLVHJGLCBQXKX-AEFFLSMTSA-N	2	0	344.434	1.872	20	30		EDEDRP
C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)C1CC[NH+](C)CC1	ZINC000081300851	217380365	/nfs/dbraw/zinc/38/03/65/217380365.db2.gz	QETQLHFCLJXYDI-UHFFFAOYSA-N	2	0	328.460	1.790	20	30		EDEDRP
COc1ccccc1CNC(=[NH2+])NCCCN1CCC[N@H+](C)CC1	ZINC000264078863	249332499	/nfs/dbraw/zinc/33/24/99/249332499.db2.gz	GSMDDJSRRMBIOE-UHFFFAOYSA-N	2	0	333.480	1.127	20	30		EDEDRP
N#CCCC[C@@H]([NH3+])C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1	ZINC000424144202	252141904	/nfs/dbraw/zinc/14/19/04/252141904.db2.gz	KSNSNDGWDARPHK-MRXNPFEDSA-N	2	0	336.480	1.406	20	30		EDEDRP
COc1ccc(CCNC(=[NH2+])NC[C@@H](C)[N@H+](C)C2CC2)cc1OC	ZINC000104192961	533478233	/nfs/dbraw/zinc/47/82/33/533478233.db2.gz	DOYCREODRGTLPW-CYBMUJFWSA-N	2	0	334.464	1.633	20	30		EDEDRP
CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cc(C#N)[nH]c1C	ZINC000448853362	279329451	/nfs/dbraw/zinc/32/94/51/279329451.db2.gz	OMMJMBRXEVCZNY-INIZCTEOSA-N	2	0	331.464	1.683	20	30		EDEDRP
C[C@@H](CNC(=[NH2+])N1CCN(C(=O)OC(C)(C)C)CC1)[N@H+](C)C1CC1	ZINC000104192987	441191163	/nfs/dbraw/zinc/19/11/63/441191163.db2.gz	JXDNSLRFRVCIOX-ZDUSSCGKSA-N	2	0	339.484	1.337	20	30		EDEDRP
C[NH+]=C(NCCN1CCc2sccc2C1)N(C)Cc1ccon1	ZINC000261721643	443166307	/nfs/dbraw/zinc/16/63/07/443166307.db2.gz	IMYPUKJKFSFYPM-UHFFFAOYSA-N	2	0	333.461	1.802	20	30		EDEDRP
CC[NH+]=C(NCCc1ccncc1C)N1CC[C@@H]([NH+]2CC=CC2)C1	ZINC000261629120	443161104	/nfs/dbraw/zinc/16/11/04/443161104.db2.gz	CGACNFZPZIUWJR-GOSISDBHSA-N	2	0	327.476	1.844	20	30		EDEDRP
C[NH+]=C(NC[C@]1(O)CCc2ccccc21)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C	ZINC000261659003	443162636	/nfs/dbraw/zinc/16/26/36/443162636.db2.gz	AMIGSADDHUKTRJ-BOUXLOLZSA-N	2	0	342.487	1.468	20	30		EDEDRP
C[NH+]=C(NC[C@@H](O)c1ccccc1F)N1CC[C@H](C[NH+]2CCCC2)C1	ZINC000262791748	443212698	/nfs/dbraw/zinc/21/26/98/443212698.db2.gz	OIECCKFRTSXIHW-CRAIPNDOSA-N	2	0	348.466	1.852	20	30		EDEDRP
C[NH+]=C(NC[C@H](O)c1cccc(F)c1)N1CC[C@H](C[NH+]2CCCC2)C1	ZINC000262803213	443213181	/nfs/dbraw/zinc/21/31/81/443213181.db2.gz	RQLIVUXHZHOKIV-QAPCUYQASA-N	2	0	348.466	1.852	20	30		EDEDRP
COc1cc(C[NH2+]C[C@@H](C(C)C)N2CC[NH+](C)CC2)ccc1C#N	ZINC000281845174	444021195	/nfs/dbraw/zinc/02/11/95/444021195.db2.gz	YRSIBLTYYQNJOY-SFHVURJKSA-N	2	0	330.476	1.928	20	30		EDEDRP
C#CC[N@@H+](C)CCCNC(=O)N[C@H](C[NH+](C)C)c1ccc(F)cc1	ZINC000297226899	444278174	/nfs/dbraw/zinc/27/81/74/444278174.db2.gz	FNPDSXVUJZXAKE-QGZVFWFLSA-N	2	0	334.439	1.683	20	30		EDEDRP
C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)N1CC[C@H]([NH+](C)C)C1	ZINC000331037073	444369076	/nfs/dbraw/zinc/36/90/76/444369076.db2.gz	AFGADQBSTSJIRY-AWEZNQCLSA-N	2	0	333.436	1.813	20	30		EDEDRP
N#Cc1cccc(C[N@H+]2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)c1	ZINC000325808322	444369517	/nfs/dbraw/zinc/36/95/17/444369517.db2.gz	OWSBAAKBNPENLZ-QZTJIDSGSA-N	2	0	326.444	1.638	20	30		EDEDRP
C[C@@H](C(=O)N(C)CCC#N)N(C)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1	ZINC000364703711	445946618	/nfs/dbraw/zinc/94/66/18/445946618.db2.gz	HDDNERPTLXIQQT-SZMVWBNQSA-N	2	0	343.475	1.767	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)N2CC[N@H+](C3CCOCC3)C[C@H]2C)CC1	ZINC000365340289	446157836	/nfs/dbraw/zinc/15/78/36/446157836.db2.gz	APPXYTIXGROPDK-MRXNPFEDSA-N	2	0	333.476	1.043	20	30		EDEDRP
CCCN1CC[NH+](C2CCN(CC(=O)NC3(C#N)CCC3)CC2)CC1	ZINC000376627891	446614454	/nfs/dbraw/zinc/61/44/54/446614454.db2.gz	PZGMWKSPPOFNRF-UHFFFAOYSA-N	2	0	347.507	1.041	20	30		EDEDRP
N#C[C@H]1CC[C@H]([NH2+]CCCC[NH+]2CCN(c3ncccn3)CC2)C1	ZINC000442785214	446967611	/nfs/dbraw/zinc/96/76/11/446967611.db2.gz	RADHDJCDYGHDDE-IRXDYDNUSA-N	2	0	328.464	1.661	20	30		EDEDRP
C=C[C@@H]1OCCC[C@H]1NC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C	ZINC000459049682	447553493	/nfs/dbraw/zinc/55/34/93/447553493.db2.gz	VXEMXNJVJHIYRC-SJORKVTESA-N	2	0	340.512	1.635	20	30		EDEDRP
C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1)C(C)C	ZINC000417056894	447731816	/nfs/dbraw/zinc/73/18/16/447731816.db2.gz	AHMTYUTUNTYLAC-FGTMMUONSA-N	2	0	334.508	1.936	20	30		EDEDRP
CC1(C)C[C@@H](O)CC[NH+](CC#CC[N@H+]2CC[C@H](O)CC(C)(C)C2)C1	ZINC000451807033	447754928	/nfs/dbraw/zinc/75/49/28/447754928.db2.gz	GFCQODKXOVCRIT-ROUUACIJSA-N	2	0	336.520	1.956	20	30		EDEDRP
COC[C@H](CCC[NH3+])[NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O	ZINC000423045918	447797169	/nfs/dbraw/zinc/79/71/69/447797169.db2.gz	SWEYTKIMLIUJGC-RDJZCZTQSA-N	2	0	330.432	1.397	20	30		EDEDRP
C#CCNC(=O)CC[NH2+]Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1	ZINC000491715789	448086842	/nfs/dbraw/zinc/08/68/42/448086842.db2.gz	LHSVPFJXQYXIJM-CALCHBBNSA-N	2	0	343.471	1.525	20	30		EDEDRP
C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H](O)CN(C)CCC#N	ZINC000562989575	448278001	/nfs/dbraw/zinc/27/80/01/448278001.db2.gz	NMQUSJMHQISZBI-MISYRCLQSA-N	2	0	344.503	1.693	20	30		EDEDRP
C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]C1CCN(Cc2cccc(C#N)c2)CC1	ZINC000593324023	449226978	/nfs/dbraw/zinc/22/69/78/449226978.db2.gz	VUOAZLWAQGPVHV-CWFSZBLJSA-N	2	0	342.487	1.865	20	30		EDEDRP
C[N@H+](CCc1ccccc1)[C@H]1CCN(C(=O)[C@H]([NH3+])CCCC#N)C1	ZINC000595949225	449275533	/nfs/dbraw/zinc/27/55/33/449275533.db2.gz	YMHJDYWVOTWMJH-ZWKOTPCHSA-N	2	0	328.460	1.783	20	30		EDEDRP
COc1cccc([C@H](CNC(=O)[C@H]([NH3+])CCCCC#N)[NH+](C)C)c1	ZINC000594446320	449524242	/nfs/dbraw/zinc/52/42/42/449524242.db2.gz	QLCVFVIAEYHZJD-SJORKVTESA-N	2	0	332.448	1.825	20	30		EDEDRP
C[NH2+]C[C@@H](C)NC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000595269970	449990361	/nfs/dbraw/zinc/99/03/61/449990361.db2.gz	ACQPJUIKQDUENT-CQSZACIVSA-N	2	0	329.448	1.430	20	30		EDEDRP
C[NH+]=C(NCCc1c(C)noc1C)N1CC[C@H](C[NH+]2CCCC2)C1	ZINC000131835658	526363177	/nfs/dbraw/zinc/36/31/77/526363177.db2.gz	AZFFZBQRCAJAJR-MRXNPFEDSA-N	2	0	333.480	1.827	20	30		EDEDRP
CC(C)CCNC(=[NH2+])NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1	ZINC000264073016	535385019	/nfs/dbraw/zinc/38/50/19/535385019.db2.gz	DRKYTJPIYVIOAY-UHFFFAOYSA-N	3	0	332.496	1.544	20	30		EDEDRP
N#Cc1ccc(NC(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)cc1	ZINC000905295116	592487325	/nfs/dbraw/zinc/48/73/25/592487325.db2.gz	OXJCQKZCXVNGIY-HDICACEKSA-N	2	0	339.443	1.991	20	30		EDEDRP
N#CCCC[C@H]([NH3+])C(=O)Nc1cccc(C(=O)OC[C@H]2CCC[NH2+]2)c1	ZINC000818539848	593704004	/nfs/dbraw/zinc/70/40/04/593704004.db2.gz	VXARCWCIHYENIU-CVEARBPZSA-N	2	0	344.415	1.555	20	30		EDEDRP
C#C[C@H](NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1ccc(F)cc1	ZINC000820490787	593823552	/nfs/dbraw/zinc/82/35/52/593823552.db2.gz	QPBVLYOEPMRDOO-KRWDZBQOSA-N	2	0	334.439	1.635	20	30		EDEDRP
C[NH+](C)C[C@@H]1CN(C(=O)C2(C#N)CCSCC2)C[C@H]1C[NH+](C)C	ZINC000827891954	594298693	/nfs/dbraw/zinc/29/86/93/594298693.db2.gz	DDBXMUUALRYGTL-HUUCEWRRSA-N	2	0	338.521	1.221	20	30		EDEDRP
O=C(C#CC1CC[NH2+]CC1)NC[C@@H](c1ccccc1)[NH+]1CCCC1	ZINC000852854402	595577079	/nfs/dbraw/zinc/57/70/79/595577079.db2.gz	HJNOXAHVEUXFND-IBGZPJMESA-N	2	0	325.456	1.943	20	30		EDEDRP
CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C#CC1CC[NH2+]CC1	ZINC000852868896	595588433	/nfs/dbraw/zinc/58/84/33/595588433.db2.gz	XLJGUWQDWIJKNO-FQEVSTJZSA-N	2	0	339.483	1.970	20	30		EDEDRP
C#CC[N@H+](C)CCCNC(=O)N1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1	ZINC000861634436	596053076	/nfs/dbraw/zinc/05/30/76/596053076.db2.gz	INCFBKWXWQFWHF-QWHCGFSZSA-N	2	0	334.386	1.110	20	30		EDEDRP
C#CC[N@H+](C)CCCNC(=O)NC[C@H]1CC[NH+]1Cc1ccccc1	ZINC000852360086	596136427	/nfs/dbraw/zinc/13/64/27/596136427.db2.gz	UAARFLISGXQVBO-GOSISDBHSA-N	2	0	328.460	1.515	20	30		EDEDRP
N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)N1CCc2ccccc2[C@H]1C[NH3+]	ZINC000867981625	596644079	/nfs/dbraw/zinc/64/40/79/596644079.db2.gz	VHCNPZYCFLOSHM-WOJBJXKFSA-N	2	0	346.434	1.830	20	30		EDEDRP
C=C(Cl)C[C@@H]([NH3+])C(=O)NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1	ZINC000876961721	597398206	/nfs/dbraw/zinc/39/82/06/597398206.db2.gz	WJLLAPQWHMFTLZ-HZPDHXFCSA-N	2	0	337.851	1.339	20	30		EDEDRP
C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1	ZINC000876964880	597399766	/nfs/dbraw/zinc/39/97/66/597399766.db2.gz	UKMDIEHKYJBYGU-QLFBSQMISA-N	2	0	325.815	1.857	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]([NH2+]C3CCOCC3)C2)CC1	ZINC000881469791	597629881	/nfs/dbraw/zinc/62/98/81/597629881.db2.gz	LZTQIAONJUAQAE-GOSISDBHSA-N	2	0	333.476	1.091	20	30		EDEDRP
C[NH+]1CCN(C2CC[NH+](CCOc3ccc(C#N)cc3)CC2)CC1	ZINC000879591107	597648088	/nfs/dbraw/zinc/64/80/88/597648088.db2.gz	JSCNHWCGNJKJCB-UHFFFAOYSA-N	2	0	328.460	1.649	20	30		EDEDRP
C#CCN(C(=O)NC[C@H](C)[N@@H+]1CCCC[C@H]1C)C1CC[NH+](C)CC1	ZINC000914074056	695068605	/nfs/dbraw/zinc/06/86/05/695068605.db2.gz	XKQFYZZVPNIKPZ-SJORKVTESA-N	2	0	334.508	1.988	20	30		EDEDRP
C#CCN(C(=O)N[C@H](C)C[N@@H+]1CCC[C@H](C)C1)C1CC[NH+](C)CC1	ZINC000914342034	695366889	/nfs/dbraw/zinc/36/68/89/695366889.db2.gz	VEYJJKXVTAPDIF-DLBZAZTESA-N	2	0	334.508	1.846	20	30		EDEDRP
C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@H](C)C1	ZINC000943518994	698434473	/nfs/dbraw/zinc/43/44/73/698434473.db2.gz	VFYZODYAXKPZLY-WBVHZDCISA-N	2	0	333.480	1.461	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H]([NH2+]CC3CCCC3)C2)CC1	ZINC000939808512	699957241	/nfs/dbraw/zinc/95/72/41/699957241.db2.gz	FALZEKHPSBTTQL-VQIMIIECSA-N	2	0	331.504	1.958	20	30		EDEDRP
C#CCN1CCC[C@H]1C(=O)N1CCC([NH2+]CC2CCOCC2)CC1	ZINC000996684181	702981892	/nfs/dbraw/zinc/98/18/92/702981892.db2.gz	GVRNPBMXUKPWKC-SFHVURJKSA-N	2	0	333.476	1.091	20	30		EDEDRP
C=CCN1CC[NH+](C2CCC(NC(=O)C[N@H+]3CCC[C@H]3C)CC2)CC1	ZINC000996789643	703082123	/nfs/dbraw/zinc/08/21/23/703082123.db2.gz	QLZOIQDSVIIEEO-LMDPOFIKSA-N	2	0	348.535	1.702	20	30		EDEDRP
C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]([NH2+]Cc2ccccc2C#N)C(C)(C)C1	ZINC000995553825	703965983	/nfs/dbraw/zinc/96/59/83/703965983.db2.gz	UGJGHKGCZSMGIS-QZTJIDSGSA-N	2	0	340.471	1.979	20	30		EDEDRP
C=CCC[N@H+]1CCC[C@]2(CCN(C(=O)COC3CC[NH+](C)CC3)C2)C1	ZINC001040474446	705533266	/nfs/dbraw/zinc/53/32/66/705533266.db2.gz	MVBMLGFACPDCST-FQEVSTJZSA-N	2	0	349.519	1.988	20	30		EDEDRP
C=C(Br)C[NH2+]C1CC(N(C)C(=O)[C@H]2CCC[N@@H+]2C)C1	ZINC000998557220	705996292	/nfs/dbraw/zinc/99/62/92/705996292.db2.gz	RTUQDSPDKIMPIZ-WXRRBKDZSA-N	2	0	330.270	1.568	20	30		EDEDRP
C[NH+](C)[C@@H](C(=O)N1CCC[C@@H]([NH2+]Cc2cccc(C#N)c2)C1)C1CC1	ZINC000999366990	706880913	/nfs/dbraw/zinc/88/09/13/706880913.db2.gz	DDTMTYWJKZRWMC-RTBURBONSA-N	2	0	340.471	1.979	20	30		EDEDRP
C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)CC3CC[NH+](C)CC3)CC[C@@H]2C1	ZINC000946808300	707505532	/nfs/dbraw/zinc/50/55/32/707505532.db2.gz	NJPRFZCWPMRONQ-KDURUIRLSA-N	2	0	331.504	1.912	20	30		EDEDRP
C=CC[NH+]1CC[C@H](n2cc(CNC(=O)[C@H]3CCC[N@H+]3CCC)nn2)C1	ZINC000999985687	707655789	/nfs/dbraw/zinc/65/57/89/707655789.db2.gz	DKAZMJULIZRVEH-DLBZAZTESA-N	2	0	346.479	1.202	20	30		EDEDRP
CC#CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1	ZINC001033439545	707868471	/nfs/dbraw/zinc/86/84/71/707868471.db2.gz	DVQFJYDVRDQJNF-AQNXPRMDSA-N	2	0	339.483	1.888	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)N(C)[C@H]2CC[N@@H+](C[C@@H](CC)OC)C2)CC1	ZINC001033686063	708500562	/nfs/dbraw/zinc/50/05/62/708500562.db2.gz	ZGNVQTGMYDFIHT-ZWKOTPCHSA-N	2	0	335.492	1.289	20	30		EDEDRP
C=C(C)CC[N@H+]1CC[C@H](N(CC)C(=O)c2cnn(CC[NH+](C)C)c2)C1	ZINC001033983133	709191764	/nfs/dbraw/zinc/19/17/64/709191764.db2.gz	NHXSGJFZAYOQNK-SFHVURJKSA-N	2	0	347.507	1.947	20	30		EDEDRP
C#CCN1CCC[C@H]1C(=O)NC1CC[NH+](C[C@H]2CCCCO2)CC1	ZINC001003056854	709906602	/nfs/dbraw/zinc/90/66/02/709906602.db2.gz	VAYZSRIOIRPBOZ-MSOLQXFVSA-N	2	0	333.476	1.234	20	30		EDEDRP
C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CCCC[NH+](Cc3ccc(C#N)cc3)C2)C1	ZINC001034523780	710171604	/nfs/dbraw/zinc/17/16/04/710171604.db2.gz	BVBGHKORUNJQNI-RBUKOAKNSA-N	2	0	340.471	1.981	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)N[C@H]2CC[C@H]([NH2+]C[C@H]3CCOC3)CC2)CC1	ZINC001034799470	711135927	/nfs/dbraw/zinc/13/59/27/711135927.db2.gz	QRHIRFDKIQUZAV-BHIYHBOVSA-N	2	0	347.503	1.385	20	30		EDEDRP
N#Cc1ccc(C[NH+]2CCC(NC(=O)C[NH+]3CCCC3)CC2)cc1	ZINC001004147553	711559283	/nfs/dbraw/zinc/55/92/83/711559283.db2.gz	KKZDLJFQFSZDQV-UHFFFAOYSA-N	2	0	326.444	1.735	20	30		EDEDRP
[NH2+]=C(NC[C@H]1C[NH+]2CCN1CC2)Nc1ccccc1OC(F)(F)F	ZINC000262858047	249324485	/nfs/dbraw/zinc/32/44/85/249324485.db2.gz	YLZIULZYIXTSLA-NSHDSACASA-N	2	0	343.353	1.312	20	30		EDEDRP
C[C@@H]1C[N@@H+](CC2CCN(C(=O)[C@@H]([NH3+])CCCC#N)CC2)C[C@H](C)O1	ZINC000424151076	252144955	/nfs/dbraw/zinc/14/49/55/252144955.db2.gz	GZWPGNVJSJKBBR-UXLLHSPISA-N	2	0	336.480	1.355	20	30		EDEDRP
N#CCCC[C@H]([NH3+])C(=O)NCC1([NH+]2CCSCC2)CCCCC1	ZINC000424150842	252145504	/nfs/dbraw/zinc/14/55/04/252145504.db2.gz	ZQKZGRVWEBAXTC-HNNXBMFYSA-N	2	0	338.521	1.875	20	30		EDEDRP
C[NH+]=C(NCCNc1cc[nH+]cc1)N1CC[C@@H](c2cnn(C)c2)C1	ZINC000262442854	533477487	/nfs/dbraw/zinc/47/74/87/533477487.db2.gz	HZYLPSJKRLIZBZ-CQSZACIVSA-N	2	0	327.436	1.292	20	30		EDEDRP
C[N@H+](C[C@@H](O)c1ccc(C#N)cc1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1	ZINC000378431941	158171544	/nfs/dbraw/zinc/17/15/44/158171544.db2.gz	PWUGHLITXWOSSM-WOJBJXKFSA-N	2	0	342.487	1.692	20	30		EDEDRP
C[NH+](C)CCN1CCC([NH2+][C@@H]2CCC[C@@H]3O[C@H](CC#N)C[C@@H]32)CC1	ZINC000373227341	289153944	/nfs/dbraw/zinc/15/39/44/289153944.db2.gz	JGTBYLHSUMSRGT-MKXGPGLRSA-N	2	0	334.508	1.842	20	30		EDEDRP
C[C@@H](CNC(=[NH2+])N[C@@H]1CCOc2ccccc21)C[NH+]1CCN(C)CC1	ZINC000083032489	441348276	/nfs/dbraw/zinc/34/82/76/441348276.db2.gz	MGQMURQSWQMSEI-DOTOQJQBSA-N	2	0	345.491	1.298	20	30		EDEDRP
C[NH+](C)CCC1CC[NH+](C[C@@H](O)COc2ccc(C#N)cc2)CC1	ZINC000056524376	441722090	/nfs/dbraw/zinc/72/20/90/441722090.db2.gz	MZKWVJGEKSNIPA-GOSISDBHSA-N	2	0	331.460	1.962	20	30		EDEDRP
CCOc1ccc(OCC)c(NC(=[NH2+])NC[C@@H]2C[NH+]3CCN2CC3)c1	ZINC000178991303	442547282	/nfs/dbraw/zinc/54/72/82/442547282.db2.gz	NPPZWPQOSJFIMU-CQSZACIVSA-N	2	0	347.463	1.210	20	30		EDEDRP
CC[NH+]=C(NCc1ccc2c(c1)OCO2)N[C@H]1C[N@@H+](C2CC2)C[C@@H]1C	ZINC000261953257	443175686	/nfs/dbraw/zinc/17/56/86/443175686.db2.gz	IANWEXROOCHJIU-BBRMVZONSA-N	2	0	344.459	1.953	20	30		EDEDRP
CC(C)C[N@@H+]1CCO[C@H](CNC(=[NH2+])N[C@@H]2CCOc3ccccc32)C1	ZINC000262486688	443197828	/nfs/dbraw/zinc/19/78/28/443197828.db2.gz	IQAISESQUGSENN-NVXWUHKLSA-N	2	0	346.475	1.771	20	30		EDEDRP
COc1ccc(CNC(=[NH2+])NC[C@H](C)C[NH+]2CCCC2)cc1OC	ZINC000264063903	443247332	/nfs/dbraw/zinc/24/73/32/443247332.db2.gz	AKNKEQDHYYORAR-AWEZNQCLSA-N	2	0	334.464	1.840	20	30		EDEDRP
N#CC1(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CCCC1	ZINC000338171630	444546020	/nfs/dbraw/zinc/54/60/20/444546020.db2.gz	MAHTTZJQUWECKB-UHFFFAOYSA-N	2	0	341.459	1.794	20	30		EDEDRP
C[C@H](O)C[NH+]1CCC(CN(C)C(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)CC1	ZINC000329756715	444704039	/nfs/dbraw/zinc/70/40/39/444704039.db2.gz	MLJBFCVEQIJOED-YQQAZPJKSA-N	2	0	340.512	1.408	20	30		EDEDRP
CCC[NH+]1CCC(NC(=O)N2CC[N@H+](C[C@H](C)O)[C@@H](C)C2)CC1	ZINC000330828620	445157171	/nfs/dbraw/zinc/15/71/71/445157171.db2.gz	GFWFBROQJJFREX-GJZGRUSLSA-N	2	0	326.485	1.162	20	30		EDEDRP
C=C(C)C[NH+]1CCC(NC(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1	ZINC000377564904	447208557	/nfs/dbraw/zinc/20/85/57/447208557.db2.gz	IZYMGOGZHGQZES-IAGOWNOFSA-N	2	0	336.480	1.189	20	30		EDEDRP
N#CCC[C@H](C#N)C[NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1	ZINC000577054532	448200289	/nfs/dbraw/zinc/20/02/89/448200289.db2.gz	BFMSBFALHOPPJA-QGZVFWFLSA-N	3	0	326.448	1.627	20	30		EDEDRP
C=CCOc1ccccc1C[NH2+]C[C@@H](O)CN1C[C@@H](C)O[C@@H](C)C1	ZINC000562994287	448279974	/nfs/dbraw/zinc/27/99/74/448279974.db2.gz	WUMBHWDIFTXGNZ-SOLBZPMBSA-N	2	0	334.460	1.811	20	30		EDEDRP
CC(C)(C#N)C[C@@H](O)C[NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1	ZINC000598723102	449564134	/nfs/dbraw/zinc/56/41/34/449564134.db2.gz	DUYVINVHMHHXPR-ZWKOTPCHSA-N	2	0	331.460	1.644	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)NCCC[N@@H+](C)Cc2ccccc2)CC1	ZINC000108713341	526923865	/nfs/dbraw/zinc/92/38/65/526923865.db2.gz	LWORRPFWXODRGR-UHFFFAOYSA-N	2	0	327.472	1.970	20	30		EDEDRP
CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCC[C@H]1c2ccccc2NC1=O	ZINC000245900904	535598088	/nfs/dbraw/zinc/59/80/88/535598088.db2.gz	KRWNALLYQCDZOK-ZFWWWQNUSA-N	2	0	329.448	1.501	20	30		EDEDRP
C#CCN1CCC[C@H]1C(=O)N(C)c1ccc(OCC[NH+](C)C)cc1	ZINC000732134630	578693020	/nfs/dbraw/zinc/69/30/20/578693020.db2.gz	DVCQTAUPFGIXBO-SFHVURJKSA-N	2	0	329.444	1.687	20	30		EDEDRP
CCOCCC[N@@H+]1CCC(=NNC2=[NH+][C@H]3CCCC[C@H]3N2)[C@@H](C)C1	ZINC000753933132	579891502	/nfs/dbraw/zinc/89/15/02/579891502.db2.gz	BMBCYKXHAVSQSC-BHYGNILZSA-N	2	0	335.496	1.971	20	30		EDEDRP
N#Cc1ccc([C@H](O)C[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)cc1	ZINC000819083968	593737897	/nfs/dbraw/zinc/73/78/97/593737897.db2.gz	IYEKUWZXXFNQDS-QFBILLFUSA-N	2	0	329.444	1.682	20	30		EDEDRP
C=CCOCCON=C(N)c1ccccc1C[NH+]1CCC(O)CC1	ZINC000842027499	595005304	/nfs/dbraw/zinc/00/53/04/595005304.db2.gz	APIPZQCBMVBDCA-UHFFFAOYSA-N	2	0	333.432	1.692	20	30		EDEDRP
O=C(C#CC1CC[NH2+]CC1)N1CC[NH2+]C[C@@H]1c1cccc(Cl)c1	ZINC000852878535	595594789	/nfs/dbraw/zinc/59/47/89/595594789.db2.gz	PTQXKQVPCOTCIY-QGZVFWFLSA-N	2	0	331.847	1.816	20	30		EDEDRP
C=CCC1(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)CCOCC1	ZINC000870017086	596709478	/nfs/dbraw/zinc/70/94/78/596709478.db2.gz	IERMQUBLUOZZBR-IAGOWNOFSA-N	2	0	337.508	1.557	20	30		EDEDRP
CN(C[C@H]1CCC[N@H+](C)C1)C(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21	ZINC000876728827	597309778	/nfs/dbraw/zinc/30/97/78/597309778.db2.gz	WZJVOPYQCOKNSC-YJBOKZPZSA-N	2	0	326.444	1.545	20	30		EDEDRP
CN(CC[NH+]1CCCCC1)C(=O)[C@H]1NCCc2cc(C#N)ccc21	ZINC000876951331	597394330	/nfs/dbraw/zinc/39/43/30/597394330.db2.gz	KIPCQLQOHSTICO-SFHVURJKSA-N	2	0	326.444	1.689	20	30		EDEDRP
C[NH+](C)[C@@H](CNC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N)c1ccc(F)cc1	ZINC000884188267	598020021	/nfs/dbraw/zinc/02/00/21/598020021.db2.gz	COKITXFEDHTQMU-QZDWLRDRSA-N	2	0	344.434	1.684	20	30		EDEDRP
N#C[C@H]1C[NH2+]CC12CC(C(=O)Nc1ccc3c(c1F)CC[NH2+]C3)C2	ZINC000884282592	598053793	/nfs/dbraw/zinc/05/37/93/598053793.db2.gz	LVMAICLCSAZKRN-XYEKJYRLSA-N	2	0	328.391	1.549	20	30		EDEDRP
C=CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)c3ccn(CC[NH+](C)C)n3)C[C@H]21	ZINC000992701270	695223539	/nfs/dbraw/zinc/22/35/39/695223539.db2.gz	RUDQQIVQPUTJNR-GVDBMIGSSA-N	2	0	345.491	1.461	20	30		EDEDRP
C=CCC[NH+]1CC(N2CCN(C(=O)C[NH+]3[C@@H](C)CC[C@@H]3C)CC2)C1	ZINC000941677088	701615758	/nfs/dbraw/zinc/61/57/58/701615758.db2.gz	KMKVXOOBCXEYMC-IRXDYDNUSA-N	2	0	334.508	1.264	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)N2C[C@H](C)[C@H]([NH2+]Cc3ccccn3)C2)CC1	ZINC000939810516	699958605	/nfs/dbraw/zinc/95/86/05/699958605.db2.gz	NBDAYPOJAQDIOB-QFBILLFUSA-N	2	0	340.471	1.363	20	30		EDEDRP
C=CCC[NH+]1CC(N2CCN(C(=O)[C@@H]3C[C@@H]4CCCC[N@@H+]4C3)CC2)C1	ZINC000941408753	701521442	/nfs/dbraw/zinc/52/14/42/701521442.db2.gz	RWWHMNWHUBWDLB-MSOLQXFVSA-N	2	0	346.519	1.265	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)NCC2CN(Cc3ccccc3F)C2)CC1	ZINC001032204993	701998426	/nfs/dbraw/zinc/99/84/26/701998426.db2.gz	LCTXVLHPYLYISP-UHFFFAOYSA-N	2	0	343.446	1.719	20	30		EDEDRP
C[N@@H+]1CC[C@@H](C(=O)NCC2C[NH+](Cc3ccc(OCC#N)cc3)C2)C1	ZINC001032182211	702189779	/nfs/dbraw/zinc/18/97/79/702189779.db2.gz	HHDDMIVOBVJSKX-QGZVFWFLSA-N	2	0	342.443	1.089	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)N2C[C@H]([NH2+]C[C@H]3CCOC3)C(C)(C)C2)CC1	ZINC000996672008	702972674	/nfs/dbraw/zinc/97/26/74/702972674.db2.gz	QCASXQJEOQOCNE-AEFFLSMTSA-N	2	0	347.503	1.195	20	30		EDEDRP
C[N@@H+]1CC[C@@H](C(=O)N2CCC([NH2+]Cc3ccc(F)c(C#N)c3)CC2)C1	ZINC000997300457	703543995	/nfs/dbraw/zinc/54/39/95/703543995.db2.gz	VGTPKXNSNNSRDD-OAHLLOKOSA-N	2	0	344.434	1.730	20	30		EDEDRP
C=CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+]4CCC[C@@H]4CO3)CC[C@@H]2C1	ZINC000946597685	704292448	/nfs/dbraw/zinc/29/24/48/704292448.db2.gz	GIRMKLKTDZJNNX-XMTFNYHQSA-N	2	0	333.476	1.206	20	30		EDEDRP
C=CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1COCCN1C1CCCC1	ZINC001032585426	705062326	/nfs/dbraw/zinc/06/23/26/705062326.db2.gz	IFTPUXCZVQAIQU-OKZBNKHCSA-N	2	0	333.476	1.491	20	30		EDEDRP
C=C(Cl)C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1	ZINC000999764461	707318933	/nfs/dbraw/zinc/31/89/33/707318933.db2.gz	KMNLTMDLNHEYHO-DGNOSDGRSA-N	2	0	339.867	1.183	20	30		EDEDRP
C#CC[N@@H+]1C[C@@H]2CCN(C(=O)c3occc3C[NH+](C)C)CC[C@@H]2C1	ZINC000946742968	707363489	/nfs/dbraw/zinc/36/34/89/707363489.db2.gz	KNIWKTJPEOOLCL-IYBDPMFKSA-N	2	0	329.444	1.758	20	30		EDEDRP
CC#CC[NH+]1CCC(N(C)C(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)CC1	ZINC001005496789	709230607	/nfs/dbraw/zinc/23/06/07/709230607.db2.gz	IKZLKUMLGYCARO-LJQANCHMSA-N	2	0	347.503	1.576	20	30		EDEDRP
C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1cc(C#N)ccc1F	ZINC001034884737	711288173	/nfs/dbraw/zinc/28/81/73/711288173.db2.gz	LNLVHJGLCBQXKX-SJLPKXTDSA-N	2	0	344.434	1.872	20	30		EDEDRP
COC[C@@H](C)NC(=[NH2+])NCCC[NH+]1CCN(c2cccc(C)c2)CC1	ZINC000264067081	249331131	/nfs/dbraw/zinc/33/11/31/249331131.db2.gz	BPQSTDCEDDBNNJ-QGZVFWFLSA-N	2	0	347.507	1.446	20	30		EDEDRP
C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+]CCC(=O)N(C)CCC#N	ZINC000372361361	250219770	/nfs/dbraw/zinc/21/97/70/250219770.db2.gz	YYQCIIOZUGSDIY-IXDOHACOSA-N	2	0	336.480	1.228	20	30		EDEDRP
C#CCNC(=O)CC[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1	ZINC000491071829	255118733	/nfs/dbraw/zinc/11/87/33/255118733.db2.gz	NKXKYFAJJQGDDZ-UHFFFAOYSA-N	2	0	329.444	1.390	20	30		EDEDRP
C#CCN(C)CCC[NH2+]C[C@@H](O)Cn1cnc2cc(C)c(C)cc21	ZINC000491677619	255139503	/nfs/dbraw/zinc/13/95/03/255139503.db2.gz	QXWCWLBJWMPEBC-QGZVFWFLSA-N	3	0	328.460	1.559	20	30		EDEDRP
CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1cccc(-c2n[nH]c(C)n2)c1	ZINC000134233206	442459371	/nfs/dbraw/zinc/45/93/71/442459371.db2.gz	YMAJJMMEXWFNEX-MRXNPFEDSA-N	2	0	341.463	1.669	20	30		EDEDRP
CC/[NH+]=C(/NCc1cn2ccsc2n1)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C	ZINC000261975443	443177373	/nfs/dbraw/zinc/17/73/73/443177373.db2.gz	NOYNXPIURONBFS-IUODEOHRSA-N	2	0	346.504	1.934	20	30		EDEDRP
C[NH+]=C(NCc1nc(C(F)(F)F)cs1)NC[C@@H]1CC[N@H+](C)C1	ZINC000262502261	443198624	/nfs/dbraw/zinc/19/86/24/443198624.db2.gz	KTEDTDMSDXDEEN-VIFPVBQESA-N	2	0	335.399	1.779	20	30		EDEDRP
CC[NH+]1CCN(Cc2ccccc2CNC(NC2CC2)=[NH+]C)CC1	ZINC000264024402	443245475	/nfs/dbraw/zinc/24/54/75/443245475.db2.gz	ASDHRUXNOQWRBH-UHFFFAOYSA-N	2	0	329.492	1.652	20	30		EDEDRP
CC(C)CNC(=[NH2+])NCCC[N@@H+]1CCN(C)C[C@H]1c1ccccc1	ZINC000264103804	443248660	/nfs/dbraw/zinc/24/86/60/443248660.db2.gz	OVSQQZDWYLLNBM-SFHVURJKSA-N	2	0	331.508	1.926	20	30		EDEDRP
C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(Cc2cc(C#N)n(C)c2)CC1	ZINC000191286067	443272143	/nfs/dbraw/zinc/27/21/43/443272143.db2.gz	POICXGZLOHQBMM-CALCHBBNSA-N	2	0	329.492	1.887	20	30		EDEDRP
C=CCC(F)(F)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1	ZINC000293326003	443984877	/nfs/dbraw/zinc/98/48/77/443984877.db2.gz	GFFKIRXZKCMWPE-UHFFFAOYSA-N	2	0	338.402	1.921	20	30		EDEDRP
CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1cccc(-c2nc[nH]n2)c1	ZINC000304751003	444252456	/nfs/dbraw/zinc/25/24/56/444252456.db2.gz	IVFZRYVUVZSBEM-HNNXBMFYSA-N	2	0	327.436	1.360	20	30		EDEDRP
C[C@H](O)[C@H]1C[C@@H](C)CC[NH+]1CC#CC[N@H+]1CC[C@@H](C)C[C@H]1[C@H](C)O	ZINC000342153837	444538257	/nfs/dbraw/zinc/53/82/57/444538257.db2.gz	CJUHZASVLZBAOR-APNJTCTJSA-N	2	0	336.520	1.952	20	30		EDEDRP
C=CC[NH+]1CCC(NC(=O)[C@@H](C(C)C)N2C[C@@H](C)O[C@@H](C)C2)CC1	ZINC000357814287	445583861	/nfs/dbraw/zinc/58/38/61/445583861.db2.gz	CADCVMBPIBDYAG-SOLBZPMBSA-N	2	0	337.508	1.887	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)N[C@H]2C[N@@H+](C)C[C@H]2c2ccccc2)CC1	ZINC000374314068	446362010	/nfs/dbraw/zinc/36/20/10/446362010.db2.gz	VXPNWARKLFPEET-OALUTQOASA-N	2	0	325.456	1.546	20	30		EDEDRP
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCC[NH2+]C1	ZINC000418392534	446526685	/nfs/dbraw/zinc/52/66/85/446526685.db2.gz	ZNGUEEHBHINJED-QGZVFWFLSA-N	2	0	329.448	1.383	20	30		EDEDRP
C[C@@H](C(=O)N(C)CCC#N)[NH+]1CCC2(C[C@H]2C[N@H+](C)C2CC2)CC1	ZINC000367309818	446535781	/nfs/dbraw/zinc/53/57/81/446535781.db2.gz	KYGHXLPUWHLENS-HOTGVXAUSA-N	2	0	332.492	1.943	20	30		EDEDRP
CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCC1(CC#N)CC1	ZINC000431206964	447793603	/nfs/dbraw/zinc/79/36/03/447793603.db2.gz	LWIYZZMYJMSWME-MRXNPFEDSA-N	2	0	335.496	1.738	20	30		EDEDRP
C#CC[N@@H+](C)CCCNC(=O)N[C@@H](C)[C@H]1CCC[NH+](C2CCC2)C1	ZINC000491742324	448097369	/nfs/dbraw/zinc/09/73/69/448097369.db2.gz	WRCBPIPCXTZFHQ-IRXDYDNUSA-N	2	0	334.508	1.894	20	30		EDEDRP
OC1([C@@H]2CCCC[NH+]2CC#CC[N@H+]2CCCC[C@H]2C2(O)CC2)CC1	ZINC000568601531	448893409	/nfs/dbraw/zinc/89/34/09/448893409.db2.gz	YWJMYJJKUNQQQY-ROUUACIJSA-N	2	0	332.488	1.749	20	30		EDEDRP
C=CC[NH+]1CCC(NC(=O)N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)CC1	ZINC000580053225	448938292	/nfs/dbraw/zinc/93/82/92/448938292.db2.gz	IUJLCSZQLVUTPV-ZWKOTPCHSA-N	2	0	328.460	1.692	20	30		EDEDRP
CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1	ZINC000599936251	449116009	/nfs/dbraw/zinc/11/60/09/449116009.db2.gz	NCPBBSAFOFAUHH-ZWKOTPCHSA-N	2	0	343.475	1.772	20	30		EDEDRP
N#CC1(C[C@@H](O)C[NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)CC1	ZINC000600727000	449520319	/nfs/dbraw/zinc/52/03/19/449520319.db2.gz	NSWCSLNKCVLJIP-LJQANCHMSA-N	2	0	343.471	1.788	20	30		EDEDRP
CC(C)(C#N)C[C@H](O)C[NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1	ZINC000598723101	449564025	/nfs/dbraw/zinc/56/40/25/449564025.db2.gz	DUYVINVHMHHXPR-ROUUACIJSA-N	2	0	331.460	1.644	20	30		EDEDRP
C=C[C@@H]1OCC[C@H]1NC(=O)N(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1	ZINC000656183676	452944981	/nfs/dbraw/zinc/94/49/81/452944981.db2.gz	NXKSPIOTMKMIQX-ZACQAIPSSA-N	2	0	336.480	1.140	20	30		EDEDRP
CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(-n2ccnc2)c(F)c1	ZINC000264106116	535549326	/nfs/dbraw/zinc/54/93/26/535549326.db2.gz	PLNYIZKZCICMHN-OAHLLOKOSA-N	2	0	344.438	1.900	20	30		EDEDRP
C#CCN1CCC[C@H]1C(=O)N1CCN(CCc2cccs2)CC1	ZINC000730280695	578639012	/nfs/dbraw/zinc/63/90/12/578639012.db2.gz	YQELDBPEIKPRNG-KRWDZBQOSA-N	2	0	331.485	1.532	20	30		EDEDRP
C[NH+]1CCC(C[NH2+]CC#Cc2ccccc2)(N2CCOCC2)CC1	ZINC000894894722	591462081	/nfs/dbraw/zinc/46/20/81/591462081.db2.gz	NGUQREZIUOSUHZ-UHFFFAOYSA-N	2	0	327.472	1.424	20	30		EDEDRP
N#Cc1ccc(N2CC[NH+](C[C@@H]3C[C@]4(CC[NH2+]C4)CO3)CC2)cc1	ZINC000903777500	592318907	/nfs/dbraw/zinc/31/89/07/592318907.db2.gz	BPITVWFKWLWINP-OALUTQOASA-N	2	0	326.444	1.449	20	30		EDEDRP
Cc1ccc([C@@H](CNC(=O)C#CC2CC[NH2+]CC2)[NH+]2CCCC2)o1	ZINC000852864569	595584872	/nfs/dbraw/zinc/58/48/72/595584872.db2.gz	AGHJGEYJWYTUAI-QGZVFWFLSA-N	2	0	329.444	1.844	20	30		EDEDRP
N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N[C@H](C[NH3+])C1CCCCC1	ZINC000867966386	596637557	/nfs/dbraw/zinc/63/75/57/596637557.db2.gz	PKFYPVLPPOYTBY-MSOLQXFVSA-N	2	0	326.444	1.769	20	30		EDEDRP
C=C[C@@H]1OCCC[C@H]1NC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1	ZINC000875642935	596930998	/nfs/dbraw/zinc/93/09/98/596930998.db2.gz	RCKZPXPCIBVXJZ-VQHPVUNQSA-N	2	0	338.496	1.101	20	30		EDEDRP
C[NH+](C)[C@H](CNC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N)C1CCCCC1	ZINC000884189187	598020577	/nfs/dbraw/zinc/02/05/77/598020577.db2.gz	YINJYWNQFKBTLF-DHADLLTHSA-N	2	0	332.492	1.752	20	30		EDEDRP
C#CCC[N@H+]1CCC[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@@H]1C	ZINC000993990096	696484068	/nfs/dbraw/zinc/48/40/68/696484068.db2.gz	QHYPNPFLSWLLGM-RDJZCZTQSA-N	2	0	331.464	1.051	20	30		EDEDRP
