smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)[C@H]([NH3+])C(=O)N[C@H]1CC[C@H]([N@H+](Cc2ccccc2)C2CC2)CC1	ZINC000100177571	219093740	/nfs/dbraw/zinc/09/37/40/219093740.db2.gz	JGEKEQILVNKWPR-NSHGMRRFSA-N	2	0	343.515	3.062	40	0		EGABRP
C[NH2+]C1CCC2(CC1)C[N@H+](Cc1ccncc1)Cc1ccccc1O2	ZINC000019591994	202014759	/nfs/dbraw/zinc/01/47/59/202014759.db2.gz	FDPHQFSHVSBTAN-UHFFFAOYSA-N	2	0	337.467	3.377	40	0		EGABRP
CC[NH+]1CCC(N(C)Cc2c(C)nn(-c3ccccc3)c2C)CC1	ZINC000125225382	162267827	/nfs/dbraw/zinc/26/78/27/162267827.db2.gz	KCPXBZFKGLYEIE-UHFFFAOYSA-N	2	0	326.488	3.405	40	0		EGABRP
C[NH2+]CCC[NH2+]Cc1ccc(OCCc2ccccc2)c(OC)c1	ZINC000007540220	453085227	/nfs/dbraw/zinc/08/52/27/453085227.db2.gz	GKNVFIHKEIPQFX-UHFFFAOYSA-N	2	0	328.456	3.016	40	0		EGABRP
CC(C)[NH+]1CCC2(CC1)C[C@@H]([NH2+][C@@H]1CCOC1)c1ccccc1O2	ZINC000096242714	454312115	/nfs/dbraw/zinc/31/21/15/454312115.db2.gz	WASXFJZLBZSEFX-SJLPKXTDSA-N	2	0	330.472	3.132	40	0		EGABRP
CC(C)[C@H]([NH3+])C(=O)N(CC1CC[NH+](Cc2ccccc2)CC1)C(C)C	ZINC000079404743	454410971	/nfs/dbraw/zinc/41/09/71/454410971.db2.gz	BSZDKXLRQPDDIB-FQEVSTJZSA-N	2	0	345.531	3.119	40	0		EGABRP
CC(C)[C@H]([NH3+])C(=O)N1CCCC[C@@H]1C[N@H+](Cc1ccccc1)C1CC1	ZINC000079415920	454412136	/nfs/dbraw/zinc/41/21/36/454412136.db2.gz	NNFKSZFXRBHDER-UXHICEINSA-N	2	0	343.515	3.015	40	0		EGABRP
C[C@H](CC(=O)N1CCCCCC1)[NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1	ZINC000253370822	455836334	/nfs/dbraw/zinc/83/63/34/455836334.db2.gz	WSVZFJVBUTWITC-QRVBRYPASA-N	2	0	349.563	3.410	40	0		EGABRP
CCc1nnc(CNC2[C@H](C)C[NH+](Cc3ccccc3)C[C@H]2C)s1	ZINC000195577387	455987771	/nfs/dbraw/zinc/98/77/71/455987771.db2.gz	DSVBGXQXCLBIEQ-HUUCEWRRSA-N	2	0	344.528	3.347	40	0		EGABRP
COC[C@@H]1C[N@H+](Cc2csc(C)n2)CC12CC[NH+](C1CCC1)CC2	ZINC000585102738	459824375	/nfs/dbraw/zinc/82/43/75/459824375.db2.gz	CPAUKTVCCDWDCL-INIZCTEOSA-N	2	0	349.544	3.164	40	0		EGABRP
Cc1ccc(C[NH+]2CCC3(CC2)C[N@H+](Cc2ccccc2)CCO3)o1	ZINC000096048951	454271357	/nfs/dbraw/zinc/27/13/57/454271357.db2.gz	PPLOTFIRAADNNL-UHFFFAOYSA-N	2	0	340.467	3.455	40	0		EGABRP
CC[NH+](CC)CC[C@H](CNC(N)=[NH2+])c1ccc(Cl)c(Cl)c1	ZINC000006382375	452938380	/nfs/dbraw/zinc/93/83/80/452938380.db2.gz	IRGHUHWCZDOKRL-GFCCVEGCSA-N	2	0	331.291	3.292	40	0		EGABRP
FC(F)(F)CO[C@@H]1CCCC[C@@H]1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1	ZINC000096484344	454366090	/nfs/dbraw/zinc/36/60/90/454366090.db2.gz	CRVXSOWJFNCXPI-KLHDSHLOSA-N	2	0	334.426	3.341	40	0		EGABRP
Cc1cc(CC[NH2+][C@@H]2CC[N@@H+](C[C@H]3CCCO3)C[C@@H]2C)cc(C)c1O	ZINC000252536800	455820801	/nfs/dbraw/zinc/82/08/01/455820801.db2.gz	JPDFASFMXVBQCQ-DFQSSKMNSA-N	2	0	346.515	3.031	40	0		EGABRP
Cc1cccc(O[C@@H]2CCC[C@H]([NH2+]CCC[NH+]3CCCCC3)[C@H]2O)c1	ZINC000585289988	459833828	/nfs/dbraw/zinc/83/38/28/459833828.db2.gz	YOQYYALNRAZMTR-PWRODBHTSA-N	2	0	346.515	3.121	40	0		EGABRP