C#CC[NH+]1CCC(NC(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)CC1	ZINC000918861120	697217892	/nfs/dbraw/zinc/21/78/92/697217892.db2.gz	JKGAKHUVEILAHU-GOSISDBHSA-N	2	0	348.491	1.027	20	30		EDEDRP
C=CCC[NH+]1CC(N2CCN(C(=O)[C@H]3CCC[C@@H]4CCC[N@@H+]43)CC2)C1	ZINC000941602820	701593252	/nfs/dbraw/zinc/59/32/52/701593252.db2.gz	AGUBGXZHEAOWFO-IEBWSBKVSA-N	2	0	346.519	1.408	20	30		EDEDRP
C[C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1[NH2+]Cc1cc(C#N)ccc1F	ZINC000939753488	699903178	/nfs/dbraw/zinc/90/31/78/699903178.db2.gz	GCEPEOIGVTURBT-KSSFIOAISA-N	2	0	344.434	1.730	20	30		EDEDRP
C=CC[NH2+][C@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)CC1(C)C	ZINC000995891805	702190523	/nfs/dbraw/zinc/19/05/23/702190523.db2.gz	DKEAYBMECYTVIT-IRXDYDNUSA-N	2	0	335.492	1.642	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)NCC2C[NH+](CC3CC(F)(F)C3)C2)CC1	ZINC001032207481	702196633	/nfs/dbraw/zinc/19/66/33/702196633.db2.gz	SRZIHUXDWGLJMM-UHFFFAOYSA-N	2	0	339.430	1.425	20	30		EDEDRP
C=C(C)C[N@@H+]1CC[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@@H](C)C1	ZINC000942058646	702510184	/nfs/dbraw/zinc/51/01/84/702510184.db2.gz	ZRPYBKHMWATILL-JKSUJKDBSA-N	2	0	333.480	1.461	20	30		EDEDRP
C[NH+](C)[C@@H](C(=O)N1CCC([NH2+]Cc2ccc(C#N)cc2)CC1)C1CC1	ZINC000996674151	702969344	/nfs/dbraw/zinc/96/93/44/702969344.db2.gz	AKZAZVKOHHISBI-LJQANCHMSA-N	2	0	340.471	1.979	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)N2C[C@@H](C[NH2+]CC)[C@@H](C(F)(F)F)C2)CC1	ZINC000996861551	703144521	/nfs/dbraw/zinc/14/45/21/703144521.db2.gz	UTWCRKGIKMXUPU-CABCVRRESA-N	2	0	345.409	1.578	20	30		EDEDRP
N#Cc1cccc(C[NH2+]C2CCN(C(=O)C[NH+]3CCCC3)CC2)c1	ZINC000997307379	703565762	/nfs/dbraw/zinc/56/57/62/703565762.db2.gz	PHSWWMLAAJDXHW-UHFFFAOYSA-N	2	0	326.444	1.735	20	30		EDEDRP
C#CC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@@H]4CCCC[N@@H+]4C3)CC[C@@H]2C1	ZINC000946591510	704193482	/nfs/dbraw/zinc/19/34/82/704193482.db2.gz	WSBOCGYOJFLDHN-HCXYKTFWSA-N	2	0	329.488	1.664	20	30		EDEDRP
C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2ccc(C#N)cc2)C1	ZINC000998722057	706153491	/nfs/dbraw/zinc/15/34/91/706153491.db2.gz	NVSQBQMHZYITQN-ROUUACIJSA-N	2	0	326.444	1.733	20	30		EDEDRP
C=C(Br)C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1	ZINC000999512787	707011370	/nfs/dbraw/zinc/01/13/70/707011370.db2.gz	RELKQGRUUVHQIQ-KGLIPLIRSA-N	2	0	344.297	1.960	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)N(C)C2CC([NH2+]C[C@@H]3CCCCO3)C2)CC1	ZINC000999875909	707522516	/nfs/dbraw/zinc/52/25/16/707522516.db2.gz	DGWGNIGZRHOCGI-ACBHZAAOSA-N	2	0	347.503	1.480	20	30		EDEDRP
C[C@H]1CC[N@H+](CC(=O)NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1	ZINC001003626959	710457090	/nfs/dbraw/zinc/45/70/90/710457090.db2.gz	YLMDFQTXWQZGFQ-INIZCTEOSA-N	2	0	340.471	1.981	20	30		EDEDRP
COc1ccc(NC(=[NH2+])NC[C@@H](C)N2CC[NH+](C)CC2)cc1OC	ZINC000264106188	249335794	/nfs/dbraw/zinc/33/57/94/249335794.db2.gz	PRAUOHRBUAXPJJ-CYBMUJFWSA-N	2	0	335.452	1.066	20	30		EDEDRP
C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1	ZINC000375905647	250281950	/nfs/dbraw/zinc/28/19/50/250281950.db2.gz	NEDPEXPEHLUICV-RBUKOAKNSA-N	2	0	348.535	1.676	20	30		EDEDRP
C[C@H](CCC[NH3+])NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1	ZINC000418703550	251387911	/nfs/dbraw/zinc/38/79/11/251387911.db2.gz	LWLFLKPFMMHVHR-MRXNPFEDSA-N	2	0	343.475	1.903	20	30		EDEDRP
CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@H]([NH3+])CCCC#N	ZINC000424141708	252139287	/nfs/dbraw/zinc/13/92/87/252139287.db2.gz	HOXTTYFQXPRYGW-MSOLQXFVSA-N	2	0	328.460	1.988	20	30		EDEDRP
N#Cc1ncn(CC[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)n1	ZINC000367520759	154159596	/nfs/dbraw/zinc/15/95/96/154159596.db2.gz	YPDGBIDJCFHKBV-RCCFBDPRSA-N	2	0	336.443	1.650	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)N[C@H](C)C2([NH+]3CCOCC3)CCCC2)CC1	ZINC000081740785	441307051	/nfs/dbraw/zinc/30/70/51/441307051.db2.gz	QYDWZOSBFCGQBS-QGZVFWFLSA-N	2	0	347.503	1.481	20	30		EDEDRP
C[NH+]=C(NC[C@@H]1C[N@H+](C)CCN1C)N(C)Cc1ccc(Cl)cc1	ZINC000088751384	441518932	/nfs/dbraw/zinc/51/89/32/441518932.db2.gz	ZLNWYKJMEWGUAX-MRXNPFEDSA-N	2	0	337.899	1.593	20	30		EDEDRP
C[NH+]=C(NC[C@@H]1CCC[N@@H+]1C)N[C@@H]1CCN(c2cccc(OC)c2)C1	ZINC000262831705	443213803	/nfs/dbraw/zinc/21/38/03/443213803.db2.gz	VBKFMOFDDPKSKQ-WBVHZDCISA-N	2	0	345.491	1.533	20	30		EDEDRP
COc1ccc(N2CC[NH+](CCCNC(=[NH2+])N(C)C3CC3)CC2)cc1	ZINC000272885747	443479798	/nfs/dbraw/zinc/47/97/98/443479798.db2.gz	ANLOYLMKTSABPE-UHFFFAOYSA-N	2	0	345.491	1.616	20	30		EDEDRP
CC[NH+]1CCN(c2ccc(CNC(=[NH2+])NCCOC)cc2F)CC1	ZINC000267462444	443466210	/nfs/dbraw/zinc/46/62/10/443466210.db2.gz	VNGUICDLXLJKCN-UHFFFAOYSA-N	2	0	337.443	1.018	20	30		EDEDRP
CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccnc(OC(F)F)c1	ZINC000284182844	443768769	/nfs/dbraw/zinc/76/87/69/443768769.db2.gz	XSZULPZOTNALGC-LBPRGKRZSA-N	2	0	327.379	1.572	20	30		EDEDRP
COc1ccccc1CNC(=[NH2+])NCCC[N@@H+]1CCCO[C@H](C)C1	ZINC000277487988	443992913	/nfs/dbraw/zinc/99/29/13/443992913.db2.gz	UUJVQCOTNSOWAO-OAHLLOKOSA-N	2	0	334.464	1.600	20	30		EDEDRP
C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+](C)CCCN(C)CC[NH+](C)C	ZINC000289483922	444155819	/nfs/dbraw/zinc/15/58/19/444155819.db2.gz	SAOAXYQFSLGNQS-INIZCTEOSA-N	2	0	345.491	1.701	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)CC1	ZINC000305100228	444257640	/nfs/dbraw/zinc/25/76/40/444257640.db2.gz	BEJXLKBFVROPAI-RBUKOAKNSA-N	2	0	347.503	1.216	20	30		EDEDRP
CCN(C[C@@H](C)C#N)C(=O)C[N@H+](C)CC1CC[NH+](C[C@H](C)O)CC1	ZINC000303239382	444235267	/nfs/dbraw/zinc/23/52/67/444235267.db2.gz	AEUYBOPLGPEXKA-HOTGVXAUSA-N	2	0	338.496	1.019	20	30		EDEDRP
C#CC[N@H+](C)CCCNC(=O)NCCC[NH+](C)Cc1ccccc1	ZINC000297465948	444289211	/nfs/dbraw/zinc/28/92/11/444289211.db2.gz	NKZAMBUMRBFZHS-UHFFFAOYSA-N	2	0	330.476	1.763	20	30		EDEDRP
N#Cc1ccc([C@@H]([NH2+]CC2CCN(c3cc[nH+]cc3)CC2)C(N)=O)cc1	ZINC000357073985	445408845	/nfs/dbraw/zinc/40/88/45/445408845.db2.gz	LZWKHGCQMUDQPL-LJQANCHMSA-N	2	0	349.438	1.986	20	30		EDEDRP
C[C@H]1C[N@H+](CCCNCc2cnc3ccc(C#N)cn23)CCCO1	ZINC000432361531	446462165	/nfs/dbraw/zinc/46/21/65/446462165.db2.gz	YMTATICLKYCPHR-HNNXBMFYSA-N	2	0	327.432	1.796	20	30		EDEDRP
CC(C)[NH+]1CCN(C2CC[NH+](CCC(=O)N(C)CCC#N)CC2)CC1	ZINC000367510886	446556965	/nfs/dbraw/zinc/55/69/65/446556965.db2.gz	UMJJEKFUXJSNNY-UHFFFAOYSA-N	2	0	349.523	1.239	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)N(C)C2CCN(c3cc[nH+]cc3)CC2)CC1	ZINC000368937574	447213081	/nfs/dbraw/zinc/21/30/81/447213081.db2.gz	QGJGEUATSBXYHY-UHFFFAOYSA-N	2	0	340.471	1.854	20	30		EDEDRP
C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@@H]1C[NH2+]CCC1(F)F)C(C)C	ZINC000417060282	447732197	/nfs/dbraw/zinc/73/21/97/447732197.db2.gz	JIFFOQYPOWEDST-HUUCEWRRSA-N	2	0	344.450	1.981	20	30		EDEDRP
C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCCO[C@@H](C[NH3+])C1)C(C)C	ZINC000417072859	447734189	/nfs/dbraw/zinc/73/41/89/447734189.db2.gz	XNTMORFCBOTQLR-DLBZAZTESA-N	2	0	338.496	1.444	20	30		EDEDRP
C=CCC[C@@H](O)C[N@H+]1CCC[C@H](CN2CCCN(C(C)=O)CC2)C1	ZINC000451540857	447738617	/nfs/dbraw/zinc/73/86/17/447738617.db2.gz	XROZGNVZWLIOHA-RTBURBONSA-N	2	0	337.508	1.580	20	30		EDEDRP
C=C(C)CN1CCC([NH2+][C@H](C)C2(C(=O)OCC)CC[NH2+]CC2)CC1	ZINC000422974979	447785403	/nfs/dbraw/zinc/78/54/03/447785403.db2.gz	FVNJGAPXEFCLBW-MRXNPFEDSA-N	2	0	337.508	1.938	20	30		EDEDRP
N#Cc1ccc(OC[C@H](O)C[NH2+]CC2CC[NH+](C3CC3)CC2)cc1	ZINC000591765084	448485870	/nfs/dbraw/zinc/48/58/70/448485870.db2.gz	ZGTULRNGLNIXKF-GOSISDBHSA-N	2	0	329.444	1.762	20	30		EDEDRP
N#Cc1ccc(OC2CCC([NH2+]C[C@@H](O)C[NH+]3CCCC3)CC2)nc1	ZINC000600733252	449523546	/nfs/dbraw/zinc/52/35/46/449523546.db2.gz	XVMPZIVBCVIKBL-LXPRWKDFSA-N	2	0	344.459	1.690	20	30		EDEDRP
C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)N(C)Cc1ccc(C#N)cc1	ZINC000596695822	449611532	/nfs/dbraw/zinc/61/15/32/449611532.db2.gz	CODJLLXASHRERW-INIZCTEOSA-N	2	0	345.491	1.972	20	30		EDEDRP
C=CC[C@]1(C(=O)N2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)CCC[NH2+]1	ZINC000662789863	453523681	/nfs/dbraw/zinc/52/36/81/453523681.db2.gz	DVVPJUIHKZXIOV-PKOBYXMFSA-N	2	0	334.508	1.313	20	30		EDEDRP
C=C(C)CN(CC)C(=O)C[NH+]1CCC(OCC[NH+]2CCCC2)CC1	ZINC000173955223	526519954	/nfs/dbraw/zinc/51/99/54/526519954.db2.gz	PQTNMGKWHMMCSF-UHFFFAOYSA-N	2	0	337.508	1.988	20	30		EDEDRP
CCC[N@@H+]1CC[C@H](CNC(=[NH2+])NCCc2ccc(OC)c(OC)c2)C1	ZINC000104179662	528254206	/nfs/dbraw/zinc/25/42/06/528254206.db2.gz	HCQQSNJHHFSREL-MRXNPFEDSA-N	2	0	348.491	1.883	20	30		EDEDRP
C[NH+]1CCN(c2ccc(C=NNC3=[NH+][C@@H]4CCCC[C@@H]4N3)cc2)CC1	ZINC000771557715	580288828	/nfs/dbraw/zinc/28/88/28/580288828.db2.gz	LOMVBJCVCHMDFO-HDICACEKSA-N	2	0	340.475	1.632	20	30		EDEDRP
C=C1CCN(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CC1	ZINC000892545382	591067304	/nfs/dbraw/zinc/06/73/04/591067304.db2.gz	VSVKHXIFMRWFPN-UHFFFAOYSA-N	2	0	343.475	1.955	20	30		EDEDRP
N#Cc1ccc(-c2cc(N3CC[NH+](C[C@H]4C[C@@H]([NH3+])C4)CC3)n[nH]2)cc1	ZINC000904376569	592245396	/nfs/dbraw/zinc/24/53/96/592245396.db2.gz	BXRZMTZVRFIYBZ-WOVMCDHWSA-N	2	0	336.443	1.808	20	30		EDEDRP
CC(C)C[NH+]=C(NC[C@H](C)C[NH+]1CCN(C)CC1)NC(C)(C)C	ZINC000912509637	593101456	/nfs/dbraw/zinc/10/14/56/593101456.db2.gz	MUUHEZXOXABZKP-INIZCTEOSA-N	2	0	325.545	1.860	20	30		EDEDRP
C=C(C[NH+](C)C)C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000846611831	595285332	/nfs/dbraw/zinc/28/53/32/595285332.db2.gz	HZBBVRSWDKWNGU-UHFFFAOYSA-N	2	0	326.444	1.757	20	30		EDEDRP
Cc1ccc([C@H](CNC(=O)C#CC2CC[NH2+]CC2)[NH+]2CCCC2)o1	ZINC000852864568	595584903	/nfs/dbraw/zinc/58/49/03/595584903.db2.gz	AGHJGEYJWYTUAI-KRWDZBQOSA-N	2	0	329.444	1.844	20	30		EDEDRP
C#CC[N@H+](C)CCCNC(=O)[C@H](C[NH+]1CCCC1)c1ccccc1	ZINC000854663694	596154008	/nfs/dbraw/zinc/15/40/08/596154008.db2.gz	DAJLXSYKXWCBFJ-LJQANCHMSA-N	2	0	327.472	1.937	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)Nc2cnn(C3CC[NH+](C)CC3)c2)CC1	ZINC000870532889	596273570	/nfs/dbraw/zinc/27/35/70/596273570.db2.gz	GGHXHTNFFYBAPS-UHFFFAOYSA-N	2	0	329.448	1.434	20	30		EDEDRP
C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21	ZINC000867975832	596641004	/nfs/dbraw/zinc/64/10/04/596641004.db2.gz	AYMNLTDBVGNFAG-LIRRHRJNSA-N	2	0	340.471	1.934	20	30		EDEDRP
C=C(Cl)C[C@H]([NH3+])C(=O)NCC1([NH+]2CCSCC2)CCCC1	ZINC000876728927	597309528	/nfs/dbraw/zinc/30/95/28/597309528.db2.gz	ZKMGFMSFSISCPF-ZDUSSCGKSA-N	2	0	331.913	1.934	20	30		EDEDRP
C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+](CCCOCC)C[C@@H]1C	ZINC000876765497	597329348	/nfs/dbraw/zinc/32/93/48/597329348.db2.gz	SGXUMNSGOULAAZ-AEGPPILISA-N	2	0	331.888	1.710	20	30		EDEDRP
CC1(C)CC[C@H](CNC(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)[NH2+]C1	ZINC000877152067	597443917	/nfs/dbraw/zinc/44/39/17/597443917.db2.gz	YUIGNZULFNROFA-NVXWUHKLSA-N	2	0	326.444	1.639	20	30		EDEDRP
COc1ccc(CN2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)cc1C#N	ZINC000877669593	597546420	/nfs/dbraw/zinc/54/64/20/597546420.db2.gz	PVGLZJIPMPZQST-QZTJIDSGSA-N	2	0	330.476	1.738	20	30		EDEDRP
CCN(C[C@@H](C)C#N)C(=O)C[N@H+](CCOC)CC1CC[NH+](C)CC1	ZINC000879124745	597826859	/nfs/dbraw/zinc/82/68/59/597826859.db2.gz	BQVIDNCYAXBTSI-INIZCTEOSA-N	2	0	338.496	1.285	20	30		EDEDRP
N#Cc1cccc(C[NH+]2CCC(NC(=O)[C@@H]([NH3+])CC3CC3)CC2)c1	ZINC000884389080	598089519	/nfs/dbraw/zinc/08/95/19/598089519.db2.gz	OESRCRJMAKXMLG-SFHVURJKSA-N	2	0	326.444	1.766	20	30		EDEDRP
C[NH+]1CCC2(CCN(C(=O)C3CC4(C3)C[NH2+]C[C@H]4C#N)CC2)CC1	ZINC000884460733	598111073	/nfs/dbraw/zinc/11/10/73/598111073.db2.gz	JRPIEUXJYCEOGH-KOHRHEQBSA-N	2	0	330.476	1.460	20	30		EDEDRP
C#CCN(C(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1)C1CC[NH+](C)CC1	ZINC000916865396	696800872	/nfs/dbraw/zinc/80/08/72/696800872.db2.gz	OTYAJICTCAESMN-KRWDZBQOSA-N	2	0	334.508	1.846	20	30		EDEDRP
C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@H](C)C1	ZINC000943515119	698429151	/nfs/dbraw/zinc/42/91/51/698429151.db2.gz	GLUZIJIZLOSYQG-SJLPKXTDSA-N	2	0	347.507	1.851	20	30		EDEDRP
CC#CC[N@@H+]1CC[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C(C)(C)C1	ZINC000941091520	701135279	/nfs/dbraw/zinc/13/52/79/701135279.db2.gz	VRDBMAGMKVMKDY-QGZVFWFLSA-N	2	0	345.491	1.298	20	30		EDEDRP
C[N@@H+]1CC[C@H](CC(=O)N2CCC([NH2+]Cc3ccccc3C#N)CC2)C1	ZINC000997187977	703477611	/nfs/dbraw/zinc/47/76/11/703477611.db2.gz	YFSRPIKYOLIWDI-MRXNPFEDSA-N	2	0	340.471	1.981	20	30		EDEDRP
N#Cc1cc(CN2CCC(NC(=O)Cn3ccnc3)CC2)ccc1F	ZINC001004257936	704085990	/nfs/dbraw/zinc/08/59/90/704085990.db2.gz	NOKCNWAFUSPLRG-UHFFFAOYSA-N	2	0	341.390	1.675	20	30		EDEDRP
C[C@@H]1[C@H](C(=O)N(C)C2CC([NH2+]Cc3cccc(C#N)c3)C2)CC[N@@H+]1C	ZINC000998794694	706241678	/nfs/dbraw/zinc/24/16/78/706241678.db2.gz	DVGZEQYYQNSKSF-YOODTLSXSA-N	2	0	340.471	1.977	20	30		EDEDRP
C=C(Br)C[NH2+][C@H]1CCCN(C(=O)[C@@H](CC)[NH+](C)C)C1	ZINC000999494023	707030630	/nfs/dbraw/zinc/03/06/30/707030630.db2.gz	HABITQUDYVUPHE-QWHCGFSZSA-N	2	0	332.286	1.816	20	30		EDEDRP
C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CCCC[NH+](Cc3cccc(C#N)c3)C2)C1	ZINC001034526587	710179276	/nfs/dbraw/zinc/17/92/76/710179276.db2.gz	ZNGCHPPBBLODJG-RBUKOAKNSA-N	2	0	340.471	1.981	20	30		EDEDRP
C[C@H]1C[NH+]=C(NCc2cccc(OCC[N@H+](C)C3CCOCC3)c2)N1	ZINC000262679985	249322642	/nfs/dbraw/zinc/32/26/42/249322642.db2.gz	VQPYNSQJHGTXFZ-HNNXBMFYSA-N	2	0	346.475	1.614	20	30		EDEDRP
C=CC[NH+]1CCC(NC(=O)N2CCC(OCC[NH+](C)C)CC2)CC1	ZINC000359277698	250151073	/nfs/dbraw/zinc/15/10/73/250151073.db2.gz	CYFSGCBUDLZOSR-UHFFFAOYSA-N	2	0	338.496	1.389	20	30		EDEDRP
C[C@H](C(=O)N(C)CCC#N)[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1	ZINC000368826373	250201150	/nfs/dbraw/zinc/20/11/50/250201150.db2.gz	QMHCSQNCDKQWKY-QGZVFWFLSA-N	2	0	349.523	1.096	20	30		EDEDRP
C#CCNC(=O)CC[NH2+][C@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1	ZINC000491681296	255140154	/nfs/dbraw/zinc/14/01/54/255140154.db2.gz	MGDIBMAREYYEEV-OAHLLOKOSA-N	2	0	346.450	1.368	20	30		EDEDRP
C#CCNC(=O)CC[NH2+]CC1CC[NH+](Cc2ccc(OC)cc2)CC1	ZINC000491733080	255146503	/nfs/dbraw/zinc/14/65/03/255146503.db2.gz	HYVJBMSUEKVZHM-UHFFFAOYSA-N	2	0	343.471	1.636	20	30		EDEDRP
C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)NCc1ccc(C#N)cc1	ZINC000298649477	266495130	/nfs/dbraw/zinc/49/51/30/266495130.db2.gz	PDUPZPFCOGFXBH-UHFFFAOYSA-N	2	0	345.491	1.973	20	30		EDEDRP
C[C@H](CNC(=[NH2+])N[C@H]1CCOc2ccccc21)C[NH+]1CCN(C)CC1	ZINC000083032502	441347735	/nfs/dbraw/zinc/34/77/35/441347735.db2.gz	MGQMURQSWQMSEI-WBVHZDCISA-N	2	0	345.491	1.298	20	30		EDEDRP
C[NH+]=C(NC[C@H]1C[N@H+](C)CCN1C)N[C@@H](C)c1cc2ccccc2o1	ZINC000088806243	441524400	/nfs/dbraw/zinc/52/44/00/441524400.db2.gz	UPOUZKPIFXUTLB-HOCLYGCPSA-N	2	0	343.475	1.905	20	30		EDEDRP
N#Cc1csc(C[NH2+]CCCN2CCN(c3ncccn3)CC2)c1	ZINC000177684282	442370406	/nfs/dbraw/zinc/37/04/06/442370406.db2.gz	OGUWDJHJEDHFMX-UHFFFAOYSA-N	2	0	342.472	1.712	20	30		EDEDRP
COc1ccc(CNC(=[NH2+])NCCC[NH+]2CCCCC2)cc1OC	ZINC000264109170	443249014	/nfs/dbraw/zinc/24/90/14/443249014.db2.gz	OKCJSTIYXYPWMY-UHFFFAOYSA-N	2	0	334.464	1.984	20	30		EDEDRP
COC[C@@H](C)NC(=[NH2+])NCCCC[NH+]1CCN(c2ccccc2)CC1	ZINC000264116585	443249464	/nfs/dbraw/zinc/24/94/64/443249464.db2.gz	SYBHYFHSZDKKRA-QGZVFWFLSA-N	2	0	347.507	1.528	20	30		EDEDRP
O=C(C#Cc1ccccc1)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1	ZINC000267010739	443313329	/nfs/dbraw/zinc/31/33/29/443313329.db2.gz	MZMIGOXDLXSDIZ-UHFFFAOYSA-N	2	0	348.450	1.762	20	30		EDEDRP
CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1nc(-c2cccc(F)c2)no1	ZINC000278607912	443377245	/nfs/dbraw/zinc/37/72/45/443377245.db2.gz	VVIYDOIWWNHHIU-AWEZNQCLSA-N	2	0	346.410	1.764	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)NC[C@H](c2cccc(OC)c2)[NH+](C)C)CC1	ZINC000299150777	443968529	/nfs/dbraw/zinc/96/85/29/443968529.db2.gz	MAQXDQRUXBHLIZ-LJQANCHMSA-N	2	0	343.471	1.759	20	30		EDEDRP
NC(=NOC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)[C@H]1CCCO1	ZINC000289439425	444144352	/nfs/dbraw/zinc/14/43/52/444144352.db2.gz	TUAISZBONFCUMM-DLBZAZTESA-N	2	0	333.432	1.745	20	30		EDEDRP
C#CC[N@@H+](C)CCCNC(=O)NCc1ccc(OCC[NH+](C)C)cc1	ZINC000296453665	444230733	/nfs/dbraw/zinc/23/07/33/444230733.db2.gz	VRFVDGQULODNHO-UHFFFAOYSA-N	2	0	346.475	1.381	20	30		EDEDRP
CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CCCN(c2ncccn2)C1	ZINC000305743421	444277299	/nfs/dbraw/zinc/27/72/99/444277299.db2.gz	JTXYVNXHNDAIBL-HZPDHXFCSA-N	2	0	345.495	1.082	20	30		EDEDRP
CN(C)c1ncc(CN2CC[C@@H](Oc3ccc(C#N)cn3)C2)n1C	ZINC000581663297	322205228	/nfs/dbraw/zinc/20/52/28/322205228.db2.gz	MQUZFXUOKYERHV-OAHLLOKOSA-N	2	0	326.404	1.406	20	30		EDEDRP
CC(C)[NH+]1CCC(O)(CNC(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)CC1	ZINC000329915448	444767214	/nfs/dbraw/zinc/76/72/14/444767214.db2.gz	DAQKWFBAMBEMOR-CABCVRRESA-N	2	0	326.485	1.208	20	30		EDEDRP
CC(C)C[NH+]1CCN(CC#CCN2CC[NH+](CC(C)C)CC2)CC1	ZINC000341833761	445024440	/nfs/dbraw/zinc/02/44/40/445024440.db2.gz	QMNCBAUHPAZROP-UHFFFAOYSA-N	2	0	334.552	1.537	20	30		EDEDRP
CCCC[NH+]1CCC(NC(=O)NC[C@@H]2C[N@H+](C)CCN2C)CC1	ZINC000330741835	445121754	/nfs/dbraw/zinc/12/17/54/445121754.db2.gz	PVFYTIJSOLKOHH-MRXNPFEDSA-N	2	0	325.501	1.000	20	30		EDEDRP
C=CCN(CC=C)C(=O)CN1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1	ZINC000362638581	445474219	/nfs/dbraw/zinc/47/42/19/445474219.db2.gz	IIORSALXDKLLKX-KRWDZBQOSA-N	2	0	334.508	1.287	20	30		EDEDRP
C[C@H]1C[N@H+](C)C[C@H]1C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1	ZINC000362549523	445434056	/nfs/dbraw/zinc/43/40/56/445434056.db2.gz	BZIXIYKIXIUHLK-MAUKXSAKSA-N	2	0	328.460	1.646	20	30		EDEDRP
C[NH+](C)C/C=C/C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1	ZINC000369161269	445962413	/nfs/dbraw/zinc/96/24/13/445962413.db2.gz	NYNLYCVGQINNME-HWKANZROSA-N	2	0	326.444	1.710	20	30		EDEDRP
O[C@@H]1CC[C@@H]2C[NH+](CC#CC[N@H+]3C[C@@H]4CC[C@H](O)C[C@H]4C3)C[C@H]2C1	ZINC000412047053	446808579	/nfs/dbraw/zinc/80/85/79/446808579.db2.gz	OMNSOYDIKWWIJC-YUNYCSSDSA-N	2	0	332.488	1.175	20	30		EDEDRP
COc1cc(CNCCC[N@@H+]2CCC[C@H](C(N)=O)C2)ccc1C#N	ZINC000440821478	446855826	/nfs/dbraw/zinc/85/58/26/446855826.db2.gz	IZFYYBYYXNOECT-INIZCTEOSA-N	2	0	330.432	1.244	20	30		EDEDRP
C=CC[NH+]1CCC(NC(=O)N2CC[NH+](C(C)(C)COC)CC2)CC1	ZINC000425448549	447169646	/nfs/dbraw/zinc/16/96/46/447169646.db2.gz	IQRVPPKFXNQWQT-UHFFFAOYSA-N	2	0	338.496	1.389	20	30		EDEDRP
C=C(C)CN1CCC([NH2+][C@@H](C)C2(C(=O)OCC)CC[NH2+]CC2)CC1	ZINC000422974978	447785554	/nfs/dbraw/zinc/78/55/54/447785554.db2.gz	FVNJGAPXEFCLBW-INIZCTEOSA-N	2	0	337.508	1.938	20	30		EDEDRP
C#CC[N@@H+](C)CCCNC(=O)NCC1CC[NH+](CCC(C)C)CC1	ZINC000491494149	448043731	/nfs/dbraw/zinc/04/37/31/448043731.db2.gz	AWJZDSMKULGCIT-UHFFFAOYSA-N	2	0	336.524	1.999	20	30		EDEDRP
C[N@@H+]1CCC[C@H](CC[NH2+]C[C@@H](O)COc2ccc(CC#N)cc2)C1	ZINC000572028567	448267528	/nfs/dbraw/zinc/26/75/28/448267528.db2.gz	CMGCQXSJXZYXST-QZTJIDSGSA-N	2	0	331.460	1.814	20	30		EDEDRP
N#Cc1ccc(CN2CC[C@H]([NH2+]C3CCC(C[NH3+])CC3)C2=O)cc1	ZINC000591572695	448393483	/nfs/dbraw/zinc/39/34/83/448393483.db2.gz	SKMATUPMCZWFIH-VJFUWPCTSA-N	2	0	326.444	1.766	20	30		EDEDRP
CN(CCC#N)C[C@H](O)C[NH2+]Cc1ccccc1C[NH+]1CCCC1	ZINC000583688593	448459752	/nfs/dbraw/zinc/45/97/52/448459752.db2.gz	QUDPRXMAWBHPEA-LJQANCHMSA-N	2	0	330.476	1.578	20	30		EDEDRP
N#CCc1ccc(OC[C@H](O)C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1	ZINC000591726576	448473992	/nfs/dbraw/zinc/47/39/92/448473992.db2.gz	QJLNUZZHTRUKIG-FGTMMUONSA-N	2	0	329.444	1.709	20	30		EDEDRP
CC(C)(C)NC(=O)C[NH+]1CCC(C[NH2+]C[C@@H](C#N)CCC#N)CC1	ZINC000573357870	448607859	/nfs/dbraw/zinc/60/78/59/448607859.db2.gz	GNLZGCXEDSBRFZ-MRXNPFEDSA-N	2	0	333.480	1.646	20	30		EDEDRP
C[C@H]1C[N@H+](CCC[NH2+]C[C@H](O)CC2(C#N)CCOCC2)CCCO1	ZINC000600736337	449525770	/nfs/dbraw/zinc/52/57/70/449525770.db2.gz	XUYYHCAPVJVVLB-DLBZAZTESA-N	2	0	339.480	1.148	20	30		EDEDRP
N#CCCCC[C@H]([NH3+])C(=O)N1CCC(OCC[NH+]2CCCC2)CC1	ZINC000594439052	449518368	/nfs/dbraw/zinc/51/83/68/449518368.db2.gz	NGCZAWKVQIMZMD-KRWDZBQOSA-N	2	0	336.480	1.501	20	30		EDEDRP
C=CC[C@@]1(C(=O)N2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)CCC[NH2+]1	ZINC000662789860	453524753	/nfs/dbraw/zinc/52/47/53/453524753.db2.gz	DVVPJUIHKZXIOV-HKUYNNGSSA-N	2	0	334.508	1.313	20	30		EDEDRP
CC[NH+]=C(NC[C@@H]1CC[N@H+](CC)C1)N1CC[C@H](c2cnn(C)c2)C1	ZINC000262450108	535263190	/nfs/dbraw/zinc/26/31/90/535263190.db2.gz	JQIXSMKZFBVIQN-HOTGVXAUSA-N	2	0	332.496	1.517	20	30		EDEDRP
C[NH+]1CCN(c2ccc(C[NH2+]C3CCN(CC#N)CC3)cc2)CC1	ZINC000771831662	580295957	/nfs/dbraw/zinc/29/59/57/580295957.db2.gz	XHZQUSCDCUUPJA-UHFFFAOYSA-N	2	0	327.476	1.516	20	30		EDEDRP
Cc1cc(C#N)cc(C)c1C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1	ZINC000899756687	591932328	/nfs/dbraw/zinc/93/23/28/591932328.db2.gz	ZEBMFCCLEUVWOA-QZTJIDSGSA-N	2	0	342.487	1.987	20	30		EDEDRP
N#CC1CCC(C[N@H+]2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)CC1	ZINC000903445636	592173187	/nfs/dbraw/zinc/17/31/87/592173187.db2.gz	MMCWYFLPCBRKBI-ZGUYJTEBSA-N	2	0	332.492	1.897	20	30		EDEDRP
C=C(CC[NH+](C)C)C(=O)N1CCC([NH+]2CCN(C(C)C)CC2)CC1	ZINC000901242184	592301493	/nfs/dbraw/zinc/30/14/93/592301493.db2.gz	XBBAOXCDXKUFQI-UHFFFAOYSA-N	2	0	336.524	1.511	20	30		EDEDRP
C=CCS(=O)(=O)CC[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21	ZINC000817921880	593649096	/nfs/dbraw/zinc/64/90/96/593649096.db2.gz	JZQFHSVIHRPRJX-NVXWUHKLSA-N	2	0	336.457	1.433	20	30		EDEDRP
CN(CCC#N)C[C@H](O)C[NH2+]C1CC[NH+](CC2CCCCC2)CC1	ZINC000818984128	593732158	/nfs/dbraw/zinc/73/21/58/593732158.db2.gz	XSIDFFKFZUVDTD-LJQANCHMSA-N	2	0	336.524	1.827	20	30		EDEDRP
C[C@@H](C#N)Oc1ccc(C[NH2+]C[C@H](C)CN2CC[NH+](C)CC2)cc1	ZINC000105438997	595282403	/nfs/dbraw/zinc/28/24/03/595282403.db2.gz	ZKYAZOCWTCCTNP-IRXDYDNUSA-N	2	0	330.476	1.951	20	30		EDEDRP
C[NH+](C)CCNC(=S)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000844597501	595363373	/nfs/dbraw/zinc/36/33/73/595363373.db2.gz	ZQDHSMSXBOYOCZ-UHFFFAOYSA-N	2	0	345.516	1.548	20	30		EDEDRP
CC[C@@H](CNC(=O)C#CC1CC[NH2+]CC1)[N@@H+]1CCc2ccccc2C1	ZINC000852858862	595579733	/nfs/dbraw/zinc/57/97/33/595579733.db2.gz	JQHMOOKDPARPEG-FQEVSTJZSA-N	2	0	339.483	1.943	20	30		EDEDRP
CN(C(=O)C#CC1CC[NH2+]CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000852883384	595596714	/nfs/dbraw/zinc/59/67/14/595596714.db2.gz	JYVXFOODZQISOX-LJQANCHMSA-N	2	0	325.456	1.722	20	30		EDEDRP
C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)C1	ZINC000867961945	596636146	/nfs/dbraw/zinc/63/61/46/596636146.db2.gz	ILRDAPPNUQFUQC-NUJGCVRESA-N	2	0	326.444	1.734	20	30		EDEDRP
N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)N[C@@H](CC[NH3+])C(F)(F)F	ZINC000867980322	596643516	/nfs/dbraw/zinc/64/35/16/596643516.db2.gz	QXRGXFPGBDGULW-QWHCGFSZSA-N	2	0	326.322	1.141	20	30		EDEDRP
C[NH+](C)C[C@@H]1CN(C(=O)CCc2ccc(C#N)cc2)C[C@H]1C[NH+](C)C	ZINC000870024540	596714767	/nfs/dbraw/zinc/71/47/67/596714767.db2.gz	RCBIOTWGEFKIFI-RTBURBONSA-N	2	0	342.487	1.689	20	30		EDEDRP
C[NH+](Cc1cc(C#N)cc(C[N@@H+](C)C2(CO)CC2)c1)C1(CO)CC1	ZINC000878610484	597653882	/nfs/dbraw/zinc/65/38/82/597653882.db2.gz	XHYDZMUHCKXHMQ-UHFFFAOYSA-N	2	0	329.444	1.472	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)N2CCN(c3cc[nH+]cc3)[C@H](C)C2)CC1	ZINC000881636172	597667894	/nfs/dbraw/zinc/66/78/94/597667894.db2.gz	PTKPCARRWFWGPZ-MRXNPFEDSA-N	2	0	326.444	1.464	20	30		EDEDRP
CN(C)c1ccc([C@H]([NH3+])CNC(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)cc1	ZINC000884010480	597967815	/nfs/dbraw/zinc/96/78/15/597967815.db2.gz	DLFYKHZDZATCII-QXCFYTAISA-N	2	0	341.459	1.008	20	30		EDEDRP
N#C[C@@H]1C[NH2+]CC12CC(C(=O)NC1CC[NH+](C3CCCC3)CC1)C2	ZINC000884186922	598019063	/nfs/dbraw/zinc/01/90/63/598019063.db2.gz	OJUJPVSHXALROG-XAUUPUKJSA-N	2	0	330.476	1.649	20	30		EDEDRP
N#C[C@@H]1C[NH2+]CC12CC(C(=O)N1C[C@@H](c3ccccc3F)[C@H]([NH3+])C1)C2	ZINC000884344452	598076205	/nfs/dbraw/zinc/07/62/05/598076205.db2.gz	GSJVLUYZDVBJRB-SYQSRGIKSA-N	2	0	342.418	1.218	20	30		EDEDRP
C=CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)c3cnn(CC[NH+](C)C)c3)C[C@H]21	ZINC000992834292	695396991	/nfs/dbraw/zinc/39/69/91/695396991.db2.gz	OFEPUUQVBIMJHK-CGTJXYLNSA-N	2	0	345.491	1.461	20	30		EDEDRP
C=C(C)C[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)COC3CC[NH+](C)CC3)C[C@H]21	ZINC000992881710	695428492	/nfs/dbraw/zinc/42/84/92/695428492.db2.gz	XQMCITASXZLIPO-BHIYHBOVSA-N	2	0	349.519	1.890	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)NC2C[NH+](C[C@@H]3CC[C@H]4C[C@H]4C3)C2)CC1	ZINC001031434781	697101745	/nfs/dbraw/zinc/10/17/45/697101745.db2.gz	DZMJHBHVLUIJLC-BPQIPLTHSA-N	2	0	329.488	1.568	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)NCC2C[NH+](CC3CC4(CCC4)C3)C2)CC1	ZINC001032207234	702117350	/nfs/dbraw/zinc/11/73/50/702117350.db2.gz	IOOXBRPHUXFHPX-UHFFFAOYSA-N	2	0	343.515	1.960	20	30		EDEDRP
C[N@@H+]1CC[C@H](C(=O)NCC2C[NH+](Cc3ccc(OCC#N)cc3)C2)C1	ZINC001032182210	702189526	/nfs/dbraw/zinc/18/95/26/702189526.db2.gz	HHDDMIVOBVJSKX-KRWDZBQOSA-N	2	0	342.443	1.089	20	30		EDEDRP
C#CCN1CC[NH+](C2CCC(NC(=O)C[N@H+]3CCC[C@H]3C)CC2)CC1	ZINC000996789006	703081485	/nfs/dbraw/zinc/08/14/85/703081485.db2.gz	JCPIGAZCJNCNJL-LMDPOFIKSA-N	2	0	346.519	1.149	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)N2CCC([NH2+]Cc3cncs3)CC2)CC1	ZINC000997365015	703598175	/nfs/dbraw/zinc/59/81/75/703598175.db2.gz	PKAIYEPDWKULFT-UHFFFAOYSA-N	2	0	346.500	1.569	20	30		EDEDRP
C=C(Cl)CN1CC[C@@H](N(C)C(=O)c2ccn(CC[NH+](C)C)n2)C1	ZINC001033085362	704148952	/nfs/dbraw/zinc/14/89/52/704148952.db2.gz	SWROUYJNQISSBF-CQSZACIVSA-N	2	0	339.871	1.344	20	30		EDEDRP
C=CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+]4CCC[C@H]4CO3)CC[C@@H]2C1	ZINC000946597683	704292504	/nfs/dbraw/zinc/29/25/04/704292504.db2.gz	GIRMKLKTDZJNNX-MHORFTMASA-N	2	0	333.476	1.206	20	30		EDEDRP
C[C@@H]1C[N@H+](Cc2ccccc2C#N)CC[C@H]1NC(=O)C[NH+]1CCCC1	ZINC000944942727	704794971	/nfs/dbraw/zinc/79/49/71/704794971.db2.gz	CKUGUMIBRFTKBS-VQIMIIECSA-N	2	0	340.471	1.981	20	30		EDEDRP
C#CC[N@H+]1CCC[C@@H](N(CC)C(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)CC1	ZINC000998064743	705274722	/nfs/dbraw/zinc/27/47/22/705274722.db2.gz	AZTYFJUSISXZCX-SFANZJOMSA-N	2	0	345.487	1.186	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)N(CC)[C@H]2CCC[N@H+](CCOC)CC2)CC1	ZINC000998197399	705502549	/nfs/dbraw/zinc/50/25/49/705502549.db2.gz	LWCACCHOTQDEEY-IBGZPJMESA-N	2	0	349.519	1.681	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)N2CCC(C[NH2+]CC3CCC3)CC2)CC1	ZINC000998286651	705682479	/nfs/dbraw/zinc/68/24/79/705682479.db2.gz	KMIYXUSLHOVCBS-UHFFFAOYSA-N	2	0	331.504	1.960	20	30		EDEDRP
C#CCN1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2cnccc2C)C1	ZINC000999394354	706888836	/nfs/dbraw/zinc/88/88/36/706888836.db2.gz	COQXBAIGGAAHIA-MOPGFXCFSA-N	2	0	340.471	1.568	20	30		EDEDRP
C=C(Br)C[NH2+]C1CC(N(C)C(=O)C[N@H+]2CCC[C@@H]2C)C1	ZINC000999405779	706914993	/nfs/dbraw/zinc/91/49/93/706914993.db2.gz	IHWWNMCANMKANQ-HSBZDZAISA-N	2	0	344.297	1.958	20	30		EDEDRP
Cc1cncn1CC(=O)N(C)[C@H]1CCN(CC#Cc2ccccc2)C1	ZINC001033265690	707289990	/nfs/dbraw/zinc/28/99/90/707289990.db2.gz	INVWTRZUZJQHNX-IBGZPJMESA-N	2	0	336.439	1.776	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)N(C)C2CC([NH2+]Cc3nocc3C)C2)CC1	ZINC000999875958	707523450	/nfs/dbraw/zinc/52/34/50/707523450.db2.gz	GGFJXOPWDJWFKQ-UHFFFAOYSA-N	2	0	344.459	1.407	20	30		EDEDRP
C=CCC[N@H+]1CC[C@H](N(CC)C(=O)c2ccn(CC[NH+](C)C)n2)C1	ZINC001033837159	708866082	/nfs/dbraw/zinc/86/60/82/708866082.db2.gz	LDNONUDDFCIEQB-INIZCTEOSA-N	2	0	333.480	1.557	20	30		EDEDRP