CC(C)[C@H]([NH3+])C(=O)N[C@H]1CC[C@H]([N@H+](Cc2ccccc2)C(C)C)CC1	ZINC000100177588	219092959	/nfs/dbraw/zinc/09/29/59/219092959.db2.gz	KDBUBLSKJNCTJU-ZCNNSNEGSA-N	2	0	345.531	3.308	40	0		EGABRP
C[N@@H+]1CCC[C@@H](c2ncc3c(n2)CC[NH+](CC2CCCCC2)C3)C1	ZINC000019588662	202012377	/nfs/dbraw/zinc/01/23/77/202012377.db2.gz	ZSHSPVLIZXLEBA-QGZVFWFLSA-N	2	0	328.504	3.224	40	0		EGABRP
C[N@@H+]1CCC[C@H](c2ncc3c(n2)CC[NH+](CC2CCCCC2)C3)C1	ZINC000019588664	202013842	/nfs/dbraw/zinc/01/38/42/202013842.db2.gz	ZSHSPVLIZXLEBA-KRWDZBQOSA-N	2	0	328.504	3.224	40	0		EGABRP
Cc1cc(F)ccc1C[NH2+][C@@H](CN1CC[NH+](C)CC1)c1ccccc1	ZINC000069170955	202271219	/nfs/dbraw/zinc/27/12/19/202271219.db2.gz	NZKIQBMPGIYSSE-NRFANRHFSA-N	2	0	341.474	3.212	40	0		EGABRP
CC(C)[NH+]1CCC2(CC1)C[C@H]([NH2+][C@@H]1CCOC1)c1ccccc1O2	ZINC000096242713	454311762	/nfs/dbraw/zinc/31/17/62/454311762.db2.gz	WASXFJZLBZSEFX-AEFFLSMTSA-N	2	0	330.472	3.132	40	0		EGABRP
COC[C@@H]1C[N@H+](Cc2ccco2)CC12CC[NH+](Cc1ccoc1)CC2	ZINC000247849487	455650249	/nfs/dbraw/zinc/65/02/49/455650249.db2.gz	OBDSXHLQKCXSKS-SFHVURJKSA-N	2	0	344.455	3.233	40	0		EGABRP
COc1cccc(C[N@@H+]2CCOC[C@@H](CC[NH+]3CCCC3)[C@@H]2C)c1	ZINC000306141869	456566944	/nfs/dbraw/zinc/56/69/44/456566944.db2.gz	WITQKHKUTMBDLH-PKOBYXMFSA-N	2	0	332.488	3.018	40	0		EGABRP
C[N@H+](Cc1ccncc1)C1CCC2(CC1)C[NH2+]Cc1ccccc1O2	ZINC000019586603	202012404	/nfs/dbraw/zinc/01/24/04/202012404.db2.gz	DAGQBZNAPKMQKY-UHFFFAOYSA-N	2	0	337.467	3.377	40	0		EGABRP
CC(C)[C@H]([NH3+])C(=O)N(C[C@H]1CCCC[N@@H+]1Cc1ccccc1)C1CC1	ZINC000079404788	202434081	/nfs/dbraw/zinc/43/40/81/202434081.db2.gz	OMSGEDAVEHNOTB-UXHICEINSA-N	2	0	343.515	3.015	40	0		EGABRP
C[N@H+](Cc1cccnc1)C1CC2(C1)CC[NH+](Cc1ccccn1)CC2	ZINC000096063161	454278886	/nfs/dbraw/zinc/27/88/86/454278886.db2.gz	KFLILNQANSUORW-UHFFFAOYSA-N	2	0	336.483	3.353	40	0		EGABRP
FC(F)(F)CO[C@@H]1CCCC[C@@H]1C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1	ZINC000245289562	455281589	/nfs/dbraw/zinc/28/15/89/455281589.db2.gz	CRVXSOWJFNCXPI-FXUDXRNXSA-N	2	0	334.426	3.341	40	0		EGABRP
COC[C@@H]1C[N@H+](Cc2ccco2)CC12CC[NH+](Cc1ccco1)CC2	ZINC000585102786	459824281	/nfs/dbraw/zinc/82/42/81/459824281.db2.gz	FSBDZKLKNYHDMM-KRWDZBQOSA-N	2	0	344.455	3.233	40	0		EGABRP
C[N@H+](Cc1c2cccnc2[nH]c1C1CC[NH2+]CC1)Cc1ccncc1	ZINC000072394696	454293843	/nfs/dbraw/zinc/29/38/43/454293843.db2.gz	FRZRYAYPHXTSRJ-UHFFFAOYSA-N	2	0	335.455	3.057	40	0		EGABRP
C[C@@H]([NH2+]Cc1cccc(C(=O)N(C)C)c1)c1cccc(-n2ccnc2)c1	ZINC000195577356	455986973	/nfs/dbraw/zinc/98/69/73/455986973.db2.gz	HHTDHWTZUNZHLM-MRXNPFEDSA-N	2	0	348.450	3.425	40	0		EGABRP
Cc1cc(N2CCC[C@@H]([NH+]3CCOCC3)CC2)c2ccccc2[nH+]1	ZINC000518796198	458894020	/nfs/dbraw/zinc/89/40/20/458894020.db2.gz	WFDDEWIPOXWGRY-QGZVFWFLSA-N	2	0	325.456	3.234	40	0		EGABRP
CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]Cc2ccncc2)CC1	ZINC000078553375	202395940	/nfs/dbraw/zinc/39/59/40/202395940.db2.gz	NXVGVTODMVUNBE-MRXNPFEDSA-N	2	0	342.462	3.213	40	0		EGABRP
c1csc([C@H](CNC2CC[NH+](CC3CC3)CC2)[NH+]2CCCC2)c1	ZINC000095419058	218358182	/nfs/dbraw/zinc/35/81/82/218358182.db2.gz	BJHNDJNCQYNYED-SFHVURJKSA-N	2	0	333.545	3.349	40	0		EGABRP
O[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@H]2CCC[C@@H](C(F)(F)F)C2)CC1	ZINC000249417406	285311055	/nfs/dbraw/zinc/31/10/55/285311055.db2.gz	ZTAFZZONAOHQQS-BSWAZPDLSA-N	2	0	348.453	3.465	40	0		EGABRP
C[C@H](NC1CC[NH+](Cc2ccccc2)CC1)C(=O)Nc1ccccc1	ZINC000035312105	453923582	/nfs/dbraw/zinc/92/35/82/453923582.db2.gz	MQMAYLYRJOUAKP-KRWDZBQOSA-N	2	0	337.467	3.268	40	0		EGABRP
Cc1ccc(CN(CCC[NH+](C)C)Cc2[nH+]c(C)n3ccccc23)o1	ZINC000057810853	454147715	/nfs/dbraw/zinc/14/77/15/454147715.db2.gz	YXMYILBVFVDTPU-UHFFFAOYSA-N	2	0	340.471	3.498	40	0		EGABRP
c1cc(C[NH+]2CCC3(CC2)C[N@H+](Cc2ccccc2)CCO3)co1	ZINC000096048948	454271889	/nfs/dbraw/zinc/27/18/89/454271889.db2.gz	XJHCBZDIYUSRMH-UHFFFAOYSA-N	2	0	326.440	3.147	40	0		EGABRP
Cc1noc(C)c1C[NH+]1CCC2(C[C@H](COCC3CC3)[N@H+](C)C2)CC1	ZINC000096215279	454305977	/nfs/dbraw/zinc/30/59/77/454305977.db2.gz	JAVWBJCJEBBLSH-GOSISDBHSA-N	2	0	347.503	3.004	40	0		EGABRP
CC(C)[N@H+](C)C[C@@H]1CCC2(CC[NH+](Cc3cccnc3)CC2)CO1	ZINC000096224942	454308469	/nfs/dbraw/zinc/30/84/69/454308469.db2.gz	VVFUYQOBPSHTAB-IBGZPJMESA-N	2	0	331.504	3.183	40	0		EGABRP
CC(C)[NH+]1CCC2(CC1)C[C@H]([NH2+][C@H]1CCOC1)c1ccccc1O2	ZINC000096242715	454311039	/nfs/dbraw/zinc/31/10/39/454311039.db2.gz	WASXFJZLBZSEFX-WMZOPIPTSA-N	2	0	330.472	3.132	40	0		EGABRP
C[C@H](CCc1ccc(O)cc1)[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1	ZINC000136495919	454744889	/nfs/dbraw/zinc/74/48/89/454744889.db2.gz	OFPGUFMZCDPUAK-HBGVWJBISA-N	2	0	346.515	3.071	40	0		EGABRP
Cn1cc(C[N@@H+]2CCC3(C2)CC[NH+](Cc2cccc(F)c2)CC3)cn1	ZINC000096062885	454277812	/nfs/dbraw/zinc/27/78/12/454277812.db2.gz	ZEYKESJYUFJPPS-UHFFFAOYSA-N	2	0	342.462	3.047	40	0		EGABRP
COc1ccc(C[N@@H+]2C[C@H]3CCC[C@@H](C[NH+](C)C4CC4)[C@H]3C2)cn1	ZINC000096249010	454311954	/nfs/dbraw/zinc/31/19/54/454311954.db2.gz	MFPXOTJYTBFOTN-YQVWRLOYSA-N	2	0	329.488	3.033	40	0		EGABRP
C[C@@H](Cc1ccsc1)[NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1	ZINC000096479062	454364204	/nfs/dbraw/zinc/36/42/04/454364204.db2.gz	LDHAHNZXBFJJAJ-INIZCTEOSA-N	2	0	344.524	3.426	40	0		EGABRP
C[C@@H](O)[C@]12C[NH2+][C@H](c3ccccc3)[C@H]1C[N@H+](Cc1ccccc1)CC2	ZINC000219773655	456036701	/nfs/dbraw/zinc/03/67/01/456036701.db2.gz	VYLVOHNDVSEGOP-CIQXWFTPSA-N	2	0	336.479	3.220	40	0		EGABRP
Cc1nc2c(n1C(C)C)C[NH2+]CC21CC[NH+](Cc2ccccc2)CC1	ZINC000306138212	456567526	/nfs/dbraw/zinc/56/75/26/456567526.db2.gz	RSJVTMKXGRBPDN-UHFFFAOYSA-N	2	0	338.499	3.409	40	0		EGABRP
Cc1cccc(O[C@@H]2CCC[C@H]([NH2+]CCCC[NH+]3CCCC3)[C@H]2O)c1	ZINC000585288856	459833750	/nfs/dbraw/zinc/83/37/50/459833750.db2.gz	KGZQAEZHHMLDLN-PWRODBHTSA-N	2	0	346.515	3.121	40	0		EGABRP
CCCc1cccc(C[NH2+]C2CCN(C3CC[NH+](C)CC3)CC2)c1	ZINC000187175052	528634101	/nfs/dbraw/zinc/63/41/01/528634101.db2.gz	RWJSHMKCENEDFI-UHFFFAOYSA-N	2	0	329.532	3.287	40	0		EGABRP