C=CCC[N@H+]1CCCC[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1	ZINC001034208307	709557095	/nfs/dbraw/zinc/55/70/95/709557095.db2.gz	BDWVSSNBUJGBIC-INIZCTEOSA-N	2	0	333.480	1.605	20	30		EDEDRP
C=C(C)C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)CC1	ZINC001034693817	710786183	/nfs/dbraw/zinc/78/61/83/710786183.db2.gz	HUKIXRPIMCTVIO-JBWWOZQKSA-N	2	0	333.476	1.443	20	30		EDEDRP
CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccc(C#N)nc1	ZINC000115354775	203073327	/nfs/dbraw/zinc/07/33/27/203073327.db2.gz	XBQYRVAETJMGKJ-KRWDZBQOSA-N	2	0	329.448	1.441	20	30		EDEDRP
CC[NH+]1CCN([C@H]2CC[N@H+](CCOc3ccc(C#N)cc3)C2)CC1	ZINC000107371086	204235249	/nfs/dbraw/zinc/23/52/49/204235249.db2.gz	NGWATEYDBLSZFQ-SFHVURJKSA-N	2	0	328.460	1.649	20	30		EDEDRP
C[NH+](C)CCNC(=O)C1CC[NH+](CCOc2cccc(C#N)c2)CC1	ZINC000195519299	139019573	/nfs/dbraw/zinc/01/95/73/139019573.db2.gz	OOOCBLOGSIUDEO-UHFFFAOYSA-N	2	0	344.459	1.327	20	30		EDEDRP
C=CC[NH+]1CCC(NC(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)CC1	ZINC000358786352	250144169	/nfs/dbraw/zinc/14/41/69/250144169.db2.gz	JLFFIKSKWDSUPV-KRWDZBQOSA-N	2	0	338.496	1.293	20	30		EDEDRP
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCC[C@H]1C[NH3+]	ZINC000418467205	269684868	/nfs/dbraw/zinc/68/48/68/269684868.db2.gz	OFXODQQWQJYQTC-ZWKOTPCHSA-N	2	0	343.475	1.759	20	30		EDEDRP
N#CCCC[C@H]([NH3+])C(=O)Nc1cccc(C[NH+]2CCC(CO)CC2)c1	ZINC000424143845	252140806	/nfs/dbraw/zinc/14/08/06/252140806.db2.gz	GNKBLMVRRXYTMT-SFHVURJKSA-N	2	0	344.459	1.851	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)N2CC[C@@H](OCC[NH+](CC)CC)C2)CC1	ZINC000490780145	255107062	/nfs/dbraw/zinc/10/70/62/255107062.db2.gz	DOXYCTILDPNPIT-GOSISDBHSA-N	2	0	335.492	1.291	20	30		EDEDRP
CC(C)C[C@H]([NH2+]Cc1ccc(C#N)cc1F)C(=O)NCC[NH+](C)C	ZINC000340103554	142266853	/nfs/dbraw/zinc/26/68/53/142266853.db2.gz	JBOAQQVMEJAITI-KRWDZBQOSA-N	2	0	334.439	1.879	20	30		EDEDRP
CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccc(C#N)n1C	ZINC000448855361	447353480	/nfs/dbraw/zinc/35/34/80/447353480.db2.gz	YDBUZMTVAKUNLB-INIZCTEOSA-N	2	0	331.464	1.385	20	30		EDEDRP
COCC[N@@H+]1CCC[C@H]1CNC(=[NH2+])N[C@@H]1CCOc2ccccc21	ZINC000083052262	441348589	/nfs/dbraw/zinc/34/85/89/441348589.db2.gz	PGAFNMDRKKELQJ-GOEBONIOSA-N	2	0	332.448	1.525	20	30		EDEDRP
C[NH+]=C(NC[C@H]1CC[N@@H+](C2CC2)C1)N1CCN(c2cccs2)CC1	ZINC000158900751	441772443	/nfs/dbraw/zinc/77/24/43/441772443.db2.gz	KHHKZICNLATDOF-OAHLLOKOSA-N	2	0	347.532	1.930	20	30		EDEDRP
CC[C@@H](C(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1)[NH+](C)C	ZINC000124632409	441940951	/nfs/dbraw/zinc/94/09/51/441940951.db2.gz	JNQDEYIYAVIOJJ-SFHVURJKSA-N	2	0	328.460	1.933	20	30		EDEDRP
N#Cc1ccsc1NC(=O)CC[N@@H+]1CC[C@H](CN2CCOCC2)C1	ZINC000129135302	442302899	/nfs/dbraw/zinc/30/28/99/442302899.db2.gz	BEOWEWQGPAFRGI-AWEZNQCLSA-N	2	0	348.472	1.602	20	30		EDEDRP
C[NH+]=C(NCc1cn2ccccc2n1)NC1CC[NH+](C(C)C)CC1	ZINC000262166792	443184621	/nfs/dbraw/zinc/18/46/21/443184621.db2.gz	CSWDJWRDVMBWIC-UHFFFAOYSA-N	2	0	328.464	1.872	20	30		EDEDRP
C[NH+]=C(NC[C@@H](O)c1cccc(F)c1)N1CC[C@H]([NH+]2CC=CC2)C1	ZINC000262800328	443213433	/nfs/dbraw/zinc/21/34/33/443213433.db2.gz	QWPIKNMTHRESTM-DLBZAZTESA-N	2	0	332.423	1.381	20	30		EDEDRP
C[NH+]=C(NC[C@@H]1CCC[N@@H+]1C)N[C@H]1CCN(c2cccc(OC)c2)C1	ZINC000262831701	443213975	/nfs/dbraw/zinc/21/39/75/443213975.db2.gz	VBKFMOFDDPKSKQ-RDJZCZTQSA-N	2	0	345.491	1.533	20	30		EDEDRP
COCCNC(=[NH2+])NCC1CC[NH+](Cc2ccc(OC)cc2)CC1	ZINC000264122899	443250760	/nfs/dbraw/zinc/25/07/60/443250760.db2.gz	VNZUPGGEFAPYHO-UHFFFAOYSA-N	2	0	334.464	1.458	20	30		EDEDRP
CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCc1ccn(-c2ccccc2)n1	ZINC000264318437	443260154	/nfs/dbraw/zinc/26/01/54/443260154.db2.gz	WZNVSFNJZBGQQY-SFHVURJKSA-N	2	0	340.475	1.803	20	30		EDEDRP
C=C(C)CNC(=[NH2+])NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1	ZINC000267406131	443446520	/nfs/dbraw/zinc/44/65/20/443446520.db2.gz	HAOGIYMFILASOZ-KRWDZBQOSA-N	2	0	343.475	1.364	20	30		EDEDRP
CC1CCN(C(=[NH2+])NCc2ccncc2OCCC[NH+](C)C)CC1	ZINC000288683444	443953486	/nfs/dbraw/zinc/95/34/86/443953486.db2.gz	IZBQMFKLOVHYNF-UHFFFAOYSA-N	2	0	333.480	1.959	20	30		EDEDRP
C#CC[N@H+](C)CCCNC(=O)C1CC[NH+](Cc2ccccc2)CC1	ZINC000293905923	444094168	/nfs/dbraw/zinc/09/41/68/444094168.db2.gz	FSECBKYOFSGUSE-UHFFFAOYSA-N	2	0	327.472	1.970	20	30		EDEDRP
N#Cc1ccc(C[NH2+]CCCC[NH+]2CCN(c3ncccn3)CC2)o1	ZINC000344215517	444844180	/nfs/dbraw/zinc/84/41/80/444844180.db2.gz	OQIPECDHLCXFGF-UHFFFAOYSA-N	2	0	340.431	1.633	20	30		EDEDRP
C[NH+](C)CCCN(CCC[NH+](C)C)S(=O)(=O)CC1(C#N)CCC1	ZINC000354115608	445915010	/nfs/dbraw/zinc/91/50/10/445915010.db2.gz	SPMDHMDICHCNGV-UHFFFAOYSA-N	2	0	344.525	1.215	20	30		EDEDRP
CCN(CCC#N)C(=O)C[NH+]1CCC2(C[C@@H]2C[N@H+](C)C2CC2)CC1	ZINC000367210034	446522174	/nfs/dbraw/zinc/52/21/74/446522174.db2.gz	YWVZVAFJGCOESZ-MRXNPFEDSA-N	2	0	332.492	1.945	20	30		EDEDRP
COc1cc(C[NH2+][C@@H](CC(C)C)C(=O)NCC[NH+](C)C)ccc1C#N	ZINC000440635545	446849122	/nfs/dbraw/zinc/84/91/22/446849122.db2.gz	IEPICNDPZIHDEI-KRWDZBQOSA-N	2	0	346.475	1.749	20	30		EDEDRP
C=CC[NH+]1CCC(NC(=O)[C@@H]([NH3+])Cc2c[nH]c3ccccc23)CC1	ZINC000438885280	446803601	/nfs/dbraw/zinc/80/36/01/446803601.db2.gz	UDIBQSMSQRNKOY-KRWDZBQOSA-N	2	0	326.444	1.804	20	30		EDEDRP
C[C@H](C[NH2+]C[C@H](O)COc1ccc(CC#N)cc1)C[NH+]1CCCC1	ZINC000571315789	448135560	/nfs/dbraw/zinc/13/55/60/448135560.db2.gz	NSEJOKRPGLWKSO-AEFFLSMTSA-N	2	0	331.460	1.814	20	30		EDEDRP
CC[NH+]1CCC(C[NH2+]C[C@H](O)COc2ccc(CC#N)cc2)CC1	ZINC000578006414	448436852	/nfs/dbraw/zinc/43/68/52/448436852.db2.gz	DZBNVKUWWNVTBN-SFHVURJKSA-N	2	0	331.460	1.814	20	30		EDEDRP
N#Cc1cccc(C[NH+]2CCC(NC(=O)C[C@@H]3CC[NH2+]C3)CC2)c1	ZINC000593918212	449286335	/nfs/dbraw/zinc/28/63/35/449286335.db2.gz	ADEQARQMTRSPDR-INIZCTEOSA-N	2	0	326.444	1.638	20	30		EDEDRP
C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)[C@@H]([NH3+])CCCC#N	ZINC000602579739	449685263	/nfs/dbraw/zinc/68/52/63/449685263.db2.gz	BJUQIQFPVGSHJC-NXHRZFHOSA-N	2	0	328.460	1.892	20	30		EDEDRP
C[N@@H+]1CC[C@]2(C1)CCCN(CC(=O)NCc1cccc(C#N)c1)C2	ZINC000595506651	450193983	/nfs/dbraw/zinc/19/39/83/450193983.db2.gz	FKZHCFAOPHJBOB-IBGZPJMESA-N	2	0	326.444	1.592	20	30		EDEDRP
CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccccc1Cn1cncn1	ZINC000264071745	535550249	/nfs/dbraw/zinc/55/02/49/535550249.db2.gz	DKTWHHJFEQYWMJ-QGZVFWFLSA-N	2	0	341.463	1.215	20	30		EDEDRP
C#CCC[NH+]1CCC(NC(=O)[C@H]([NH2+]C2CCOCC2)C(C)C)CC1	ZINC000743490519	579481732	/nfs/dbraw/zinc/48/17/32/579481732.db2.gz	QUJXQGSSBFFHEC-GOSISDBHSA-N	2	0	335.492	1.384	20	30		EDEDRP
C=C(C[NH+](C)C)C(=O)NCc1ccc(CN2CC[NH+](CC)CC2)cc1	ZINC000764292151	580117238	/nfs/dbraw/zinc/11/72/38/580117238.db2.gz	JMSCOSMYMXLQAB-UHFFFAOYSA-N	2	0	344.503	1.558	20	30		EDEDRP
C=C(C)C[NH+]1CCC(NC(=O)NC[C@H]2C[NH2+]CCC2(F)F)CC1	ZINC000891520182	591105758	/nfs/dbraw/zinc/10/57/58/591105758.db2.gz	FTJMFBNGIBPNRE-CYBMUJFWSA-N	2	0	330.423	1.571	20	30		EDEDRP
CCC[NH+]1CCN(c2ccccc2CN[C@@H]2CCCN(O)C2=O)CC1	ZINC000895160550	591627132	/nfs/dbraw/zinc/62/71/32/591627132.db2.gz	AKHLNZWWECQGEZ-QGZVFWFLSA-N	2	0	346.475	1.688	20	30		EDEDRP
COc1ccc(C#N)cc1CONC(=[NH2+])[C@H]1C[N@@H+]2CCC[C@H]2CO1	ZINC000902807723	592063585	/nfs/dbraw/zinc/06/35/85/592063585.db2.gz	OFSHARMHHGLRGE-GOEBONIOSA-N	2	0	330.388	1.429	20	30		EDEDRP
C=C(CC[NH+](C)C)C(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1	ZINC000900856932	592148395	/nfs/dbraw/zinc/14/83/95/592148395.db2.gz	DDPCOSLLTZNEIW-UHFFFAOYSA-N	2	0	336.524	1.561	20	30		EDEDRP
N#Cc1cc(Cl)cc(C[N@@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)c1	ZINC000903421020	592170565	/nfs/dbraw/zinc/17/05/65/592170565.db2.gz	JPVBQONZGRQJGM-INIZCTEOSA-N	2	0	346.862	1.855	20	30		EDEDRP
Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)NCC#CC[NH+](C)C	ZINC000905151308	592440401	/nfs/dbraw/zinc/44/04/01/592440401.db2.gz	LAXRJTZZBFYEQN-UHFFFAOYSA-N	2	0	343.475	1.433	20	30		EDEDRP
CCOCCC[NH+]=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)NC(C)(C)C	ZINC000912499615	593100698	/nfs/dbraw/zinc/10/06/98/593100698.db2.gz	VOTSDRSLYCAZPI-JKSUJKDBSA-N	2	0	340.512	1.610	20	30		EDEDRP
C=CCN(CN1C(=O)[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1=O)C(C)C	ZINC000839970419	593266047	/nfs/dbraw/zinc/26/60/47/593266047.db2.gz	SUFZKJNAZONTCZ-HDICACEKSA-N	2	0	341.455	1.957	20	30		EDEDRP
CC(=NNC1=[NH+][C@@H]2CCCC[C@@H]2N1)c1ccc2c(c1)CC[NH2+]CC2	ZINC000814885573	593606048	/nfs/dbraw/zinc/60/60/48/593606048.db2.gz	DPRJTRUCBQLPKS-HDICACEKSA-N	2	0	325.460	1.959	20	30		EDEDRP
N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1	ZINC000834499867	595145525	/nfs/dbraw/zinc/14/55/25/595145525.db2.gz	NQFBTUBOSSTYEB-UXLLHSPISA-N	2	0	330.407	1.265	20	30		EDEDRP
O=C(C#CC1CC[NH2+]CC1)NCc1ccc(C[NH+]2CCCC2)cc1	ZINC000852856258	595578134	/nfs/dbraw/zinc/57/81/34/595578134.db2.gz	XFGHONDEADGUMQ-UHFFFAOYSA-N	2	0	325.456	1.902	20	30		EDEDRP
O=C(C#CC1CC[NH2+]CC1)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1	ZINC000852860802	595581757	/nfs/dbraw/zinc/58/17/57/595581757.db2.gz	VGQHJWNTRUSTSL-LJQANCHMSA-N	2	0	325.456	1.770	20	30		EDEDRP
CC[N@H+](C)Cc1cc(O[C@H]2CC[NH+](CCO[C@H](C)C#N)C2)ccn1	ZINC000856584493	596023996	/nfs/dbraw/zinc/02/39/96/596023996.db2.gz	KYWMKXZLUCWXCC-QAPCUYQASA-N	2	0	332.448	1.915	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)N2CCC(C)([NH+]3CCOCC3)CC2)CC1	ZINC000862961351	596467185	/nfs/dbraw/zinc/46/71/85/596467185.db2.gz	WQYGZGDBZSMWEB-UHFFFAOYSA-N	2	0	333.476	1.045	20	30		EDEDRP
CC(C)[C@H](C[NH2+]Cc1cc(C#N)cnc1Cl)N1CC[NH+](C)CC1	ZINC000876923098	597386373	/nfs/dbraw/zinc/38/63/73/597386373.db2.gz	CSUXLQRQTUQLPY-INIZCTEOSA-N	2	0	335.883	1.968	20	30		EDEDRP
CC(C)(C)[C@]1(C[NH3+])CCN(C(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)C1	ZINC000877257217	597481412	/nfs/dbraw/zinc/48/14/12/597481412.db2.gz	NOWIVPCSLYNKQZ-PXNSSMCTSA-N	2	0	340.471	1.969	20	30		EDEDRP
CC[N@@H+]1CC[C@H]1CNC(=O)N1CCN(Cc2ccc(C#N)cc2)CC1	ZINC000883892555	597932888	/nfs/dbraw/zinc/93/28/88/597932888.db2.gz	QQDSUXTYLHRXBC-SFHVURJKSA-N	2	0	341.459	1.480	20	30		EDEDRP
C=CC[NH+](CC=C)[C@H](CNC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N)C(C)C	ZINC000884191694	598021079	/nfs/dbraw/zinc/02/10/79/598021079.db2.gz	KMZNEVJQPVOUAJ-AGYKMIKPSA-N	2	0	344.503	1.941	20	30		EDEDRP
C#CC[NH+]1CCC(NC(=O)NCC[N@@H+]2CCc3ccccc3C2)CC1	ZINC000914069439	695064826	/nfs/dbraw/zinc/06/48/26/695064826.db2.gz	WELYYZGJHZWFQT-UHFFFAOYSA-N	2	0	340.471	1.442	20	30		EDEDRP
C=CCC[NH+]1CC(N2CCN(C(=O)c3ccn4c[nH+]cc4c3)CC2)C1	ZINC000941475329	701551360	/nfs/dbraw/zinc/55/13/60/701551360.db2.gz	QPGKYDWFTQDSSY-UHFFFAOYSA-N	2	0	339.443	1.352	20	30		EDEDRP
C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1(C)C	ZINC000995827356	702100802	/nfs/dbraw/zinc/10/08/02/702100802.db2.gz	YOBSDXBLSPOOEM-HUUCEWRRSA-N	2	0	325.884	1.907	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)NCC2C[NH+](Cc3csc(C)c3)C2)CC1	ZINC001032207531	702199681	/nfs/dbraw/zinc/19/96/81/702199681.db2.gz	WCGFFNGLCBWKAN-UHFFFAOYSA-N	2	0	345.512	1.950	20	30		EDEDRP
C#CC[NH2+][C@@H]1CN(C(=O)c2ccccc2CC[NH+](C)C)CC1(C)C	ZINC000996095099	702508779	/nfs/dbraw/zinc/50/87/79/702508779.db2.gz	BMYILKMNUQUAKR-GOSISDBHSA-N	2	0	327.472	1.864	20	30		EDEDRP
C#CC[N@@H+]1CC[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)[C@H](C)C1	ZINC000942530036	703031111	/nfs/dbraw/zinc/03/11/11/703031111.db2.gz	OKFJWBQMVLXLET-VQIMIIECSA-N	2	0	327.472	1.864	20	30		EDEDRP
C#CC[N@@H+]1CC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)[C@H](C)C1	ZINC000942718217	703232152	/nfs/dbraw/zinc/23/21/52/703232152.db2.gz	DBQSUIICOPHZBN-APWZRJJASA-N	2	0	327.472	1.864	20	30		EDEDRP
C[N@@H+]1CC[C@H](CC(=O)N2CCC([NH2+]Cc3cccc(C#N)c3)CC2)C1	ZINC000997187957	703477675	/nfs/dbraw/zinc/47/76/75/703477675.db2.gz	XZYMKJOCUGLHOF-GOSISDBHSA-N	2	0	340.471	1.981	20	30		EDEDRP
C=CCC[N@H+]1CCC[C@@]2(CCN(C(=O)COC3CC[NH+](C)CC3)C2)C1	ZINC001040474450	705530954	/nfs/dbraw/zinc/53/09/54/705530954.db2.gz	MVBMLGFACPDCST-HXUWFJFHSA-N	2	0	349.519	1.988	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)N2CCC(C[NH2+]C[C@H]3CCOC3)CC2)CC1	ZINC000998286208	705681741	/nfs/dbraw/zinc/68/17/41/705681741.db2.gz	IQNICZFWNOBUKB-GOSISDBHSA-N	2	0	347.503	1.196	20	30		EDEDRP
C#CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(CC[NH+](C)C)cc1	ZINC001032629799	705755292	/nfs/dbraw/zinc/75/52/92/705755292.db2.gz	LUNFFDIEPAJYMN-OALUTQOASA-N	2	0	325.456	1.713	20	30		EDEDRP
CN(C(=O)[C@H]1CCC[N@@H+]1C)C1CC([NH2+]Cc2ccc(C#N)c(F)c2)C1	ZINC000998548311	705984110	/nfs/dbraw/zinc/98/41/10/705984110.db2.gz	GDSVJIKGWGFGIY-LEOMRAHMSA-N	2	0	344.434	1.871	20	30		EDEDRP
C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]Cc2ccc(C#N)s2)C1	ZINC000998725170	706160029	/nfs/dbraw/zinc/16/00/29/706160029.db2.gz	VMQAWZGSGXBKTF-XJKSGUPXSA-N	2	0	332.473	1.795	20	30		EDEDRP
C=C(C)C[NH+]1CCC(N(C)C(=O)c2ccn(CC[NH+](C)C)n2)CC1	ZINC001005411327	708926462	/nfs/dbraw/zinc/92/64/62/708926462.db2.gz	YOHHBSSGWWQBCP-UHFFFAOYSA-N	2	0	333.480	1.557	20	30		EDEDRP
C=CCC[N@H+]1CC[C@H](N(CC)C(=O)c2cnn(CC[NH+](C)C)c2)C1	ZINC001033982912	709191744	/nfs/dbraw/zinc/19/17/44/709191744.db2.gz	JPEFLDXZOLRESY-KRWDZBQOSA-N	2	0	333.480	1.557	20	30		EDEDRP
C=C(C)C[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2C2CCOCC2)C1	ZINC001033141877	711945223	/nfs/dbraw/zinc/94/52/23/711945223.db2.gz	PHAAJBOZQNNMOG-QZTJIDSGSA-N	2	0	335.492	1.739	20	30		EDEDRP
C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCC(C[NH+]2CCOCC2)CC1	ZINC000051959437	201126628	/nfs/dbraw/zinc/12/66/28/201126628.db2.gz	OSMOQKSXURFRIM-KRWDZBQOSA-N	2	0	335.492	1.620	20	30		EDEDRP
C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@@H]1[NH2+]CCC(=O)N(C)CCC#N	ZINC000372361362	250219418	/nfs/dbraw/zinc/21/94/18/250219418.db2.gz	YYQCIIOZUGSDIY-ZACQAIPSSA-N	2	0	336.480	1.228	20	30		EDEDRP
C#CCC[NH+]1CCC(NC(=O)[C@@]2([NH+](C)C)CCc3ccccc32)CC1	ZINC000369758374	250204015	/nfs/dbraw/zinc/20/40/15/250204015.db2.gz	WVUZTIVWWFTPKY-OAQYLSRUSA-N	2	0	339.483	1.994	20	30		EDEDRP
CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](O)COc2ccc(C#N)cc2)[C@H](C)C1	ZINC000174776000	207057709	/nfs/dbraw/zinc/05/77/09/207057709.db2.gz	FVJZWNBIZVSGFZ-AYBZRNKSSA-N	2	0	331.460	1.960	20	30		EDEDRP
N#CCCC[C@H]([NH3+])C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1	ZINC000424149200	252145444	/nfs/dbraw/zinc/14/54/44/252145444.db2.gz	BMZRJDXJMJEQNB-UHOFOFEASA-N	2	0	336.386	1.548	20	30		EDEDRP
C[NH+]1CCN(C[C@@H]2CCC[N@H+](CCOc3ccccc3C#N)C2)CC1	ZINC000367172761	154029167	/nfs/dbraw/zinc/02/91/67/154029167.db2.gz	ZMVWCCKMMOVWDJ-GOSISDBHSA-N	2	0	342.487	1.896	20	30		EDEDRP
N#Cc1ccc(C[NH+]2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)o1	ZINC000289720107	270010292	/nfs/dbraw/zinc/01/02/92/270010292.db2.gz	HDBIUTZHCSWKLE-UHFFFAOYSA-N	2	0	344.459	1.965	20	30		EDEDRP
C[C@H](C[NH2+]C1CCN(c2ccc(C#N)cc2)CC1)N1CC[NH+](C)CC1	ZINC000285508216	267163418	/nfs/dbraw/zinc/16/34/18/267163418.db2.gz	ANHNDLYHALIYKX-QGZVFWFLSA-N	2	0	341.503	1.753	20	30		EDEDRP
N#Cc1cccc(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)c1	ZINC000299542297	268237219	/nfs/dbraw/zinc/23/72/19/268237219.db2.gz	JJPCXFFPOTZZQV-UHFFFAOYSA-N	2	0	349.438	1.895	20	30		EDEDRP
CCOC(=O)N1CCC(NC(=[NH2+])NC[C@H](CC(C)C)[NH+](C)C)CC1	ZINC000104160408	441190882	/nfs/dbraw/zinc/19/08/82/441190882.db2.gz	AOZOGBWGPKDCPP-HNNXBMFYSA-N	2	0	341.500	1.488	20	30		EDEDRP
C[NH+]=C(NCc1nccn1C(F)F)NC1CC[NH+](C(C)C)CC1	ZINC000114091051	441634831	/nfs/dbraw/zinc/63/48/31/441634831.db2.gz	HNEQQJALAGGQGX-UHFFFAOYSA-N	2	0	328.411	1.816	20	30		EDEDRP
CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc(C)cc1OCCOC	ZINC000267936244	442792371	/nfs/dbraw/zinc/79/23/71/442792371.db2.gz	RCJKTKDHFVHVBC-KRWDZBQOSA-N	2	0	348.491	1.909	20	30		EDEDRP
COc1ccc(C[NH2+]CCCN2CCC[C@H]2C(=O)N(C)C)cc1C#N	ZINC000266200274	443054817	/nfs/dbraw/zinc/05/48/17/443054817.db2.gz	KUXFOTXPUXMEPU-KRWDZBQOSA-N	2	0	344.459	1.599	20	30		EDEDRP
CC[NH+]=C(NC[C@H]1CCC[N@@H+]1C)N1CC[C@H](Oc2ccccn2)C1	ZINC000261934332	443174932	/nfs/dbraw/zinc/17/49/32/443174932.db2.gz	CDTOYTMBZHVBBE-CVEARBPZSA-N	2	0	331.464	1.594	20	30		EDEDRP
C/[NH+]=C(/NCc1cn2ccsc2n1)N[C@H]1C[N@@H+](C(C)C)C[C@H]1C	ZINC000262002209	443179019	/nfs/dbraw/zinc/17/90/19/443179019.db2.gz	UTAOQRIVNRHYLJ-OCCSQVGLSA-N	2	0	334.493	1.790	20	30		EDEDRP
C[NH+](C)C1CCN(CCNC(=[NH2+])N[C@H]2CCOc3ccccc32)CC1	ZINC000262358209	443192178	/nfs/dbraw/zinc/19/21/78/443192178.db2.gz	CEHASXOFDOPZDL-KRWDZBQOSA-N	2	0	345.491	1.441	20	30		EDEDRP
CC[NH+]=C(NC[C@@H](O)c1ccccc1F)N1CC[C@H]([NH+]2CC=CC2)C1	ZINC000262753079	443210408	/nfs/dbraw/zinc/21/04/08/443210408.db2.gz	AGICIQJIVZYDRT-MAUKXSAKSA-N	2	0	346.450	1.771	20	30		EDEDRP
C=CC[NH+](CC=C)[C@@H](CNC(=O)NC[C@](C)(O)C[NH+](C)C)C(C)C	ZINC000269935423	443456192	/nfs/dbraw/zinc/45/61/92/443456192.db2.gz	VGFKEDSOHZJZNQ-WMZOPIPTSA-N	2	0	340.512	1.297	20	30		EDEDRP
C#CC[N@H+](C)CCCNC(=O)N1CCC[NH+](Cc2ccccc2)CC1	ZINC000296899038	444261400	/nfs/dbraw/zinc/26/14/00/444261400.db2.gz	MXQGLWUFTDLCNS-UHFFFAOYSA-N	2	0	342.487	1.859	20	30		EDEDRP
C#CC[N@H+](C)CCCNC(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1	ZINC000296460192	444231714	/nfs/dbraw/zinc/23/17/14/444231714.db2.gz	YZLPPOHFHLLXFM-INIZCTEOSA-N	2	0	332.448	1.671	20	30		EDEDRP
CC[N@@H+]1CCC[C@@H](NC(=O)N2CCC([NH+](C)CCCO)CC2)C1	ZINC000330840386	445161764	/nfs/dbraw/zinc/16/17/64/445161764.db2.gz	ADMUIDSKIJRQAI-OAHLLOKOSA-N	2	0	326.485	1.163	20	30		EDEDRP
C=C(C)C[NH+]1CCC(NC(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1	ZINC000377564906	447209590	/nfs/dbraw/zinc/20/95/90/447209590.db2.gz	IZYMGOGZHGQZES-SJORKVTESA-N	2	0	336.480	1.189	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)CC1	ZINC000490873792	447903229	/nfs/dbraw/zinc/90/32/29/447903229.db2.gz	KFLOTGMFVRSMEU-IBGZPJMESA-N	2	0	327.472	1.621	20	30		EDEDRP
C#CCNC(=O)CC[NH+]1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1	ZINC000491153804	447938825	/nfs/dbraw/zinc/93/88/25/447938825.db2.gz	DKGDJVWCFQGFOQ-CALCHBBNSA-N	2	0	335.492	1.337	20	30		EDEDRP
C#CC[N@@H+](C)CCCNC(=O)NC[C@H](Cc1ccccc1)[NH+](C)C	ZINC000491251939	447972302	/nfs/dbraw/zinc/97/23/02/447972302.db2.gz	DGQHKGUJPFDBDA-SFHVURJKSA-N	2	0	330.476	1.414	20	30		EDEDRP
C[C@@H]([NH2+]C[C@@H](O)COc1ccc(CC#N)cc1)C1CC[NH+](C)CC1	ZINC000591739647	448477627	/nfs/dbraw/zinc/47/76/27/448477627.db2.gz	OYXRHZBVBVIOEA-CRAIPNDOSA-N	2	0	331.460	1.812	20	30		EDEDRP
CC(C)(C)NC(=O)C[NH+]1CCC(C[NH2+]C[C@H](C#N)CCC#N)CC1	ZINC000573357869	448608536	/nfs/dbraw/zinc/60/85/36/448608536.db2.gz	GNLZGCXEDSBRFZ-INIZCTEOSA-N	2	0	333.480	1.646	20	30		EDEDRP
C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1ccc(C2(C#N)CC2)cc1	ZINC000539722393	448617404	/nfs/dbraw/zinc/61/74/04/448617404.db2.gz	IUEXEQNNQBNMQB-UHFFFAOYSA-N	2	0	328.460	1.807	20	30		EDEDRP
N#Cc1ccc(N2CCC([NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)CC2)nc1	ZINC000592471010	448852077	/nfs/dbraw/zinc/85/20/77/448852077.db2.gz	RNOWDZRBANWPNU-SOLBZPMBSA-N	2	0	325.460	1.900	20	30		EDEDRP
C[C@H]([NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1)c1cccc(C#N)c1	ZINC000611388892	449278765	/nfs/dbraw/zinc/27/87/65/449278765.db2.gz	UFWOHYCQQFMNGO-AWEZNQCLSA-N	2	0	326.444	1.952	20	30		EDEDRP
Cc1cc(NCC[N@@H+](C)C2CC2)c(C#N)c(NCC[NH+](C)C2CC2)n1	ZINC000596087168	449355618	/nfs/dbraw/zinc/35/56/18/449355618.db2.gz	GSVPNXIPKITMGL-UHFFFAOYSA-N	2	0	342.491	2.274	20	30		EDEDRP
CN1CC[NH+](CC2(C)CC[NH+](C[C@H](O)CC(C)(C)C#N)CC2)CC1	ZINC000598604169	449486873	/nfs/dbraw/zinc/48/68/73/449486873.db2.gz	JYIHLJXGVBGFPS-QGZVFWFLSA-N	2	0	336.524	1.637	20	30		EDEDRP
C[C@H](CCNc1nc(NCC[C@H](C)[NH+](C)C)ccc1C#N)[NH+](C)C	ZINC000596430099	449498134	/nfs/dbraw/zinc/49/81/34/449498134.db2.gz	IZKHJVPMZJVSBP-LSDHHAIUSA-N	2	0	332.496	2.457	20	30		EDEDRP
CC(C)(C)NC(=O)C[NH+]1CCC(C[NH2+]Cc2cccc(C#N)n2)CC1	ZINC000602563938	449676767	/nfs/dbraw/zinc/67/67/67/449676767.db2.gz	IRVLXOUIMVWVMJ-UHFFFAOYSA-N	2	0	343.475	1.670	20	30		EDEDRP
C=CCC1([NH2+]CC(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)CCCC1	ZINC000661849842	452630663	/nfs/dbraw/zinc/63/06/63/452630663.db2.gz	HWJKRMAMHOQWOI-KRWDZBQOSA-N	2	0	337.508	1.938	20	30		EDEDRP
CC[NH+]=C(NC[C@H](C)[N@@H+]1CCC[C@@H](C)C1)N1CCN(C(C)=O)CC1	ZINC000263229903	535264649	/nfs/dbraw/zinc/26/46/49/535264649.db2.gz	HUFSURXTVAUTLH-CVEARBPZSA-N	2	0	337.512	1.236	20	30		EDEDRP
CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc(OC)c([N+](=O)[O-])c1	ZINC000264084135	535598021	/nfs/dbraw/zinc/59/80/21/535598021.db2.gz	INDFAOMKKAAZGH-ZDUSSCGKSA-N	2	0	335.408	1.492	20	30		EDEDRP
[NH2+]=C(NCCC[NH+]1CCC(O)CC1)Nc1ccc2c(c1)OCCCO2	ZINC000104168458	590800789	/nfs/dbraw/zinc/80/07/89/590800789.db2.gz	JELZPBXJNIFLGI-UHFFFAOYSA-N	2	0	348.447	1.421	20	30		EDEDRP
C=C(CC[NH+](C)C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO	ZINC000901238876	592299694	/nfs/dbraw/zinc/29/96/94/592299694.db2.gz	GEPLHRSJIKQHKO-RBUKOAKNSA-N	2	0	345.487	1.494	20	30		EDEDRP
C#CC[NH+]1CCC(NC(=O)NC[C@H](c2cccs2)[NH+](C)C)CC1	ZINC000905146381	592437751	/nfs/dbraw/zinc/43/77/51/592437751.db2.gz	VFUUTDXNKYXMQK-OAHLLOKOSA-N	2	0	334.489	1.748	20	30		EDEDRP
C#CC[NH+](C)CCCNC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C	ZINC000836402592	594960043	/nfs/dbraw/zinc/96/00/43/594960043.db2.gz	JRGUPFDWTUCSBX-PKOBYXMFSA-N	2	0	342.487	1.761	20	30		EDEDRP
C[C@H](C(=O)N[C@H]1C[NH2+]C[C@@H]1C#N)[NH+]1CCC(Cc2ccccc2)CC1	ZINC000834489235	595140225	/nfs/dbraw/zinc/14/02/25/595140225.db2.gz	KYWYPVTZFMCGBI-MNEFBYGVSA-N	2	0	340.471	1.557	20	30		EDEDRP
C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)C#CC2CC[NH2+]CC2)C1	ZINC000852869336	595589495	/nfs/dbraw/zinc/58/94/95/595589495.db2.gz	CPBURWZVKUPJDM-IBGZPJMESA-N	2	0	325.456	1.722	20	30		EDEDRP
C#CC[N@H+](C)CCCNC(=O)[C@@H](C[NH+]1CCCC1)c1ccccc1	ZINC000854663693	596153668	/nfs/dbraw/zinc/15/36/68/596153668.db2.gz	DAJLXSYKXWCBFJ-IBGZPJMESA-N	2	0	327.472	1.937	20	30		EDEDRP
C[C@H](CNC(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21)C[NH+]1CCCCC1	ZINC000876731074	597310372	/nfs/dbraw/zinc/31/03/72/597310372.db2.gz	DNTCEAPQMFTUCY-BEFAXECRSA-N	2	0	340.471	1.983	20	30		EDEDRP
CC(C)[N@@H+]1CC[C@@H](CNC(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)C1	ZINC000876734041	597312092	/nfs/dbraw/zinc/31/20/92/597312092.db2.gz	NVWHXIOTMRBCFP-YJBOKZPZSA-N	2	0	326.444	1.592	20	30		EDEDRP
CC[NH+]1CCC(CNC(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)CC1	ZINC000876734712	597313415	/nfs/dbraw/zinc/31/34/15/597313415.db2.gz	IYRFPLUHEJXUFS-SFHVURJKSA-N	2	0	326.444	1.593	20	30		EDEDRP
C=CCSCCNC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1	ZINC000875176317	597315921	/nfs/dbraw/zinc/31/59/21/597315921.db2.gz	XSEYYDVZNCZWSO-HUUCEWRRSA-N	2	0	328.526	1.286	20	30		EDEDRP
N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)NC1CC([NH+]2CCCCC2)C1	ZINC000876885115	597369465	/nfs/dbraw/zinc/36/94/65/597369465.db2.gz	VKNPSOFLGQOVLM-TVPLGVNVSA-N	2	0	338.455	1.878	20	30		EDEDRP
CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)C1	ZINC000876955957	597395802	/nfs/dbraw/zinc/39/58/02/597395802.db2.gz	CUQQDNVNTGHMFW-CRAIPNDOSA-N	2	0	340.471	1.982	20	30		EDEDRP
C=CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)c3ccn(CC[NH+](C)C)n3)C[C@@H]21	ZINC000992701277	695223637	/nfs/dbraw/zinc/22/36/37/695223637.db2.gz	RUDQQIVQPUTJNR-YESZJQIVSA-N	2	0	345.491	1.461	20	30		EDEDRP
C#CCC[N@H+]1CCC[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)[C@@H]1C	ZINC000993582379	696234410	/nfs/dbraw/zinc/23/44/10/696234410.db2.gz	ZHTCZICFHJOMBH-RDJZCZTQSA-N	2	0	337.427	1.873	20	30		EDEDRP
C=C(Br)C[NH2+][C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C	ZINC000939547750	699673197	/nfs/dbraw/zinc/67/31/97/699673197.db2.gz	ZCKOICVMVJIPSJ-DGCLKSJQSA-N	2	0	342.281	1.427	20	30		EDEDRP
C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1[NH2+]Cc1cccc(C#N)c1	ZINC000939752770	699902117	/nfs/dbraw/zinc/90/21/17/699902117.db2.gz	ABRKYXRHFVRSQX-QAPCUYQASA-N	2	0	326.444	1.591	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@@H]([NH2+]Cc3cncs3)C2)CC1	ZINC000939812231	699960064	/nfs/dbraw/zinc/96/00/64/699960064.db2.gz	VOIBAVUPEAFCMF-PBHICJAKSA-N	2	0	346.500	1.425	20	30		EDEDRP
C#CC[NH2+][C@H]1CN(C(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)CC1(C)C	ZINC000995834464	702111193	/nfs/dbraw/zinc/11/11/93/702111193.db2.gz	SVFRQYGCBFDKMP-SQNIBIBYSA-N	2	0	347.503	1.193	20	30		EDEDRP
C[C@@H]1[C@H](C(=O)N2CCC([NH2+]Cc3ccc(C#N)cc3)CC2)CC[N@@H+]1C	ZINC000996608391	702911597	/nfs/dbraw/zinc/91/15/97/702911597.db2.gz	SDLDNQFACSSPPG-DNVCBOLYSA-N	2	0	340.471	1.979	20	30		EDEDRP
C=CC[N@H+]1CCC[C@@H](N(CC)C(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)CC1	ZINC000998067927	705281236	/nfs/dbraw/zinc/28/12/36/705281236.db2.gz	WWFAZWWUZRVEGF-SFANZJOMSA-N	2	0	347.503	1.739	20	30		EDEDRP
C=CC[N@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)CC1	ZINC000998067926	705281625	/nfs/dbraw/zinc/28/16/25/705281625.db2.gz	WWFAZWWUZRVEGF-NRGCRIOASA-N	2	0	347.503	1.739	20	30		EDEDRP
C#CC[NH2+][C@H]1CN(C(=O)CC2CC[NH+](C)CC2)CC[C@@H]1C(F)(F)F	ZINC000998306833	705711213	/nfs/dbraw/zinc/71/12/13/705711213.db2.gz	UUPGUVPTWYNURP-GJZGRUSLSA-N	2	0	345.409	1.721	20	30		EDEDRP
C=C(Br)C[NH2+][C@@H]1CCCN(C(=O)[C@H](C2CC2)[NH+](C)C)C1	ZINC000999373570	706867860	/nfs/dbraw/zinc/86/78/60/706867860.db2.gz	QSVFGBKEFAOFPN-KGLIPLIRSA-N	2	0	344.297	1.816	20	30		EDEDRP
C#CCN1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2c(C)noc2C)C1	ZINC000999391291	706904511	/nfs/dbraw/zinc/90/45/11/706904511.db2.gz	KCDJJHGIGDMERT-AEFFLSMTSA-N	2	0	344.459	1.470	20	30		EDEDRP
C=C(C)CC[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2COCCN2CC2CCC2)C1	ZINC001033297527	707413909	/nfs/dbraw/zinc/41/39/09/707413909.db2.gz	OQEHSUIOYIOOAR-RTBURBONSA-N	2	0	349.519	1.986	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)NCC2CC[NH+](CCC3CC3)CC2)CC1	ZINC001002146047	708660109	/nfs/dbraw/zinc/66/01/09/708660109.db2.gz	WFAWJULURJBASC-UHFFFAOYSA-N	2	0	331.504	1.960	20	30		EDEDRP
CCN(C(=O)[C@@H]1CC[NH+](C)C1)[C@@H]1CC[N@H+](Cc2cccc(C#N)c2)C1	ZINC001034044087	709295892	/nfs/dbraw/zinc/29/58/92/709295892.db2.gz	ZXGGNSCBSXSARA-RTBURBONSA-N	2	0	340.471	1.933	20	30		EDEDRP
C=CC[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CCC[NH+]2C2CCOCC2)C1	ZINC001034240080	709623616	/nfs/dbraw/zinc/62/36/16/709623616.db2.gz	GIRSTIDDCWPGST-SJLPKXTDSA-N	2	0	335.492	1.787	20	30		EDEDRP
C#CCC[N@H+]1CCCC[C@@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1	ZINC001034304402	709774754	/nfs/dbraw/zinc/77/47/54/709774754.db2.gz	TVGOHKPCXOJJCC-MRXNPFEDSA-N	2	0	337.427	1.875	20	30		EDEDRP
C#CCC[N@H+]1CCCC[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1	ZINC001034435920	710009480	/nfs/dbraw/zinc/00/94/80/710009480.db2.gz	MVQIHSWSNXSGRQ-QGZVFWFLSA-N	2	0	331.464	1.052	20	30		EDEDRP
C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NC1CC[NH+](Cc2ccc(C#N)cc2)CC1	ZINC001003634339	710461786	/nfs/dbraw/zinc/46/17/86/710461786.db2.gz	JPEGJNUNESSIJH-DNVCBOLYSA-N	2	0	340.471	1.837	20	30		EDEDRP
CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2cnc3c(C#N)cnn3c2)CC1	ZINC000566068741	306397651	/nfs/dbraw/zinc/39/76/51/306397651.db2.gz	AMDVNVZOGJBWHT-UHFFFAOYSA-N	2	0	341.463	1.107	20	30		EDEDRP
[NH2+]=C(NCCC[NH+]1CCCCCC1)N1CCN(c2ncccn2)CC1	ZINC000264076529	249332005	/nfs/dbraw/zinc/33/20/05/249332005.db2.gz	HLLULXGVAUXEIZ-UHFFFAOYSA-N	2	0	345.495	1.179	20	30		EDEDRP
CC1CCN(C(=[NH2+])NC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)CC1	ZINC000264079825	249332422	/nfs/dbraw/zinc/33/24/22/249332422.db2.gz	GYHVVCWCVZJUBR-GOSISDBHSA-N	2	0	330.476	1.452	20	30		EDEDRP
C=C(C)CN(CC)C(=O)CON=C(N)c1ccc(C[NH+](C)C)cc1	ZINC000267001058	249354372	/nfs/dbraw/zinc/35/43/72/249354372.db2.gz	HJMHSSMPXLZRLI-UHFFFAOYSA-N	2	0	332.448	1.810	20	30		EDEDRP