C[C@H](C[N@@H+]1CCc2nc([C@@H]3CCCC[NH2+]3)ncc2C1)c1ccccc1	ZINC000019456387	212029750	/nfs/dbraw/zinc/02/97/50/212029750.db2.gz	QFPMVKDOFNKWCF-UZLBHIALSA-N	2	0	336.483	3.453	40	0		EGABRP
CC[NH+]1CCC2(CC1)C[N@H+](C[C@@H]1CCOC1)Cc1cc(C)ccc1O2	ZINC000072394197	279263099	/nfs/dbraw/zinc/26/30/99/279263099.db2.gz	NGUDKTYCSQSNLN-SFHVURJKSA-N	2	0	344.499	3.080	40	0		EGABRP
CC(=O)c1ccc[n+]([C@H](C)CC[C@H](C)[n+]2cccc(C(C)=O)c2)c1	ZINC000017290143	453632555	/nfs/dbraw/zinc/63/25/55/453632555.db2.gz	BKWYHTQQDXKLJA-IYBDPMFKSA-N	2	0	326.440	3.269	40	0		EGABRP
Fc1ccccc1C[NH+]1CCC(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1	ZINC000096484338	454366663	/nfs/dbraw/zinc/36/66/63/454366663.db2.gz	AZVIYRVPZGGFPZ-VQTJNVASSA-N	3	0	345.506	3.254	40	0		EGABRP
Cc1ncsc1C[N@@H+]1CC[C@@]2(C1)CCC[C@@H](C[NH+]1CCCC1)O2	ZINC000096209528	454305710	/nfs/dbraw/zinc/30/57/10/454305710.db2.gz	GGMSCOSQFXAOGL-FUHWJXTLSA-N	2	0	335.517	3.061	40	0		EGABRP
CCc1nc(C)cc(N2CCC[C@@H]([N@H+](C)Cc3ccccn3)CC2)n1	ZINC000252495010	455813592	/nfs/dbraw/zinc/81/35/92/455813592.db2.gz	OKPDHPODWOFFTD-GOSISDBHSA-N	2	0	339.487	3.233	40	0		EGABRP
C[C@@H]([NH2+]Cc1ccsc1)c1cc(F)ccc1N1CC[NH+](C)CC1	ZINC000078553329	217074718	/nfs/dbraw/zinc/07/47/18/217074718.db2.gz	CENACLUGCMNJGZ-CQSZACIVSA-N	2	0	333.476	3.490	40	0		EGABRP
OC1CC[NH+](Cc2ccc(C[NH2+]Cc3cc(F)ccc3F)cc2)CC1	ZINC000078553927	217075656	/nfs/dbraw/zinc/07/56/56/217075656.db2.gz	QAWFFGMSLLKKRU-UHFFFAOYSA-N	2	0	346.421	3.211	40	0		EGABRP
CC(C)[C@H]([NH3+])C(=O)N(C[C@H]1CCCC[N@@H+]1Cc1ccccc1)C(C)C	ZINC000079404729	276019488	/nfs/dbraw/zinc/01/94/88/276019488.db2.gz	CTWWLNINKDQWDL-UXHICEINSA-N	2	0	345.531	3.261	40	0		EGABRP
c1ccc(C[N@@H+]2CCCC[C@@H]2c2cccnc2N2CC[NH2+]CC2)cc1	ZINC000072216368	454273635	/nfs/dbraw/zinc/27/36/35/454273635.db2.gz	QZLMWDVOBILXFU-HXUWFJFHSA-N	2	0	336.483	3.218	40	0		EGABRP
Cc1cc2ccccc2c[n+]1CC(O)C[n+]1cc2ccccc2cc1C	ZINC000001666348	209776707	/nfs/dbraw/zinc/77/67/07/209776707.db2.gz	WOCGEKYQUQKHBC-UHFFFAOYSA-N	2	0	344.458	3.246	40	0	in-vitro	EGABRP
C[N@H+](Cc1cccnc1)C1CCC2(CC1)C[NH2+]Cc1ccccc1O2	ZINC000019586581	212048530	/nfs/dbraw/zinc/04/85/30/212048530.db2.gz	XGRFHYUDKGZBER-UHFFFAOYSA-N	2	0	337.467	3.377	40	0		EGABRP
C[C@H]([NH2+]Cc1cccs1)c1cc(F)ccc1N1CC[NH+](C)CC1	ZINC000078553303	217075623	/nfs/dbraw/zinc/07/56/23/217075623.db2.gz	PWUUBTKCOXEFGD-AWEZNQCLSA-N	2	0	333.476	3.490	40	0		EGABRP
CCC(=O)OC1(c2ccccc2)[C@@H](C[NH+](C)C)CCC[C@@H]1C[NH+](C)C	ZINC000001593611	452670252	/nfs/dbraw/zinc/67/02/52/452670252.db2.gz	AASZLMNELMGABE-RTBURBONSA-N	2	0	346.515	3.375	40	0		EGABRP
c1csc(C[NH+]2CCC3(CC2)CC[NH+](Cc2cccnc2)CC3)n1	ZINC000096047219	454269827	/nfs/dbraw/zinc/26/98/27/454269827.db2.gz	HPRXDHLLZGTUKK-UHFFFAOYSA-N	2	0	342.512	3.416	40	0		EGABRP
C[C@@H](CC[N@@H+]1CCc2nc([C@H]3CCC[NH2+]3)ncc2C1)c1ccccc1	ZINC000248235430	455700313	/nfs/dbraw/zinc/70/03/13/455700313.db2.gz	MHPFOXIEDHMHNR-OXJNMPFZSA-N	2	0	336.483	3.453	40	0		EGABRP