COc1ccc([C@@H]2CC[NH2+]C[C@H]2NC(=O)[C@@H]([NH3+])CCCC#N)cc1	ZINC000424154637	252146663	/nfs/dbraw/zinc/14/66/63/252146663.db2.gz	MSHOMHAMWWZWBY-YESZJQIVSA-N	2	0	330.432	1.278	20	30		EDEDRP
C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2cc(C)cc(C[NH3+])c2)CC1	ZINC000424444998	252233999	/nfs/dbraw/zinc/23/39/99/252233999.db2.gz	DYQHZBRKHAKBTP-UHFFFAOYSA-N	2	0	344.459	1.549	20	30		EDEDRP
C#CCN1CCN(C(=O)CN[C@H](CC)c2ccc(F)cc2F)CC1	ZINC000490922162	255109176	/nfs/dbraw/zinc/10/91/76/255109176.db2.gz	BXPOXXLHOBJZJE-QGZVFWFLSA-N	2	0	335.398	1.783	20	30		EDEDRP
C[NH+]1CCC(C[NH2+]Cc2cccc(C#N)c2)(N2CCOCC2)CC1	ZINC000520760458	267331993	/nfs/dbraw/zinc/33/19/93/267331993.db2.gz	NHKYXRVUKMPTSU-UHFFFAOYSA-N	2	0	328.460	1.444	20	30		EDEDRP
CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccc(C#N)n1C	ZINC000448855364	269655208	/nfs/dbraw/zinc/65/52/08/269655208.db2.gz	YDBUZMTVAKUNLB-MRXNPFEDSA-N	2	0	331.464	1.385	20	30		EDEDRP
[NH2+]=C(NCCCC[NH+]1CCOCC1)N[C@@H]1CCOc2ccccc21	ZINC000083031806	441347882	/nfs/dbraw/zinc/34/78/82/441347882.db2.gz	LKZSZPKNVBAUIV-MRXNPFEDSA-N	2	0	332.448	1.527	20	30		EDEDRP
CC[C@@H](C)NC(=[NH2+])NCCC[NH+]1CCN(c2ccc(OC)cc2)CC1	ZINC000122459629	441850845	/nfs/dbraw/zinc/85/08/45/441850845.db2.gz	NBUQZJDLSGXKSI-MRXNPFEDSA-N	2	0	347.507	1.910	20	30		EDEDRP
C[NH+]=C(NCCn1cnc2ccccc21)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C	ZINC000261942098	443174425	/nfs/dbraw/zinc/17/44/25/443174425.db2.gz	DSNPGYRXYZOZLR-RDJZCZTQSA-N	2	0	342.491	1.930	20	30		EDEDRP
C[NH+]=C(NC[C@@H](O)c1ccccc1OC)N1CC[C@H]([NH+]2CC=CC2)C1	ZINC000262812483	443213400	/nfs/dbraw/zinc/21/34/00/443213400.db2.gz	VPIMWQORSOEYRA-DOTOQJQBSA-N	2	0	344.459	1.250	20	30		EDEDRP
C[NH+]=C(NC[C@@H]1C[NH+]2CCN1CC2)N[C@@H](C)c1cc2ccccc2o1	ZINC000262824524	443214055	/nfs/dbraw/zinc/21/40/55/443214055.db2.gz	ZKPBCWXFOYQTDG-GOEBONIOSA-N	2	0	341.459	1.659	20	30		EDEDRP
CC(C)N1CCC([NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)CC1	ZINC000387313001	319131668	/nfs/dbraw/zinc/13/16/68/319131668.db2.gz	AOFROHXUEXVDPP-UHFFFAOYSA-N	2	0	335.473	1.794	20	30		EDEDRP
CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCc1cccc(C(=O)N(C)C)c1	ZINC000267461436	443465740	/nfs/dbraw/zinc/46/57/40/443465740.db2.gz	VGLDQKTYLUCSLA-KRWDZBQOSA-N	2	0	345.491	1.320	20	30		EDEDRP
Cc1cc(C#N)nc(NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)n1	ZINC000286057794	443636900	/nfs/dbraw/zinc/63/69/00/443636900.db2.gz	CIWYAIAQASFSLN-UHFFFAOYSA-N	2	0	337.431	1.676	20	30		EDEDRP
C[C@@H](CC[NH+](C)C)NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1	ZINC000299360550	444026949	/nfs/dbraw/zinc/02/69/49/444026949.db2.gz	JWYGPIBSIWLNPW-INIZCTEOSA-N	2	0	345.491	1.972	20	30		EDEDRP
C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@@H]([NH3+])CCC(=O)OC)C(C)C	ZINC000290088834	444240975	/nfs/dbraw/zinc/24/09/75/444240975.db2.gz	WZHHYIKKZKEFHV-GJZGRUSLSA-N	2	0	325.453	1.082	20	30		EDEDRP
CC1CC[NH+](CC(=O)NC2CC[NH+]([C@@H]3CCN(C)C3=O)CC2)CC1	ZINC000329165959	444488930	/nfs/dbraw/zinc/48/89/30/444488930.db2.gz	HUDZIHVTLVQWAT-MRXNPFEDSA-N	2	0	336.480	1.370	20	30		EDEDRP
C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](CCOCCC#N)CC1	ZINC000339001444	444979775	/nfs/dbraw/zinc/97/97/75/444979775.db2.gz	GELOBCBIOGIBMR-UHFFFAOYSA-N	2	0	338.496	1.333	20	30		EDEDRP
C[NH+](C)CCC1CC[NH+](CC(=O)NCc2cccc(C#N)c2)CC1	ZINC000348867411	445423047	/nfs/dbraw/zinc/42/30/47/445423047.db2.gz	PFGZODBMXCQHOU-UHFFFAOYSA-N	2	0	328.460	1.838	20	30		EDEDRP
COc1cc(CNCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)ccc1C#N	ZINC000440821480	446855314	/nfs/dbraw/zinc/85/53/14/446855314.db2.gz	IZFYYBYYXNOECT-MRXNPFEDSA-N	2	0	330.432	1.244	20	30		EDEDRP
C#CCNC(=O)CC[N@@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1	ZINC000491495319	448045677	/nfs/dbraw/zinc/04/56/77/448045677.db2.gz	IKXMJXIZGOCVIF-RTBURBONSA-N	2	0	325.456	1.580	20	30		EDEDRP
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NC[C@H]1CCCC[NH2+]1	ZINC000591358629	448341269	/nfs/dbraw/zinc/34/12/69/448341269.db2.gz	OEQZLGWNKIUUAG-GOSISDBHSA-N	2	0	343.475	1.774	20	30		EDEDRP
C[C@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)C1=CCN(C)CC1	ZINC000578620073	448594491	/nfs/dbraw/zinc/59/44/91/448594491.db2.gz	MMBWTEIFCMXOJR-AWEZNQCLSA-N	2	0	333.457	1.572	20	30		EDEDRP
N#Cc1ccc(N2CCC([NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@@H]4C3)CC2)nc1	ZINC000592471011	448851175	/nfs/dbraw/zinc/85/11/75/448851175.db2.gz	RNOWDZRBANWPNU-XYJFISCASA-N	2	0	325.460	1.900	20	30		EDEDRP
CCC[NH2+]CCNC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000593714414	449157165	/nfs/dbraw/zinc/15/71/65/449157165.db2.gz	VJFUYNSNZDGSDD-UHFFFAOYSA-N	2	0	343.475	1.821	20	30		EDEDRP
C[C@H](C[C@H](C)[NH3+])NC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000593715185	449158240	/nfs/dbraw/zinc/15/82/40/449158240.db2.gz	IJTBIICAAXSWHX-LSDHHAIUSA-N	2	0	343.475	1.948	20	30		EDEDRP
C[NH+]1CCN(Cc2ccc(C[NH2+]C[C@H](O)CC(C)(C)C#N)cc2)CC1	ZINC000598715984	449560070	/nfs/dbraw/zinc/56/00/70/449560070.db2.gz	XAWZMVGGVRTLEB-LJQANCHMSA-N	2	0	344.503	1.824	20	30		EDEDRP
CC(C)[C@@H](C[NH2+][C@H](C)CC1(C#N)CCOCC1)N1CC[NH+](C)CC1	ZINC000602509846	449638741	/nfs/dbraw/zinc/63/87/41/449638741.db2.gz	GURFFVMCFIOACH-QZTJIDSGSA-N	2	0	336.524	1.947	20	30		EDEDRP
N#Cc1ccc(CN2CCC([NH2+]CCN3CC[C@@H](O)C3)CC2)cc1	ZINC000599011035	449697645	/nfs/dbraw/zinc/69/76/45/449697645.db2.gz	XAKUVIMQALTVIM-LJQANCHMSA-N	2	0	328.460	1.179	20	30		EDEDRP
C[NH+](C)CCCN(CCC[NH+](C)C)c1cc(C#N)nc(C2CC2)n1	ZINC000601124085	449703399	/nfs/dbraw/zinc/70/33/99/449703399.db2.gz	MLJCDNFDNNSZHK-UHFFFAOYSA-N	2	0	330.480	1.935	20	30		EDEDRP
O[C@]1(C2CC2)CCC[NH+](CC#CC[N@H+]2CCC[C@](O)(C3CC3)C2)C1	ZINC000661627950	452446619	/nfs/dbraw/zinc/44/66/19/452446619.db2.gz	SFDQLBVZNOVNMG-WOJBJXKFSA-N	2	0	332.488	1.464	20	30		EDEDRP
C=CC[C@@]1(C(=O)N2CCC(OCC[NH+]3CCCC3)CC2)CCC[NH2+]1	ZINC000662747340	453476680	/nfs/dbraw/zinc/47/66/80/453476680.db2.gz	TWQHYTGUJCZKAE-IBGZPJMESA-N	2	0	335.492	1.788	20	30		EDEDRP
C=CC[C@]1(C(=O)NCC2CC[NH+](C3CCOCC3)CC2)CCC[NH2+]1	ZINC000662846793	453568335	/nfs/dbraw/zinc/56/83/35/453568335.db2.gz	QVEPYHAZOWYUPM-LJQANCHMSA-N	2	0	335.492	1.692	20	30		EDEDRP
COc1ccc(NC(=[NH2+])NC[C@H](C)C[NH+]2CCN(C)CC2)cc1OC	ZINC000104174580	533992926	/nfs/dbraw/zinc/99/29/26/533992926.db2.gz	DXKHQEOMZTVOPI-AWEZNQCLSA-N	2	0	349.479	1.314	20	30		EDEDRP
CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1cnn(Cc2ccccc2)c1	ZINC000264104120	535549471	/nfs/dbraw/zinc/54/94/71/535549471.db2.gz	OYHBVWKWOOZUOR-GOSISDBHSA-N	2	0	340.475	1.820	20	30		EDEDRP
CCN(Cc1ccccc1)C(=O)CNC(=[NH2+])NC[C@H]1CCC[N@@H+]1CC	ZINC000264074426	535787674	/nfs/dbraw/zinc/78/76/74/535787674.db2.gz	FEBDNLDEXSYDLZ-QGZVFWFLSA-N	2	0	345.491	1.424	20	30		EDEDRP
C#CCN1CCC[C@H]1C(=O)N1CCC[N@H+](Cc2ccccc2)CC1	ZINC000730275253	578638295	/nfs/dbraw/zinc/63/82/95/578638295.db2.gz	ZVCNGXVRGLVUQD-IBGZPJMESA-N	2	0	325.456	1.819	20	30		EDEDRP
C[NH+](C)CCOc1ccc(C=NNC2=[NH+][C@@H]3CCCC[C@@H]3N2)cc1	ZINC000753941055	579891789	/nfs/dbraw/zinc/89/17/89/579891789.db2.gz	WMMLMFHUJIUYGO-CALCHBBNSA-N	2	0	329.448	1.821	20	30		EDEDRP
C#CC[NH+]1CCC(Nc2nc3c(cnn3C(C)(C)C)c(N)n2)CC1	ZINC000895810537	591274736	/nfs/dbraw/zinc/27/47/36/591274736.db2.gz	FOBCPFRYUKNCPW-UHFFFAOYSA-N	2	0	327.436	1.673	20	30		EDEDRP
C=C(CC[NH+](C)C)C(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C	ZINC000908106591	592323180	/nfs/dbraw/zinc/32/31/80/592323180.db2.gz	MHZCRCHATJQRLU-DOTOQJQBSA-N	2	0	333.480	1.427	20	30		EDEDRP
CC(C)(CNC(=O)C#CC1CC[NH2+]CC1)[N@@H+]1CCc2ccccc2C1	ZINC000852858686	595579765	/nfs/dbraw/zinc/57/97/65/595579765.db2.gz	GYYCNMPOFKZOPD-UHFFFAOYSA-N	2	0	339.483	1.943	20	30		EDEDRP
C[N@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)C#CC2CC[NH2+]CC2)C1	ZINC000852907086	595609271	/nfs/dbraw/zinc/60/92/71/595609271.db2.gz	CRGOTIMDSRTZFZ-HXUWFJFHSA-N	2	0	339.483	1.765	20	30		EDEDRP
Cn1cncc1CCO[NH+]=C(N)c1ccc(N2CCC(O)CC2)cc1	ZINC000853673114	595851968	/nfs/dbraw/zinc/85/19/68/595851968.db2.gz	QKUCIAVPCQXLGI-UHFFFAOYSA-N	2	0	343.431	1.261	20	30		EDEDRP
CC[NH+]1CCN([C@H](C)C[NH2+]Cc2cnc3ccc(C#N)cn23)CC1	ZINC000123295753	596337146	/nfs/dbraw/zinc/33/71/46/596337146.db2.gz	WICRWGGUFDRUGL-OAHLLOKOSA-N	2	0	326.448	1.322	20	30		EDEDRP
C[C@@H](C[NH2+]Cc1cc(C#N)ccc1N(C)C)CN1CC[NH+](C)CC1	ZINC000865449357	596578343	/nfs/dbraw/zinc/57/83/43/596578343.db2.gz	USUYQOSGUCPVQU-INIZCTEOSA-N	2	0	329.492	1.597	20	30		EDEDRP
N#Cc1ccccc1N1CCC([NH2+]C[C@@H](O)C[NH+]2CCCC2)CC1	ZINC000872222602	596841934	/nfs/dbraw/zinc/84/19/34/596841934.db2.gz	YDRAHKNZBNORGV-GOSISDBHSA-N	2	0	328.460	1.573	20	30		EDEDRP
C[NH+](C)CC1CCN(C(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)CC1	ZINC000876725838	597307857	/nfs/dbraw/zinc/30/78/57/597307857.db2.gz	ZHTLKQSCNNNJIO-SFHVURJKSA-N	2	0	326.444	1.545	20	30		EDEDRP
C=C(C)C[NH+]1CCC(NC(=O)N[C@H]2CC[N@H+](CC(C)(C)O)C2)CC1	ZINC000875245607	597350775	/nfs/dbraw/zinc/35/07/75/597350775.db2.gz	AGRDFJINPYHECZ-INIZCTEOSA-N	2	0	338.496	1.171	20	30		EDEDRP
C#CC[NH+]1CCC(NC(=O)NCC[N@@H+](C)Cc2ccccc2)CC1	ZINC000914332689	695365145	/nfs/dbraw/zinc/36/51/45/695365145.db2.gz	CHHSHOBDPVDQEC-UHFFFAOYSA-N	2	0	328.460	1.515	20	30		EDEDRP
C[C@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1[NH2+]Cc1ccccc1C#N	ZINC000939064032	699131205	/nfs/dbraw/zinc/13/12/05/699131205.db2.gz	PSUXPUOEXCCDGU-KXBFYZLASA-N	2	0	340.471	1.837	20	30		EDEDRP
C=C(C)C[NH2+][C@H]1CN(C(=O)c2cc(CN3CCCC3)on2)C[C@H]1C	ZINC000939148406	699251194	/nfs/dbraw/zinc/25/11/94/699251194.db2.gz	TZMNMYGUWZAWDH-PBHICJAKSA-N	2	0	332.448	1.897	20	30		EDEDRP
C=C(C)CC[NH+]1CC(CNC(=O)c2ccc(-n3ccnc3)cn2)C1	ZINC001032122885	701664132	/nfs/dbraw/zinc/66/41/32/701664132.db2.gz	FMMUFIAUNCQRHI-UHFFFAOYSA-N	2	0	325.416	1.895	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](C[C@H](C)OC)CC2(C)C)CC1	ZINC000941238683	701429023	/nfs/dbraw/zinc/42/90/23/701429023.db2.gz	ZWWAPRVGVKCMHV-FUHWJXTLSA-N	2	0	349.519	1.583	20	30		EDEDRP
CC1(C)CN(C(=O)C[NH+]2CCCC2)C[C@@H]1[NH2+]Cc1ccc(C#N)cc1	ZINC000996612814	702917670	/nfs/dbraw/zinc/91/76/70/702917670.db2.gz	RQOBRUUCZHZUAT-SFHVURJKSA-N	2	0	340.471	1.981	20	30		EDEDRP
C=C(Br)C[NH2+]C1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)CC1	ZINC000996675182	702974406	/nfs/dbraw/zinc/97/44/06/702974406.db2.gz	FLYFNXWWDNMQFW-CQSZACIVSA-N	2	0	344.297	1.816	20	30		EDEDRP
C[C@H]1C[N@H+](C)C[C@H]1C(=O)N1CCC([NH2+]Cc2ccc(C#N)cc2)CC1	ZINC000997008464	703266580	/nfs/dbraw/zinc/26/65/80/703266580.db2.gz	MMNOQISOKLZLKT-HNAYVOBHSA-N	2	0	340.471	1.837	20	30		EDEDRP
C=C(Br)C[NH2+]C1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1	ZINC000997297955	703556122	/nfs/dbraw/zinc/55/61/22/703556122.db2.gz	HSIDRWVPRSLNDN-LBPRGKRZSA-N	2	0	330.270	1.427	20	30		EDEDRP
C=C(C)C[N@H+]1CCC[C@@]2(CCN(C(=O)COC3CC[NH+](C)CC3)C2)C1	ZINC001040476033	705599766	/nfs/dbraw/zinc/59/97/66/705599766.db2.gz	SUFFCNLNGPFVDC-HXUWFJFHSA-N	2	0	349.519	1.988	20	30		EDEDRP
C#CC[NH2+][C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)CC[C@@H]1C(F)(F)F	ZINC000998305986	705710286	/nfs/dbraw/zinc/71/02/86/705710286.db2.gz	UMOYNOUUXJNFTI-QWHCGFSZSA-N	2	0	329.366	1.084	20	30		EDEDRP
C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2cc(C#N)ccc2F)C1	ZINC000998720141	706152500	/nfs/dbraw/zinc/15/25/00/706152500.db2.gz	IIAMQOYNOCFIIZ-WMZOPIPTSA-N	2	0	344.434	1.872	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)N(C)C2CC([NH2+]Cc3cscn3)C2)CC1	ZINC000999877092	707525844	/nfs/dbraw/zinc/52/58/44/707525844.db2.gz	YVLYYJFTWFXXAZ-UHFFFAOYSA-N	2	0	346.500	1.567	20	30		EDEDRP
C#CCC[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1	ZINC001033442660	707874380	/nfs/dbraw/zinc/87/43/80/707874380.db2.gz	PZEPIQDVEMNOOU-AQNXPRMDSA-N	2	0	339.483	1.888	20	30		EDEDRP
C#CCC[NH+]1CCC(CNC(=O)C2CC[NH+](CC3CC3)CC2)CC1	ZINC001002030223	708551462	/nfs/dbraw/zinc/55/14/62/708551462.db2.gz	OLSYJOFCNMAMGW-UHFFFAOYSA-N	2	0	331.504	1.960	20	30		EDEDRP
C=C(C)CC[NH+]1CCC(N(C)C(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)CC1	ZINC001005741516	711315756	/nfs/dbraw/zinc/31/57/56/711315756.db2.gz	MAUYDBNXGCLEHU-KGXSXCIVSA-N	2	0	347.503	1.739	20	30		EDEDRP
C[NH+](C)[C@H](C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(C#N)cc1)C1CC1	ZINC001034959557	711434746	/nfs/dbraw/zinc/43/47/46/711434746.db2.gz	BXIAJQIFEUKTRU-MOPGFXCFSA-N	2	0	340.471	1.979	20	30		EDEDRP
CN1CC[N@H+](C)C[C@@H]1CNC(=O)NCC1([NH+](C)C)CCCCC1	ZINC000329484519	539438678	/nfs/dbraw/zinc/43/86/78/539438678.db2.gz	QMUZCQQPSRIMRW-HNNXBMFYSA-N	2	0	325.501	1.000	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)N[C@H](C)C[N@H+](C)Cc2ccccc2)CC1	ZINC000179720974	201031851	/nfs/dbraw/zinc/03/18/51/201031851.db2.gz	BXCVDYHTLUFUDG-QGZVFWFLSA-N	2	0	327.472	1.968	20	30		EDEDRP
C[NH+]=C(NCc1nccn1CC(C)C)N1CC[C@H]([NH+]2CC=CC2)C1	ZINC000262651838	249321530	/nfs/dbraw/zinc/32/15/30/249321530.db2.gz	JQSGUYXMKJETQL-INIZCTEOSA-N	2	0	330.480	1.561	20	30		EDEDRP
COc1ccccc1[C@H](CNC(=O)[C@H]([NH3+])CCCC#N)[NH+]1CCCC1	ZINC000424135026	252135731	/nfs/dbraw/zinc/13/57/31/252135731.db2.gz	LTILZZBEFZJJGY-SJORKVTESA-N	2	0	344.459	1.969	20	30		EDEDRP
C[NH+](C)C1CCN(CC[NH2+][C@@H]2CCC[C@@H]3O[C@H](CC#N)C[C@H]32)CC1	ZINC000373193294	289068949	/nfs/dbraw/zinc/06/89/49/289068949.db2.gz	XHTLXCRTYHRWAI-HCXYKTFWSA-N	2	0	334.508	1.842	20	30		EDEDRP
[NH2+]=C(NCCN1CC[NH+](Cc2ccccc2)CC1)Nc1ccccn1	ZINC000170906525	442286830	/nfs/dbraw/zinc/28/68/30/442286830.db2.gz	QWWRXOXPLDSUKY-UHFFFAOYSA-N	2	0	338.459	1.626	20	30		EDEDRP
COc1ccccc1CNC(=[NH2+])NCCC[NH+]1C[C@@H](C)O[C@H](C)C1	ZINC000170909997	442287304	/nfs/dbraw/zinc/28/73/04/442287304.db2.gz	ITUPKWKIRWZTFX-HUUCEWRRSA-N	2	0	334.464	1.599	20	30		EDEDRP
C#CC[NH+](CC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1)C1CCCC1	ZINC000155841259	442431528	/nfs/dbraw/zinc/43/15/28/442431528.db2.gz	STPTXZMHHTVDTM-SFHVURJKSA-N	2	0	335.492	1.337	20	30		EDEDRP
CN(CC[N@H+](C)C[C@H](O)c1ccc(C#N)cc1)C1CC[NH+](C)CC1	ZINC000180963556	442672217	/nfs/dbraw/zinc/67/22/17/442672217.db2.gz	NNLKTMLBOFBHIS-IBGZPJMESA-N	2	0	330.476	1.549	20	30		EDEDRP
C[NH+]=C(NCC(=O)Nc1cccc(F)c1)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C	ZINC000261954539	443175714	/nfs/dbraw/zinc/17/57/14/443175714.db2.gz	IIRYOZWGBCHUGX-BLLLJJGKSA-N	2	0	347.438	1.412	20	30		EDEDRP
C[NH+]=C(NC[C@@H](O)c1ccc(Cl)cc1)N1CC[C@@H]([NH+]2CC=CC2)C1	ZINC000262776381	443211941	/nfs/dbraw/zinc/21/19/41/443211941.db2.gz	JKWPFOHVWJPAPA-IAGOWNOFSA-N	2	0	348.878	1.895	20	30		EDEDRP
CC[NH+]1CCN(Cc2ccc(CNC(=[NH2+])N[C@@H](C)COC)cc2)CC1	ZINC000264063398	443247380	/nfs/dbraw/zinc/24/73/80/443247380.db2.gz	ACUJNGKUHTZQEP-INIZCTEOSA-N	2	0	347.507	1.263	20	30		EDEDRP
C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CC[C@H](N2CC[NH+](CC)CC2)C1	ZINC000245938266	443258386	/nfs/dbraw/zinc/25/83/86/443258386.db2.gz	TYKPVUQHZIBPPI-MSOLQXFVSA-N	2	0	336.524	1.511	20	30		EDEDRP
COC(=O)c1coc(CON=C(N)c2ccc(C[NH+](C)C)cc2)c1	ZINC000267017302	443313939	/nfs/dbraw/zinc/31/39/39/443313939.db2.gz	PHYNSZIVUXRLQR-UHFFFAOYSA-N	2	0	331.372	1.965	20	30		EDEDRP
CN(C(=[NH2+])NCCCC[NH+]1CCN(c2ccccc2)CC1)C1CC1	ZINC000273353350	443567378	/nfs/dbraw/zinc/56/73/78/443567378.db2.gz	QRAQPQZLFAFONF-UHFFFAOYSA-N	2	0	329.492	1.998	20	30		EDEDRP
C#CC[N@@H+](C)CCCNC(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C	ZINC000296559031	444238537	/nfs/dbraw/zinc/23/85/37/444238537.db2.gz	WSWIYVHHLZBDSC-QGZVFWFLSA-N	2	0	334.439	1.683	20	30		EDEDRP
C[NH+](C)CCNC(=O)C1CC[NH+](Cc2ccc(CC#N)cc2)CC1	ZINC000342712690	444828663	/nfs/dbraw/zinc/82/86/63/444828663.db2.gz	AFFFEDTWHQYSMY-UHFFFAOYSA-N	2	0	328.460	1.642	20	30		EDEDRP
CC(C)[NH+]1CCN(C(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)CC1	ZINC000330238456	444901673	/nfs/dbraw/zinc/90/16/73/444901673.db2.gz	VFDDOWVKVFJVET-IAGOWNOFSA-N	2	0	338.496	1.304	20	30		EDEDRP
COCC[N@@H+]1CC[C@H](NC(=O)NC2CC[NH+](C(C)(C)C)CC2)C1	ZINC000330849378	445165410	/nfs/dbraw/zinc/16/54/10/445165410.db2.gz	PYDGTIXKFHVEBI-HNNXBMFYSA-N	2	0	326.485	1.474	20	30		EDEDRP
CC#CCN(C)CC(=O)N1CCC[N@@H+](Cc2ccc(OC)cc2)CC1	ZINC000339755086	445166986	/nfs/dbraw/zinc/16/69/86/445166986.db2.gz	VFCJXCHVLBXEOV-UHFFFAOYSA-N	2	0	343.471	1.685	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](C[C@H]3CCCO3)C[C@H]2C)CC1	ZINC000364547089	445931000	/nfs/dbraw/zinc/93/10/00/445931000.db2.gz	OVDIOYZMLKQAQX-BHIYHBOVSA-N	2	0	347.503	1.337	20	30		EDEDRP
CC[N@@H+]1CC[C@@H](N(C)CC(=O)NCc2ccc(C#N)cc2)C[C@H]1C	ZINC000354203833	445996923	/nfs/dbraw/zinc/99/69/23/445996923.db2.gz	CKTMRWDYHPBJTI-CRAIPNDOSA-N	2	0	328.460	1.979	20	30		EDEDRP
CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)c1ncc(C#N)cc1Cl	ZINC000432491214	446473974	/nfs/dbraw/zinc/47/39/74/446473974.db2.gz	BPNYMZAUPBLJRG-UHFFFAOYSA-N	2	0	349.866	1.705	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)N[C@@H]2[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CC1	ZINC000371254018	446717681	/nfs/dbraw/zinc/71/76/81/446717681.db2.gz	QTEVJOLRGAEJBZ-PMOLBWCYSA-N	2	0	337.467	1.578	20	30		EDEDRP
N#CCCC[C@@H]([NH3+])C(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1	ZINC000424187789	446862704	/nfs/dbraw/zinc/86/27/04/446862704.db2.gz	BJASWSIRWDQLCI-QGZVFWFLSA-N	3	0	343.475	1.117	20	30		EDEDRP
C#CCN1CCN(C(=O)C[NH2+][C@@H](C)c2cccc(NC(C)=O)c2)CC1	ZINC000490915046	447908657	/nfs/dbraw/zinc/90/86/57/447908657.db2.gz	LFTBTMHSUMYRCN-HNNXBMFYSA-N	2	0	342.443	1.073	20	30		EDEDRP
C#CC[NH+](C)CCCNC(=O)N1CC[N@H+](CCOC)[C@H](CCC)C1	ZINC000491370820	448005186	/nfs/dbraw/zinc/00/51/86/448005186.db2.gz	BGDVJRJOPKDOFR-QGZVFWFLSA-N	2	0	338.496	1.084	20	30		EDEDRP
C[N@@H+]1CC[C@@H](C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)C1	ZINC000540898786	448651069	/nfs/dbraw/zinc/65/10/69/448651069.db2.gz	MQPGSHUTZGDJQG-QGZVFWFLSA-N	2	0	326.444	1.613	20	30		EDEDRP
N#CCc1ccc(OC[C@@H](O)C[NH2+]C2CC[NH+](CC3CC3)CC2)cc1	ZINC000518758302	448706280	/nfs/dbraw/zinc/70/62/80/448706280.db2.gz	YQPSTPFZBFIPCU-IBGZPJMESA-N	2	0	343.471	1.956	20	30		EDEDRP
N#Cc1cccc(C[NH+]2CCC(NC(=O)N3CC[C@H]([NH3+])C3)CC2)c1	ZINC000593720362	449159615	/nfs/dbraw/zinc/15/96/15/449159615.db2.gz	KEHFJCFFKWBJFO-INIZCTEOSA-N	2	0	327.432	1.265	20	30		EDEDRP
CN1CC[NH+](CC2(C)CC[NH+](Cc3cccc(C#N)n3)CC2)CC1	ZINC000602610545	449703760	/nfs/dbraw/zinc/70/37/60/449703760.db2.gz	AXCOOFWQSGIELZ-UHFFFAOYSA-N	2	0	327.476	1.803	20	30		EDEDRP
CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Cc1ccc(C#N)nc1	ZINC000599248812	449829812	/nfs/dbraw/zinc/82/98/12/449829812.db2.gz	APGAFHTTYSHFME-GOSISDBHSA-N	2	0	343.475	1.370	20	30		EDEDRP
C=CC[NH+]1CCC(NC(=O)[C@H]([NH3+])[C@H](C)OCc2ccccc2)CC1	ZINC000638099814	451265354	/nfs/dbraw/zinc/26/53/54/451265354.db2.gz	JKNBSHKOOOBMME-MAUKXSAKSA-N	2	0	331.460	1.686	20	30		EDEDRP
C=CC[C@]1(C(=O)NCc2cccc(OCC[NH+](C)C)c2)CCC[NH2+]1	ZINC000662675914	453393851	/nfs/dbraw/zinc/39/38/51/453393851.db2.gz	QMOHBXMOYKEKOG-LJQANCHMSA-N	2	0	331.460	1.942	20	30		EDEDRP
C=CC[NH+]1CCC(NC(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)CC1	ZINC000660704794	453529494	/nfs/dbraw/zinc/52/94/94/453529494.db2.gz	QBWBLABLTGTOOV-KRWDZBQOSA-N	2	0	336.480	1.189	20	30		EDEDRP
C[C@H](CO)[C@@H]1CCCC[NH+]1CC#CC[N@H+]1CCCC[C@H]1[C@H](C)CO	ZINC000661440852	453818425	/nfs/dbraw/zinc/81/84/25/453818425.db2.gz	FIYIQVKGRZSGMD-ZRNYENFQSA-N	2	0	336.520	1.956	20	30		EDEDRP
N#CC1(C[C@@H](O)C[NH+]2CCN(c3cc[nH+]cc3)CC2)CCOCC1	ZINC000599313440	485644873	/nfs/dbraw/zinc/64/48/73/485644873.db2.gz	YUGZGVUGNFLGLW-QGZVFWFLSA-N	2	0	330.432	1.275	20	30		EDEDRP
CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1cccc(C(=O)N(C)C)c1	ZINC000264066421	535549747	/nfs/dbraw/zinc/54/97/47/535549747.db2.gz	BLLDEYQJVHXTRT-MRXNPFEDSA-N	2	0	331.464	1.277	20	30		EDEDRP
C=C(C[NH+](C)C)C(=O)N[C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1	ZINC000764474379	580121253	/nfs/dbraw/zinc/12/12/53/580121253.db2.gz	YZWXUEUSTPMPLV-HNNXBMFYSA-N	2	0	348.466	1.873	20	30		EDEDRP
C[C@@H]1[C@H](Nc2nc(N[C@@H]3CC[N@H+](C)[C@@H]3C)ccc2C#N)CC[NH+]1C	ZINC000895737756	591265044	/nfs/dbraw/zinc/26/50/44/591265044.db2.gz	YBJLIXBPUVOUBQ-RRCSTGOVSA-N	2	0	328.464	1.962	20	30		EDEDRP
C=C(CC[NH+](C)C)C(=O)N[C@H](CN1CC[NH+](C)CC1)c1ccccc1	ZINC000900541660	592051829	/nfs/dbraw/zinc/05/18/29/592051829.db2.gz	FWULRWFGGPAEFK-LJQANCHMSA-N	2	0	344.503	1.599	20	30		EDEDRP
COc1cc(C#N)ccc1CONC(=[NH2+])[C@H]1C[N@@H+]2CCC[C@H]2CO1	ZINC000902807105	592062905	/nfs/dbraw/zinc/06/29/05/592062905.db2.gz	ALDVWAYERVJAOM-GOEBONIOSA-N	2	0	330.388	1.429	20	30		EDEDRP
C=C[C@H](C)ONC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1	ZINC000845639755	595037110	/nfs/dbraw/zinc/03/71/10/595037110.db2.gz	DFMNWDYFHXZBIC-HNNXBMFYSA-N	2	0	333.436	1.399	20	30		EDEDRP
O=C(C#CC1CC[NH2+]CC1)NC1CC[NH+](CCc2ccccc2)CC1	ZINC000852857948	595578788	/nfs/dbraw/zinc/57/87/88/595578788.db2.gz	KUYRAHSXRWLBNA-UHFFFAOYSA-N	2	0	339.483	1.813	20	30		EDEDRP
Cc1ccc(CN2CCOCC2)cc1NC(=O)C#CC1CC[NH2+]CC1	ZINC000852871607	595590399	/nfs/dbraw/zinc/59/03/99/595590399.db2.gz	UXPLFTWITHLGFF-UHFFFAOYSA-N	2	0	341.455	1.769	20	30		EDEDRP
CC[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](CCOCCC#N)C2)ccn1	ZINC000856584913	596022675	/nfs/dbraw/zinc/02/26/75/596022675.db2.gz	UQUWSNSZWDGJKY-GOSISDBHSA-N	2	0	332.448	1.917	20	30		EDEDRP
C[NH2+]Cc1ccccc1CNC(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21	ZINC000876945871	597392804	/nfs/dbraw/zinc/39/28/04/597392804.db2.gz	LCDZCWJLCSYPTD-LJQANCHMSA-N	2	0	334.423	1.781	20	30		EDEDRP
C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1	ZINC000876965536	597400304	/nfs/dbraw/zinc/40/03/04/597400304.db2.gz	FUGOSWDKEJNTEX-RBSFLKMASA-N	2	0	325.815	1.857	20	30		EDEDRP
N#C[C@H]1C[NH2+]CC12CC(C(=O)Nc1ccc3c(c1)C[NH2+]CCO3)C2	ZINC000884291857	598057021	/nfs/dbraw/zinc/05/70/21/598057021.db2.gz	JSEQRQLHZVKDFX-FVRSWCFKSA-N	2	0	326.400	1.246	20	30		EDEDRP
N#C[C@@H]1C[NH2+]CC12CC(C(=O)NC[C@H]1CCC[N@H+](CC3CC3)C1)C2	ZINC000884421694	598100782	/nfs/dbraw/zinc/10/07/82/598100782.db2.gz	BNOSJPZUDZOIFN-FXQQTDPRSA-N	2	0	330.476	1.364	20	30		EDEDRP
CC[NH+]1CC[C@@H]1CNc1nc(NC[C@H]2CC[N@H+]2CC)ccc1C#N	ZINC000882959273	598117159	/nfs/dbraw/zinc/11/71/59/598117159.db2.gz	AAVBWIQFRBOJOS-HZPDHXFCSA-N	2	0	328.464	1.965	20	30		EDEDRP
C=CCC[N@@H+]1CC[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@H](C)C1	ZINC000943518461	698433615	/nfs/dbraw/zinc/43/36/15/698433615.db2.gz	SGMSDFMIERNDHS-WBVHZDCISA-N	2	0	333.480	1.461	20	30		EDEDRP
C[C@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1[NH2+]Cc1ccc(C#N)s1	ZINC000939053985	699114071	/nfs/dbraw/zinc/11/40/71/699114071.db2.gz	CGVRZKLHYAVISL-SUMWQHHRSA-N	2	0	346.500	1.898	20	30		EDEDRP
C[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1[NH2+]Cc1ccc(C#N)cc1	ZINC000939543895	699685068	/nfs/dbraw/zinc/68/50/68/699685068.db2.gz	GWSZIVILPOUGHE-YJBOKZPZSA-N	2	0	338.455	1.591	20	30		EDEDRP
C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1[NH2+]Cc1ccccc1C#N	ZINC000939757416	699924438	/nfs/dbraw/zinc/92/44/38/699924438.db2.gz	YFOPZUKURREEJV-QAPCUYQASA-N	2	0	326.444	1.591	20	30		EDEDRP
CC#CC[N@@H+]1CC[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C(C)(C)C1	ZINC000941091519	701135135	/nfs/dbraw/zinc/13/51/35/701135135.db2.gz	VRDBMAGMKVMKDY-KRWDZBQOSA-N	2	0	345.491	1.298	20	30		EDEDRP
C=CC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1	ZINC000999192877	706626068	/nfs/dbraw/zinc/62/60/68/706626068.db2.gz	IOQSVKRPLMSSOG-KSZLIROESA-N	2	0	335.492	1.500	20	30		EDEDRP
C[C@@H]1[C@H](C(=O)N2CCC[C@@H]([NH2+]Cc3ccccc3C#N)C2)CC[N@@H+]1C	ZINC000999189833	706632039	/nfs/dbraw/zinc/63/20/39/706632039.db2.gz	NGEOJUJRMGOYLI-ATZDWAIDSA-N	2	0	340.471	1.979	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)NCC2C[NH+](CCCC3CCC3)C2)CC1	ZINC001032207448	702190941	/nfs/dbraw/zinc/19/09/41/702190941.db2.gz	ROLZUXZMDXEMPR-UHFFFAOYSA-N	2	0	331.504	1.960	20	30		EDEDRP
C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H]([NH2+]Cc3ccccc3C#N)C(C)(C)C2)C1	ZINC000996618512	702925173	/nfs/dbraw/zinc/92/51/73/702925173.db2.gz	XLJZAZWHPWRRJM-QZTJIDSGSA-N	2	0	340.471	1.837	20	30		EDEDRP
CC#CCN1CC[NH+](C2CCC(NC(=O)[C@@H]3CCC[N@@H+]3C)CC2)CC1	ZINC000996766316	703057970	/nfs/dbraw/zinc/05/79/70/703057970.db2.gz	PTUNZDPGMJLPJZ-ACBHZAAOSA-N	2	0	346.519	1.149	20	30		EDEDRP
C=C(Br)C[NH2+]C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@H]2C)CC1	ZINC000997003520	703267480	/nfs/dbraw/zinc/26/74/80/703267480.db2.gz	AIYGTTCUDWTRNP-RISCZKNCSA-N	2	0	344.297	1.673	20	30		EDEDRP
CC(C)[NH+]=C(NCC(=O)N(C)C)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1	ZINC000185545947	704009167	/nfs/dbraw/zinc/00/91/67/704009167.db2.gz	IUMBLWFROVKPKW-NVXWUHKLSA-N	2	0	349.523	1.377	20	30		EDEDRP
C[N@@H+]1CC[C@H](C(=O)N2CCC(C[NH2+]Cc3cccc(C#N)c3)CC2)C1	ZINC000998274133	705654779	/nfs/dbraw/zinc/65/47/79/705654779.db2.gz	RHFVOKGWZNHNHP-IBGZPJMESA-N	2	0	340.471	1.838	20	30		EDEDRP
CN(C(=O)[C@@H]1CCC[N@@H+]1C)C1CC([NH2+]Cc2ccc(C#N)cc2)C1	ZINC000998554577	705989024	/nfs/dbraw/zinc/98/90/24/705989024.db2.gz	YYPKCVPHZDVYCA-ABHNRTSZSA-N	2	0	326.444	1.731	20	30		EDEDRP
C[NH+](C)[C@@H](C(=O)N1CCC[C@H]([NH2+]Cc2ccccc2C#N)C1)C1CC1	ZINC000999372149	706886611	/nfs/dbraw/zinc/88/66/11/706886611.db2.gz	OGTMFXVQRJJPDF-RBUKOAKNSA-N	2	0	340.471	1.979	20	30		EDEDRP
C=C(Br)C[NH2+]C1CC(N(C)C(=O)C[C@H]2CC[N@H+](C)C2)C1	ZINC000999682701	707168636	/nfs/dbraw/zinc/16/86/36/707168636.db2.gz	SPMGDMMBQBKQBJ-IYXRBSQSSA-N	2	0	344.297	1.816	20	30		EDEDRP
CN(C(=O)C[NH+]1CCCC1)C1CC([NH2+]Cc2cc(C#N)ccc2F)C1	ZINC000999832744	707464049	/nfs/dbraw/zinc/46/40/49/707464049.db2.gz	HPFBQJTWIZDEPI-UHFFFAOYSA-N	2	0	344.434	1.872	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CC[C@@H]2CCCO2)CC1	ZINC001032800219	708080639	/nfs/dbraw/zinc/08/06/39/708080639.db2.gz	BBGSLKLRPNXFES-FHWLQOOXSA-N	2	0	345.487	1.186	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)N(C)[C@H]2CC[N@H+](CC3CCOCC3)C2)CC1	ZINC001033683159	708494818	/nfs/dbraw/zinc/49/48/18/708494818.db2.gz	FXFRQCAMWXOPLN-IBGZPJMESA-N	2	0	347.503	1.291	20	30		EDEDRP
C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@@H]1C[N@@H+]2CCN1CCC2)C(C)C	ZINC000343172361	250011109	/nfs/dbraw/zinc/01/11/09/250011109.db2.gz	SCXSGUIUUZOEEZ-ROUUACIJSA-N	2	0	334.508	1.191	20	30		EDEDRP
C#CC[N@@H+](C)CCCNC(=[NH2+])NCCc1ccc(OC)c(OC)c1	ZINC000491634253	255135404	/nfs/dbraw/zinc/13/54/04/255135404.db2.gz	QNTPBJOXSKPNFJ-UHFFFAOYSA-N	2	0	332.448	1.315	20	30		EDEDRP
N#Cc1ccc(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)cc1	ZINC000299539609	268031781	/nfs/dbraw/zinc/03/17/81/268031781.db2.gz	ISUJZEAYUNFJBJ-UHFFFAOYSA-N	2	0	349.438	1.895	20	30		EDEDRP
CCOC(=O)N1CCC(NC(=[NH2+])NCC[N@H+](CC)C(C)C)CC1	ZINC000104191581	441190707	/nfs/dbraw/zinc/19/07/07/441190707.db2.gz	YAHNDPCZTJGNMF-UHFFFAOYSA-N	2	0	327.473	1.242	20	30		EDEDRP
COc1ccc(C[NH2+]CC2(O)CC[NH+](C)CC2)cc1OCCCC#N	ZINC000077450565	441782032	/nfs/dbraw/zinc/78/20/32/441782032.db2.gz	MFAGVABTMBWNIY-UHFFFAOYSA-N	2	0	347.459	1.924	20	30		EDEDRP
CN(C)C(=[NH2+])NCc1cccc(OCC[N@H+](C)C2CCOCC2)c1	ZINC000170914818	442288175	/nfs/dbraw/zinc/28/81/75/442288175.db2.gz	RKDWMHSFNOIDMS-UHFFFAOYSA-N	2	0	334.464	1.553	20	30		EDEDRP
C[NH+]=C(NC[C@H]1C[NH+]2CCN1CC2)N(C)Cc1ccc(Cl)s1	ZINC000262809683	443212973	/nfs/dbraw/zinc/21/29/73/443212973.db2.gz	UUZKRFSXMNRXGQ-LBPRGKRZSA-N	2	0	341.912	1.409	20	30		EDEDRP
CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(N2CCCCC2)nc1	ZINC000264133141	443251896	/nfs/dbraw/zinc/25/18/96/443251896.db2.gz	UOUQPMXDPDHFCF-QGZVFWFLSA-N	2	0	344.507	1.961	20	30		EDEDRP
CC[N@@H+]1CCCC[C@@H]1CNC(=[NH2+])NCc1ccc(OC)c(OC)c1	ZINC000267430404	443455213	/nfs/dbraw/zinc/45/52/13/443455213.db2.gz	MLIBRBMAPSOCFQ-OAHLLOKOSA-N	2	0	334.464	1.983	20	30		EDEDRP
C#CC[N@H+](C)CCCNC(=O)[C@@H]1CCC[NH+](Cc2ccccc2)C1	ZINC000294103058	444102916	/nfs/dbraw/zinc/10/29/16/444102916.db2.gz	YJYLNXHFTLXRSP-LJQANCHMSA-N	2	0	327.472	1.970	20	30		EDEDRP
CC(C)(C)OC(=O)N1CCN(C(=[NH2+])NCCC[NH+]2CCCC2)CC1	ZINC000303788366	444237682	/nfs/dbraw/zinc/23/76/82/444237682.db2.gz	UGKQFYYZBKSDMQ-UHFFFAOYSA-N	2	0	339.484	1.340	20	30		EDEDRP
C[NH+](C)[C@@H]1CCN(C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)C1	ZINC000330892632	445184727	/nfs/dbraw/zinc/18/47/27/445184727.db2.gz	KSKOJYHPMUKALR-ZIAGYGMSSA-N	2	0	325.457	1.174	20	30		EDEDRP
C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2Cc1cnc2c(C#N)cnn2c1	ZINC000584113920	326202902	/nfs/dbraw/zinc/20/29/02/326202902.db2.gz	PPZCEELVPVCSDF-ZACQAIPSSA-N	2	0	340.431	1.284	20	30		EDEDRP
CC[NH+](CC)[C@H]1CCN(CC#CCN2CC[C@H]([NH+](CC)CC)C2)C1	ZINC000429692702	447754985	/nfs/dbraw/zinc/75/49/85/447754985.db2.gz	VSETUJVKFRKABM-PMACEKPBSA-N	2	0	334.552	1.822	20	30		EDEDRP
CC[C@H](C)[NH+]1CCN(CC#CCN2CC[NH+]([C@@H](C)CC)CC2)CC1	ZINC000451845259	447760059	/nfs/dbraw/zinc/76/00/59/447760059.db2.gz	PKIGISNCORQRIX-PMACEKPBSA-N	2	0	334.552	1.822	20	30		EDEDRP
C#CC[N@H+](C)CCCNC(=O)N1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1	ZINC000491805354	448133439	/nfs/dbraw/zinc/13/34/39/448133439.db2.gz	OECKXSSFTJOUJH-FUHWJXTLSA-N	2	0	332.492	1.600	20	30		EDEDRP
CC(C)[NH+]1CCC([NH2+]C[C@@H](O)COc2ccc(CC#N)cc2)CC1	ZINC000565298953	448364173	/nfs/dbraw/zinc/36/41/73/448364173.db2.gz	CLTLIUOCPLSTQC-GOSISDBHSA-N	2	0	331.460	1.955	20	30		EDEDRP
C[C@@H]1[NH2+]CC[C@H]1NC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000599923112	449110096	/nfs/dbraw/zinc/11/00/96/449110096.db2.gz	SXIJKKXSSSTZRV-KBXCAEBGSA-N	2	0	341.459	1.572	20	30		EDEDRP
CC[C@H]([NH3+])CNC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000593714876	449157241	/nfs/dbraw/zinc/15/72/41/449157241.db2.gz	FIJBXBRGSPPYLU-INIZCTEOSA-N	2	0	329.448	1.559	20	30		EDEDRP
COc1cc[nH+]c(N2CCN(C(=O)[C@H]([NH3+])CCCCC#N)CC2)c1	ZINC000594438840	449518062	/nfs/dbraw/zinc/51/80/62/449518062.db2.gz	PZYOHDGQABOCKO-OAHLLOKOSA-N	2	0	331.420	1.150	20	30		EDEDRP
C[NH+](C)C1(CNC(=O)[C@@H]([NH3+])CCCCC#N)Cc2ccccc2C1	ZINC000594439654	449518121	/nfs/dbraw/zinc/51/81/21/449518121.db2.gz	UCUUPAVAIDSSKJ-KRWDZBQOSA-N	2	0	328.460	1.613	20	30		EDEDRP
C=CC[NH+]1CCC(NC(=O)N2CCO[C@H](CCC[NH+](C)C)C2)CC1	ZINC000664021699	452723768	/nfs/dbraw/zinc/72/37/68/452723768.db2.gz	ZGQAKNYMLPNVDZ-QGZVFWFLSA-N	2	0	338.496	1.389	20	30		EDEDRP
COc1ccc(NC(=[NH2+])NC[C@@H](C)C[NH+]2CCN(C)CC2)cc1OC	ZINC000104174583	533989976	/nfs/dbraw/zinc/98/99/76/533989976.db2.gz	DXKHQEOMZTVOPI-CQSZACIVSA-N	2	0	349.479	1.314	20	30		EDEDRP
C[NH+](C)CCNC(=O)c1cccc(CNC(=[NH2+])NC2CCCCC2)c1	ZINC000264088021	535889448	/nfs/dbraw/zinc/88/94/48/535889448.db2.gz	KDNOKDXNSWWTNX-UHFFFAOYSA-N	2	0	345.491	1.715	20	30		EDEDRP
CC(C)(C)[C@H](Cn1ccnc1)[NH2+]C[C@@H]1CNc2c(C#N)cnn2C1	ZINC000731150873	578668671	/nfs/dbraw/zinc/66/86/71/578668671.db2.gz	JDUDYYHLYTURQC-HIFRSBDPSA-N	2	0	327.436	1.697	20	30		EDEDRP
C#CCNC(=O)C[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1	ZINC000762926542	580088226	/nfs/dbraw/zinc/08/82/26/580088226.db2.gz	KTGKTZWSHSZQBM-UHFFFAOYSA-N	2	0	325.456	1.724	20	30		EDEDRP
C=C(CC[NH+](C)C)C(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO	ZINC000907287204	592585136	/nfs/dbraw/zinc/58/51/36/592585136.db2.gz	HCIFCONJYNYLQP-LJQANCHMSA-N	2	0	345.487	1.767	20	30		EDEDRP
C#CCN1CCN(C(=O)CN(C)[C@H](CC)c2ccccc2OC)CC1	ZINC000805835639	593153000	/nfs/dbraw/zinc/15/30/00/593153000.db2.gz	PNNDMEJVWDQKHQ-GOSISDBHSA-N	2	0	343.471	1.856	20	30		EDEDRP
C#CC[N@@H+](C)CCCNC(=O)N1CCN(C)[C@@H](Cc2ccccc2)C1	ZINC000838621886	593197309	/nfs/dbraw/zinc/19/73/09/593197309.db2.gz	HZJKSCYBKGCOFP-IBGZPJMESA-N	2	0	342.487	1.510	20	30		EDEDRP
CN(C)C(=O)[C@@H]1CCCN1CCC[NH2+]C[C@@H](O)c1ccc(C#N)cc1	ZINC000818997898	593732936	/nfs/dbraw/zinc/73/29/36/593732936.db2.gz	NNOUEOXDEJKDKP-ZWKOTPCHSA-N	2	0	344.459	1.124	20	30		EDEDRP
O=C(C#CC1CC[NH2+]CC1)NCc1ccccc1C[NH+]1CCCC1	ZINC000852856983	595577847	/nfs/dbraw/zinc/57/78/47/595577847.db2.gz	HZGBHEACKKVMFX-UHFFFAOYSA-N	2	0	325.456	1.902	20	30		EDEDRP
N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N1CCc2ccccc2[C@@H]1C[NH3+]	ZINC000867981622	596644137	/nfs/dbraw/zinc/64/41/37/596644137.db2.gz	VHCNPZYCFLOSHM-PMACEKPBSA-N	2	0	346.434	1.830	20	30		EDEDRP
C=CCNC(=O)c1ccc(N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)nc1	ZINC000866012648	596757480	/nfs/dbraw/zinc/75/74/80/596757480.db2.gz	MGBBKODYOVIXFC-IAGOWNOFSA-N	2	0	345.491	1.173	20	30		EDEDRP
N#Cc1ccc(N2CC[NH+](Cc3ccc4c(c3)C[NH2+]CC4)CC2)cn1	ZINC000872146522	596810250	/nfs/dbraw/zinc/81/02/50/596810250.db2.gz	PPTAZKQNBHKZSG-UHFFFAOYSA-N	2	0	333.439	1.921	20	30		EDEDRP
CC(C)[NH+](CCO)Cc1cc(C#N)cc(C[N@@H+](CCO)C(C)C)c1	ZINC000877987382	597568160	/nfs/dbraw/zinc/56/81/60/597568160.db2.gz	FVUDACXAALNFKW-UHFFFAOYSA-N	2	0	333.476	1.964	20	30		EDEDRP
CC(C)(O)[C@H]1CCC[NH+](CC#CC[N@H+]2CCC[C@H](C(C)(C)O)C2)C1	ZINC000879963242	597786286	/nfs/dbraw/zinc/78/62/86/597786286.db2.gz	HTIULDBESDWLPB-ROUUACIJSA-N	2	0	336.520	1.956	20	30		EDEDRP
N#C[C@@H]1C[NH2+]CC12CC(C(=O)N1CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C1)C2	ZINC000884327918	598069344	/nfs/dbraw/zinc/06/93/44/598069344.db2.gz	FWSMJSMVDIWCNW-KFBJMLPJSA-N	2	0	342.487	1.601	20	30		EDEDRP
N#C[C@@H]1C[NH2+]CC12CC(C(=O)N[C@H](CCC[NH3+])c1ccccc1)C2	ZINC000884337092	598073148	/nfs/dbraw/zinc/07/31/48/598073148.db2.gz	CXNNHPHJCWWJOM-VZDIDWBNSA-N	2	0	326.444	1.722	20	30		EDEDRP
C#CCN(C(=O)NCc1cccc(C[NH+](C)C)c1)C1CC[NH+](C)CC1	ZINC000914142818	695151493	/nfs/dbraw/zinc/15/14/93/695151493.db2.gz	NSKUOWMEPDOFNL-UHFFFAOYSA-N	2	0	342.487	1.987	20	30		EDEDRP
C=C(C)CC[NH+]1CC(N2CCN(C(=O)C3CC[NH+](C)CC3)CC2)C1	ZINC000941545363	701575987	/nfs/dbraw/zinc/57/59/87/701575987.db2.gz	ZYXIVRNQXMVSHG-UHFFFAOYSA-N	2	0	334.508	1.123	20	30		EDEDRP
C=C(Cl)C[NH2+][C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@@H]1C	ZINC000939421641	699557743	/nfs/dbraw/zinc/55/77/43/699557743.db2.gz	IZPUVDZFIVAAHW-SWLSCSKDSA-N	2	0	329.872	1.286	20	30		EDEDRP
C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1[NH2+]Cc1ccc(C#N)c(F)c1	ZINC000939757412	699924506	/nfs/dbraw/zinc/92/45/06/699924506.db2.gz	YFKMLYHDFJCBDM-RDTXWAMCSA-N	2	0	344.434	1.730	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cnc(C)o3)C2)CC1	ZINC000939810409	699958652	/nfs/dbraw/zinc/95/86/52/699958652.db2.gz	MYPYUXFLRYRDSG-RDTXWAMCSA-N	2	0	344.459	1.265	20	30		EDEDRP
C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C(C)(C)C1	ZINC000940902104	700976878	/nfs/dbraw/zinc/97/68/78/700976878.db2.gz	WNYZHOPTYAOSAH-RXCRORICSA-N	2	0	347.503	1.642	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)NCC2C[NH+](CC3CC(C)(C)C3)C2)CC1	ZINC001032207327	702158343	/nfs/dbraw/zinc/15/83/43/702158343.db2.gz	NCEBENPLYAFBCC-UHFFFAOYSA-N	2	0	331.504	1.816	20	30		EDEDRP
C=CCC[N@@H+]1CC[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@H](C)C1	ZINC000942055954	702503614	/nfs/dbraw/zinc/50/36/14/702503614.db2.gz	DANCFMQZUQOVTO-CVEARBPZSA-N	2	0	333.480	1.461	20	30		EDEDRP
C=C(Br)C[NH2+]C1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)CC1	ZINC000996675179	702974375	/nfs/dbraw/zinc/97/43/75/702974375.db2.gz	FLYFNXWWDNMQFW-AWEZNQCLSA-N	2	0	344.297	1.816	20	30		EDEDRP
C[NH+](C)[C@H](C(=O)N1CCC([NH2+]Cc2ccccc2C#N)CC1)C1CC1	ZINC000996678368	702977024	/nfs/dbraw/zinc/97/70/24/702977024.db2.gz	MWFIWSTZIMCXJR-IBGZPJMESA-N	2	0	340.471	1.979	20	30		EDEDRP
CC#CCN1CC[NH+](C2CCC(NC(=O)[C@@H]3CC[N@H+](C)C3)CC2)CC1	ZINC000996802371	703088395	/nfs/dbraw/zinc/08/83/95/703088395.db2.gz	MSMKEHCGAYOYGA-LMDPOFIKSA-N	2	0	346.519	1.006	20	30		EDEDRP
C=C(Br)C[NH2+]C1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1	ZINC000996993112	703249790	/nfs/dbraw/zinc/24/97/90/703249790.db2.gz	APJGVFSIROUTJM-LBPRGKRZSA-N	2	0	344.297	1.817	20	30		EDEDRP
C#CCC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)CC1	ZINC000997228355	703503990	/nfs/dbraw/zinc/50/39/90/703503990.db2.gz	GTATWDYZCMFXQL-XDAPHXNSSA-N	2	0	345.487	1.090	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)NC2CC[NH+](CC[C@@H]3CCOC3)CC2)CC1	ZINC001004200547	703926928	/nfs/dbraw/zinc/92/69/28/703926928.db2.gz	COTUFBADIYMDTB-QGZVFWFLSA-N	2	0	347.503	1.339	20	30		EDEDRP
C#CC[N@H+]1CCC[C@H](N(CC)C(=O)c2ccn(CC[NH+](C)C)n2)CC1	ZINC000998007461	705172349	/nfs/dbraw/zinc/17/23/49/705172349.db2.gz	OHKUADIKTCENCO-KRWDZBQOSA-N	2	0	345.491	1.395	20	30		EDEDRP
C[N@@H+]1CC[C@@H](C(=O)N2CCC(C[NH2+]Cc3ccccc3C#N)CC2)C1	ZINC000998265240	705632459	/nfs/dbraw/zinc/63/24/59/705632459.db2.gz	JUCNYPSOBKLHNK-LJQANCHMSA-N	2	0	340.471	1.838	20	30		EDEDRP
C#CC[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCCCC2)CC[C@H]1C(F)(F)F	ZINC000998316257	705736625	/nfs/dbraw/zinc/73/66/25/705736625.db2.gz	QDRGALVQSAEPNV-HUUCEWRRSA-N	2	0	345.409	1.865	20	30		EDEDRP
CN(C(=O)C[C@@H]1CC[N@H+](C)C1)C1CC([NH2+]Cc2cccc(C#N)c2)C1	ZINC000999683098	707203227	/nfs/dbraw/zinc/20/32/27/707203227.db2.gz	VYPZPTIHLIWTEA-VIQWUECVSA-N	2	0	340.471	1.979	20	30		EDEDRP
CC#CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(CC[NH+](C)C)cc2)C1	ZINC001033423457	707839307	/nfs/dbraw/zinc/83/93/07/707839307.db2.gz	RIQUEIJGCGCIIB-LJQANCHMSA-N	2	0	327.472	1.960	20	30		EDEDRP
C=CC[NH+]1CCC(N(C)C(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)CC1	ZINC001005409521	708921786	/nfs/dbraw/zinc/92/17/86/708921786.db2.gz	KDHXENORTJZBDJ-MOPGFXCFSA-N	2	0	349.519	1.842	20	30		EDEDRP
C#CC[NH+]1CCC(NC(=O)NCc2ccc(CC[NH+](C)C)cc2)CC1	ZINC000922132552	709825899	/nfs/dbraw/zinc/82/58/99/709825899.db2.gz	SACGZDLVHZASNJ-UHFFFAOYSA-N	2	0	342.487	1.688	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)N[C@H]2CCCC[N@H+](C[C@H]3CCOC3)C2)CC1	ZINC001034538823	710211774	/nfs/dbraw/zinc/21/17/74/710211774.db2.gz	RSAUQUXFWRTBBA-MJGOQNOKSA-N	2	0	347.503	1.339	20	30		EDEDRP
C=CC[NH+]1CCC(N(C)C(=O)c2ccn(-c3cc[nH+]cc3)n2)CC1	ZINC001005690995	710998970	/nfs/dbraw/zinc/99/89/70/710998970.db2.gz	LAIWMJMIAFPFAS-UHFFFAOYSA-N	2	0	325.416	1.990	20	30		EDEDRP
C#CCN1CCC[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](Cc2cncc(C)c2)C1	ZINC001033154281	712164198	/nfs/dbraw/zinc/16/41/98/712164198.db2.gz	OISLAUAFCBLPFG-MOPGFXCFSA-N	2	0	340.471	1.520	20	30		EDEDRP
CC#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCc4cncn4C3)CC[C@@H]2C1	ZINC000946652456	712204839	/nfs/dbraw/zinc/20/48/39/712204839.db2.gz	UOYFNMSZVFAHIC-FGTMMUONSA-N	2	0	340.471	1.639	20	30		EDEDRP
C[N@H+](CCCNC(=[NH2+])NCCCN1CCOCC1)Cc1ccccc1	ZINC000264081590	249332258	/nfs/dbraw/zinc/33/22/58/249332258.db2.gz	IORNXTMYUHKLHP-UHFFFAOYSA-N	2	0	347.507	1.135	20	30		EDEDRP
C#CCNC(=O)[C@@H](C)[N@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1	ZINC000377266636	250287432	/nfs/dbraw/zinc/28/74/32/250287432.db2.gz	LFUIMLJVGJMELD-QGZVFWFLSA-N	2	0	348.535	1.252	20	30		EDEDRP
COc1ccc(CNC(=[NH2+])NCC[N@@H+]2CCC[C@@H](C)C2)cc1OC	ZINC000104168279	533551664	/nfs/dbraw/zinc/55/16/64/533551664.db2.gz	SHRZBRDDPHTVHJ-CQSZACIVSA-N	2	0	334.464	1.840	20	30		EDEDRP
C[C@H]1CN(C(=O)Cc2ccc(C#N)cc2)CCN1C1CC[NH+](C)CC1	ZINC000408077693	158259128	/nfs/dbraw/zinc/25/91/28/158259128.db2.gz	AYKWKMRAJMEKSQ-INIZCTEOSA-N	2	0	340.471	1.728	20	30		EDEDRP
C[NH+]1CCC([C@@H]2CC[N@H+](C[C@H]3CNc4c(C#N)cnn4C3)C2)CC1	ZINC000518188168	267333655	/nfs/dbraw/zinc/33/36/55/267333655.db2.gz	ZPZFEBIXWGXPHM-GDBMZVCRSA-N	2	0	328.464	1.460	20	30		EDEDRP
C[C@@H]1C[NH+]2CCC[C@@H]2CN1CC#CCN1C[C@@H]2CCC[N@H+]2C[C@H]1C	ZINC000341880623	297095954	/nfs/dbraw/zinc/09/59/54/297095954.db2.gz	FVBWDFBZFFQOFG-WTGUMLROSA-N	2	0	330.520	1.327	20	30		EDEDRP
C[NH2+]Cc1cccc(NC(=O)C(=O)N(CCC#N)CCC[NH+](C)C)c1	ZINC000415103942	447389003	/nfs/dbraw/zinc/38/90/03/447389003.db2.gz	DGEQSWPOGMXSGP-UHFFFAOYSA-N	2	0	345.447	1.038	20	30		EDEDRP
COC[C@@H](C)NC(=[NH2+])NCCc1ccc(OCC[NH+]2CCCC2)cc1	ZINC000091537601	441711739	/nfs/dbraw/zinc/71/17/39/441711739.db2.gz	NGYHQRMIYXRNPZ-MRXNPFEDSA-N	2	0	348.491	1.643	20	30		EDEDRP
C[C@@H](O)C[C@@H](CNC(=[NH2+])NCCCN1CCOCC1)c1ccccc1	ZINC000122411339	441848634	/nfs/dbraw/zinc/84/86/34/441848634.db2.gz	PVECXRSLISGTFB-AEFFLSMTSA-N	2	0	348.491	1.168	20	30		EDEDRP
C=C(C)C[NH+]1CCC(NC(=O)[C@H]([NH2+]C2CCOCC2)C(C)C)CC1	ZINC000173161065	442613272	/nfs/dbraw/zinc/61/32/72/442613272.db2.gz	GBPAPVDHJSUFQN-GOSISDBHSA-N	2	0	337.508	1.936	20	30		EDEDRP
CCc1nn(C)c(CC)c1CNC(=[NH+]C)N1CC[C@H]([NH+]2CC=CC2)C1	ZINC000261684867	443165052	/nfs/dbraw/zinc/16/50/52/443165052.db2.gz	HYTAKMHWKGPYKD-HNNXBMFYSA-N	2	0	344.507	1.566	20	30		EDEDRP
CC(C)CNC(=[NH2+])NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1	ZINC000267445338	443460643	/nfs/dbraw/zinc/46/06/43/443460643.db2.gz	PXJGCSUIMUNIRT-KRWDZBQOSA-N	2	0	345.491	1.444	20	30		EDEDRP
C#C[C@@H](NC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)C(C)C	ZINC000282063889	444076389	/nfs/dbraw/zinc/07/63/89/444076389.db2.gz	BLHGUDCEMUDPHK-GOSISDBHSA-N	2	0	343.475	1.551	20	30		EDEDRP
C#CC[N@H+](C)CCCNC(=O)NCc1ccnc(N2CCCCC2)c1	ZINC000296428391	444228800	/nfs/dbraw/zinc/22/88/00/444228800.db2.gz	SDAIXCQYMHGIPV-UHFFFAOYSA-N	2	0	343.475	1.826	20	30		EDEDRP
C[C@H](CNC(=O)N[C@@H](C)C1=CC[N@H+](C)CC1)C[NH+]1CCN(C)CC1	ZINC000329302935	444527606	/nfs/dbraw/zinc/52/76/06/444527606.db2.gz	NQCBZZBFCZITEE-CVEARBPZSA-N	2	0	337.512	1.024	20	30		EDEDRP
C=C(C)[C@H]1OCC[C@H]1C(=O)N1CCN(C2CC[NH+](C)CC2)[C@H](C)C1	ZINC000373910430	446340193	/nfs/dbraw/zinc/34/01/93/446340193.db2.gz	YYBUHNRBVNPOCQ-KBAYOESNSA-N	2	0	335.492	1.595	20	30		EDEDRP
O[C@H]1CC[NH+](CC#CC[N@H+]2CC[C@H](O)CC23CCC3)C2(CCC2)C1	ZINC000420993765	446971850	/nfs/dbraw/zinc/97/18/50/446971850.db2.gz	MKQSIZVMVDRNPX-ROUUACIJSA-N	2	0	332.488	1.749	20	30		EDEDRP
CC[NH+]1CCN(CC(C)(C)[NH2+]CCOc2ccccc2C#N)CC1	ZINC000451997411	447799516	/nfs/dbraw/zinc/79/95/16/447799516.db2.gz	ZMFVGKVMRPNHCC-UHFFFAOYSA-N	2	0	330.476	1.943	20	30		EDEDRP
C[NH+](C)C1CCC([NH2+]CCS(=O)(=O)c2cccc(C#N)c2)CC1	ZINC000577722244	448367334	/nfs/dbraw/zinc/36/73/34/448367334.db2.gz	LTIVSGHMJVXSFT-UHFFFAOYSA-N	2	0	335.473	1.794	20	30		EDEDRP
C[NH+](C)CC1CC[NH+](CC#CCN2C(=O)c3ccccc3C2=O)CC1	ZINC000528354120	448496074	/nfs/dbraw/zinc/49/60/74/448496074.db2.gz	JWWGLTRODQBQML-UHFFFAOYSA-N	2	0	339.439	1.560	20	30		EDEDRP
C=CC[NH+]1CCC(NC(=O)N2CCN(c3cc[nH+]cc3)CC2)CC1	ZINC000592524180	448877321	/nfs/dbraw/zinc/87/73/21/448877321.db2.gz	UGDHJWPPZMVKKC-UHFFFAOYSA-N	2	0	329.448	1.564	20	30		EDEDRP
COCCC[NH+]1CCC([NH2+]C[C@@H](O)COc2ccc(C#N)cc2)CC1	ZINC000582296605	449060326	/nfs/dbraw/zinc/06/03/26/449060326.db2.gz	OZWBTZQWYHRZNF-GOSISDBHSA-N	2	0	347.459	1.388	20	30		EDEDRP
CN(C)c1ncccc1O[C@@H]1CC[N@H+](C[C@@H](O)CC(C)(C)C#N)C1	ZINC000598615713	449495398	/nfs/dbraw/zinc/49/53/98/449495398.db2.gz	CRYGRYMFIWNJSS-LSDHHAIUSA-N	2	0	332.448	1.901	20	30		EDEDRP
N#CC1(C[C@H](O)C[NH2+]CCN2CC[NH+](Cc3ccccc3)CC2)CC1	ZINC000600716586	449514896	/nfs/dbraw/zinc/51/48/96/449514896.db2.gz	YZWXCXKPPGITMN-IBGZPJMESA-N	2	0	342.487	1.449	20	30		EDEDRP
C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)[C@H]([NH3+])CCCCC#N)CC1	ZINC000594437019	449516008	/nfs/dbraw/zinc/51/60/08/449516008.db2.gz	SHXVGJYNNMGKBP-DLBZAZTESA-N	2	0	335.496	1.026	20	30		EDEDRP
C[NH+](C)C[C@@H]1CN(C(=O)[C@H]([NH3+])CCCCC#N)c2ccccc2O1	ZINC000594437508	449516684	/nfs/dbraw/zinc/51/66/84/449516684.db2.gz	CNIFRQAIPIUDNH-HUUCEWRRSA-N	2	0	330.432	1.753	20	30		EDEDRP
N#CC1(c2ccc(C[NH2+]CCC[N@H+]3CCC[C@@H](C(N)=O)C3)cc2)CC1	ZINC000594919309	449808099	/nfs/dbraw/zinc/80/80/99/449808099.db2.gz	HWQOWGWSMHKRMG-QGZVFWFLSA-N	2	0	340.471	1.919	20	30		EDEDRP
C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1cc2ccccc2n1CC#N	ZINC000609187673	449975096	/nfs/dbraw/zinc/97/50/96/449975096.db2.gz	GFGDYTRXMXKWLR-UHFFFAOYSA-N	2	0	341.459	1.730	20	30		EDEDRP
C[C@]1(NC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)CC[NH2+]C1	ZINC000597433855	450018483	/nfs/dbraw/zinc/01/84/83/450018483.db2.gz	PCTLKLBQYCZUGK-IBGZPJMESA-N	2	0	341.459	1.574	20	30		EDEDRP
CC[NH+]=C(N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1	ZINC000262447095	535265124	/nfs/dbraw/zinc/26/51/24/535265124.db2.gz	VKAXNJYKXLHYBO-GMBUGEKQSA-N	2	0	334.508	1.980	20	30		EDEDRP
C=CC[NH+](CC=C)[C@H](CNC(=O)C1C[NH+]([C@H]2CCOC2)C1)C(C)C	ZINC000895672050	591248197	/nfs/dbraw/zinc/24/81/97/591248197.db2.gz	UWSCZBJIKAFNRI-ZWKOTPCHSA-N	2	0	335.492	1.522	20	30		EDEDRP
Cc1c(C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)cnn1CCC#N	ZINC000896326284	591422410	/nfs/dbraw/zinc/42/24/10/591422410.db2.gz	XFMFRBYOCNQEFS-OAHLLOKOSA-N	2	0	344.463	1.004	20	30		EDEDRP
COc1cc(C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)ccc1C#N	ZINC000827482229	594676219	/nfs/dbraw/zinc/67/62/19/594676219.db2.gz	TVTFDQQAFCXRKI-UHFFFAOYSA-N	2	0	346.475	1.912	20	30		EDEDRP
CC[NH+](CC)CCOc1ccc(C(=O)N[C@H]2C[NH2+]C[C@@H]2C#N)cc1	ZINC000844194552	595299595	/nfs/dbraw/zinc/29/95/95/595299595.db2.gz	JVEYNPGMTKOFBK-RDJZCZTQSA-N	2	0	330.432	1.249	20	30		EDEDRP
CC[NH+](CC)[C@@H](CNC(NCCN1CCOCC1)=[NH+]C)CC(C)C	ZINC000849054854	595476241	/nfs/dbraw/zinc/47/62/41/595476241.db2.gz	VOKAPNPCLZCPRQ-QGZVFWFLSA-N	2	0	341.544	1.240	20	30		EDEDRP
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc([C@@H]3C[C@H]3[NH3+])cc2)CC1	ZINC000868231056	596736776	/nfs/dbraw/zinc/73/67/76/596736776.db2.gz	WTSMEQMXMJQGIK-DLBZAZTESA-N	2	0	342.443	1.206	20	30		EDEDRP
C=C(Cl)C[C@H]([NH3+])C(=O)NC1CC[NH+](C2CCN(C)CC2)CC1	ZINC000876743058	597317723	/nfs/dbraw/zinc/31/77/23/597317723.db2.gz	XOMVRGQXASDVHK-HNNXBMFYSA-N	2	0	328.888	1.131	20	30		EDEDRP
C=CC[NH+]1CCC(NC(=O)c2c(C)cnn2[C@H]2CCC[NH2+]C2)CC1	ZINC000876756171	597324483	/nfs/dbraw/zinc/32/44/83/597324483.db2.gz	PPTLPASQZLSFOA-INIZCTEOSA-N	2	0	331.464	1.496	20	30		EDEDRP
N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)N1CC[C@H](C[NH+]2CCCC2)C1	ZINC000876771720	597333067	/nfs/dbraw/zinc/33/30/67/597333067.db2.gz	XGORVIIJKXVSQG-VQIMIIECSA-N	2	0	338.455	1.689	20	30		EDEDRP
C[C@@H]1C[C@H](O)C[NH+]1Cc1cc(C#N)cc(C[N@H+]2C[C@@H](O)C[C@H]2C)c1	ZINC000878318975	597594962	/nfs/dbraw/zinc/59/49/62/597594962.db2.gz	FYWLAPAREOVHQD-QZCPTFHJSA-N	2	0	329.444	1.468	20	30		EDEDRP
C[NH+]1CCC2(CC1)CC[NH+](CC(=O)N(CCC#N)CCC#N)CC2	ZINC000879248539	597864049	/nfs/dbraw/zinc/86/40/49/597864049.db2.gz	VPRZKJAWQAKRRP-UHFFFAOYSA-N	2	0	331.464	1.450	20	30		EDEDRP
CC1CCC([NH+]2CCN(C(=O)C3CC4(C3)C[NH2+]C[C@H]4C#N)CC2)CC1	ZINC000884221045	598033745	/nfs/dbraw/zinc/03/37/45/598033745.db2.gz	IILLQKKFIXDMCX-ZMMKMROJSA-N	2	0	344.503	1.849	20	30		EDEDRP
C#CCN(C(=O)NC[C@H]1CC[N@@H+](CC(C)C)C1)C1CC[NH+](C)CC1	ZINC000921426821	697603740	/nfs/dbraw/zinc/60/37/40/697603740.db2.gz	MWTJZRWTJOPIIU-QGZVFWFLSA-N	2	0	334.508	1.703	20	30		EDEDRP
C#CCN1CCC[C@H]1C(=O)NCC1C[NH+](Cc2ccc(C)c(C)c2)C1	ZINC001031741365	698310750	/nfs/dbraw/zinc/31/07/50/698310750.db2.gz	XLOAHDNAFOXKGD-FQEVSTJZSA-N	2	0	339.483	1.949	20	30		EDEDRP
C=CCC[NH+]1CC(N2CCN(C(=O)[C@H]3CCCC[N@H+]3C(C)C)CC2)C1	ZINC000941595742	701587354	/nfs/dbraw/zinc/58/73/54/701587354.db2.gz	NCZIHSFGSNKRFW-LJQANCHMSA-N	2	0	348.535	1.654	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)N2C[C@H]([NH2+]Cc3ocnc3C)[C@@H](C)C2)CC1	ZINC000939807869	699956809	/nfs/dbraw/zinc/95/68/09/699956809.db2.gz	AQBYIRDVDIULDD-YOEHRIQHSA-N	2	0	344.459	1.265	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)NCC2C[NH+](C[C@H]3CCO[C@H](C)C3)C2)CC1	ZINC001032207176	702115942	/nfs/dbraw/zinc/11/59/42/702115942.db2.gz	GHSZHCRWONOGHN-SJORKVTESA-N	2	0	347.503	1.195	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[C@@H](C[NH2+]Cc3ccon3)C2)CC1	ZINC000995239283	702892505	/nfs/dbraw/zinc/89/25/05/702892505.db2.gz	YHTJIFARPXLRJI-NVXWUHKLSA-N	2	0	344.459	1.394	20	30		EDEDRP
CC1(C)CN(C(=O)C[NH+]2CCCC2)C[C@H]1[NH2+]Cc1ccc(C#N)cc1	ZINC000996612808	702917639	/nfs/dbraw/zinc/91/76/39/702917639.db2.gz	RQOBRUUCZHZUAT-GOSISDBHSA-N	2	0	340.471	1.981	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)NC2CC[NH+](C[C@H](CC)OC)CC2)CC1	ZINC001004200476	703926791	/nfs/dbraw/zinc/92/67/91/703926791.db2.gz	AFBURXLRSDKQMG-SFHVURJKSA-N	2	0	335.492	1.337	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)NC2CC[NH+](C[C@@H]3CCCCO3)CC2)CC1	ZINC001004201361	703928521	/nfs/dbraw/zinc/92/85/21/703928521.db2.gz	NPZNOIZQCPDUFL-IBGZPJMESA-N	2	0	347.503	1.481	20	30		EDEDRP
C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2ccc(C#N)c(F)c2)C1	ZINC000998718010	706149918	/nfs/dbraw/zinc/14/99/18/706149918.db2.gz	AFVHLHGPFDHATE-SJLPKXTDSA-N	2	0	344.434	1.872	20	30		EDEDRP
C#CCN1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2cnccc2C)C1	ZINC000999394360	706888762	/nfs/dbraw/zinc/88/87/62/706888762.db2.gz	COQXBAIGGAAHIA-OALUTQOASA-N	2	0	340.471	1.568	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)N(C)C2CC([NH2+]Cc3cnc(C)o3)C2)CC1	ZINC000999876547	707523953	/nfs/dbraw/zinc/52/39/53/707523953.db2.gz	NTHIRAXWQAMXBK-UHFFFAOYSA-N	2	0	344.459	1.407	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)NCC2CC[NH+](C[C@@H]3CCOC3)CC2)CC1	ZINC001002145570	708659827	/nfs/dbraw/zinc/65/98/27/708659827.db2.gz	SEKZIKYQVJDTFP-SFHVURJKSA-N	2	0	347.503	1.196	20	30		EDEDRP
CN(CC[NH+]1CCCC1)C(=O)NC1CC[NH+](Cc2ccncc2)CC1	ZINC000329254888	539423243	/nfs/dbraw/zinc/42/32/43/539423243.db2.gz	BFHIZUPFHKQQGY-UHFFFAOYSA-N	2	0	345.491	1.988	20	30		EDEDRP
CC[NH+]1CCN([C@@H]2CC[N@H+](CCOc3ccccc3C#N)C2)CC1	ZINC000107370389	204235039	/nfs/dbraw/zinc/23/50/39/204235039.db2.gz	WWQRFZNCWDQDDI-GOSISDBHSA-N	2	0	328.460	1.649	20	30		EDEDRP
C[NH+]=C(NCC(=O)NCc1ccco1)N1CC[C@H]([NH+]2CCCCC2)C1	ZINC000262446798	249320963	/nfs/dbraw/zinc/32/09/63/249320963.db2.gz	IZPWECHVAZYEPM-HNNXBMFYSA-N	2	0	347.463	1.031	20	30		EDEDRP
CN1CC[NH+]=C1NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2	ZINC000263209081	249329131	/nfs/dbraw/zinc/32/91/31/249329131.db2.gz	YSZMDZCIGVKAEA-SFHVURJKSA-N	2	0	342.487	1.806	20	30		EDEDRP
COC[C@H](CCC[NH3+])[NH2+]C1CCC(Oc2ncccc2C#N)CC1	ZINC000423059129	252031104	/nfs/dbraw/zinc/03/11/04/252031104.db2.gz	LFDQNBJLSRYAFY-CGZBRXJRSA-N	2	0	332.448	1.987	20	30		EDEDRP
C=CCNC(=O)CNCc1c(Cl)cccc1N1CC[NH+](C)CC1	ZINC000181127466	442681432	/nfs/dbraw/zinc/68/14/32/442681432.db2.gz	QQRRLCGBPBBVDQ-UHFFFAOYSA-N	2	0	336.867	1.484	20	30		EDEDRP
C[C@](C#N)(NC(=O)CN1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)C1CC1	ZINC000246924863	442822796	/nfs/dbraw/zinc/82/27/96/442822796.db2.gz	SSRWWRBTUOUYKQ-DKSSEZFCSA-N	2	0	330.476	1.744	20	30		EDEDRP
[NH2+]=C(NCC1([NH+]2CCSCC2)CCCCC1)N1CCOCC1	ZINC000262543721	443199691	/nfs/dbraw/zinc/19/96/91/443199691.db2.gz	TZOSFCGUEAOIPV-UHFFFAOYSA-N	2	0	326.510	1.385	20	30		EDEDRP
C[NH+]=C(NC[C@@H]1C[NH+]2CCN1CC2)N(C)Cc1ccc(Cl)s1	ZINC000262809681	443213076	/nfs/dbraw/zinc/21/30/76/443213076.db2.gz	UUZKRFSXMNRXGQ-GFCCVEGCSA-N	2	0	341.912	1.409	20	30		EDEDRP
CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccccc1-n1cccn1	ZINC000264132700	443252160	/nfs/dbraw/zinc/25/21/60/443252160.db2.gz	YHNYFPSJJLVGCV-MRXNPFEDSA-N	2	0	326.448	1.761	20	30		EDEDRP
CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ncnn1-c1ccccc1	ZINC000278639500	443386868	/nfs/dbraw/zinc/38/68/68/443386868.db2.gz	ZAOZWAWJJQYZFW-HNNXBMFYSA-N	2	0	327.436	1.156	20	30		EDEDRP
C=CCN(CC=C)C(=O)[C@H](C)N(C)CC[N@H+](C)C1CCN(C)CC1	ZINC000271740703	443511967	/nfs/dbraw/zinc/51/19/67/443511967.db2.gz	WGHSPOJIMXNTGG-KRWDZBQOSA-N	2	0	336.524	1.533	20	30		EDEDRP
CC1CCN(C(=[NH2+])NCC2(N3CCCCC3)CC[NH+](C)CC2)CC1	ZINC000304286778	444245626	/nfs/dbraw/zinc/24/56/26/444245626.db2.gz	ILPZZTUPPYMLMR-UHFFFAOYSA-N	2	0	335.540	1.983	20	30		EDEDRP
C=CC[NH+](CC=C)[C@H](CNC(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1)C(C)C	ZINC000417067457	447733118	/nfs/dbraw/zinc/73/31/18/447733118.db2.gz	RQZPDUBRDZKUSD-OKZBNKHCSA-N	2	0	334.508	1.936	20	30		EDEDRP
C[C@H](c1ccc(NC[C@H](O)CN(C)CCC#N)cc1)N1CCOCC1	ZINC000566734174	448547470	/nfs/dbraw/zinc/54/74/70/448547470.db2.gz	WELBRPREDLBEPL-APWZRJJASA-N	2	0	346.475	1.698	20	30		EDEDRP
C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)[C@@H]1CCCC[N@@H+]1C	ZINC000602086917	449333493	/nfs/dbraw/zinc/33/34/93/449333493.db2.gz	CTFKOTRZNKKVLX-SFHVURJKSA-N	2	0	328.460	1.933	20	30		EDEDRP
C[C@@H](CNC(=O)[C@H]([NH3+])CCCCC#N)[N@@H+]1CCc2ccccc2C1	ZINC000594437139	449517177	/nfs/dbraw/zinc/51/71/77/449517177.db2.gz	IPRRGBCQKOUHSL-MAUKXSAKSA-N	2	0	328.460	1.961	20	30		EDEDRP
N#CCCCC[C@@H]([NH3+])C(=O)NC1CC[NH+](Cc2ccncc2)CC1	ZINC000594441763	449521173	/nfs/dbraw/zinc/52/11/73/449521173.db2.gz	WOXHUCQGZPFTLI-QGZVFWFLSA-N	2	0	329.448	1.573	20	30		EDEDRP
N#Cc1ccc(C2([NH2+]C[C@H]3CCCN(C(=O)C[NH3+])C3)CCC2)cc1	ZINC000594581087	449583371	/nfs/dbraw/zinc/58/33/71/449583371.db2.gz	MSUHXAXWDQCAEY-MRXNPFEDSA-N	2	0	326.444	1.724	20	30		EDEDRP
COCC#CC[NH+]1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1	ZINC000677899520	487195490	/nfs/dbraw/zinc/19/54/90/487195490.db2.gz	JJPQYLNPLZEXBY-UHFFFAOYSA-N	2	0	335.492	1.340	20	30		EDEDRP
C=C(CC[NH+](C)C)C(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1	ZINC000900703076	592098887	/nfs/dbraw/zinc/09/88/87/592098887.db2.gz	IFQQEBHIUVNPOC-UHFFFAOYSA-N	2	0	345.487	1.767	20	30		EDEDRP
COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](Cc1cc(Cl)cc(C#N)c1)C2	ZINC000903494726	592186683	/nfs/dbraw/zinc/18/66/83/592186683.db2.gz	MBSLINYQKYNMHM-LXZKKBNFSA-N	2	0	333.819	1.924	20	30		EDEDRP
CN(C)c1ccnc(C[NH2+]C[C@H](O)COc2ccc(C#N)cc2)c1	ZINC000905525740	592560972	/nfs/dbraw/zinc/56/09/72/592560972.db2.gz	OWZDPSAVPGUKKE-KRWDZBQOSA-N	2	0	326.400	1.549	20	30		EDEDRP
N#CCCC[C@@H]([NH3+])C(=O)Nc1ccccc1C(=O)OC[C@H]1CCC[NH2+]1	ZINC000843334054	595078161	/nfs/dbraw/zinc/07/81/61/595078161.db2.gz	DLFHMRGVFYCVHK-UKRRQHHQSA-N	2	0	344.415	1.555	20	30		EDEDRP
C[C@H](C#N)Oc1ccc(C[NH2+]CCC[N@@H+]2CCC[C@H](C(N)=O)C2)cc1	ZINC000105474363	595308071	/nfs/dbraw/zinc/30/80/71/595308071.db2.gz	WGVPROVORSYTDX-WBVHZDCISA-N	2	0	344.459	1.654	20	30		EDEDRP
CN(C(=O)C#CC1CC[NH2+]CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000852883383	595596666	/nfs/dbraw/zinc/59/66/66/595596666.db2.gz	JYVXFOODZQISOX-IBGZPJMESA-N	2	0	325.456	1.722	20	30		EDEDRP
C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)C#CC2CC[NH2+]CC2)CC1	ZINC000852887017	595598331	/nfs/dbraw/zinc/59/83/31/595598331.db2.gz	CWTZWTZLSGLYMF-MRXNPFEDSA-N	2	0	340.471	1.726	20	30		EDEDRP
C[C@@H]1CCCN(C(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)[C@H]1CC[NH3+]	ZINC000867982562	596644224	/nfs/dbraw/zinc/64/42/24/596644224.db2.gz	SYETUCFKGAYMQF-JEBQAFNWSA-N	2	0	326.444	1.721	20	30		EDEDRP
N#Cc1cc(C[NH+]2CCC[C@H](O)C2)cc(C[N@H+]2CCC[C@@H](O)C2)c1	ZINC000877934911	597564798	/nfs/dbraw/zinc/56/47/98/597564798.db2.gz	HUZCXPRJHZZAMV-KDURUIRLSA-N	2	0	329.444	1.472	20	30		EDEDRP
N#Cc1cc(C[NH+]2CCC[C@H](O)C2)cc(C[N@H+]2CCC[C@H](O)C2)c1	ZINC000877934912	597564960	/nfs/dbraw/zinc/56/49/60/597564960.db2.gz	HUZCXPRJHZZAMV-OALUTQOASA-N	2	0	329.444	1.472	20	30		EDEDRP
C[NH+](C)[C@@H](CNC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N)c1ccccc1	ZINC000884177082	598015632	/nfs/dbraw/zinc/01/56/32/598015632.db2.gz	ZVNVESYIIUPJRD-VIHIWDAPSA-N	2	0	326.444	1.545	20	30		EDEDRP
C[C@@H]1CCC[C@@](CNC(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)([NH+](C)C)C1	ZINC000884197948	598024656	/nfs/dbraw/zinc/02/46/56/598024656.db2.gz	JNJRFPWVSJHUTE-QIRPVNGZSA-N	2	0	332.492	1.752	20	30		EDEDRP
N#Cc1cccc(C[NH+]2CCC(NC(=O)[C@H]([NH3+])CC3CC3)CC2)c1	ZINC000884389079	598089581	/nfs/dbraw/zinc/08/95/81/598089581.db2.gz	OESRCRJMAKXMLG-GOSISDBHSA-N	2	0	326.444	1.766	20	30		EDEDRP
C#CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C3CC[NH+](C(C)C)CC3)C[C@@H]21	ZINC000992846663	695405569	/nfs/dbraw/zinc/40/55/69/695405569.db2.gz	DXKCZPWQRWDGJP-CEXWTWQISA-N	2	0	331.504	1.957	20	30		EDEDRP
C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1[NH2+]Cc1ccccc1C#N	ZINC000939547844	699673261	/nfs/dbraw/zinc/67/32/61/699673261.db2.gz	ZXRJDRJGZKOWEM-CRAIPNDOSA-N	2	0	338.455	1.591	20	30		EDEDRP