Fc1ccccc1C[NH+]1CCC(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1	ZINC000252485839	455810043	/nfs/dbraw/zinc/81/00/43/455810043.db2.gz	AZVIYRVPZGGFPZ-UXHICEINSA-N	3	0	345.506	3.254	40	0		EGABRP
COc1ccc([C@H](C)[NH2+]C2CCN(C)CC2)cc1C[NH+]1CCCC1	ZINC000096491549	277931175	/nfs/dbraw/zinc/93/11/75/277931175.db2.gz	IACTURIARCDKFI-INIZCTEOSA-N	2	0	331.504	3.036	40	0		EGABRP
Cc1ncsc1C[NH+]1CCC2(C[C@H](COCC3CC3)[N@H+](C)C2)CC1	ZINC000096208938	454304859	/nfs/dbraw/zinc/30/48/59/454304859.db2.gz	WFRCSQMGZUGUSP-QGZVFWFLSA-N	2	0	349.544	3.164	40	0		EGABRP
C[C@@H](CC[N@@H+]1CCc2nc([C@H]3CC[NH2+]C3)ncc2C1)c1ccccc1	ZINC000248241378	455700515	/nfs/dbraw/zinc/70/05/15/455700515.db2.gz	OOFAILVYZMZMAE-WMZOPIPTSA-N	2	0	336.483	3.105	40	0		EGABRP
C[NH2+]CCC[NH2+]Cc1ccc(OCc2cccc(C)c2)c(OC)c1	ZINC000016349310	453602122	/nfs/dbraw/zinc/60/21/22/453602122.db2.gz	LEZNFJKEGLFLSL-UHFFFAOYSA-N	2	0	328.456	3.282	40	0		EGABRP
C[N@H+](C[C@@H]1CO[C@@]2(C1)CCC[NH+](CCc1ccccc1)C2)C1CC1	ZINC000096075656	454280167	/nfs/dbraw/zinc/28/01/67/454280167.db2.gz	XQAZPTWCEAUBDZ-TZIWHRDSSA-N	2	0	328.500	3.194	40	0		EGABRP
c1cc2n(n1)C[C@@H](CNc1ccccn1)CN(Cc1ccccc1)C2	ZINC000248133476	455686045	/nfs/dbraw/zinc/68/60/45/455686045.db2.gz	YGJIZHVVHQRZGF-SFHVURJKSA-N	2	0	333.439	3.022	40	0		EGABRP
COC[C@H]1C[N@H+](Cc2ccco2)CC12CC[NH+](CC1CCC1)CC2	ZINC000585104270	459824175	/nfs/dbraw/zinc/82/41/75/459824175.db2.gz	XMOSREMKVUGHPK-GOSISDBHSA-N	2	0	332.488	3.240	40	0		EGABRP
COC[C@H]1C[N@H+](Cc2cccnc2)CC12CC[NH+](CC1CCC1)CC2	ZINC000585103845	459824369	/nfs/dbraw/zinc/82/43/69/459824369.db2.gz	SBQAAWYQNFDEBK-HXUWFJFHSA-N	2	0	343.515	3.042	40	0		EGABRP
CC1CC[NH+](Cc2ccc(C(=O)NCCC[NH+]3CCCC3)cc2)CC1	ZINC000022529045	212306050	/nfs/dbraw/zinc/30/60/50/212306050.db2.gz	YFPFQCBCKKOSMT-UHFFFAOYSA-N	2	0	343.515	3.134	40	0		EGABRP
Cc1cc[n+](CC(O)C[n+]2ccc(C)c3ccccc32)c2ccccc12	ZINC000027987918	453821708	/nfs/dbraw/zinc/82/17/08/453821708.db2.gz	MGCMBPUYLUXGQQ-UHFFFAOYSA-N	2	0	344.458	3.246	40	0		EGABRP
C[N@H+](Cc1ccco1)[C@H]1COC2(C1)CC[NH+](Cc1ccoc1)CC2	ZINC000096048000	454271785	/nfs/dbraw/zinc/27/17/85/454271785.db2.gz	RHNJGEROFFUWCM-QGZVFWFLSA-N	2	0	330.428	3.128	40	0		EGABRP
C[N@H+](Cc1cccnc1)[C@H]1COC2(C1)CC[NH+](CC1CCCC1)CC2	ZINC000096220899	454309233	/nfs/dbraw/zinc/30/92/33/454309233.db2.gz	KJSFYPNDNXZLHY-HXUWFJFHSA-N	2	0	343.515	3.327	40	0		EGABRP
Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)[NH2+][C@H]1C[C@@H](C)N(C2CC2)C1	ZINC000195553916	455983654	/nfs/dbraw/zinc/98/36/54/455983654.db2.gz	PAXSWWDWSTWKIY-SUNKGSAMSA-N	2	0	344.425	3.338	40	0		EGABRP
C[C@H]([NH2+]Cc1cccc(C(=O)N(C)C)c1)c1cccc(-n2ccnc2)c1	ZINC000195577358	455987503	/nfs/dbraw/zinc/98/75/03/455987503.db2.gz	HHTDHWTZUNZHLM-INIZCTEOSA-N	2	0	348.450	3.425	40	0		EGABRP
CC[NH+](CC)C[C@H]1CC2(CC[NH+](Cc3ccccc3N(C)C)CC2)O1	ZINC000306142763	456567950	/nfs/dbraw/zinc/56/79/50/456567950.db2.gz	XIWMIKKYXFIIKN-LJQANCHMSA-N	2	0	345.531	3.218	40	0		EGABRP