C=C(C)CC[NH+]1CC(N2CCN(C(=O)CC[C@@H]3CCC[N@H+]3C)CC2)C1	ZINC000941442965	701542644	/nfs/dbraw/zinc/54/26/44/701542644.db2.gz	HSEHTZCADKWEGF-SFHVURJKSA-N	2	0	348.535	1.655	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)N[C@H](C)C2CC[NH+]([C@@H](C)COC)CC2)CC1	ZINC000997435707	703665324	/nfs/dbraw/zinc/66/53/24/703665324.db2.gz	ZLARLOOCQRZJAQ-DLBZAZTESA-N	2	0	349.519	1.583	20	30		EDEDRP
C[C@@H]1[C@H](C(=O)N(C)[C@@H]2CC[NH+](Cc3cccc(C#N)c3)C2)CC[N@@H+]1C	ZINC001033095536	704182715	/nfs/dbraw/zinc/18/27/15/704182715.db2.gz	ZEKAPDVLSXFKFZ-ATZDWAIDSA-N	2	0	340.471	1.931	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)N[C@@H](C)C2CC[NH+]([C@@H](C)COC)CC2)CC1	ZINC000997875374	704779667	/nfs/dbraw/zinc/77/96/67/704779667.db2.gz	ZLARLOOCQRZJAQ-IRXDYDNUSA-N	2	0	349.519	1.583	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](C/C=C/Cl)C[C@H]2C)CC1	ZINC000945181551	705215116	/nfs/dbraw/zinc/21/51/16/705215116.db2.gz	ODCKUQMTGBMHRS-WCWGKUCCSA-N	2	0	337.895	1.911	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)N(CC)[C@H]2CCC[N@H+](C[C@H](C)O)CC2)CC1	ZINC000998201499	705512761	/nfs/dbraw/zinc/51/27/61/705512761.db2.gz	ZCGZZSYFHDVACH-HKUYNNGSSA-N	2	0	349.519	1.415	20	30		EDEDRP
Cc1nc[nH]c1CC(=O)N(C)C1CC([NH2+]Cc2ccc(C#N)s2)C1	ZINC000999747399	707347731	/nfs/dbraw/zinc/34/77/31/707347731.db2.gz	NQHUVLUMJQJQNB-UHFFFAOYSA-N	2	0	343.456	1.973	20	30		EDEDRP
CC#CC[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CCC[NH+]2C2CCOCC2)C1	ZINC001034239751	709622611	/nfs/dbraw/zinc/62/26/11/709622611.db2.gz	DNPULUAJOVFBFR-IEBWSBKVSA-N	2	0	347.503	1.624	20	30		EDEDRP
C#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)C23CCC[NH+]2CCC3)CC1	ZINC001004483963	711875648	/nfs/dbraw/zinc/87/56/48/711875648.db2.gz	WKONXBXYKNIMPU-GOSISDBHSA-N	2	0	329.488	1.951	20	30		EDEDRP
C=CCC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[NH+]2C2CCOCC2)C1	ZINC001033144057	711972829	/nfs/dbraw/zinc/97/28/29/711972829.db2.gz	QIWLTSGDKVITQE-ROUUACIJSA-N	2	0	335.492	1.739	20	30		EDEDRP
N#C[C@@H]1CC[C@@H]([NH2+]CCCC[NH+]2CCN(c3ncccn3)CC2)C1	ZINC000442785213	283058188	/nfs/dbraw/zinc/05/81/88/283058188.db2.gz	RADHDJCDYGHDDE-IAGOWNOFSA-N	2	0	328.464	1.661	20	30		EDEDRP
C=CC[NH+](CC=C)[C@H](CNC(=O)NCC[N@H+](CC)CCO)C(C)C	ZINC000274691390	201270585	/nfs/dbraw/zinc/27/05/85/201270585.db2.gz	VCVTVALKGHGWDJ-QGZVFWFLSA-N	2	0	340.512	1.298	20	30		EDEDRP
COc1ccc(NC(=[NH2+])NCCN2CCC([NH+](C)C)CC2)cc1OC	ZINC000267351013	249360851	/nfs/dbraw/zinc/36/08/51/249360851.db2.gz	QXFXKNQMIOABBA-UHFFFAOYSA-N	2	0	349.479	1.456	20	30		EDEDRP
CCC[N@H+](CCN1CC[NH+](CC)CC1)[C@H](C)C(=O)N(C)CCC#N	ZINC000344134384	250015240	/nfs/dbraw/zinc/01/52/40/250015240.db2.gz	RIJFZVTXUKZPEP-QGZVFWFLSA-N	2	0	337.512	1.096	20	30		EDEDRP
C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@]1(CCOC)CC[NH2+]C1)C(C)C	ZINC000378200955	250298685	/nfs/dbraw/zinc/29/86/85/250298685.db2.gz	CYLOPJPOKIOLDP-HKUYNNGSSA-N	2	0	337.508	1.817	20	30		EDEDRP
COc1ccc([C@@H](CNC(=O)[C@@H]([NH3+])CCCC#N)[NH+]2CCCC2)cc1	ZINC000424127596	252134412	/nfs/dbraw/zinc/13/44/12/252134412.db2.gz	BDNXMMLWLQVIPW-ZWKOTPCHSA-N	2	0	344.459	1.969	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)N(CC[NH+](C)C)Cc2ccccn2)CC1	ZINC000490590105	255093556	/nfs/dbraw/zinc/09/35/56/255093556.db2.gz	NMTRDDRZMDTLKZ-UHFFFAOYSA-N	2	0	328.460	1.317	20	30		EDEDRP
Cn1cc(C[NH2+]CC2(O)CC[NH+](C)CC2)c(-c2ccc(C#N)cc2)n1	ZINC000272138276	140407210	/nfs/dbraw/zinc/40/72/10/140407210.db2.gz	BHKUUCJTDLETRW-UHFFFAOYSA-N	2	0	339.443	1.505	20	30		EDEDRP
CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])N1CCN(C(=O)OC(C)(C)C)CC1	ZINC000104153983	441190420	/nfs/dbraw/zinc/19/04/20/441190420.db2.gz	WDRJOIAKQKNBEG-CQSZACIVSA-N	2	0	339.484	1.338	20	30		EDEDRP
C[C@H](CNC(=[NH2+])N[C@@H]1CCOc2ccccc21)C[NH+]1CCN(C)CC1	ZINC000083032492	441348601	/nfs/dbraw/zinc/34/86/01/441348601.db2.gz	MGQMURQSWQMSEI-NVXWUHKLSA-N	2	0	345.491	1.298	20	30		EDEDRP
CC[NH+]1CCN([C@@H]2CC[N@H+](CCOc3cccc(C#N)c3)C2)CC1	ZINC000107370525	441413653	/nfs/dbraw/zinc/41/36/53/441413653.db2.gz	YCBDZELDWJEHBX-GOSISDBHSA-N	2	0	328.460	1.649	20	30		EDEDRP
C[C@@H](C(=O)N(C)CCC#N)[NH+]1CCC(OCC[NH+]2CCCC2)CC1	ZINC000173961735	441870190	/nfs/dbraw/zinc/87/01/90/441870190.db2.gz	ZRUWZVOYWSVKMR-INIZCTEOSA-N	2	0	336.480	1.324	20	30		EDEDRP
CC[C@H](C)NC(=[NH2+])NCCC[NH+]1CCN(c2ccc(OC)cc2)CC1	ZINC000122459851	441851625	/nfs/dbraw/zinc/85/16/25/441851625.db2.gz	NBUQZJDLSGXKSI-INIZCTEOSA-N	2	0	347.507	1.910	20	30		EDEDRP
COc1cc(C#N)ccc1OCC[N@H+](C)CCCN1CC[NH+](C)CC1	ZINC000174720439	441959601	/nfs/dbraw/zinc/95/96/01/441959601.db2.gz	SWWFZRAAWGBLHP-UHFFFAOYSA-N	2	0	346.475	1.515	20	30		EDEDRP
C[NH+]=C(NCCn1cnc2ccccc21)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C	ZINC000262025572	443180609	/nfs/dbraw/zinc/18/06/09/443180609.db2.gz	ZQVYMJVUFNXRCB-PBHICJAKSA-N	2	0	340.475	1.684	20	30		EDEDRP
CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1nc(-c2ccccc2)c[nH]1	ZINC000264126040	443250827	/nfs/dbraw/zinc/25/08/27/443250827.db2.gz	WPHKNQDLLVSSOE-OAHLLOKOSA-N	2	0	326.448	1.965	20	30		EDEDRP
CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1cccc(-n2cncn2)c1	ZINC000267431694	443454777	/nfs/dbraw/zinc/45/47/77/443454777.db2.gz	MSPQMVVTBRRAPG-MRXNPFEDSA-N	2	0	327.436	1.156	20	30		EDEDRP
C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@H](C)C[NH+]1CCOCC1)C(C)C	ZINC000273078738	443532798	/nfs/dbraw/zinc/53/27/98/443532798.db2.gz	LYPXSZFALSYNMG-MSOLQXFVSA-N	2	0	337.508	1.770	20	30		EDEDRP
C[N@@H+]1CCN(CCNC(=[NH2+])Nc2cc(F)ccc2F)CC1(C)C	ZINC000288746695	443971655	/nfs/dbraw/zinc/97/16/55/443971655.db2.gz	QAIGLTAMGAQJCX-UHFFFAOYSA-N	2	0	325.407	1.717	20	30		EDEDRP
C#CCC[NH+]1CCN(CCC[NH+]2CCN(c3ccccc3)CC2)CC1	ZINC000285797534	444111187	/nfs/dbraw/zinc/11/11/87/444111187.db2.gz	YKJWQASATNLHDB-UHFFFAOYSA-N	2	0	340.515	1.840	20	30		EDEDRP
C=CC[NH+]1CCC(NC(=O)NC[C@@H](O)C[NH+]2CCC(C)CC2)CC1	ZINC000304023392	444240769	/nfs/dbraw/zinc/24/07/69/444240769.db2.gz	YTPBEZYCVISAKS-QGZVFWFLSA-N	2	0	338.496	1.029	20	30		EDEDRP
C[C@@H](O)[C@@H]1C[C@H](C)CC[N@@H+]1CC#CC[NH+]1CC[C@H](C)C[C@@H]1[C@H](C)O	ZINC000342153844	444537690	/nfs/dbraw/zinc/53/76/90/444537690.db2.gz	CJUHZASVLZBAOR-XETNVZRVSA-N	2	0	336.520	1.952	20	30		EDEDRP
CC[NH+]1C[C@H](C)N(CC#CCN2C[C@H](C)[N@H+](CC)C[C@H]2C)C[C@H]1C	ZINC000341911782	445067621	/nfs/dbraw/zinc/06/76/21/445067621.db2.gz	VDMOCVPVNXRYBU-JVSBHGNQSA-N	2	0	334.552	1.819	20	30		EDEDRP
CCC[NH+]1CCC(N2CC[NH+](CCC(=O)N(C)CCC#N)CC2)CC1	ZINC000367496828	446555751	/nfs/dbraw/zinc/55/57/51/446555751.db2.gz	TYVDLCGUBUDVNZ-UHFFFAOYSA-N	2	0	349.523	1.241	20	30		EDEDRP
OCC[C@@H]1CCC[NH+](CC#CC[N@H+]2CCC[C@H](CCO)CC2)CC1	ZINC000421020002	446990460	/nfs/dbraw/zinc/99/04/60/446990460.db2.gz	QPZULBPHBCVMSO-BGYRXZFFSA-N	2	0	336.520	1.959	20	30		EDEDRP
CC(C)[NH+]1CC[C@H](N(C)CC#CCN(C)[C@H]2CC[N@@H+](C(C)C)C2)C1	ZINC000452111988	447816865	/nfs/dbraw/zinc/81/68/65/447816865.db2.gz	DNVOXNCYJIARTR-PMACEKPBSA-N	2	0	334.552	1.819	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)N(CC[NH+](C)C)Cc2ccsc2)CC1	ZINC000491337417	447997472	/nfs/dbraw/zinc/99/74/72/447997472.db2.gz	ABFPECIXMDLAPL-UHFFFAOYSA-N	2	0	333.501	1.984	20	30		EDEDRP
C#CCN1C(=O)C[C@@H]([NH+]2CCC(CCC[NH+](CC)CC)CC2)C1=O	ZINC000491439193	448028852	/nfs/dbraw/zinc/02/88/52/448028852.db2.gz	IDQSYPRGGAOKLJ-QGZVFWFLSA-N	2	0	333.476	1.581	20	30		EDEDRP
C[NH+]1CCC(C[NH2+]Cc2ccc(C#N)cc2F)(N2CCOCC2)CC1	ZINC000591263164	448300338	/nfs/dbraw/zinc/30/03/38/448300338.db2.gz	MFELAWXXUKZRSR-UHFFFAOYSA-N	2	0	346.450	1.584	20	30		EDEDRP
C=CC[NH+]1CCC(NC(=O)Nc2ccc3c(c2)OCC[NH2+]C3)CC1	ZINC000528722197	448646425	/nfs/dbraw/zinc/64/64/25/448646425.db2.gz	RTINEQUDSHZMQM-UHFFFAOYSA-N	2	0	330.432	1.941	20	30		EDEDRP
C=CC[N@@H+](CCN1CC[NH2+]CC1)[C@H](C)c1cccc(-n2cnnn2)c1	ZINC000567896527	448781079	/nfs/dbraw/zinc/78/10/79/448781079.db2.gz	YJNJPPFBOUOJHY-MRXNPFEDSA-N	2	0	341.463	1.117	20	30		EDEDRP
N#Cc1ccc(CC[N@H+]2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)cc1	ZINC000595890187	449234903	/nfs/dbraw/zinc/23/49/03/449234903.db2.gz	ZGYVBOLADMBMJL-RBUKOAKNSA-N	2	0	340.471	1.681	20	30		EDEDRP
C=CC[C@]1(C(=O)NCCc2ccc(OCC[NH+](C)C)cc2)CCC[NH2+]1	ZINC000662716563	453440282	/nfs/dbraw/zinc/44/02/82/453440282.db2.gz	DNNVIUYVANEVLN-HXUWFJFHSA-N	2	0	345.487	1.984	20	30		EDEDRP
CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCC1(N(C)C)Cc2ccccc2C1	ZINC000267387323	535550048	/nfs/dbraw/zinc/55/00/48/535550048.db2.gz	BYPZDESYXHUXNH-GOSISDBHSA-N	2	0	343.519	1.474	20	30		EDEDRP
C#CCC[NH+]1CCC(NC(=O)[C@@H]([NH2+]C2CCOCC2)C(C)C)CC1	ZINC000743490520	579481751	/nfs/dbraw/zinc/48/17/51/579481751.db2.gz	QUJXQGSSBFFHEC-SFHVURJKSA-N	2	0	335.492	1.384	20	30		EDEDRP
C=C(CC[NH+](C)C)C(=O)N[C@H](C)C[NH+]1CCN(c2ccccc2)CC1	ZINC000900816290	592135862	/nfs/dbraw/zinc/13/58/62/592135862.db2.gz	DGNNZAKDFQEVOB-GOSISDBHSA-N	2	0	344.503	1.821	20	30		EDEDRP
C=C(CC[NH+](C)C)C(=O)Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)cn1	ZINC000901160724	592271507	/nfs/dbraw/zinc/27/15/07/592271507.db2.gz	YPLADNZUFMFPEO-MRXNPFEDSA-N	2	0	331.464	1.668	20	30		EDEDRP
CSCCC[NH+]=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)NC(C)(C)C	ZINC000912508452	593101284	/nfs/dbraw/zinc/10/12/84/593101284.db2.gz	NXFOPBIBSWDFIF-LSDHHAIUSA-N	2	0	342.553	1.936	20	30		EDEDRP
CN(C)C(=O)[C@H]1CCCN1CCC[NH2+]C[C@@H](O)c1ccc(C#N)cc1	ZINC000818997896	593733051	/nfs/dbraw/zinc/73/30/51/593733051.db2.gz	NNOUEOXDEJKDKP-QZTJIDSGSA-N	2	0	344.459	1.124	20	30		EDEDRP
C#CCCOc1ccc(C(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc1	ZINC000823124072	594156697	/nfs/dbraw/zinc/15/66/97/594156697.db2.gz	JWZBJHXBSFIBFY-UHFFFAOYSA-N	2	0	331.460	1.654	20	30		EDEDRP
C[NH+](C)CCN(C1CC[NH+](C)CC1)S(=O)(=O)CC(C)(C)CC#N	ZINC000831135997	594565890	/nfs/dbraw/zinc/56/58/90/594565890.db2.gz	VPERAYKOJMTNJX-UHFFFAOYSA-N	2	0	344.525	1.214	20	30		EDEDRP
CC[NH+]1CCN(c2cccc(NC(=O)N[C@H]3C[NH2+]C[C@@H]3C#N)c2)CC1	ZINC000841194569	594866795	/nfs/dbraw/zinc/86/67/95/594866795.db2.gz	MTUUASCRQWSIDG-YOEHRIQHSA-N	2	0	342.447	1.062	20	30		EDEDRP
CC[N@H+](C)Cc1cc(O[C@H]2CC[NH+](CCO[C@@H](C)C#N)C2)ccn1	ZINC000856584494	596023024	/nfs/dbraw/zinc/02/30/24/596023024.db2.gz	KYWMKXZLUCWXCC-YJBOKZPZSA-N	2	0	332.448	1.915	20	30		EDEDRP
C[NH+](C)C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2C#N)C[C@H]1C[NH+](C)C	ZINC000866011903	596757492	/nfs/dbraw/zinc/75/74/92/596757492.db2.gz	LXZFLQZEGAVLAK-HUUCEWRRSA-N	2	0	331.420	1.642	20	30		EDEDRP
N#Cc1ccccc1N1CCC([NH2+]C[C@H](O)C[NH+]2CCCC2)CC1	ZINC000872222603	596841903	/nfs/dbraw/zinc/84/19/03/596841903.db2.gz	YDRAHKNZBNORGV-SFHVURJKSA-N	2	0	328.460	1.573	20	30		EDEDRP
CC[NH2+]CC1CCN(C(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)CC1	ZINC000876540067	597233318	/nfs/dbraw/zinc/23/33/18/597233318.db2.gz	FBOKYDQKAXXPLC-GOSISDBHSA-N	2	0	326.444	1.593	20	30		EDEDRP
CC[NH+]1CCN(C[C@H](C)C[NH2+]Cc2cc(C#N)cnc2Cl)CC1	ZINC000877015854	597412137	/nfs/dbraw/zinc/41/21/37/597412137.db2.gz	DTWRTKIHOBZDBZ-CQSZACIVSA-N	2	0	335.883	1.970	20	30		EDEDRP
O=C(C#CC1CC[NH2+]CC1)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000877121130	597437709	/nfs/dbraw/zinc/43/77/09/597437709.db2.gz	ZEUMRPQBUOTTLZ-IBGZPJMESA-N	2	0	325.456	1.628	20	30		EDEDRP
CC(C)(C)[C@]1(C[NH3+])CCN(C(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)C1	ZINC000877257218	597481620	/nfs/dbraw/zinc/48/16/20/597481620.db2.gz	NOWIVPCSLYNKQZ-XLIONFOSSA-N	2	0	340.471	1.969	20	30		EDEDRP
COCC[N@@H+](Cc1cnc2c(C#N)cnn2c1)CC1CC[NH+](C)CC1	ZINC000877665349	597546058	/nfs/dbraw/zinc/54/60/58/597546058.db2.gz	RWTTUAXDCBBXAN-UHFFFAOYSA-N	2	0	342.447	1.391	20	30		EDEDRP
C[NH+]1CCN(c2cc[nH+]c(NCc3cnc4c(C#N)cnn4c3)c2)CC1	ZINC000877691135	597547960	/nfs/dbraw/zinc/54/79/60/597547960.db2.gz	JPQVYAJKTACDRJ-UHFFFAOYSA-N	2	0	348.414	1.360	20	30		EDEDRP
C[NH+](C)C[C@@H]1CN(C(=O)Nc2ccc(C#N)c(F)c2)C[C@H]1C[NH+](C)C	ZINC000879600560	597652876	/nfs/dbraw/zinc/65/28/76/597652876.db2.gz	WQLUQKSYAHFTHQ-HUUCEWRRSA-N	2	0	347.438	1.900	20	30		EDEDRP
C#CCC1(O)CC[NH+](CCCC[NH+]2CCC(O)(CC#C)CC2)CC1	ZINC000880481698	597942422	/nfs/dbraw/zinc/94/24/22/597942422.db2.gz	YOIMXAJYYCKBHW-UHFFFAOYSA-N	2	0	332.488	1.467	20	30		EDEDRP
C[C@@H]1CCC[C@@](CNC(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)([NH+](C)C)C1	ZINC000884197947	598025236	/nfs/dbraw/zinc/02/52/36/598025236.db2.gz	JNJRFPWVSJHUTE-MGZJBRTFSA-N	2	0	332.492	1.752	20	30		EDEDRP
N#C[C@@H]1C[NH2+]CC12CC(C(=O)N1CCC[C@H]([NH+]3CCCC3)CC1)C2	ZINC000884224377	598035624	/nfs/dbraw/zinc/03/56/24/598035624.db2.gz	OHXSJBUBOSSRDP-ISXWCOSWSA-N	2	0	330.476	1.603	20	30		EDEDRP
C=CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C(C)(C)C[NH+]3CCOCC3)C[C@H]21	ZINC000992753906	695282548	/nfs/dbraw/zinc/28/25/48/695282548.db2.gz	TXCMNISWADWICP-RCCFBDPRSA-N	2	0	349.519	1.748	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)N2C[C@@H]3CCC[C@@H]([NH2+]CCC)[C@H]3C2)CC1	ZINC000992931825	695461425	/nfs/dbraw/zinc/46/14/25/695461425.db2.gz	WMLFBHQNDFFKLF-GBESFXJTSA-N	2	0	331.504	1.958	20	30		EDEDRP
C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1[NH2+]Cc1ccc(C#N)cc1	ZINC000939063314	699117365	/nfs/dbraw/zinc/11/73/65/699117365.db2.gz	CXJJTBDJIWUPRJ-DNVCBOLYSA-N	2	0	340.471	1.837	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)N2C[C@H]([NH2+]Cc3cccnc3)[C@@H](C)C2)CC1	ZINC000939808780	699957383	/nfs/dbraw/zinc/95/73/83/699957383.db2.gz	GSKJNVMPVYMTNJ-LPHOPBHVSA-N	2	0	340.471	1.363	20	30		EDEDRP
C=C(Br)C[NH2+]C1CCN(C(=O)C2CC[NH+](C)CC2)CC1	ZINC000996945285	703214142	/nfs/dbraw/zinc/21/41/42/703214142.db2.gz	HJWHQBUJZCNBAV-UHFFFAOYSA-N	2	0	344.297	1.817	20	30		EDEDRP
C[N@@H+]1CC[C@H](C(=O)N2CCC([NH2+]Cc3ccc(F)c(C#N)c3)CC2)C1	ZINC000997300455	703544017	/nfs/dbraw/zinc/54/40/17/703544017.db2.gz	VGTPKXNSNNSRDD-HNNXBMFYSA-N	2	0	344.434	1.730	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)N(CC)[C@H]2CCC[N@H+](CCO)CC2)CC1	ZINC000998193597	705497870	/nfs/dbraw/zinc/49/78/70/705497870.db2.gz	BKFHIHFRJXJQKI-SFHVURJKSA-N	2	0	335.492	1.027	20	30		EDEDRP
C#CCC[NH+]1CCC(CNC(=O)[C@@H]2COCCN2C2CCCC2)CC1	ZINC001001757235	708280913	/nfs/dbraw/zinc/28/09/13/708280913.db2.gz	PCSYZPKLBBCXPJ-IBGZPJMESA-N	2	0	347.503	1.481	20	30		EDEDRP
C[N@@H+]1CC[C@H](C(=O)NCC2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1	ZINC001002121970	708635955	/nfs/dbraw/zinc/63/59/55/708635955.db2.gz	WZSIFRHHOMIFIV-IBGZPJMESA-N	2	0	340.471	1.838	20	30		EDEDRP
C#CCC[N@H+]1CC[C@H](N(CC)C(=O)c2ccn(CC[NH+](C)C)n2)C1	ZINC001033838111	708867970	/nfs/dbraw/zinc/86/79/70/708867970.db2.gz	PHDRJQOIGKOOEA-INIZCTEOSA-N	2	0	331.464	1.004	20	30		EDEDRP
Cn1cncc1CC(=O)NC1CC[NH+](Cc2ccc(C#N)cc2)CC1	ZINC001003970490	711119799	/nfs/dbraw/zinc/11/97/99/711119799.db2.gz	HZSMETCYVBTKOZ-UHFFFAOYSA-N	2	0	337.427	1.615	20	30		EDEDRP
O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)NC1CC[NH+](Cc2ccncc2)CC1	ZINC000329293456	539426759	/nfs/dbraw/zinc/42/67/59/539426759.db2.gz	JGNXJULEWFDFFP-QGZVFWFLSA-N	2	0	343.475	1.786	20	30		EDEDRP
C[C@H](CN1CC[NH+](C)CC1)NC(=O)NCC1CC[NH+](C2CC2)CC1	ZINC000330235107	539517462	/nfs/dbraw/zinc/51/74/62/539517462.db2.gz	GTTLVXGUSRQHRQ-OAHLLOKOSA-N	2	0	337.512	1.000	20	30		EDEDRP
C[N@H+](C[C@@H](O)CN[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)C1CC1	ZINC000563013339	306315767	/nfs/dbraw/zinc/31/57/67/306315767.db2.gz	IWHDPDIUDVQCEE-ZWKOTPCHSA-N	2	0	342.443	1.098	20	30		EDEDRP
CN1CCN(C2CC[NH+](CCOc3ccc(C#N)cc3)CC2)C(=O)C1	ZINC000374751233	157386901	/nfs/dbraw/zinc/38/69/01/157386901.db2.gz	OKTYHPJUMRYJQL-UHFFFAOYSA-N	2	0	342.443	1.175	20	30		EDEDRP
N#Cc1ccccc1OC[C@@H](O)C[NH2+]C1CC[NH+](CC2CC2)CC1	ZINC000530231145	268297939	/nfs/dbraw/zinc/29/79/39/268297939.db2.gz	MUWSCUYLULLFTC-SFHVURJKSA-N	2	0	329.444	1.762	20	30		EDEDRP
CCO[C@@H]1C[C@@H](NC(=[NH2+])NC[C@@H]2CCC[N@@H+]2CC)C12CCOCC2	ZINC000248629318	442910524	/nfs/dbraw/zinc/91/05/24/442910524.db2.gz	GGYXIJVCZGPNGK-ARFHVFGLSA-N	2	0	338.496	1.349	20	30		EDEDRP
C[NH+]=C(NC[C@@H]1C[NH+]2CCN1CC2)NCC1(c2cccc(F)c2)CC1	ZINC000261725144	443166782	/nfs/dbraw/zinc/16/67/82/443166782.db2.gz	FIXCIHSRPFBUIV-QGZVFWFLSA-N	2	0	345.466	1.022	20	30		EDEDRP
C[NH+]=C(NCc1ccc(-n2ccnc2C)nc1)N1CC[C@@H](COC)C1	ZINC000262472943	443196155	/nfs/dbraw/zinc/19/61/55/443196155.db2.gz	PIRNONYVRCQELR-MRXNPFEDSA-N	2	0	342.447	1.619	20	30		EDEDRP
C[NH+]=C(NCc1cn2ccccc2n1)N1CC[C@@H]([NH+]2CCCCC2)C1	ZINC000262484522	443197764	/nfs/dbraw/zinc/19/77/64/443197764.db2.gz	SICWKZYGTNTZLZ-QGZVFWFLSA-N	2	0	340.475	1.970	20	30		EDEDRP
COC[C@@H](C)NC(=[NH2+])NCCC[NH+]1CCN(c2ccccc2)CC1	ZINC000264118565	443249371	/nfs/dbraw/zinc/24/93/71/443249371.db2.gz	UAWZWMOLUAYWRY-MRXNPFEDSA-N	2	0	333.480	1.138	20	30		EDEDRP
O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)N1CCN(Cc2ccccn2)CC1	ZINC000328709966	444437314	/nfs/dbraw/zinc/43/73/14/444437314.db2.gz	FYXFSRAIMDEKGB-MRXNPFEDSA-N	2	0	329.448	1.350	20	30		EDEDRP
CC[NH+]1CCC(NC(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)CC1	ZINC000330177231	444874681	/nfs/dbraw/zinc/87/46/81/444874681.db2.gz	KNSWQUMXAYKBOE-SJORKVTESA-N	2	0	338.496	1.352	20	30		EDEDRP
C[C@H](C(=O)N(C)CCC#N)N(C)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1	ZINC000364703707	445946233	/nfs/dbraw/zinc/94/62/33/445946233.db2.gz	HDDNERPTLXIQQT-NJAFHUGGSA-N	2	0	343.475	1.767	20	30		EDEDRP
C[NH+](C)CCCN(CCC#N)C(=O)Nc1ccc2c(c1)C[NH2+]CCO2	ZINC000415969853	447528396	/nfs/dbraw/zinc/52/83/96/447528396.db2.gz	HJLWZMLBEZKVOL-UHFFFAOYSA-N	2	0	345.447	1.868	20	30		EDEDRP
CC[NH+]1C[C@@H](C)N(CC#CCN2[C@@H](C)C[NH+](CC)C[C@@H]2C)[C@H](C)C1	ZINC000459469681	447678136	/nfs/dbraw/zinc/67/81/36/447678136.db2.gz	USYPCZJRXCQOED-XLLXOSNRSA-N	2	0	334.552	1.819	20	30		EDEDRP
C[C@H]([NH2+]C[C@@H](O)COc1ccc(CC#N)cc1)C1CC[NH+](C)CC1	ZINC000591739649	448477289	/nfs/dbraw/zinc/47/72/89/448477289.db2.gz	OYXRHZBVBVIOEA-MAUKXSAKSA-N	2	0	331.460	1.812	20	30		EDEDRP
CN1CCC([N@@H+]2CC[C@H](NC(=O)Cc3c(F)cccc3C#N)C2)CC1	ZINC000586779800	448810199	/nfs/dbraw/zinc/81/01/99/448810199.db2.gz	BPPDJISJDHCPHK-HNNXBMFYSA-N	2	0	344.434	1.525	20	30		EDEDRP
CCN(CC[NH3+])C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000599923772	449110267	/nfs/dbraw/zinc/11/02/67/449110267.db2.gz	ZZCHSTFMFPKCRP-UHFFFAOYSA-N	2	0	329.448	1.513	20	30		EDEDRP
N#CCCCC[C@H]([NH3+])C(=O)NCC1CC[NH+](Cc2ccncc2)CC1	ZINC000595938972	449267579	/nfs/dbraw/zinc/26/75/79/449267579.db2.gz	SEXBAYHKIUFZPX-SFHVURJKSA-N	2	0	343.475	1.821	20	30		EDEDRP
N#CC1(C[C@H](O)C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)CC1	ZINC000600741605	449528334	/nfs/dbraw/zinc/52/83/34/449528334.db2.gz	FSGDPCFJDNVJGQ-OALUTQOASA-N	2	0	343.471	1.788	20	30		EDEDRP
CN1CCN(c2cc[nH+]cc2NC(=O)[C@H]([NH3+])CCCCC#N)CC1	ZINC000594438534	449518674	/nfs/dbraw/zinc/51/86/74/449518674.db2.gz	JXJSELHWEQLDPU-CQSZACIVSA-N	2	0	330.436	1.183	20	30		EDEDRP
C=CC[NH+]1CCC(NC(=O)N2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)CC1	ZINC000626969811	451040789	/nfs/dbraw/zinc/04/07/89/451040789.db2.gz	APSHSABEBOUVCB-JSGCOSHPSA-N	2	0	348.413	1.806	20	30		EDEDRP
C[C@@H]1CCC[NH+](CC#CC[N@H+]2CCC[C@H](C)[C@H]2CCO)[C@H]1CCO	ZINC000661498482	452300514	/nfs/dbraw/zinc/30/05/14/452300514.db2.gz	LTPLETAPXVGUBF-JVSBHGNQSA-N	2	0	336.520	1.956	20	30		EDEDRP
C=CC[C@@]1(C(=O)NCC2([NH+]3CCCCC3)CCOCC2)CCC[NH2+]1	ZINC000662732713	453459433	/nfs/dbraw/zinc/45/94/33/453459433.db2.gz	NPPNCGULRAUACE-IBGZPJMESA-N	2	0	335.492	1.836	20	30		EDEDRP
C#CCNC(=O)[C@H](C)[NH+]1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1	ZINC000177491521	527026207	/nfs/dbraw/zinc/02/62/07/527026207.db2.gz	RLACXVIPQAMMSV-BBWFWOEESA-N	2	0	335.492	1.336	20	30		EDEDRP
CC[NH+]=C(NCC1([NH+](C)C)CCOCC1)N1CCSC(C)(C)C1	ZINC000126512344	528803918	/nfs/dbraw/zinc/80/39/18/528803918.db2.gz	TYQXSZBPATULAH-UHFFFAOYSA-N	2	0	342.553	1.890	20	30		EDEDRP
CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(OCC[NH+](C)C)cc1	ZINC000264077653	535549073	/nfs/dbraw/zinc/54/90/73/535549073.db2.gz	HQIJQJCCZJVFLG-QGZVFWFLSA-N	3	0	347.507	1.516	20	30		EDEDRP
COc1ccc(C(C)=NNC2=[NH+]C[C@H](C)N2)cc1C[NH+]1CCCC1	ZINC000779805867	580497994	/nfs/dbraw/zinc/49/79/94/580497994.db2.gz	URYNTQUMNMHJLK-ZDUSSCGKSA-N	2	0	329.448	1.952	20	30		EDEDRP
C[NH+]1CCC(C[NH2+][C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1	ZINC000893475307	590894688	/nfs/dbraw/zinc/89/46/88/590894688.db2.gz	MRNMAHOUWBOLHW-SFHVURJKSA-N	2	0	326.444	1.985	20	30		EDEDRP
N#Cc1ccc(C[N@H+]2CCCN(C(=O)NC[C@H]3C[C@H]([NH3+])C3)CC2)cc1	ZINC000892582700	591080859	/nfs/dbraw/zinc/08/08/59/591080859.db2.gz	HNVRCSSFLOOYCI-IYARVYRRSA-N	2	0	341.459	1.513	20	30		EDEDRP
C[NH+]1CC[C@H]1CNc1cc(NC[C@H]2CC[N@H+]2C)cc(C#N)c1[N+](=O)[O-]	ZINC000895771655	591270349	/nfs/dbraw/zinc/27/03/49/591270349.db2.gz	OFQNPPYSQBICGR-CABCVRRESA-N	2	0	344.419	1.698	20	30		EDEDRP
Cc1cc(C#N)cc(C)c1C[N@@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1	ZINC000903476058	592176083	/nfs/dbraw/zinc/17/60/83/592176083.db2.gz	MHMBVAAOQLMQKH-JQHSSLGASA-N	2	0	340.427	1.542	20	30		EDEDRP
CC[NH+]1CCN(C[C@@H](C)C[NH2+]C[C@H](O)c2ccc(C#N)cc2)CC1	ZINC000819058367	593736374	/nfs/dbraw/zinc/73/63/74/593736374.db2.gz	JGFJGSMFAHIWQD-LPHOPBHVSA-N	2	0	330.476	1.455	20	30		EDEDRP
CC[C@@H](C#N)Oc1cccc(C[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)c1	ZINC000819068750	593737205	/nfs/dbraw/zinc/73/72/05/593737205.db2.gz	RQROTGOPJLMVDK-ROUUACIJSA-N	2	0	346.475	1.065	20	30		EDEDRP
C#CCN1CCN(C(=O)c2ccc3[nH]c4c(c3c2)CN(C)CC4)CC1	ZINC000827519538	594678320	/nfs/dbraw/zinc/67/83/20/594678320.db2.gz	PBZAWDHEOADHPU-UHFFFAOYSA-N	2	0	336.439	1.547	20	30		EDEDRP
C=C(C[NH+](C)C)C(=O)N1CCO[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]21	ZINC000846444743	595234243	/nfs/dbraw/zinc/23/42/43/595234243.db2.gz	WLSGQSUNJHMTQH-RBUKOAKNSA-N	2	0	343.471	1.606	20	30		EDEDRP
O=C(C#CC1CC[NH2+]CC1)N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1	ZINC000852906631	595609248	/nfs/dbraw/zinc/60/92/48/595609248.db2.gz	MFKDGWVYXSEHHW-ROUUACIJSA-N	2	0	329.419	1.390	20	30		EDEDRP
N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)N1C[C@@H](C[NH3+])Cc2ccccc21	ZINC000868050827	596669376	/nfs/dbraw/zinc/66/93/76/596669376.db2.gz	ZLBZJXUAVZIOPB-FOIQADDNSA-N	2	0	346.434	1.909	20	30		EDEDRP
CN(C[C@H](O)C[NH2+]C1CCN(c2ccccc2C#N)CC1)C1CC1	ZINC000872222275	596841972	/nfs/dbraw/zinc/84/19/72/596841972.db2.gz	RKHJOAHAVQCYFL-GOSISDBHSA-N	2	0	328.460	1.572	20	30		EDEDRP
N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N1CCC([NH2+]CC2CC2)CC1	ZINC000876537717	597232749	/nfs/dbraw/zinc/23/27/49/597232749.db2.gz	ABYZQRANWPNJDR-IBGZPJMESA-N	2	0	338.455	1.736	20	30		EDEDRP
CC1CC[NH+](CCCNC(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)CC1	ZINC000876713309	597300185	/nfs/dbraw/zinc/30/01/85/597300185.db2.gz	ZBLXDXSQPNCYJH-IBGZPJMESA-N	2	0	340.471	1.983	20	30		EDEDRP
C[C@H](CCO)[NH+](C)Cc1cc(C#N)cc(C[N@@H+](C)[C@H](C)CCO)c1	ZINC000878812581	597721482	/nfs/dbraw/zinc/72/14/82/597721482.db2.gz	QTFZVSDTGPGCIF-HZPDHXFCSA-N	2	0	333.476	1.964	20	30		EDEDRP
N#C[C@H]1C[NH2+]CC12CC(C(=O)N1CCC[C@H](C3CC[NH2+]CC3)C1)C2	ZINC000884396150	598092244	/nfs/dbraw/zinc/09/22/44/598092244.db2.gz	VTYDFNVMSGGQQG-WPZCVXBKSA-N	2	0	330.476	1.364	20	30		EDEDRP
C=C(C)CC[NH+]1CC(CNC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)C1	ZINC001031727633	697966615	/nfs/dbraw/zinc/96/66/15/697966615.db2.gz	NJIOAEHKFQHCMG-GOSISDBHSA-N	2	0	335.492	1.644	20	30		EDEDRP
C=C(C)CC[NH+]1CC(N2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)CC2)C1	ZINC000941410369	701516969	/nfs/dbraw/zinc/51/69/69/701516969.db2.gz	FCXHVIHFTPNMQT-IBGZPJMESA-N	2	0	346.519	1.123	20	30		EDEDRP
C=CCC[NH+]1CC(N2CCN(C(=O)CC[C@H]3CCC[N@H+]3C)CC2)C1	ZINC000941442903	701542628	/nfs/dbraw/zinc/54/26/28/701542628.db2.gz	HCZUZMMRRQPIKZ-QGZVFWFLSA-N	2	0	334.508	1.265	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)NCC2C[NH+](Cc3ccc(C)cc3)C2)CC1	ZINC001032205408	702057283	/nfs/dbraw/zinc/05/72/83/702057283.db2.gz	YDBFCMVYVRIFFK-UHFFFAOYSA-N	2	0	339.483	1.888	20	30		EDEDRP
C=C(C)CC[N@@H+]1CC[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@H](C)C1	ZINC000942058076	702507654	/nfs/dbraw/zinc/50/76/54/702507654.db2.gz	SPTPZEKBQPVQAV-SJORKVTESA-N	2	0	347.507	1.851	20	30		EDEDRP
C#CC[NH2+][C@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)CC1(C)C	ZINC000996335612	702718312	/nfs/dbraw/zinc/71/83/12/702718312.db2.gz	ZHYPISCQVAUQHN-QYZOEREBSA-N	2	0	339.483	1.792	20	30		EDEDRP
C=C(Br)C[NH2+]C1CCN(C(=O)C[NH+]2CCCC2)CC1	ZINC000997307101	703565527	/nfs/dbraw/zinc/56/55/27/703565527.db2.gz	PBGNPAZOQRUZIV-UHFFFAOYSA-N	2	0	330.270	1.571	20	30		EDEDRP
C=CCC[NH+]1CCC([C@@H](C)NC(=O)c2cnn(CC[NH+](C)C)c2)CC1	ZINC000997347786	703576296	/nfs/dbraw/zinc/57/62/96/703576296.db2.gz	FSJXZGRMDIJZHY-MRXNPFEDSA-N	2	0	347.507	1.851	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)N2CCC([NH2+]Cc3ccns3)CC2)CC1	ZINC000997362714	703596680	/nfs/dbraw/zinc/59/66/80/703596680.db2.gz	BLMSQGRNVCUZMS-UHFFFAOYSA-N	2	0	346.500	1.569	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)N2CCC([NH2+]Cc3conc3C)CC2)CC1	ZINC000997364915	703598250	/nfs/dbraw/zinc/59/82/50/703598250.db2.gz	OTNZXNABZNOXRS-UHFFFAOYSA-N	2	0	344.459	1.409	20	30		EDEDRP
C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]([NH2+]Cc2ccc(C#N)cc2)C(C)(C)C1	ZINC000995551002	703955357	/nfs/dbraw/zinc/95/53/57/703955357.db2.gz	LLAULSZCKVPWRQ-QZTJIDSGSA-N	2	0	340.471	1.979	20	30		EDEDRP
C#CCC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3C[N@@H+]4CCC[C@@H]4CO3)CC[C@@H]2C1	ZINC000946597704	704292872	/nfs/dbraw/zinc/29/28/72/704292872.db2.gz	HDZICFQSQMLJPP-HCXYKTFWSA-N	2	0	345.487	1.043	20	30		EDEDRP
CC#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+]4CCC[C@@H]4CO3)CC[C@@H]2C1	ZINC000946597963	704309320	/nfs/dbraw/zinc/30/93/20/704309320.db2.gz	SCUQFUNPLFROKZ-HCXYKTFWSA-N	2	0	345.487	1.043	20	30		EDEDRP
C#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1	ZINC001004436080	704410568	/nfs/dbraw/zinc/41/05/68/704410568.db2.gz	DDFWZZYHHGKVNA-RTBURBONSA-N	2	0	329.488	1.664	20	30		EDEDRP
CN(C(=O)[C@@H]1CCC[N@@H+]1C)C1CC([NH2+]Cc2cc(F)ccc2C#N)C1	ZINC000998548939	705984608	/nfs/dbraw/zinc/98/46/08/705984608.db2.gz	JBRKCNQDXOGBAU-ABHNRTSZSA-N	2	0	344.434	1.871	20	30		EDEDRP
C=C(Br)C[NH2+]C1CC(N(C)C(=O)C[NH+]2CCCC2)C1	ZINC000999834818	707467909	/nfs/dbraw/zinc/46/79/09/707467909.db2.gz	WSOBBGFCVWWPQY-UHFFFAOYSA-N	2	0	330.270	1.570	20	30		EDEDRP
CN(C(=O)C12CC[NH+](CC1)C2)C1CC([NH2+]Cc2ccc(C#N)cc2)C1	ZINC000999708846	707301324	/nfs/dbraw/zinc/30/13/24/707301324.db2.gz	OVOUMAVJIBXJRR-UHFFFAOYSA-N	2	0	338.455	1.733	20	30		EDEDRP
C=C(Br)C[NH2+]C1CC(N(C)C(=O)[C@@H]2CC[N@H+](C)C2)C1	ZINC000999832183	707462706	/nfs/dbraw/zinc/46/27/06/707462706.db2.gz	PXEWQJRWVFMFQC-PNESKVBLSA-N	2	0	330.270	1.426	20	30		EDEDRP
C[C@@H]1CC[N@H+](CC(=O)N(C)[C@@H]2CC[NH+](Cc3ccc(C#N)cc3)C2)C1	ZINC001033420387	707831064	/nfs/dbraw/zinc/83/10/64/707831064.db2.gz	OSKWVUBYUTXVGS-VQIMIIECSA-N	2	0	340.471	1.933	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)NCC2CC[NH+](C[C@H](F)CC)CC2)CC1	ZINC001002145977	708660124	/nfs/dbraw/zinc/66/01/24/708660124.db2.gz	VJANUKDDHYJALJ-GOSISDBHSA-N	2	0	337.483	1.908	20	30		EDEDRP
C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC001003631773	710460756	/nfs/dbraw/zinc/46/07/56/710460756.db2.gz	VCUOWZFWEPABDR-BEFAXECRSA-N	2	0	340.471	1.837	20	30		EDEDRP
C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccccc1C#N	ZINC001034885209	711289185	/nfs/dbraw/zinc/28/91/85/711289185.db2.gz	QVIQAOWMYZOCFS-MSOLQXFVSA-N	2	0	326.444	1.733	20	30		EDEDRP
C#CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](CC(C)C)C3)CC[C@@H]2C1	ZINC000946621307	711908007	/nfs/dbraw/zinc/90/80/07/711908007.db2.gz	TZQSONRBSCPGAO-OTWHNJEPSA-N	2	0	331.504	1.768	20	30		EDEDRP
C[NH+](C)CCNC(=O)C1CC[NH+](Cc2ccc(C#N)cc2F)CC1	ZINC000195519214	139019447	/nfs/dbraw/zinc/01/94/47/139019447.db2.gz	SYWAUPNIROHIML-UHFFFAOYSA-N	2	0	332.423	1.587	20	30		EDEDRP
C=CCOc1ccc(C[N@@H+]2CCC[C@H](N3CCNCC3=O)C2)cc1	ZINC000362688460	250182947	/nfs/dbraw/zinc/18/29/47/250182947.db2.gz	ZUOANUHHGFIGNF-KRWDZBQOSA-N	2	0	329.444	1.648	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)N2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)CC1	ZINC000378225344	250297937	/nfs/dbraw/zinc/29/79/37/250297937.db2.gz	SYLXZNKQXLQNDJ-RCCFBDPRSA-N	2	0	333.476	1.042	20	30		EDEDRP
CCOC(=O)C1([C@@H](C)[NH2+]CCOc2ccc(C#N)cc2)CC[NH2+]CC1	ZINC000422993438	252022808	/nfs/dbraw/zinc/02/28/08/252022808.db2.gz	SWJHUZQOXMIZCG-OAHLLOKOSA-N	2	0	345.443	1.848	20	30		EDEDRP
N#CCCC[C@@H]([NH3+])C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1	ZINC000424176260	252154340	/nfs/dbraw/zinc/15/43/40/252154340.db2.gz	RRNLDPZIJLADKA-QZTJIDSGSA-N	2	0	344.459	1.415	20	30		EDEDRP
CC[C@H](CNC(=O)[C@@H]([NH3+])CCCC#N)[N@@H+]1CCc2ccccc2C1	ZINC000424132921	252135619	/nfs/dbraw/zinc/13/56/19/252135619.db2.gz	LHERRYCZBKMTEZ-MSOLQXFVSA-N	2	0	328.460	1.961	20	30		EDEDRP
Cc1cc(C[NH+]2CCC(C(=O)NCC[NH+](C)C)CC2)ccc1C#N	ZINC000345148951	143057713	/nfs/dbraw/zinc/05/77/13/143057713.db2.gz	LOEYCCSGFWHLFA-UHFFFAOYSA-N	2	0	328.460	1.757	20	30		EDEDRP
CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc(C#N)cn1C	ZINC000081729035	287315148	/nfs/dbraw/zinc/31/51/48/287315148.db2.gz	ANTDXUFLZBOFLM-MRXNPFEDSA-N	2	0	331.464	1.385	20	30		EDEDRP
C[NH+](C)C(C)(C)CNC1=[NH+]C[C@H]2CN(C(=O)OC(C)(C)C)CCN12	ZINC000133861595	276762472	/nfs/dbraw/zinc/76/24/72/276762472.db2.gz	OHKHAVQPWGLHOB-ZDUSSCGKSA-N	2	0	339.484	1.207	20	30		EDEDRP
C[C@H](C[NH2+]Cc1ccc(N(C)CCC#N)cc1)N1CC[NH+](C)CC1	ZINC000105467604	441256278	/nfs/dbraw/zinc/25/62/78/441256278.db2.gz	GYMQJHBQTGIAAN-QGZVFWFLSA-N	2	0	329.492	1.762	20	30		EDEDRP
CC[NH+]=C(NC[C@@H](O)c1cccc(F)c1)N1CC[C@@H]([NH+]2CC=CC2)C1	ZINC000153476901	442284741	/nfs/dbraw/zinc/28/47/41/442284741.db2.gz	GMZAQLLDFMXMFN-QZTJIDSGSA-N	2	0	346.450	1.771	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)CC1	ZINC000247921047	442873131	/nfs/dbraw/zinc/87/31/31/442873131.db2.gz	BUKNZTMLSKKEEN-RTBURBONSA-N	2	0	325.456	1.893	20	30		EDEDRP
COC[C@@H](C)NC(=[NH2+])NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1	ZINC000190535569	443130883	/nfs/dbraw/zinc/13/08/83/443130883.db2.gz	WZZRMAJPIXLEQD-WBVHZDCISA-N	2	0	334.464	1.217	20	30		EDEDRP
C[NH+]=C(NC[C@@H]1C[NH+]2CCN1CC2)N[C@H](C)c1cc2ccccc2o1	ZINC000262824522	443214048	/nfs/dbraw/zinc/21/40/48/443214048.db2.gz	ZKPBCWXFOYQTDG-GDBMZVCRSA-N	2	0	341.459	1.659	20	30		EDEDRP
C[NH+]=C(NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1)NC1CC1	ZINC000264798845	443430728	/nfs/dbraw/zinc/43/07/28/443430728.db2.gz	XQHMLWGBGZBLHH-INIZCTEOSA-N	2	0	343.475	1.211	20	30		EDEDRP
C#CCN(Cc1ccccc1)Cc1cnc(N2CCN(C)CC2)nc1	ZINC000289674802	444189056	/nfs/dbraw/zinc/18/90/56/444189056.db2.gz	NSTRXHSVLLCLMJ-UHFFFAOYSA-N	2	0	335.455	1.864	20	30		EDEDRP
C#CC[N@H+](C)CCCNC(=O)NCC1CCN(c2cc[nH+]cc2)CC1	ZINC000296798724	444255038	/nfs/dbraw/zinc/25/50/38/444255038.db2.gz	HXPHRANTHPIYMD-UHFFFAOYSA-N	2	0	343.475	1.552	20	30		EDEDRP
C#CC[N@@H+](C)CCCNC(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C	ZINC000297589128	444304870	/nfs/dbraw/zinc/30/48/70/444304870.db2.gz	FCQUVOWOOLLRMO-KRWDZBQOSA-N	2	0	334.439	1.683	20	30		EDEDRP
CC[N@@H+]1CCCN(C(=O)N[C@@H](c2nccn2C)C2CCOCC2)CC1	ZINC000329260852	444515199	/nfs/dbraw/zinc/51/51/99/444515199.db2.gz	AQGDFPYUHBSLIX-MRXNPFEDSA-N	2	0	349.479	1.829	20	30		EDEDRP
C[C@@H]1CC[C@](CO)([NH+](C)CC#CC[N@@H+](C)[C@@]2(CO)CC[C@@H](C)C2)C1	ZINC000342168984	444545935	/nfs/dbraw/zinc/54/59/35/444545935.db2.gz	OVNOUZSETNDTFY-ZRNYENFQSA-N	2	0	336.520	1.956	20	30		EDEDRP
CN(CCC[N@H+](C)CC(=O)NC1(C#N)CCCCC1)CC[NH+](C)C	ZINC000344026444	444737249	/nfs/dbraw/zinc/73/72/49/444737249.db2.gz	JUXMUTAORLRZRL-UHFFFAOYSA-N	2	0	337.512	1.144	20	30		EDEDRP
C=CCNC(=O)[C@H](C)[N@H+](C)C[C@H]1CCCN(C)[C@@H]1c1ccnn1C	ZINC000346910654	445227967	/nfs/dbraw/zinc/22/79/67/445227967.db2.gz	CJGYWQJTJHFUPA-UXLLHSPISA-N	2	0	333.480	1.426	20	30		EDEDRP
C[C@H](C[NH+](C)C)NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1	ZINC000358524801	445632940	/nfs/dbraw/zinc/63/29/40/445632940.db2.gz	VDMPWVASNKJAMS-MRXNPFEDSA-N	2	0	343.475	1.726	20	30		EDEDRP
C#CCOc1ccc(C[NH2+][C@@H]2CCN(C3CC[NH+](C)CC3)C2)cc1	ZINC000369292938	446053148	/nfs/dbraw/zinc/05/31/48/446053148.db2.gz	JTPLPBRSVSCBNZ-GOSISDBHSA-N	2	0	327.472	1.957	20	30		EDEDRP
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCCC[NH2+]C1	ZINC000418367660	446517073	/nfs/dbraw/zinc/51/70/73/446517073.db2.gz	KYQJIGCECQCODJ-GOSISDBHSA-N	2	0	343.475	1.774	20	30		EDEDRP
C=CC[NH+]1CCC(NC(=O)NC[C@@H]2[NH2+]CCc3ccccc32)CC1	ZINC000557149234	448182375	/nfs/dbraw/zinc/18/23/75/448182375.db2.gz	KHVPSGFHHJYMGN-SFHVURJKSA-N	2	0	328.460	1.823	20	30		EDEDRP
C[NH+]1CCC(CC[NH2+]C[C@@H](O)COc2ccc(CC#N)cc2)CC1	ZINC000569594471	449054306	/nfs/dbraw/zinc/05/43/06/449054306.db2.gz	BWGWIWOVBUUZMR-GOSISDBHSA-N	2	0	331.460	1.814	20	30		EDEDRP
CC(C)[N@H+](C)C[C@H](O)CN1CCC[NH+](Cc2ccc(C#N)cc2)CC1	ZINC000590602555	449215074	/nfs/dbraw/zinc/21/50/74/449215074.db2.gz	KZTQIJGHPFWABL-FQEVSTJZSA-N	2	0	344.503	1.767	20	30		EDEDRP
C=CC[C@@]1(C(=O)N2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)CCC[NH2+]1	ZINC000595946226	449273218	/nfs/dbraw/zinc/27/32/18/449273218.db2.gz	BPKPDHIVTKNMDM-MJGOQNOKSA-N	2	0	334.508	1.312	20	30		EDEDRP
Cc1cc(NC[C@@H](C)C[NH+](C)C)c(C#N)c(NC[C@H](C)C[NH+](C)C)n1	ZINC000596238524	449433477	/nfs/dbraw/zinc/43/34/77/449433477.db2.gz	UZDDQWXFLZMATL-CABCVRRESA-N	2	0	346.523	2.481	20	30		EDEDRP
N#Cc1ccc(C2([NH2+]C[C@@H]3CCC4(C[NH2+]C4)O3)CCOCC2)cc1	ZINC000600740534	449527452	/nfs/dbraw/zinc/52/74/52/449527452.db2.gz	IZTGFAKGZFDWMK-KRWDZBQOSA-N	2	0	327.428	1.675	20	30		EDEDRP
N#CCCCC[C@@H]([NH3+])C(=O)NC1CC[NH+](Cc2cccnc2)CC1	ZINC000594439010	449517427	/nfs/dbraw/zinc/51/74/27/449517427.db2.gz	YMCQLLJMUWVCOT-QGZVFWFLSA-N	2	0	329.448	1.573	20	30		EDEDRP
CC(C)(C#N)C[C@@H](O)C[NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1	ZINC000598723100	449564411	/nfs/dbraw/zinc/56/44/11/449564411.db2.gz	DUYVINVHMHHXPR-QZTJIDSGSA-N	2	0	331.460	1.644	20	30		EDEDRP
C[C@H](CC1(C#N)CCOCC1)[NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1	ZINC000602549442	449667909	/nfs/dbraw/zinc/66/79/09/449667909.db2.gz	VVQLQVTYOVMUKB-SJORKVTESA-N	2	0	334.508	1.843	20	30		EDEDRP
C=CC[C@@]1(C(=O)NCC2([NH+]3CCCCC3)CCN(C)CC2)CCC[NH2+]1	ZINC000662756498	453494736	/nfs/dbraw/zinc/49/47/36/453494736.db2.gz	HPOIFXJNSOVCDR-FQEVSTJZSA-N	2	0	348.535	1.751	20	30		EDEDRP
C=CC[C@@]1(C(=O)NC2CC[NH+](Cc3cccnc3)CC2)CCC[NH2+]1	ZINC000662792153	453527898	/nfs/dbraw/zinc/52/78/98/453527898.db2.gz	ZNIVHLMYLQROSS-IBGZPJMESA-N	2	0	328.460	1.861	20	30		EDEDRP
C=C(C[NH+](C)C)C(=O)NCc1ccccc1C[N@@H+]1CCC[C@H]1CO	ZINC000764662554	580126107	/nfs/dbraw/zinc/12/61/07/580126107.db2.gz	ACFOWLFQZZOHLR-SFHVURJKSA-N	2	0	331.460	1.377	20	30		EDEDRP
C[NH+]1CCC2(CC[N@@H+]2C[C@@H](O)COc2ccc(CC#N)cc2)CC1	ZINC000899909634	591977199	/nfs/dbraw/zinc/97/71/99/591977199.db2.gz	FVNYMNCFNORYPV-QGZVFWFLSA-N	2	0	329.444	1.662	20	30		EDEDRP
C[NH+]=C(NCCCC[NH+]1CCN(c2ncccn2)CC1)NC(C)(C)C	ZINC000912496995	593100199	/nfs/dbraw/zinc/10/01/99/593100199.db2.gz	JXKRRLHMIUQMCJ-UHFFFAOYSA-N	2	0	347.511	1.342	20	30		EDEDRP
C#C[C@@H]([NH2+]CC[C@H](C)CC[NH2+][C@@H](C#C)[C@@H]1CCCO1)[C@@H]1CCCO1	ZINC000839564281	593338973	/nfs/dbraw/zinc/33/89/73/593338973.db2.gz	PMGCRLQXFMTGEO-WPVAHCMFSA-N	2	0	332.488	1.944	20	30		EDEDRP
O=C(C#CC1CC[NH2+]CC1)N[C@H]1CCC[N@H+](Cc2ccccc2)C1	ZINC000852860801	595581782	/nfs/dbraw/zinc/58/17/82/595581782.db2.gz	VGQHJWNTRUSTSL-IBGZPJMESA-N	2	0	325.456	1.770	20	30		EDEDRP
[NH3+][C@@H]1CN(C(=O)C#CC2CC[NH2+]CC2)CC[C@H]1c1ccc(F)cc1	ZINC000852892210	595601881	/nfs/dbraw/zinc/60/18/81/595601881.db2.gz	HPKINNKVDPUPQF-ZWKOTPCHSA-N	2	0	329.419	1.472	20	30		EDEDRP
C=C(Cl)C[C@@H]([NH3+])C(=O)NCc1cccc(OCC[NH+](C)C)c1	ZINC000876719237	597303517	/nfs/dbraw/zinc/30/35/17/597303517.db2.gz	GLWQIEIRJLDSKF-OAHLLOKOSA-N	2	0	325.840	1.713	20	30		EDEDRP
CCC1([NH+]2CCOCC2)CCN(C(=O)C#CC2CC[NH2+]CC2)CC1	ZINC000877081376	597427947	/nfs/dbraw/zinc/42/79/47/597427947.db2.gz	NDICEHHXQIUPQJ-UHFFFAOYSA-N	2	0	333.476	1.093	20	30		EDEDRP
C[NH+](C)CCN(CC[NH+](C)C)C(=O)Nc1cc(C#N)c(F)cc1F	ZINC000880713585	597998576	/nfs/dbraw/zinc/99/85/76/597998576.db2.gz	RSCIAIYSEXAAOR-UHFFFAOYSA-N	2	0	339.390	1.794	20	30		EDEDRP
N#C[C@H]1C[NH2+]CC12CC(C(=O)NC[C@H]1CCC[N@H+](CC3CC3)C1)C2	ZINC000884421697	598100565	/nfs/dbraw/zinc/10/05/65/598100565.db2.gz	BNOSJPZUDZOIFN-XNGIKWSVSA-N	2	0	330.476	1.364	20	30		EDEDRP
C#CC[NH+]1CCC(NC(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)CC1	ZINC000918861121	697217851	/nfs/dbraw/zinc/21/78/51/697217851.db2.gz	JKGAKHUVEILAHU-SFHVURJKSA-N	2	0	348.491	1.027	20	30		EDEDRP
C=C(C)C[NH+]1CC(CNC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1	ZINC001031679038	697498401	/nfs/dbraw/zinc/49/84/01/697498401.db2.gz	DZRMCHYFHLFIML-MSOLQXFVSA-N	2	0	335.492	1.357	20	30		EDEDRP
C=C(C)C[N@@H+]1CC[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@H](C)C1	ZINC000943518991	698434596	/nfs/dbraw/zinc/43/45/96/698434596.db2.gz	VFYZODYAXKPZLY-NVXWUHKLSA-N	2	0	333.480	1.461	20	30		EDEDRP
C=CCC[NH+]1CC(N2CCN(C(=O)CC3CC[NH+](C)CC3)CC2)C1	ZINC000941595896	701587538	/nfs/dbraw/zinc/58/75/38/701587538.db2.gz	RHFNJGHNRYZPCO-UHFFFAOYSA-N	2	0	334.508	1.123	20	30		EDEDRP
C#CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C(C)(C)C1	ZINC000940901662	700976635	/nfs/dbraw/zinc/97/66/35/700976635.db2.gz	PVPDEXXFZAVDDS-ZEVUXNIQSA-N	2	0	345.487	1.090	20	30		EDEDRP
C#CC[NH+]1CCC(NC(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)CC1	ZINC000921678152	706615751	/nfs/dbraw/zinc/61/57/51/706615751.db2.gz	ILXCSXMCHHMSCN-MOPGFXCFSA-N	2	0	340.471	1.829	20	30		EDEDRP
C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCC1CN(Cc2ccc(C#N)s2)C1	ZINC001031978033	701983921	/nfs/dbraw/zinc/98/39/21/701983921.db2.gz	MRTKVVXDURMLRW-BLLLJJGKSA-N	2	0	332.473	1.365	20	30		EDEDRP
C=C(Br)C[NH2+]C1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1	ZINC000997297953	703556189	/nfs/dbraw/zinc/55/61/89/703556189.db2.gz	HSIDRWVPRSLNDN-GFCCVEGCSA-N	2	0	330.270	1.427	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)N2CCC([NH2+]Cc3nocc3C)CC2)CC1	ZINC000997365985	703599756	/nfs/dbraw/zinc/59/97/56/703599756.db2.gz	XEYMHEHXMPKMBQ-UHFFFAOYSA-N	2	0	344.459	1.409	20	30		EDEDRP
C#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1	ZINC001004436076	704410560	/nfs/dbraw/zinc/41/05/60/704410560.db2.gz	DDFWZZYHHGKVNA-RBUKOAKNSA-N	2	0	329.488	1.664	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)N[C@@H](C)C2CC[NH+](CC#CC)CC2)CC1	ZINC000997873957	704778789	/nfs/dbraw/zinc/77/87/89/704778789.db2.gz	IIBRVRIDDQLXJJ-KRWDZBQOSA-N	2	0	329.488	1.572	20	30		EDEDRP
C=CC[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C2CCOCC2)C1	ZINC001034240077	709623340	/nfs/dbraw/zinc/62/33/40/709623340.db2.gz	GIRSTIDDCWPGST-AEFFLSMTSA-N	2	0	335.492	1.787	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCC[N@@H+]([C@H](C)COC)C2)CC1	ZINC001034539182	710212856	/nfs/dbraw/zinc/21/28/56/710212856.db2.gz	WSJAVYUGGUNWGV-SJLPKXTDSA-N	2	0	335.492	1.337	20	30		EDEDRP
C#CCN1CCC[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](CCC2CCOCC2)C1	ZINC001033161910	712250622	/nfs/dbraw/zinc/25/06/22/712250622.db2.gz	OMVAJNLXCJGIOT-MOPGFXCFSA-N	2	0	347.503	1.433	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)Nc2ncc(C3CC[NH2+]CC3)s2)CC1	ZINC000376141756	250284699	/nfs/dbraw/zinc/28/46/99/250284699.db2.gz	DTZLWLBIXSYXNW-UHFFFAOYSA-N	2	0	332.473	1.894	20	30		EDEDRP
COc1ccc([C@H](CNC(=O)[C@@H]([NH3+])CCCC#N)[NH+]2CCCC2)cc1	ZINC000424127594	252133908	/nfs/dbraw/zinc/13/39/08/252133908.db2.gz	BDNXMMLWLQVIPW-ROUUACIJSA-N	2	0	344.459	1.969	20	30		EDEDRP
C[NH+](C)[C@@H]1CCN(c2ccc(C#N)c(N3CC[C@H]([NH+](C)C)C3)n2)C1	ZINC000278477581	266511402	/nfs/dbraw/zinc/51/14/02/266511402.db2.gz	VDVKZTAIAVHLRD-CVEARBPZSA-N	2	0	328.464	1.234	20	30		EDEDRP
COc1cc(C[NH2+]C[C@H](N2CC[NH2+]CC2)C(F)(F)F)ccc1C#N	ZINC000414966521	447377691	/nfs/dbraw/zinc/37/76/91/447377691.db2.gz	GMTAIZVPNVFMNN-HNNXBMFYSA-N	2	0	342.365	1.493	20	30		EDEDRP
C[NH+]=C(NC[C@@H]1CCC[N@@H+]1C)N[C@@H]1CCN(c2ccccc2OC)C1	ZINC000158695555	441756422	/nfs/dbraw/zinc/75/64/22/441756422.db2.gz	AXIMIYMAZXTSTK-CVEARBPZSA-N	2	0	345.491	1.533	20	30		EDEDRP
C[NH+]=C(N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)NC1CC[NH+](C(C)C)CC1	ZINC000162202855	442074074	/nfs/dbraw/zinc/07/40/74/442074074.db2.gz	FGOGJXAIFJCPMI-BBWFWOEESA-N	2	0	334.508	1.982	20	30		EDEDRP
CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H](c1cccc(OC)c1)N(C)C	ZINC000264056203	443247010	/nfs/dbraw/zinc/24/70/10/443247010.db2.gz	AXLBXDREQOTHLS-SJLPKXTDSA-N	2	0	347.507	1.687	20	30		EDEDRP
COc1ccc(CNC(=[NH2+])NCC2([NH+](C)C)CCCC2)cc1OC	ZINC000264062105	443247496	/nfs/dbraw/zinc/24/74/96/443247496.db2.gz	CZCITUFWAPZNKR-UHFFFAOYSA-N	2	0	334.464	1.983	20	30		EDEDRP
CC[C@H](CNC(=[NH2+])NCc1ccc(OC)c(OC)c1)[NH+]1CCCC1	ZINC000264098978	443248620	/nfs/dbraw/zinc/24/86/20/443248620.db2.gz	NNWFRDKHXLATLF-OAHLLOKOSA-N	2	0	334.464	1.983	20	30		EDEDRP
COc1ccc(CCNC(=[NH2+])NC[C@H](C)C[NH+]2CCCC2)cc1OC	ZINC000264115616	443249397	/nfs/dbraw/zinc/24/93/97/443249397.db2.gz	SNYYTXPQBCDUFD-HNNXBMFYSA-N	2	0	348.491	1.883	20	30		EDEDRP
COc1ccc(CNC[C@](C)(O)C[NH+](C)C)cc1OCCCC#N	ZINC000269847109	443454704	/nfs/dbraw/zinc/45/47/04/443454704.db2.gz	WXSDUPGCAIVCHU-SFHVURJKSA-N	2	0	335.448	1.780	20	30		EDEDRP
COCCCCON=C(N)CCN1CC[NH+](Cc2ccccc2)CC1	ZINC000270437675	443471385	/nfs/dbraw/zinc/47/13/85/443471385.db2.gz	HYOMAALNKULVOM-UHFFFAOYSA-N	2	0	348.491	1.910	20	30		EDEDRP
NC(=NOC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)[C@@H]1CCCO1	ZINC000289439430	444144881	/nfs/dbraw/zinc/14/48/81/444144881.db2.gz	TUAISZBONFCUMM-IRXDYDNUSA-N	2	0	333.432	1.745	20	30		EDEDRP
CCOC(=O)N1CCC(NC(=[NH2+])NC[C@H](C)C[NH+]2CCCC2)CC1	ZINC000303869195	444237841	/nfs/dbraw/zinc/23/78/41/444237841.db2.gz	DRXKPGIBUUZWTF-AWEZNQCLSA-N	2	0	339.484	1.244	20	30		EDEDRP
C#CC[NH+](C)CCCNC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000297473515	444290491	/nfs/dbraw/zinc/29/04/91/444290491.db2.gz	LUVBUGVVPGWRDP-LJQANCHMSA-N	2	0	342.487	1.857	20	30		EDEDRP
C[N@H+](CCO)C1CCN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[NH+]3C)CC1	ZINC000330064229	444831574	/nfs/dbraw/zinc/83/15/74/444831574.db2.gz	CCLCSYMUGHWKAB-ZXFUBFMLSA-N	2	0	338.496	1.304	20	30		EDEDRP
CC[N@@H+]1CCC[C@@H]1CNC(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1	ZINC000330233791	444899978	/nfs/dbraw/zinc/89/99/78/444899978.db2.gz	SHNBGHYJQYFTMX-ZACQAIPSSA-N	2	0	338.496	1.352	20	30		EDEDRP
CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCC1(C#N)CCC1	ZINC000419624966	447304544	/nfs/dbraw/zinc/30/45/44/447304544.db2.gz	KWRQGPSZVIQVSI-INIZCTEOSA-N	2	0	335.496	1.738	20	30		EDEDRP
C=C[C@@H]1OCC[C@H]1NC(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@H+]1CC	ZINC000459036804	447547210	/nfs/dbraw/zinc/54/72/10/447547210.db2.gz	UIOKQJFEQYKZEC-BBWFWOEESA-N	2	0	338.496	1.387	20	30		EDEDRP
C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1	ZINC000487238952	447828421	/nfs/dbraw/zinc/82/84/21/447828421.db2.gz	IECQLRSFTREJBP-AEFFLSMTSA-N	2	0	340.471	1.859	20	30		EDEDRP
C#CCN1CCN(C(=O)C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)CC1	ZINC000490914839	447908769	/nfs/dbraw/zinc/90/87/69/447908769.db2.gz	JPCXLTDGMOUITK-AWEZNQCLSA-N	2	0	330.388	1.023	20	30		EDEDRP
C#CC[N@H+](C)CCCNC(=O)NC[C@H]1CC[NH+](Cc2ccccc2)C1	ZINC000491778963	448119056	/nfs/dbraw/zinc/11/90/56/448119056.db2.gz	JPRVIASKLOCPJJ-LJQANCHMSA-N	2	0	342.487	1.763	20	30		EDEDRP
N#Cc1ccc(CN2CC[C@H]([NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@H]4C3)C2=O)cc1	ZINC000592470823	448852096	/nfs/dbraw/zinc/85/20/96/448852096.db2.gz	KGHZULWSBMHWGS-MANSERQUSA-N	2	0	338.455	1.637	20	30		EDEDRP
C[C@@H](CC[NH3+])NC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000593714567	449157553	/nfs/dbraw/zinc/15/75/53/449157553.db2.gz	YSJJIGUSNKULFT-AWEZNQCLSA-N	2	0	329.448	1.559	20	30		EDEDRP
N#CCCC[C@H]([NH3+])C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000593919501	449287445	/nfs/dbraw/zinc/28/74/45/449287445.db2.gz	XCXIQTUJADGATD-SFHVURJKSA-N	2	0	339.443	1.660	20	30		EDEDRP
CN1CCC(CNC(=O)[C@@H]([NH3+])CCCCC#N)([NH+]2CCCCC2)CC1	ZINC000594439473	449517444	/nfs/dbraw/zinc/51/74/44/449517444.db2.gz	QWJOCDOYBWLTEA-KRWDZBQOSA-N	2	0	349.523	1.464	20	30		EDEDRP
C[NH+]1CCC(C[NH2+]C[C@H](O)CC(C)(C)C#N)(N2CCCCC2)CC1	ZINC000598721282	449563176	/nfs/dbraw/zinc/56/31/76/449563176.db2.gz	UKQLIGDAYXRZEP-QGZVFWFLSA-N	2	0	336.524	1.827	20	30		EDEDRP
CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H](C)CC2(C#N)CCOCC2)CC1	ZINC000602542375	449663864	/nfs/dbraw/zinc/66/38/64/449663864.db2.gz	WGJMIKSKOLDWPO-QZTJIDSGSA-N	2	0	336.524	1.949	20	30		EDEDRP
CCC1([NH+]2CCOCC2)CCN(C(=O)[C@H]([NH3+])CCCCC#N)CC1	ZINC000602572058	449680837	/nfs/dbraw/zinc/68/08/37/449680837.db2.gz	JNAJLIMNWDCVDH-MRXNPFEDSA-N	2	0	336.480	1.501	20	30		EDEDRP
C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@@H](C)CN(C)CCC[NH+](C)C	ZINC000665183028	453602849	/nfs/dbraw/zinc/60/28/49/453602849.db2.gz	TUDDLILSKZBGOI-JYJNAYRXSA-N	2	0	326.485	1.149	20	30		EDEDRP
CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1cccc(OCC[NH+](C)C)c1	ZINC000104163132	529100165	/nfs/dbraw/zinc/10/01/65/529100165.db2.gz	BKRAIESUOULWRZ-KRWDZBQOSA-N	3	0	347.507	1.516	20	30		EDEDRP
N#CCCN(CCN1CCOCC1)C(=O)Nc1ccccc1C[NH3+]	ZINC000904652433	592303954	/nfs/dbraw/zinc/30/39/54/592303954.db2.gz	BTCYVJJYXJPULT-UHFFFAOYSA-N	2	0	331.420	1.225	20	30		EDEDRP
C#CCN1CCC[C@@H]([NH2+]C[C@@]2(O)CCN(Cc3ccccc3)C2)C1	ZINC000905460849	592541471	/nfs/dbraw/zinc/54/14/71/592541471.db2.gz	OBCVYYGXBWSOMH-UXHICEINSA-N	2	0	327.472	1.311	20	30		EDEDRP
N#Cc1ccc([C@H](O)C[NH2+]C2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)cc1	ZINC000819172329	593742587	/nfs/dbraw/zinc/74/25/87/593742587.db2.gz	DAXVPCNHFIBIES-CEXWTWQISA-N	2	0	329.444	1.559	20	30		EDEDRP
C[C@H](NN=Cc1cnc(N2CCN(C)CC2)nc1)c1ccncc1	ZINC000819816912	593770703	/nfs/dbraw/zinc/77/07/03/593770703.db2.gz	RXGIBPHJXKLGRP-AWEZNQCLSA-N	2	0	325.420	1.308	20	30		EDEDRP
C#CC[C@@H]1CCC[N@@H+](CC(=O)N2CCN(Cc3ccco3)CC2)C1	ZINC000829804650	594268093	/nfs/dbraw/zinc/26/80/93/594268093.db2.gz	JKYWFZRVZNRALM-QGZVFWFLSA-N	2	0	329.444	1.659	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)N2CCC([N@@H+]3CCCOCC3)CC2)CC1	ZINC000861984838	596169851	/nfs/dbraw/zinc/16/98/51/596169851.db2.gz	NEBHHGRPSFBDGF-UHFFFAOYSA-N	2	0	333.476	1.045	20	30		EDEDRP
CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)[C@H](C)C1	ZINC000867945126	596628616	/nfs/dbraw/zinc/62/86/16/596628616.db2.gz	RGIIGYGCRAQQGT-MDASCCDHSA-N	2	0	340.471	1.934	20	30		EDEDRP
C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC(OCC[NH+]2CCCC2)CC1	ZINC000876774392	597334800	/nfs/dbraw/zinc/33/48/00/597334800.db2.gz	UPCHCVLABYHXFS-HNNXBMFYSA-N	2	0	329.872	1.560	20	30		EDEDRP
N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1	ZINC000876786926	597339959	/nfs/dbraw/zinc/33/99/59/597339959.db2.gz	RACIPOBDZJKHIC-UHOSZYNNSA-N	2	0	338.455	1.736	20	30		EDEDRP
COCC[N@H+](C[C@H](O)c1ccc(C#N)cc1)CC1CC[NH+](C)CC1	ZINC000879125282	597827109	/nfs/dbraw/zinc/82/71/09/597827109.db2.gz	WWKWELPZCKPGQJ-IBGZPJMESA-N	2	0	331.460	1.882	20	30		EDEDRP
CC(C)(C)CC[NH+]1CCN(C(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)CC1	ZINC000884197903	598024905	/nfs/dbraw/zinc/02/49/05/598024905.db2.gz	IHVUYMAALONYPR-KOHRHEQBSA-N	2	0	332.492	1.706	20	30		EDEDRP
N#C[C@H]1C[NH2+]CC12CC(C(=O)N1CCC[N@@H+](C3CCCC3)CC1)C2	ZINC000884208635	598030445	/nfs/dbraw/zinc/03/04/45/598030445.db2.gz	GSCWSCYWJZCZLR-WUJZJPHMSA-N	2	0	330.476	1.603	20	30		EDEDRP
C[C@@H](CNC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N)[N@H+](C)Cc1ccccc1	ZINC000884219906	598032966	/nfs/dbraw/zinc/03/29/66/598032966.db2.gz	AQEPHSREUQTBFX-DGZYCVBISA-N	2	0	340.471	1.762	20	30		EDEDRP
C=CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)c3cnn(CC[NH+](C)C)c3)C[C@@H]21	ZINC000992834290	695396994	/nfs/dbraw/zinc/39/69/94/695396994.db2.gz	OFEPUUQVBIMJHK-BPQIPLTHSA-N	2	0	345.491	1.461	20	30		EDEDRP
C#CCC[N@H+]1CCC[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@H]1C	ZINC000993371139	696021942	/nfs/dbraw/zinc/02/19/42/696021942.db2.gz	YPJUBPCKZNBFTN-CVEARBPZSA-N	2	0	331.464	1.051	20	30		EDEDRP
C[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1[NH2+]Cc1ccc(C#N)s1	ZINC000939545300	699687443	/nfs/dbraw/zinc/68/74/43/699687443.db2.gz	NNDDVYJHBLGVKF-XJKSGUPXSA-N	2	0	344.484	1.652	20	30		EDEDRP
C[C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1[NH2+]Cc1ccccc1C#N	ZINC000939757415	699924353	/nfs/dbraw/zinc/92/43/53/699924353.db2.gz	YFOPZUKURREEJV-MAUKXSAKSA-N	2	0	326.444	1.591	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cccnc3)C2)CC1	ZINC000939808782	699957410	/nfs/dbraw/zinc/95/74/10/699957410.db2.gz	GSKJNVMPVYMTNJ-VQIMIIECSA-N	2	0	340.471	1.363	20	30		EDEDRP
CC#CC[NH+]1CCC2(CCN(C(=O)[C@@H](C)C[NH+]3CCOCC3)C2)CC1	ZINC001040940941	701696525	/nfs/dbraw/zinc/69/65/25/701696525.db2.gz	HRVJURRNJCIVOV-SFHVURJKSA-N	2	0	347.503	1.293	20	30		EDEDRP
C=C(Br)C[NH2+]C1CCN(C(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)CC1	ZINC000997003527	703267402	/nfs/dbraw/zinc/26/74/02/703267402.db2.gz	AIYGTTCUDWTRNP-SMDDNHRTSA-N	2	0	344.297	1.673	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)N(CC)[C@@H]2CCC[N@H+](CCO)CC2)CC1	ZINC000998193592	705497705	/nfs/dbraw/zinc/49/77/05/705497705.db2.gz	BKFHIHFRJXJQKI-GOSISDBHSA-N	2	0	335.492	1.027	20	30		EDEDRP
CN(C(=O)[C@@H]1CC[N@H+](C)C1)C1CC([NH2+]Cc2ccc(C#N)c(F)c2)C1	ZINC000999835447	707469142	/nfs/dbraw/zinc/46/91/42/707469142.db2.gz	GAIBRWGKUORUDP-KLAILNCOSA-N	2	0	344.434	1.728	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)N(C)[C@H]2CC[N@H+](CCC(F)(F)F)C2)CC1	ZINC001033688619	708495877	/nfs/dbraw/zinc/49/58/77/708495877.db2.gz	SBBPHXRLYDFKHL-HNNXBMFYSA-N	2	0	345.409	1.817	20	30		EDEDRP
C=C(C)CC[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1	ZINC001034321130	709771303	/nfs/dbraw/zinc/77/13/03/709771303.db2.gz	RRPLUKLMQFJMPS-NRGCRIOASA-N	2	0	347.503	1.787	20	30		EDEDRP
CN(CC#CCN(C)[C@H]1CC[N@@H+](C2CC2)C1)[C@H]1CC[NH+](C2CC2)C1	ZINC000341883841	282337809	/nfs/dbraw/zinc/33/78/09/282337809.db2.gz	ORJQAIBKZZEJAE-PMACEKPBSA-N	2	0	330.520	1.327	20	30		EDEDRP
C=CC[NH+](CC=C)[C@H](CNC(=O)[C@@H]1C[N@@H+]2CCN1CCC2)C(C)C	ZINC000343172359	250010591	/nfs/dbraw/zinc/01/05/91/250010591.db2.gz	SCXSGUIUUZOEEZ-MSOLQXFVSA-N	2	0	334.508	1.191	20	30		EDEDRP
C=CC[NH+](CC=C)[C@H](CNC(=O)[C@H]1C[N@@H+]2CCN1CCC2)C(C)C	ZINC000343172360	250011831	/nfs/dbraw/zinc/01/18/31/250011831.db2.gz	SCXSGUIUUZOEEZ-QZTJIDSGSA-N	2	0	334.508	1.191	20	30		EDEDRP
C[C@H]([NH2+][C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)c1ccc(C#N)cc1F	ZINC000423455720	270012401	/nfs/dbraw/zinc/01/24/01/270012401.db2.gz	NBDZFGKOITZBLB-WILYLXEWSA-N	2	0	344.434	1.995	20	30		EDEDRP
N#Cc1ccc(C[N@H+]2CCCN(C(=O)NC[C@@H]([NH3+])C3CC3)CC2)cc1	ZINC000418484298	268218339	/nfs/dbraw/zinc/21/83/39/268218339.db2.gz	CTDGAIBHPNROQI-GOSISDBHSA-N	2	0	341.459	1.513	20	30		EDEDRP
C[NH+]=C(NCc1ccnc(N2CC[NH+](C)CC2)c1)NCC1CCC1	ZINC000083821953	441376127	/nfs/dbraw/zinc/37/61/27/441376127.db2.gz	QPWXJXXPAIWCGI-UHFFFAOYSA-N	2	0	330.480	1.299	20	30		EDEDRP
C[NH+]=C(NCc1cccc(N(C)C)n1)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C	ZINC000158484044	441739256	/nfs/dbraw/zinc/73/92/56/441739256.db2.gz	XSJNVANNQZHGAW-HOCLYGCPSA-N	2	0	332.496	1.541	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)N[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1	ZINC000184076865	442989542	/nfs/dbraw/zinc/98/95/42/442989542.db2.gz	SQCYJCUSKLPILC-PXNSSMCTSA-N	2	0	339.483	1.968	20	30		EDEDRP
C=CCOc1ccc(C[N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)cc1OC	ZINC000262099744	443183032	/nfs/dbraw/zinc/18/30/32/443183032.db2.gz	IPZBADNDOAUPMK-KRWDZBQOSA-N	2	0	331.460	1.740	20	30		EDEDRP
C[NH+]=C(NC[C@H](O)c1ccc(Cl)cc1)N1CC[C@H]([NH+]2CC=CC2)C1	ZINC000262776383	443211646	/nfs/dbraw/zinc/21/16/46/443211646.db2.gz	JKWPFOHVWJPAPA-IRXDYDNUSA-N	2	0	348.878	1.895	20	30		EDEDRP
C[NH+]=C(NCc1cccn1C)NC1CC[NH+](Cc2ccccn2)CC1	ZINC000262819392	443214182	/nfs/dbraw/zinc/21/41/82/443214182.db2.gz	XTHHOTGPNLYENY-UHFFFAOYSA-N	2	0	340.475	1.750	20	30		EDEDRP
C[N@H+](C[C@H](O)COc1ccc(C#N)cc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C	ZINC000285418641	443977227	/nfs/dbraw/zinc/97/72/27/443977227.db2.gz	GONZBALTUJLMCO-WFFDWFOESA-N	2	0	329.444	1.855	20	30		EDEDRP
C#CC[N@H+](C)CCCNC(=O)NCc1cc(C)nc(N2CCCC2)c1	ZINC000296981762	444266716	/nfs/dbraw/zinc/26/67/16/444266716.db2.gz	HGJKQSDMDTUYJZ-UHFFFAOYSA-N	2	0	343.475	1.745	20	30		EDEDRP
C[C@H](O)C[N@@H+]1CCN(C(=O)NCCC2CC[NH+](C)CC2)[C@H](C)C1	ZINC000329413244	444570341	/nfs/dbraw/zinc/57/03/41/444570341.db2.gz	DRKNTBGBXMIFPX-CABCVRRESA-N	2	0	326.485	1.019	20	30		EDEDRP
C[NH+](C)C[C@@H]1CCN(C(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)C1	ZINC000330119836	444851234	/nfs/dbraw/zinc/85/12/34/444851234.db2.gz	INLMOZFYVCDOQN-USXIJHARSA-N	2	0	338.496	1.162	20	30		EDEDRP
C(#CCN1CC[NH+](C2CCC2)CC1)CN1CC[NH+](C2CCC2)CC1	ZINC000341871539	445045664	/nfs/dbraw/zinc/04/56/64/445045664.db2.gz	DFNWPQFGWQMHTA-UHFFFAOYSA-N	2	0	330.520	1.330	20	30		EDEDRP
C=C(C)C[NH+]1CCC(NC(=O)NC[C@@]2([NH+](C)C)CCSC2)CC1	ZINC000360673367	445721745	/nfs/dbraw/zinc/72/17/45/445721745.db2.gz	AFDNSMCZGPSGCJ-KRWDZBQOSA-N	2	0	340.537	1.763	20	30		EDEDRP
C=CCN1CC[C@H]([NH+]2CCC(N3CC[NH+](C(C)C)CC3)CC2)C1=O	ZINC000377103459	446920458	/nfs/dbraw/zinc/92/04/58/446920458.db2.gz	HGQLGBYXZPMUDM-SFHVURJKSA-N	2	0	334.508	1.264	20	30		EDEDRP
C#CCNC(=O)CC[N@@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1	ZINC000491203827	447956354	/nfs/dbraw/zinc/95/63/54/447956354.db2.gz	ZOISEUYCUFVJCU-UHFFFAOYSA-N	2	0	348.535	1.254	20	30		EDEDRP
N#CCC[C@H](C#N)C[NH2+]CCN1CC[NH+](Cc2ccccc2)CC1	ZINC000560144451	448212487	/nfs/dbraw/zinc/21/24/87/448212487.db2.gz	XOHRQEQLDFOBOI-LJQANCHMSA-N	2	0	325.460	1.837	20	30		EDEDRP
CCC[N@H+](C)C[C@@H]1CCN(C[C@H](O)COc2ccccc2C#N)C1	ZINC000528398354	448511799	/nfs/dbraw/zinc/51/17/99/448511799.db2.gz	FTDXRBPUNBDSJR-WMZOPIPTSA-N	2	0	331.460	1.962	20	30		EDEDRP
N#Cc1cccc(C[NH+]2CCC(NC(=O)NCC3C[NH2+]C3)CC2)c1	ZINC000593714075	449157538	/nfs/dbraw/zinc/15/75/38/449157538.db2.gz	KJGBNTLDPOHZLE-UHFFFAOYSA-N	2	0	327.432	1.041	20	30		EDEDRP
C[N@@H+]1CC[C@H](C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)C1	ZINC000593883686	449261511	/nfs/dbraw/zinc/26/15/11/449261511.db2.gz	RRHIBLBCLJGCSY-KRWDZBQOSA-N	2	0	326.444	1.591	20	30		EDEDRP
C[C@H]1C[N@H+](CCC[NH2+]C[C@@H](O)CC2(C#N)CCOCC2)CCCO1	ZINC000600736348	449525695	/nfs/dbraw/zinc/52/56/95/449525695.db2.gz	XUYYHCAPVJVVLB-IRXDYDNUSA-N	2	0	339.480	1.148	20	30		EDEDRP
CN1CCC(CNC(=O)[C@H]([NH3+])CCCCC#N)([NH+]2CCCCC2)CC1	ZINC000594439474	449518587	/nfs/dbraw/zinc/51/85/87/449518587.db2.gz	QWJOCDOYBWLTEA-QGZVFWFLSA-N	2	0	349.523	1.464	20	30		EDEDRP
N#CCCCC[C@H]([NH3+])C(=O)Nc1cccc(C[NH+]2CCC(O)CC2)c1	ZINC000594440515	449519292	/nfs/dbraw/zinc/51/92/92/449519292.db2.gz	DSXXZPLDSAHQKD-SFHVURJKSA-N	2	0	344.459	1.993	20	30		EDEDRP
CC(C)C[N@@H+]1CC[C@H](C[NH2+]C[C@@H](O)COc2ccccc2C#N)C1	ZINC000600728873	449521031	/nfs/dbraw/zinc/52/10/31/449521031.db2.gz	CAIFXTGDQPXOSQ-SJLPKXTDSA-N	2	0	331.460	1.865	20	30		EDEDRP
C[NH+]1CCC2(CC[N@H+](CC(=O)NCc3cccc(C#N)c3)C2)CC1	ZINC000602877769	449885600	/nfs/dbraw/zinc/88/56/00/449885600.db2.gz	PXNSUDSEUWYGOY-UHFFFAOYSA-N	2	0	326.444	1.592	20	30		EDEDRP
C[NH+]1CCC2(CC[N@H+](C[C@@H](O)COc3ccccc3C#N)C2)CC1	ZINC000602877693	449886136	/nfs/dbraw/zinc/88/61/36/449886136.db2.gz	KFVAERAPXQSLBB-QGZVFWFLSA-N	2	0	329.444	1.716	20	30		EDEDRP