COC[C@@H]1C[N@H+](Cc2ccco2)CC12CC[NH+](CC1CCC1)CC2	ZINC000585104271	459824207	/nfs/dbraw/zinc/82/42/07/459824207.db2.gz	XMOSREMKVUGHPK-SFHVURJKSA-N	2	0	332.488	3.240	40	0		EGABRP
Cc1ncsc1C[NH+]1CCC2(C[N@H+](C)C[C@@H]2COCC2CC2)CC1	ZINC000585102656	459824337	/nfs/dbraw/zinc/82/43/37/459824337.db2.gz	ABSUOFCCRYORMA-QGZVFWFLSA-N	2	0	349.544	3.022	40	0		EGABRP
C[NH2+]C1CCC2(CC1)C[N@H+](Cc1cccnc1)Cc1ccccc1O2	ZINC000019591993	212048681	/nfs/dbraw/zinc/04/86/81/212048681.db2.gz	RYBQTQLKSATEFE-UHFFFAOYSA-N	2	0	337.467	3.377	40	0		EGABRP
CCn1c[n+](CCC[n+]2cn(CC)c3ccccc32)c2ccccc21	ZINC000000827772	452637773	/nfs/dbraw/zinc/63/77/73/452637773.db2.gz	LGUDDOMLDGRAKZ-UHFFFAOYSA-N	2	0	334.467	3.301	40	0		EGABRP
Cc1nc(C[N@H+]2CCC3(C2)CC[NH+](Cc2cccn2C)CC3)cs1	ZINC000096062853	454277918	/nfs/dbraw/zinc/27/79/18/454277918.db2.gz	YBGDBEINNGSSSP-UHFFFAOYSA-N	2	0	344.528	3.278	40	0		EGABRP
Cc1cc(CC[NH2+][C@@H]2CC[N@@H+](C[C@H]3CCCO3)C[C@H]2C)cc(C)c1O	ZINC000252536801	455820980	/nfs/dbraw/zinc/82/09/80/455820980.db2.gz	JPDFASFMXVBQCQ-MISYRCLQSA-N	2	0	346.515	3.031	40	0		EGABRP
C[C@H]([NH2+]Cc1ccsc1)c1cc(F)ccc1N1CC[NH+](C)CC1	ZINC000078553322	217075443	/nfs/dbraw/zinc/07/54/43/217075443.db2.gz	CENACLUGCMNJGZ-AWEZNQCLSA-N	2	0	333.476	3.490	40	0		EGABRP
CCc1nc(C)cc(N2CCC[C@H]([N@H+](C)Cc3ccccn3)CC2)n1	ZINC000252495011	455813079	/nfs/dbraw/zinc/81/30/79/455813079.db2.gz	OKPDHPODWOFFTD-SFHVURJKSA-N	2	0	339.487	3.233	40	0		EGABRP
CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]Cc2cccnc2)CC1	ZINC000078553367	217075552	/nfs/dbraw/zinc/07/55/52/217075552.db2.gz	YEOKPVFJLSAFMU-MRXNPFEDSA-N	2	0	342.462	3.213	40	0		EGABRP
CC(C)[C@H]([NH3+])C(=O)N[C@H]1CC[C@H]([N@H+](Cc2ccccc2)C(C)C)CC1	ZINC000242543515	455271656	/nfs/dbraw/zinc/27/16/56/455271656.db2.gz	KDBUBLSKJNCTJU-UFYCRDLUSA-N	2	0	345.531	3.308	40	0		EGABRP
c1ccc(C[NH+]2CCC3(CC[NH+](Cc4ccncc4)CC3)CC2)nc1	ZINC000096047204	454269716	/nfs/dbraw/zinc/26/97/16/454269716.db2.gz	CWFSUDOCDRWHCG-UHFFFAOYSA-N	2	0	336.483	3.355	40	0		EGABRP
CC(C)COC(=O)N1CCC([NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)CC1	ZINC000097231776	454427197	/nfs/dbraw/zinc/42/71/97/454427197.db2.gz	UDTVYULHHMSEAC-UHFFFAOYSA-N	2	0	339.524	3.142	40	0		EGABRP
C[C@H](CC[N@@H+]1CCc2nc([C@@H]3CC[NH2+]C3)ncc2C1)c1ccccc1	ZINC000019455733	212029829	/nfs/dbraw/zinc/02/98/29/212029829.db2.gz	OOFAILVYZMZMAE-SJLPKXTDSA-N	2	0	336.483	3.105	40	0		EGABRP
C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)C[NH+]2CCC(C)CC2)CC1	ZINC000012113264	211292456	/nfs/dbraw/zinc/29/24/56/211292456.db2.gz	SBPHWEOJGVEEMD-GOSISDBHSA-N	2	0	343.515	3.060	40	0		EGABRP
C[C@H](O)[C@]12C[NH2+][C@H](c3ccccc3)[C@H]1C[N@H+](Cc1ccccc1)CC2	ZINC000219773584	278301144	/nfs/dbraw/zinc/30/11/44/278301144.db2.gz	VYLVOHNDVSEGOP-UPZYVNNASA-N	2	0	336.479	3.220	40	0		EGABRP
COc1cccc([C@@H](O)C(C[NH+]2CCCCC2)C[NH+]2CCCCC2)c1	ZINC000001689366	295315080	/nfs/dbraw/zinc/31/50/80/295315080.db2.gz	SPYJJRZJIRIEIX-OAQYLSRUSA-N	2	0	346.515	3.317	40	0		EGABRP
CC(=O)c1ccc[n+]([C@H](C)CC[C@@H](C)[n+]2cccc(C(C)=O)c2)c1	ZINC000001666329	452672335	/nfs/dbraw/zinc/67/23/35/452672335.db2.gz	BKWYHTQQDXKLJA-HZPDHXFCSA-N	2	0	326.440	3.269	40	0		EGABRP
O=C(NCCC[NH+]1CCCCC1)c1ccc(C[NH+]2CCCCC2)cc1	ZINC000013669016	453478143	/nfs/dbraw/zinc/47/81/43/453478143.db2.gz	VRQOPTDJANKWQM-UHFFFAOYSA-N	2	0	343.515	3.278	40	0		EGABRP
Fc1ccccc1C[NH+]1CCC(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1	ZINC000252485838	455809349	/nfs/dbraw/zinc/80/93/49/455809349.db2.gz	AZVIYRVPZGGFPZ-PMACEKPBSA-N	3	0	345.506	3.254	40	0		EGABRP
C[N@@H+]1CCCN(Cc2ccc(C[NH2+]Cc3cccs3)cc2)CC1	ZINC000078553016	217073104	/nfs/dbraw/zinc/07/31/04/217073104.db2.gz	FPBHOBMNXUMYMG-UHFFFAOYSA-N	2	0	329.513	3.175	40	0		EGABRP
C[N@H+](CCCc1cc(-c2ccc(F)cc2)n[nH]1)CC1CC[NH2+]CC1	ZINC000252503508	455816390	/nfs/dbraw/zinc/81/63/90/455816390.db2.gz	VECVEHZRRPOFLJ-UHFFFAOYSA-N	2	0	330.451	3.080	40	0		EGABRP
FC(F)(F)CO[C@@H]1CCCC[C@@H]1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1	ZINC000245289563	303115798	/nfs/dbraw/zinc/11/57/98/303115798.db2.gz	CRVXSOWJFNCXPI-LVQVYYBASA-N	2	0	334.426	3.341	40	0		EGABRP
Cn1cc(C[NH+]2CCC3(CC2)CC[NH+](Cc2cccs2)CC3)cn1	ZINC000096047186	454269924	/nfs/dbraw/zinc/26/99/24/454269924.db2.gz	YYHMEWGSTNFCST-UHFFFAOYSA-N	2	0	344.528	3.360	40	0		EGABRP
Cc1ccc(C[NH+]2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)o1	ZINC000096046509	454270120	/nfs/dbraw/zinc/27/01/20/454270120.db2.gz	LNHUNLHDJLTGKP-UHFFFAOYSA-N	2	0	325.456	3.471	40	0		EGABRP
CC(C)[N@H+](C)C[C@H]1CCC2(CC[NH+](Cc3cccnc3)CC2)CO1	ZINC000096224943	454309482	/nfs/dbraw/zinc/30/94/82/454309482.db2.gz	VVFUYQOBPSHTAB-LJQANCHMSA-N	2	0	331.504	3.183	40	0		EGABRP
COc1cc2cc[nH+]c(N3CCn4c(C)c(C)nc4C3)c2cc1OC	ZINC000663516649	461683067	/nfs/dbraw/zinc/68/30/67/461683067.db2.gz	BMMIMVQMBYYCGJ-UHFFFAOYSA-N	2	0	338.411	3.086	40	0		EGABRP
NC(=[NH2+])c1ccc2oc(C=Cc3nc4cc(C(N)=[NH2+])ccc4[nH]3)cc2c1	ZINC000005479130	452877175	/nfs/dbraw/zinc/87/71/75/452877175.db2.gz	OOKWWPFCCCMWIS-UTCJRWHESA-N	2	0	344.378	3.048	40	0		EGABRP
C[N@H+](C[C@H]1CO[C@]2(C1)CCC[NH+](CCc1ccccc1)C2)C1CC1	ZINC000248090557	455680334	/nfs/dbraw/zinc/68/03/34/455680334.db2.gz	XQAZPTWCEAUBDZ-FPOVZHCZSA-N	2	0	328.500	3.194	40	0		EGABRP
C[C@H](C[N@@H+]1CCc2nc([C@H]3CCCC[NH2+]3)ncc2C1)c1ccccc1	ZINC000248168728	455692925	/nfs/dbraw/zinc/69/29/25/455692925.db2.gz	QFPMVKDOFNKWCF-OXQOHEQNSA-N	2	0	336.483	3.453	40	0		EGABRP
C[C@@H](CC[N@@H+]1CCc2nc([C@@H]3CC[NH2+]C3)ncc2C1)c1ccccc1	ZINC000019455730	212029346	/nfs/dbraw/zinc/02/93/46/212029346.db2.gz	OOFAILVYZMZMAE-FUHWJXTLSA-N	2	0	336.483	3.105	40	0		EGABRP
CC(C)[C@H]([NH3+])C(=O)N1CCCC[C@H]1C[N@H+](Cc1ccccc1)C(C)C	ZINC000079415913	276019874	/nfs/dbraw/zinc/01/98/74/276019874.db2.gz	NQYRQKSOZFSDLG-PMACEKPBSA-N	2	0	345.531	3.261	40	0		EGABRP
CC(C)[C@H]([NH3+])C(=O)N[C@H]1CCCC[C@H]1[N@H+](Cc1ccccc1)C1CC1	ZINC000079415963	280275373	/nfs/dbraw/zinc/27/53/73/280275373.db2.gz	SHIQZZNATFIIEU-ZCNNSNEGSA-N	2	0	343.515	3.062	40	0		EGABRP