N#Cc1cnn2c1NC[C@@H](C[NH2+]Cc1ccc(-n3ccnc3)nc1)C2	ZINC000731151587	578668597	/nfs/dbraw/zinc/66/85/97/578668597.db2.gz	NGHVNPAWRYNMDG-CQSZACIVSA-N	2	0	334.387	1.167	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)N2CCN(c3cc[nH+]cc3)C[C@H]2C)CC1	ZINC000895275789	591696344	/nfs/dbraw/zinc/69/63/44/591696344.db2.gz	PEBZNRVFUOPNDF-MRXNPFEDSA-N	2	0	326.444	1.464	20	30		EDEDRP
C=CCCC[C@H](N)c1nc(CC(=O)N2CCC([NH+](C)C)CC2)no1	ZINC000904690701	592307978	/nfs/dbraw/zinc/30/79/78/592307978.db2.gz	BPDHADSVMJSANS-AWEZNQCLSA-N	2	0	335.452	1.521	20	30		EDEDRP
CC[N@@H+]1C[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	592546011	/nfs/dbraw/zinc/54/60/11/592546011.db2.gz	KBQBBEWLDRRZPI-BMGDNIKJSA-N	2	0	337.508	1.747	20	30		EDEDRP
C#CC[C@H]1CCC[N@@H+](CC(=O)N2CCN(Cc3ccco3)CC2)C1	ZINC000829804649	594268071	/nfs/dbraw/zinc/26/80/71/594268071.db2.gz	JKYWFZRVZNRALM-KRWDZBQOSA-N	2	0	329.444	1.659	20	30		EDEDRP
C#CC[NH+](C)CCCNC(=O)N[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C	ZINC000836402589	594959973	/nfs/dbraw/zinc/95/99/73/594959973.db2.gz	JRGUPFDWTUCSBX-MJGOQNOKSA-N	2	0	342.487	1.761	20	30		EDEDRP
C#CC[NH+](C)CCCNC(=O)N[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1	ZINC000836488114	594968701	/nfs/dbraw/zinc/96/87/01/594968701.db2.gz	GIDXWYOHQPZECI-MJGOQNOKSA-N	2	0	342.487	1.904	20	30		EDEDRP
CNC(NCCc1ccc(OCC[NH+]2C[C@H](C)[C@@H](C)C2)cc1)=[NH+]C	ZINC000849076910	595478632	/nfs/dbraw/zinc/47/86/32/595478632.db2.gz	YEBYVFCZZMWDLN-HOTGVXAUSA-N	2	0	332.492	1.991	20	30		EDEDRP
N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)N[C@H](C[NH3+])C1CCCCC1	ZINC000867966387	596637584	/nfs/dbraw/zinc/63/75/84/596637584.db2.gz	PKFYPVLPPOYTBY-QZTJIDSGSA-N	2	0	326.444	1.769	20	30		EDEDRP
N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)NCCC[NH+]1CCCCC1	ZINC000876711830	597298499	/nfs/dbraw/zinc/29/84/99/597298499.db2.gz	GKKWEZPGPJAFLL-GOSISDBHSA-N	2	0	326.444	1.737	20	30		EDEDRP
C[NH+](C)Cc1cccc(CNC(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)c1	ZINC000884184223	598017728	/nfs/dbraw/zinc/01/77/28/598017728.db2.gz	JVBQZFNVHNJSOV-HFCFLWKCSA-N	2	0	326.444	1.504	20	30		EDEDRP
COCC[C@@H]([NH3+])C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000884389076	598089678	/nfs/dbraw/zinc/08/96/78/598089678.db2.gz	OCTXQYMXGRRXRP-QGZVFWFLSA-N	2	0	330.432	1.003	20	30		EDEDRP
CC[NH+]1CC[C@H]1CNc1nc(NC[C@H]2CC[N@H+]2CC)ccc1C#N	ZINC000882959271	598117120	/nfs/dbraw/zinc/11/71/20/598117120.db2.gz	AAVBWIQFRBOJOS-CVEARBPZSA-N	2	0	328.464	1.965	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)N2C[C@@H]3CCC[C@H]([NH2+]CC4CC4)[C@H]3C2)CC1	ZINC000992926552	695457599	/nfs/dbraw/zinc/45/75/99/695457599.db2.gz	PEXVLLYMOULPGQ-UFYCRDLUSA-N	2	0	343.515	1.958	20	30		EDEDRP
C=C(C)C[NH2+][C@H]1CN(C(=O)c2cc(CN3CCCC3)on2)C[C@@H]1C	ZINC000939148409	699251319	/nfs/dbraw/zinc/25/13/19/699251319.db2.gz	TZMNMYGUWZAWDH-YOEHRIQHSA-N	2	0	332.448	1.897	20	30		EDEDRP
C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1[NH2+]Cc1ccc(C#N)cc1F	ZINC000939753913	699903933	/nfs/dbraw/zinc/90/39/33/699903933.db2.gz	JMCSBHZZLRPGNO-RDTXWAMCSA-N	2	0	344.434	1.730	20	30		EDEDRP
C#CC[N@@H+]1CC[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C(C)(C)C1	ZINC000940882773	700962639	/nfs/dbraw/zinc/96/26/39/700962639.db2.gz	YDCMUQLVHMIMOF-KRWDZBQOSA-N	2	0	337.427	1.731	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CC3CC3)CC2(C)C)CC1	ZINC000941237283	701427807	/nfs/dbraw/zinc/42/78/07/701427807.db2.gz	KHQHDDMUQKNFMH-SFHVURJKSA-N	2	0	331.504	1.958	20	30		EDEDRP
C=CCC[NH+]1CC(N2CCN(C(=O)C(C)(C)[NH+]3CCCCC3)CC2)C1	ZINC000941411243	701527343	/nfs/dbraw/zinc/52/73/43/701527343.db2.gz	WPGOCCOFDHTOGP-UHFFFAOYSA-N	2	0	348.535	1.655	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)NCC2C[NH+](CC3CC(OCC)C3)C2)CC1	ZINC001032205541	702019305	/nfs/dbraw/zinc/01/93/05/702019305.db2.gz	AMADKRWPWKEAGP-UHFFFAOYSA-N	2	0	347.503	1.195	20	30		EDEDRP
C=C(C)CC[NH+]1CCC2(CCN(C(=O)[C@H]3CN(CC)CCO3)C2)CC1	ZINC001040944979	702199467	/nfs/dbraw/zinc/19/94/67/702199467.db2.gz	KYZLXZIPMJLSFM-GOSISDBHSA-N	2	0	349.519	1.988	20	30		EDEDRP
C=CC[NH2+]C1CCN(C(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)CC1	ZINC000996592554	702898149	/nfs/dbraw/zinc/89/81/49/702898149.db2.gz	MMHDAHVQWGDRKC-MSOLQXFVSA-N	2	0	335.492	1.500	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)N2C[C@H]([NH2+]CC(=C)Cl)C(C)(C)C2)CC1	ZINC000996671938	702972979	/nfs/dbraw/zinc/97/29/79/702972979.db2.gz	PONBHWPUGCUQJZ-INIZCTEOSA-N	2	0	337.895	1.911	20	30		EDEDRP
C#CC[N@@H+]1CC[C@H](NC(=O)c2ccccc2CC[NH+](C)C)[C@@H](C)C1	ZINC000942530033	703030990	/nfs/dbraw/zinc/03/09/90/703030990.db2.gz	OKFJWBQMVLXLET-LPHOPBHVSA-N	2	0	327.472	1.864	20	30		EDEDRP
C=C(C)CN1CC[NH+](C2CCC(NC(=O)[C@H]3CCC[N@H+]3C)CC2)CC1	ZINC000996766254	703057533	/nfs/dbraw/zinc/05/75/33/703057533.db2.gz	PBRUKTQEGYJXNF-CTWPCTMYSA-N	2	0	348.535	1.702	20	30		EDEDRP
C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCC([NH2+]Cc2ccc(C#N)cc2)CC1	ZINC000997008459	703266527	/nfs/dbraw/zinc/26/65/27/703266527.db2.gz	MMNOQISOKLZLKT-BEFAXECRSA-N	2	0	340.471	1.837	20	30		EDEDRP
C[N@@H+]1CC[C@H](C(=O)N2CCC([NH2+]Cc3ccc(C#N)c(F)c3)CC2)C1	ZINC000997300867	703544438	/nfs/dbraw/zinc/54/44/38/703544438.db2.gz	YOYZRGTWTRHKRS-INIZCTEOSA-N	2	0	344.434	1.730	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)NC2CC[NH+](CCC(F)(F)F)CC2)CC1	ZINC001004200478	703926745	/nfs/dbraw/zinc/92/67/45/703926745.db2.gz	AFRQLTRFOKRZBB-UHFFFAOYSA-N	2	0	345.409	1.865	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)N[C@@H](C)C2CC[NH+](C[C@@H](C)OC)CC2)CC1	ZINC000997873993	704778986	/nfs/dbraw/zinc/77/89/86/704778986.db2.gz	IQTFPDWKJZKJGD-SJORKVTESA-N	2	0	349.519	1.583	20	30		EDEDRP
CN(C(=O)[C@H]1CC[N@H+](C)C1)C1CC([NH2+]Cc2ccc(C#N)cc2)C1	ZINC000999836748	707471845	/nfs/dbraw/zinc/47/18/45/707471845.db2.gz	LFFKDIHYBWSLRP-AOCRQIFASA-N	2	0	326.444	1.589	20	30		EDEDRP
C=CCC[NH+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)nn2)C1	ZINC000999986227	707657331	/nfs/dbraw/zinc/65/73/31/707657331.db2.gz	GAEAQXWRMBWSQJ-DJIMGWMZSA-N	2	0	346.479	1.057	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)N(CC)[C@@H]2CC[N@@H+](C[C@H](CC)OC)C2)CC1	ZINC001034044899	709297024	/nfs/dbraw/zinc/29/70/24/709297024.db2.gz	FVYHBTFVJKEYCO-MOPGFXCFSA-N	2	0	349.519	1.679	20	30		EDEDRP
C#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCc4nccn43)CC[C@@H]2C1	ZINC000946623297	711922878	/nfs/dbraw/zinc/92/28/78/711922878.db2.gz	GKPVTBCIUDMICH-IXDOHACOSA-N	2	0	326.444	1.564	20	30		EDEDRP
C[NH+]=C(NCc1nccn1CC(C)C)N1CC[C@@H]([NH+]2CC=CC2)C1	ZINC000262651839	249321879	/nfs/dbraw/zinc/32/18/79/249321879.db2.gz	JQSGUYXMKJETQL-MRXNPFEDSA-N	2	0	330.480	1.561	20	30		EDEDRP
COc1ccc(CNC(=[NH2+])NCC2(C)CC[NH+](C)CC2)cc1OC	ZINC000272400005	249461860	/nfs/dbraw/zinc/46/18/60/249461860.db2.gz	MUKBVIRUJJBYNH-UHFFFAOYSA-N	2	0	334.464	1.840	20	30		EDEDRP
C=CC[NH+]1CCC(NC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)CC1	ZINC000358786354	250144790	/nfs/dbraw/zinc/14/47/90/250144790.db2.gz	JLFFIKSKWDSUPV-QGZVFWFLSA-N	2	0	338.496	1.293	20	30		EDEDRP
CC[C@@H](CNC(=O)[C@H]([NH3+])CCCC#N)[N@@H+]1CCc2ccccc2C1	ZINC000424132924	252135970	/nfs/dbraw/zinc/13/59/70/252135970.db2.gz	LHERRYCZBKMTEZ-ZWKOTPCHSA-N	2	0	328.460	1.961	20	30		EDEDRP
C#CCN1CCN(C(=O)CN[C@@H](CC)c2ccc(F)cc2F)CC1	ZINC000490922159	255109099	/nfs/dbraw/zinc/10/90/99/255109099.db2.gz	BXPOXXLHOBJZJE-KRWDZBQOSA-N	2	0	335.398	1.783	20	30		EDEDRP
N#Cc1ccccc1OC[C@H](O)C[NH+]1CCC(N2CCOCC2)CC1	ZINC000528550273	268298751	/nfs/dbraw/zinc/29/87/51/268298751.db2.gz	HOIRAIGFCBBFAQ-GOSISDBHSA-N	2	0	345.443	1.095	20	30		EDEDRP
C[NH+]=C(NC[C@H]1C[N@H+](C)CCN1C)N[C@H](C)c1cc2ccccc2o1	ZINC000088806244	441524279	/nfs/dbraw/zinc/52/42/79/441524279.db2.gz	UPOUZKPIFXUTLB-ZBFHGGJFSA-N	2	0	343.475	1.905	20	30		EDEDRP
CN(C(=O)C[N@H+](C)CCCN1CC[NH+](C)CC1)C1(C#N)CCCCC1	ZINC000174725701	441960497	/nfs/dbraw/zinc/96/04/97/441960497.db2.gz	UMONVJCIVMMLTB-UHFFFAOYSA-N	2	0	349.523	1.241	20	30		EDEDRP
C=C(C)C[NH+]1CCC(NC(=O)N2CCC([N@H+](C)CCO)CC2)CC1	ZINC000163008394	442138425	/nfs/dbraw/zinc/13/84/25/442138425.db2.gz	SPSTWIRNESAWKR-UHFFFAOYSA-N	2	0	338.496	1.125	20	30		EDEDRP
CCOCCCNC(=[NH2+])NCC1(N2CCCCC2)CC[NH+](C)CC1	ZINC000178585817	442445922	/nfs/dbraw/zinc/44/59/22/442445922.db2.gz	PWIBCXWFXKSZBE-UHFFFAOYSA-N	2	0	339.528	1.268	20	30		EDEDRP
C=CC[NH+](CC=C)[C@H](CNC(=O)C[C@H]1CSCC[NH2+]1)C(C)C	ZINC000236682437	443143876	/nfs/dbraw/zinc/14/38/76/443143876.db2.gz	WCJGOULHJPPENZ-JKSUJKDBSA-N	2	0	325.522	1.896	20	30		EDEDRP
C[NH+]=C(NCCn1cnc2ccccc21)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C	ZINC000261942094	443174345	/nfs/dbraw/zinc/17/43/45/443174345.db2.gz	DSNPGYRXYZOZLR-NVXWUHKLSA-N	2	0	342.491	1.930	20	30		EDEDRP
CC[NH+]=C(NC[C@H]1C[NH+]2CCN1CC2)N[C@@H]1CCOc2ccccc21	ZINC000262816524	443214148	/nfs/dbraw/zinc/21/41/48/443214148.db2.gz	WYTTVKHRGZMLML-DOTOQJQBSA-N	2	0	343.475	1.065	20	30		EDEDRP
CC[NH+]1CCN(Cc2ccc(CNC(=[NH2+])N[C@H](C)COC)cc2)CC1	ZINC000264063400	443247263	/nfs/dbraw/zinc/24/72/63/443247263.db2.gz	ACUJNGKUHTZQEP-MRXNPFEDSA-N	2	0	347.507	1.263	20	30		EDEDRP
CC[NH+]1CCN(c2ccc(CNC(=[NH2+])N3CCOCC3)cc2F)CC1	ZINC000267405192	443445714	/nfs/dbraw/zinc/44/57/14/443445714.db2.gz	GUWPDLXDFLWRAU-UHFFFAOYSA-N	2	0	349.454	1.115	20	30		EDEDRP
N#CCCCNC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1	ZINC000273218154	443564359	/nfs/dbraw/zinc/56/43/59/443564359.db2.gz	URXYJLZLSDSKCT-UHFFFAOYSA-N	2	0	330.436	1.197	20	30		EDEDRP
C[NH+](CC#CC[N@H+](C)CCCn1ccnc1)CCCn1ccnc1	ZINC000276322517	443686855	/nfs/dbraw/zinc/68/68/55/443686855.db2.gz	PANNYXAELBNHIE-UHFFFAOYSA-N	2	0	328.464	1.427	20	30		EDEDRP
C[C@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1cnc2ccc(C#N)cn12	ZINC000342773939	444861210	/nfs/dbraw/zinc/86/12/10/444861210.db2.gz	GLBWUTOQNDERJE-OAHLLOKOSA-N	2	0	326.448	1.322	20	30		EDEDRP
O=C(NCc1cn2c(n1)CCCC2)N1CC[NH+](C[C@@H]2CCOC2)CC1	ZINC000330178479	444875201	/nfs/dbraw/zinc/87/52/01/444875201.db2.gz	DSSGAQALXRUFKV-HNNXBMFYSA-N	2	0	347.463	1.288	20	30		EDEDRP
C=CCN1CC[C@@H]([NH+]2CCC(CCC[N@@H+](C)CCOC)CC2)C1=O	ZINC000337183507	444976671	/nfs/dbraw/zinc/97/66/71/444976671.db2.gz	NQSCBYLFMIASCA-GOSISDBHSA-N	2	0	337.508	1.844	20	30		EDEDRP
C#CCOc1ccccc1C[NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1	ZINC000364204923	445901435	/nfs/dbraw/zinc/90/14/35/445901435.db2.gz	CRLCRSWRCUZBJD-GOSISDBHSA-N	2	0	327.472	1.957	20	30		EDEDRP
C#CC[NH+](C)CCCNC(=O)N1CC[N@H+](CCOC)[C@@H](CCC)C1	ZINC000491370819	448005773	/nfs/dbraw/zinc/00/57/73/448005773.db2.gz	BGDVJRJOPKDOFR-KRWDZBQOSA-N	2	0	338.496	1.084	20	30		EDEDRP
C#CCN1C(=O)C[C@H]([NH+]2CCC(CCC[NH+]3CCCC3)CC2)C1=O	ZINC000491254517	447973508	/nfs/dbraw/zinc/97/35/08/447973508.db2.gz	TURCJLCOJFXAGV-KRWDZBQOSA-N	2	0	331.460	1.335	20	30		EDEDRP
CN(CCC#N)C[C@@H](O)C[NH2+]Cc1ccccc1C[NH+]1CCCCC1	ZINC000574072047	448786118	/nfs/dbraw/zinc/78/61/18/448786118.db2.gz	PXMSNIBSQVBTMZ-FQEVSTJZSA-N	2	0	344.503	1.968	20	30		EDEDRP
N#Cc1cccc(C[NH+]2CCC(NC(=O)N[C@H]3CCC[NH2+]C3)CC2)c1	ZINC000593712066	449156866	/nfs/dbraw/zinc/15/68/66/449156866.db2.gz	ICEIUFZOICHYHY-SFHVURJKSA-N	2	0	341.459	1.574	20	30		EDEDRP
C[NH+]1CCC(C[NH2+]Cc2cccc(F)c2C#N)(N2CCOCC2)CC1	ZINC000602018816	449278283	/nfs/dbraw/zinc/27/82/83/449278283.db2.gz	CIQNTMJZYPQBRU-UHFFFAOYSA-N	2	0	346.450	1.584	20	30		EDEDRP
N#Cc1cccc(C[NH+]2CCC(NC(=O)[C@@H]3CCO[C@@H]3C[NH3+])CC2)c1	ZINC000595959019	449282205	/nfs/dbraw/zinc/28/22/05/449282205.db2.gz	LIACLQPYQRLOHB-QZTJIDSGSA-N	2	0	342.443	1.003	20	30		EDEDRP
N#CC1(C[C@H](O)C[N@@H+]2CCCN(c3cc[nH+]cc3)CC2)CCOCC1	ZINC000602849518	449857567	/nfs/dbraw/zinc/85/75/67/449857567.db2.gz	RPYKZMFMMISGHB-SFHVURJKSA-N	2	0	344.459	1.665	20	30		EDEDRP
CN1CCN(C(=O)CC[N@@H+]2CCc3c(CC#N)cccc3C2)CC1	ZINC000599677722	450145453	/nfs/dbraw/zinc/14/54/53/450145453.db2.gz	KJZJHRHLVGFYFM-UHFFFAOYSA-N	2	0	326.444	1.275	20	30		EDEDRP
C=CC[NH+](CC=C)[C@@H](CNC(=O)NCC1([NH3+])CCOCC1)C(C)C	ZINC000626936430	451018527	/nfs/dbraw/zinc/01/85/27/451018527.db2.gz	JWHZJKYOVKUOJW-INIZCTEOSA-N	2	0	338.496	1.492	20	30		EDEDRP
C=CC[NH+]1CCC(NC(=O)N[C@@H](C)CN(C)CCC[NH+](C)C)CC1	ZINC000664020774	452722175	/nfs/dbraw/zinc/72/21/75/452722175.db2.gz	UCKDZNAOCLXDRC-INIZCTEOSA-N	3	0	339.528	1.208	20	30		EDEDRP
C=C1C[C@H]2CC[C@@H](C1)[NH+]2CC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1	ZINC000662079503	452824989	/nfs/dbraw/zinc/82/49/89/452824989.db2.gz	GVMVKGKOGSWDKU-FGTMMUONSA-N	2	0	335.492	1.642	20	30		EDEDRP
C=CC[C@]1(C(=O)NCc2ccccc2OCC[NH+](C)C)CCC[NH2+]1	ZINC000662701930	453424386	/nfs/dbraw/zinc/42/43/86/453424386.db2.gz	GDKSEVXDTQGPCW-LJQANCHMSA-N	2	0	331.460	1.942	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)CC1	ZINC000126763225	526923241	/nfs/dbraw/zinc/92/32/41/526923241.db2.gz	OGLRHIWQIBQOMY-HKUYNNGSSA-N	2	0	329.488	1.807	20	30		EDEDRP
CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccnc(-n2cccn2)c1	ZINC000104164110	529100997	/nfs/dbraw/zinc/10/09/97/529100997.db2.gz	GZXCPBBLLMLGBD-HNNXBMFYSA-N	2	0	327.436	1.156	20	30		EDEDRP
CC(C)(C)[C@@H](Cn1ccnc1)[NH2+]C[C@H]1CNc2c(C#N)cnn2C1	ZINC000731150871	578668618	/nfs/dbraw/zinc/66/86/18/578668618.db2.gz	JDUDYYHLYTURQC-DZGCQCFKSA-N	2	0	327.436	1.697	20	30		EDEDRP
COC(=O)CCC[NH+]1CCC(=NNC2=[NH+][C@H]3CCCC[C@H]3N2)CC1	ZINC000753941096	579891774	/nfs/dbraw/zinc/89/17/74/579891774.db2.gz	WTAZVUUEKCZUOF-GASCZTMLSA-N	2	0	335.452	1.251	20	30		EDEDRP
C[NH+]1CCC(C[NH2+][C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1	ZINC000894005016	591166210	/nfs/dbraw/zinc/16/62/10/591166210.db2.gz	FRSNJBPKHYFYCJ-GOSISDBHSA-N	2	0	326.444	1.591	20	30		EDEDRP
C=C(CC[NH+](C)C)C(=O)NCc1ccc(CN2CC[NH+](C)CC2)cc1	ZINC000900209957	591944194	/nfs/dbraw/zinc/94/41/94/591944194.db2.gz	VNKMPIHHGHEJBD-UHFFFAOYSA-N	2	0	344.503	1.558	20	30		EDEDRP
CC[NH+](CC)CCOc1cccc(NC(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)c1	ZINC000904618774	592290459	/nfs/dbraw/zinc/29/04/59/592290459.db2.gz	XLVGLRJHLBCOPZ-WMLDXEAASA-N	2	0	345.447	1.640	20	30		EDEDRP
C#C[C@@H](NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1ccc(F)cc1	ZINC000820490788	593823524	/nfs/dbraw/zinc/82/35/24/593823524.db2.gz	QPBVLYOEPMRDOO-QGZVFWFLSA-N	2	0	334.439	1.635	20	30		EDEDRP
C[C@@H](CNC(=O)C#CC1CC[NH2+]CC1)[N@@H+]1CCc2ccccc2C1	ZINC000852863533	595584255	/nfs/dbraw/zinc/58/42/55/595584255.db2.gz	PQFPFXLYVOBKNQ-INIZCTEOSA-N	2	0	325.456	1.552	20	30		EDEDRP
CN(C)[C@H](CNC(=O)C#CC1CC[NH2+]CC1)c1c(F)cccc1F	ZINC000852871473	595590513	/nfs/dbraw/zinc/59/05/13/595590513.db2.gz	PDTBQBYMTXBHRH-MRXNPFEDSA-N	2	0	335.398	1.687	20	30		EDEDRP
N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)N[C@@H](C[NH3+])C1CCCCC1	ZINC000867966389	596637774	/nfs/dbraw/zinc/63/77/74/596637774.db2.gz	PKFYPVLPPOYTBY-ZWKOTPCHSA-N	2	0	326.444	1.769	20	30		EDEDRP
N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)NC[C@@H]1[NH2+]CCc2ccccc21	ZINC000867970439	596639089	/nfs/dbraw/zinc/63/90/89/596639089.db2.gz	BVHGZAVMXRQDFL-VQTJNVASSA-N	2	0	346.434	1.748	20	30		EDEDRP
N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N1CCC2(CC[NH2+]CC2)CC1	ZINC000867978435	596642784	/nfs/dbraw/zinc/64/27/84/596642784.db2.gz	KHOKIAJXAOXMLO-SFHVURJKSA-N	2	0	338.455	1.737	20	30		EDEDRP
C[NH+](C)C[C@@H]1CN(C(=O)Nc2cc(CC#N)ccn2)C[C@H]1C[NH+](C)C	ZINC000871736908	596682137	/nfs/dbraw/zinc/68/21/37/596682137.db2.gz	CLTNVOHKCBNXOD-HZPDHXFCSA-N	2	0	344.463	1.351	20	30		EDEDRP
N#Cc1cc(C[NH+](CCO)C2CC2)cc(C[N@@H+](CCO)C2CC2)c1	ZINC000877961407	597566420	/nfs/dbraw/zinc/56/64/20/597566420.db2.gz	LSTFYMLAVBFWQK-UHFFFAOYSA-N	2	0	329.444	1.472	20	30		EDEDRP
C#CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C(C)(C)C[NH+]3CCOCC3)C[C@H]21	ZINC000992757037	695287187	/nfs/dbraw/zinc/28/71/87/695287187.db2.gz	ZAIUKRRNSHZEFR-KZNAEPCWSA-N	2	0	347.503	1.195	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)NC2CN(C[C@H](OC)C3CCCC3)C2)CC1	ZINC001031435261	697102883	/nfs/dbraw/zinc/10/28/83/697102883.db2.gz	WDCPCLXLZFGHNC-IBGZPJMESA-N	2	0	347.503	1.337	20	30		EDEDRP
CC[C@@H]1[C@@H](C(=O)NCC2C[NH+](Cc3ccc(C#N)cc3)C2)CC[N@@H+]1C	ZINC001031684708	697512361	/nfs/dbraw/zinc/51/23/61/697512361.db2.gz	ZTFZHTXLTQBSBV-RBUKOAKNSA-N	2	0	340.471	1.837	20	30		EDEDRP
CCC[N@@H+]1CCC[C@@H]1C(=O)NCC1CN(CC#Cc2ccccc2)C1	ZINC001031710964	697715784	/nfs/dbraw/zinc/71/57/84/697715784.db2.gz	AYVFNOKWWCPNIP-HXUWFJFHSA-N	2	0	339.483	1.961	20	30		EDEDRP
C[C@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1[NH2+]Cc1ccc(C#N)s1	ZINC000939053984	699114041	/nfs/dbraw/zinc/11/40/41/699114041.db2.gz	CGVRZKLHYAVISL-GUYCJALGSA-N	2	0	346.500	1.898	20	30		EDEDRP
C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1[NH2+]Cc1cccc(C#N)c1	ZINC000939542966	699683776	/nfs/dbraw/zinc/68/37/76/699683776.db2.gz	AYWJUCZWMNHXQO-CRAIPNDOSA-N	2	0	338.455	1.591	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccccn3)C2)CC1	ZINC000939810517	699958727	/nfs/dbraw/zinc/95/87/27/699958727.db2.gz	NBDAYPOJAQDIOB-VQIMIIECSA-N	2	0	340.471	1.363	20	30		EDEDRP
C=CC[N@H+]1CC[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C(C)(C)C1	ZINC000940753972	700890683	/nfs/dbraw/zinc/89/06/83/700890683.db2.gz	RYPYKFBWBAYKMW-INIZCTEOSA-N	2	0	333.480	1.461	20	30		EDEDRP
C[N@@H+]1CC[C@H](C(=O)N2CCC([NH2+]Cc3cc(F)ccc3C#N)CC2)C1	ZINC000997298403	703556490	/nfs/dbraw/zinc/55/64/90/703556490.db2.gz	IZSBGXKNLFLMRR-HNNXBMFYSA-N	2	0	344.434	1.730	20	30		EDEDRP
CC[C@H](C(=O)N1C[C@@H]2C[C@H]1CN2Cc1ccc(C#N)cc1)[NH+](C)C	ZINC001032474676	703693601	/nfs/dbraw/zinc/69/36/01/703693601.db2.gz	IBUZHPRKWGLZAZ-OKZBNKHCSA-N	2	0	326.444	1.684	20	30		EDEDRP
C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H]([NH2+]Cc2ccc(C#N)cc2)C(C)(C)C1	ZINC000995551001	703955364	/nfs/dbraw/zinc/95/53/64/703955364.db2.gz	LLAULSZCKVPWRQ-MSOLQXFVSA-N	2	0	340.471	1.979	20	30		EDEDRP
C=CCC[N@H+]1CCC[C@H](N(CC)C(=O)[C@H]2CN(CC)CCO2)CC1	ZINC000998188839	705493894	/nfs/dbraw/zinc/49/38/94/705493894.db2.gz	KSHWEAVVYRCVAU-ZWKOTPCHSA-N	2	0	337.508	1.986	20	30		EDEDRP
C#CC[NH2+][C@H]1CN(C(=O)C[N@@H+](C)C2CCC2)CC[C@H]1C(F)(F)F	ZINC000998264900	705631020	/nfs/dbraw/zinc/63/10/20/705631020.db2.gz	COUMYOCCDBJICI-KGLIPLIRSA-N	2	0	331.382	1.473	20	30		EDEDRP
CN(C(=O)C[NH+]1CCCC1)C1CC([NH2+]Cc2cc(F)ccc2C#N)C1	ZINC000999832715	707463819	/nfs/dbraw/zinc/46/38/19/707463819.db2.gz	HCMVCFNZUAEGCN-UHFFFAOYSA-N	2	0	344.434	1.872	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)N(C)C2CC([NH2+]Cc3ocnc3C)C2)CC1	ZINC000999877117	707526257	/nfs/dbraw/zinc/52/62/57/707526257.db2.gz	ZXQGZNKWRGNRMK-UHFFFAOYSA-N	2	0	344.459	1.407	20	30		EDEDRP
C#CCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@](C)(c1ccccc1)[NH+](C)C	ZINC001032725739	707713019	/nfs/dbraw/zinc/71/30/19/707713019.db2.gz	SGBRGRCYPZENCB-CMKODMSKSA-N	2	0	325.456	1.772	20	30		EDEDRP
C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CN(C)CCO3)CC[C@@H]2C1	ZINC000946536648	707895071	/nfs/dbraw/zinc/89/50/71/707895071.db2.gz	SHNIRLDXYAONOI-XHSDSOJGSA-N	2	0	341.883	1.240	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)N(C)[C@H]2CC[N@H+](CC[C@@H]3CCOC3)C2)CC1	ZINC001033685478	708499242	/nfs/dbraw/zinc/49/92/42/708499242.db2.gz	UCVWOZFQHYYVBR-MJGOQNOKSA-N	2	0	347.503	1.291	20	30		EDEDRP
C#CC[NH+]1CCC(C(=O)NCC2CC[NH+](C[C@H]3CCOC3)CC2)CC1	ZINC001002145567	708659689	/nfs/dbraw/zinc/65/96/89/708659689.db2.gz	SEKZIKYQVJDTFP-GOSISDBHSA-N	2	0	347.503	1.196	20	30		EDEDRP
C=C(C)CC[N@H+]1CCCC[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1	ZINC001034208351	709556971	/nfs/dbraw/zinc/55/69/71/709556971.db2.gz	CCCJZFXHTYGFRX-QGZVFWFLSA-N	2	0	347.507	1.995	20	30		EDEDRP
C#CC[NH+]1CCC(NC(=O)NCC[N@@H+](CC)CCC(F)(F)F)CC1	ZINC000922187614	710374916	/nfs/dbraw/zinc/37/49/16/710374916.db2.gz	KPSSBVGJHKXHRK-UHFFFAOYSA-N	2	0	348.413	1.658	20	30		EDEDRP
C#CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CC[C@H]4CCCC[N@@H+]43)CC[C@@H]2C1	ZINC000946642720	712128738	/nfs/dbraw/zinc/12/87/38/712128738.db2.gz	QSHKAPNOCGKKCG-FCGDIQPGSA-N	2	0	329.488	1.807	20	30		EDEDRP
CC(C)OCCN1CCC([NH2+][C@H](C)C(=O)NC2(C#N)CCC2)CC1	ZINC000345107196	250026276	/nfs/dbraw/zinc/02/62/76/250026276.db2.gz	CBASAOYFUCAUIY-OAHLLOKOSA-N	2	0	336.480	1.416	20	30		EDEDRP
C=CC[NH+]1CCC(NC(=O)N(C)CCC[N@@H+](C)CCN(C)C)CC1	ZINC000358692270	250141286	/nfs/dbraw/zinc/14/12/86/250141286.db2.gz	ROXFVHIDPGIYHE-UHFFFAOYSA-N	2	0	339.528	1.162	20	30		EDEDRP
CCN(CCC#N)C(=O)C[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1	ZINC000376163784	250285049	/nfs/dbraw/zinc/28/50/49/250285049.db2.gz	CTKBEFQFOCBPHB-UHFFFAOYSA-N	2	0	343.475	1.992	20	30		EDEDRP
C#CCN1CCN(C(=O)C[NH+]2CCC(C[N@@H+](C)CCCC)CC2)CC1	ZINC000490778196	255106473	/nfs/dbraw/zinc/10/64/73/255106473.db2.gz	BNMYTINAOFJTDR-UHFFFAOYSA-N	2	0	348.535	1.208	20	30		EDEDRP
C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2CC(=O)Nc1ccc(C#N)cc1	ZINC000374429068	157288517	/nfs/dbraw/zinc/28/85/17/157288517.db2.gz	NXNGOINGTFHDAJ-KURKYZTESA-N	2	0	342.443	1.680	20	30		EDEDRP
C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2CC(=O)Nc1ccc(C#N)cc1	ZINC000374429072	157288625	/nfs/dbraw/zinc/28/86/25/157288625.db2.gz	NXNGOINGTFHDAJ-SQNIBIBYSA-N	2	0	342.443	1.680	20	30		EDEDRP
CC[NH+]1CCN(CCC[NH2+]Cc2cnc3ccc(C#N)cn23)CC1	ZINC000123285791	222248942	/nfs/dbraw/zinc/24/89/42/222248942.db2.gz	SLIGTSKVKAHHGX-UHFFFAOYSA-N	2	0	326.448	1.323	20	30		EDEDRP
COc1ccc(C[NH2+]C[C@@H](C(C)C)N2CC[NH+](C)CC2)cc1C#N	ZINC000124995601	222506416	/nfs/dbraw/zinc/50/64/16/222506416.db2.gz	XLUGQHSIPOTFQN-SFHVURJKSA-N	2	0	330.476	1.928	20	30		EDEDRP
CCOC(=O)C1([C@@H](C)[NH2+]Cc2ccc(C#N)c(OC)c2)CC[NH2+]CC1	ZINC000423128086	267114139	/nfs/dbraw/zinc/11/41/39/267114139.db2.gz	UYTVDGPUZZBJCY-CQSZACIVSA-N	2	0	345.443	1.978	20	30		EDEDRP
COc1cc(C[N@@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])ccc1C#N	ZINC000414769290	447326173	/nfs/dbraw/zinc/32/61/73/447326173.db2.gz	WGRSPXQCNCHOPT-INIZCTEOSA-N	2	0	330.432	1.386	20	30		EDEDRP
COc1cc(C[N@@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])ccc1C#N	ZINC000414769295	447326347	/nfs/dbraw/zinc/32/63/47/447326347.db2.gz	WGRSPXQCNCHOPT-MRXNPFEDSA-N	2	0	330.432	1.386	20	30		EDEDRP
C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CC[C@@H](N2CC[NH+](CC)CC2)C1	ZINC000107372200	441414154	/nfs/dbraw/zinc/41/41/54/441414154.db2.gz	TYKPVUQHZIBPPI-ZWKOTPCHSA-N	2	0	336.524	1.511	20	30		EDEDRP
C[NH+]1CCN(c2cc(CNC(=[NH2+])Nc3ccccn3)ccn2)CC1	ZINC000170911512	442287141	/nfs/dbraw/zinc/28/71/41/442287141.db2.gz	DJHFETGBWFIYLX-UHFFFAOYSA-N	2	0	325.420	1.155	20	30		EDEDRP
CC[NH+]=C(NC[C@@](C)(O)c1ccco1)N1CC[C@@H]([NH+]2CC=CC2)C1	ZINC000130726449	442354834	/nfs/dbraw/zinc/35/48/34/442354834.db2.gz	ICATVDPHXZTTGA-CRAIPNDOSA-N	2	0	332.448	1.399	20	30		EDEDRP
C#CC[NH+](CC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1)C1CCCC1	ZINC000155841166	442431650	/nfs/dbraw/zinc/43/16/50/442431650.db2.gz	STPTXZMHHTVDTM-GOSISDBHSA-N	2	0	335.492	1.337	20	30		EDEDRP
CC[NH+]=C(NCc1ccc2c(c1)OCO2)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C	ZINC000261953263	443175747	/nfs/dbraw/zinc/17/57/47/443175747.db2.gz	IANWEXROOCHJIU-XJKSGUPXSA-N	2	0	344.459	1.953	20	30		EDEDRP
C[NH+]=C(NCC(=O)Nc1ccccc1)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C	ZINC000262023083	443180505	/nfs/dbraw/zinc/18/05/05/443180505.db2.gz	ZEHTYPJOHBTOPP-GDBMZVCRSA-N	2	0	331.464	1.519	20	30		EDEDRP
C[NH+]=C(NC[C@H](O)c1cccc(F)c1)N1CC[C@@H]([NH+]2CC=CC2)C1	ZINC000262800334	443213044	/nfs/dbraw/zinc/21/30/44/443213044.db2.gz	QWPIKNMTHRESTM-SJORKVTESA-N	2	0	332.423	1.381	20	30		EDEDRP
C[NH+]=C(NC[C@@H](O)c1cccc(F)c1)N1CC[C@H](C[NH+]2CCCC2)C1	ZINC000262803206	443213232	/nfs/dbraw/zinc/21/32/32/443213232.db2.gz	RQLIVUXHZHOKIV-CRAIPNDOSA-N	2	0	348.466	1.852	20	30		EDEDRP
C[NH+]=C(NC[C@H](O)c1ccccc1OC)N1CC[C@@H]([NH+]2CC=CC2)C1	ZINC000262812492	443213456	/nfs/dbraw/zinc/21/34/56/443213456.db2.gz	VPIMWQORSOEYRA-WBVHZDCISA-N	2	0	344.459	1.250	20	30		EDEDRP
CC[NH+]1CCN(Cc2ccccc2CNC(=[NH2+])N[C@@H](C)COC)CC1	ZINC000264123819	443250882	/nfs/dbraw/zinc/25/08/82/443250882.db2.gz	VTLGAMZNFOXGET-INIZCTEOSA-N	2	0	347.507	1.263	20	30		EDEDRP
[NH2+]=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)NC1CCCCC1	ZINC000264122896	443250918	/nfs/dbraw/zinc/25/09/18/443250918.db2.gz	VNOQMDOZWWEULJ-UHFFFAOYSA-N	3	0	344.507	1.831	20	30		EDEDRP
C#CC[N@@H+](C)CCCNC(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C	ZINC000297589134	444304994	/nfs/dbraw/zinc/30/49/94/444304994.db2.gz	FCQUVOWOOLLRMO-QGZVFWFLSA-N	2	0	334.439	1.683	20	30		EDEDRP
CC(C)[NH+]1CCC(NC(=O)C[N@H+](C)CC2(O)CCOCC2)CC1	ZINC000328617519	444395947	/nfs/dbraw/zinc/39/59/47/444395947.db2.gz	UGMLPXUVNSDRBZ-UHFFFAOYSA-N	2	0	327.469	1.289	20	30		EDEDRP
C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12	ZINC000329986660	444799908	/nfs/dbraw/zinc/79/99/08/444799908.db2.gz	SADJNKSUYZLMRF-ZACQAIPSSA-N	2	0	337.512	1.143	20	30		EDEDRP
COCC[N@@H+]1CC[C@@H](NC(=O)c2c(C)nn(C)c2-n2ccnc2C)C1	ZINC000330023635	444813965	/nfs/dbraw/zinc/81/39/65/444813965.db2.gz	IZHPEVOTOBTNGW-CQSZACIVSA-N	2	0	346.435	1.248	20	30		EDEDRP
C[C@@H]1C[C@H](NC(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)CC[N@@H+]1C	ZINC000330125528	444853862	/nfs/dbraw/zinc/85/38/62/444853862.db2.gz	BPBFIJCTCPFJOC-MWQQHZPXSA-N	2	0	338.496	1.351	20	30		EDEDRP
C=CCOCC[NH+]1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1	ZINC000339003460	444981044	/nfs/dbraw/zinc/98/10/44/444981044.db2.gz	MOVALOXJFGARCT-UHFFFAOYSA-N	2	0	325.497	1.605	20	30		EDEDRP
C[NH+](C)[C@@H]1CC[C@@H](NC(=O)N2CCC([N@H+](C)CCCO)CC2)C1	ZINC000330600810	445055265	/nfs/dbraw/zinc/05/52/65/445055265.db2.gz	FZHUQMVHTNIKOX-GDBMZVCRSA-N	2	0	326.485	1.162	20	30		EDEDRP
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NC[C@H]1CCC[NH2+]C1	ZINC000418315837	446495925	/nfs/dbraw/zinc/49/59/25/446495925.db2.gz	KYCSQRYHYFWAST-SFHVURJKSA-N	2	0	343.475	1.631	20	30		EDEDRP
N#CCCC[C@H]([NH3+])C(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1	ZINC000424187786	446861118	/nfs/dbraw/zinc/86/11/18/446861118.db2.gz	BJASWSIRWDQLCI-KRWDZBQOSA-N	3	0	343.475	1.117	20	30		EDEDRP
CC[NH+]1CCN(CC(C)(C)[NH2+]CC(=O)NC2(C#N)CCCCC2)CC1	ZINC000451983494	447797050	/nfs/dbraw/zinc/79/70/50/447797050.db2.gz	KWBOOFRYOMBLNI-UHFFFAOYSA-N	2	0	349.523	1.335	20	30		EDEDRP
CN(CCC#N)C[C@@H](O)C[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000579228308	448745578	/nfs/dbraw/zinc/74/55/78/448745578.db2.gz	HZQPILKNWNFKQH-OALUTQOASA-N	2	0	330.476	1.304	20	30		EDEDRP
CN(CCC#N)C[C@H](O)CNc1ccc(CC[NH+]2CCOCC2)cc1	ZINC000574312266	448842282	/nfs/dbraw/zinc/84/22/82/448842282.db2.gz	MDJUWGKUDVAMCK-LJQANCHMSA-N	2	0	346.475	1.180	20	30		EDEDRP
CN(C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1)C1CC([NH3+])C1	ZINC000593719397	449159782	/nfs/dbraw/zinc/15/97/82/449159782.db2.gz	CTASUXAXAMGVMT-UHFFFAOYSA-N	2	0	341.459	1.654	20	30		EDEDRP
N#CC1(C[C@@H](O)C[NH2+]CCCN2CCN(c3cc[nH+]cc3)CC2)CC1	ZINC000600724965	449519100	/nfs/dbraw/zinc/51/91/00/449519100.db2.gz	VIPIJNUYDGUTOP-GOSISDBHSA-N	2	0	343.475	1.238	20	30		EDEDRP
CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@H](C)CC2(C#N)CCOCC2)CC1	ZINC000602542377	449663245	/nfs/dbraw/zinc/66/32/45/449663245.db2.gz	WGJMIKSKOLDWPO-ZWKOTPCHSA-N	2	0	336.524	1.949	20	30		EDEDRP
C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)[C@H]([NH3+])CCCC#N	ZINC000602579736	449684672	/nfs/dbraw/zinc/68/46/72/449684672.db2.gz	BJUQIQFPVGSHJC-BPQIPLTHSA-N	2	0	328.460	1.892	20	30		EDEDRP
N#CC1CCC(C[N@H+]2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)CC1	ZINC000903445628	592172824	/nfs/dbraw/zinc/17/28/24/592172824.db2.gz	MMCWYFLPCBRKBI-HIEASXQVSA-N	2	0	332.492	1.897	20	30		EDEDRP
N#C[C@@H]1C[NH2+]CC12CC(c1nc([C@@H]3CN4CCCC[C@H]4CO3)no1)C2	ZINC000904099157	592424994	/nfs/dbraw/zinc/42/49/94/592424994.db2.gz	LHNNJVRAYZWMAO-CBMUFDATSA-N	2	0	343.431	1.602	20	30		EDEDRP