CC(C)Oc1ccc(C[NH2+]CC[C@@]2(O)C[C@@H](C)[N@H+](C)C[C@@H]2C)cc1	ZINC000013765782	453488373	/nfs/dbraw/zinc/48/83/73/453488373.db2.gz	VTZLVAXMWLFFNO-SQGPQFPESA-N	2	0	334.504	3.045	40	0		EGABRP
C[C@@H](C[N@@H+]1CCc2nc([C@H]3CCCC[NH2+]3)ncc2C1)c1ccccc1	ZINC000248168725	455692818	/nfs/dbraw/zinc/69/28/18/455692818.db2.gz	QFPMVKDOFNKWCF-OXJNMPFZSA-N	2	0	336.483	3.453	40	0		EGABRP
CCC[N@H+](CC[C@H]1CC[C@H]([NH3+])CC1)[C@H]1CCc2nc(N)sc2C1	ZINC000257362185	455898230	/nfs/dbraw/zinc/89/82/30/455898230.db2.gz	CJSNSEJQHILRQM-KKUMJFAQSA-N	2	0	336.549	3.202	40	0		EGABRP
C[N@@H+]1C[C@H](COCC2CC2)C2(C1)CC[NH+](Cc1ccsc1)CC2	ZINC000585104249	459823709	/nfs/dbraw/zinc/82/37/09/459823709.db2.gz	XHXKJSCUBTUAHP-GOSISDBHSA-N	2	0	334.529	3.319	40	0		EGABRP
COC[C@H]1C[N@H+](Cc2ccco2)CC12CC[NH+](Cc1ccco1)CC2	ZINC000585102787	459824136	/nfs/dbraw/zinc/82/41/36/459824136.db2.gz	FSBDZKLKNYHDMM-QGZVFWFLSA-N	2	0	344.455	3.233	40	0		EGABRP
Cc1ccccc1O[C@@H]1CCC[C@H]([NH2+]CCC[NH+]2CCCCC2)[C@H]1O	ZINC000585289670	459833364	/nfs/dbraw/zinc/83/33/64/459833364.db2.gz	UONWOFDPBNOCBV-CEWLAPEOSA-N	2	0	346.515	3.121	40	0		EGABRP
CC1(C)CC([N@@H+](Cc2ccccn2)C[C@H]2CCOC2)CC(C)(C)[NH2+]1	ZINC000036740497	453930779	/nfs/dbraw/zinc/93/07/79/453930779.db2.gz	AOLJFMHOBITAEO-MRXNPFEDSA-N	2	0	331.504	3.229	40	0		EGABRP
CC(C)[C@H]([NH3+])C(=O)N1CCC(C[N@H+](Cc2ccccc2)C(C)C)CC1	ZINC000079391070	217217701	/nfs/dbraw/zinc/21/77/01/217217701.db2.gz	LUDDDOBGGBGOFE-FQEVSTJZSA-N	2	0	345.531	3.119	40	0		EGABRP
COC[C@@H]1C[N@H+](Cc2ccco2)CC12CC[NH+](C1CCCC1)CC2	ZINC000585103856	459824197	/nfs/dbraw/zinc/82/41/97/459824197.db2.gz	SFEWJZAOFNPITN-KRWDZBQOSA-N	2	0	332.488	3.383	40	0		EGABRP
C[N@@H+]1C[C@@H](COCC2CC2)C2(C1)CC[NH+](Cc1cccs1)CC2	ZINC000585102748	459824439	/nfs/dbraw/zinc/82/44/39/459824439.db2.gz	CWGIEORXMUQOIH-KRWDZBQOSA-N	2	0	334.529	3.319	40	0		EGABRP
COc1cccc(C[N@@H+]2CCC3(C2)CC[NH+](C[C@@H]2CCOC2)CC3)c1	ZINC000096062862	454278164	/nfs/dbraw/zinc/27/81/64/454278164.db2.gz	FUPIABQJQUZLSV-IBGZPJMESA-N	2	0	344.499	3.020	40	0		EGABRP
Cn1cccc1C[NH+]1CCC2(CC([N@H+](C)Cc3ccco3)C2)CC1	ZINC000096159253	454295876	/nfs/dbraw/zinc/29/58/76/454295876.db2.gz	KBCZBTMFRLNRPC-UHFFFAOYSA-N	2	0	327.472	3.495	40	0		EGABRP
COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](Cc1sccc1C)C2	ZINC000096220160	454307255	/nfs/dbraw/zinc/30/72/55/454307255.db2.gz	DAVWRANARBXOEN-HKUYNNGSSA-N	2	0	334.529	3.237	40	0		EGABRP
O=C(CC[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1)Nc1ccc(Cl)cc1	ZINC000150759693	454887405	/nfs/dbraw/zinc/88/74/05/454887405.db2.gz	UMQGJAIKDMWZRC-HNNXBMFYSA-N	2	0	335.879	3.086	40	0		EGABRP
COc1ccccc1[C@H](C)C[NH2+][C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@@H]1C	ZINC000195540644	455982925	/nfs/dbraw/zinc/98/29/25/455982925.db2.gz	NUZPKECEMMKQQK-DOADOZAASA-N	2	0	346.515	3.278	40	0		EGABRP
CCC(=O)OC1(c2ccccc2)[C@H](C[NH+](C)C)CCC[C@H]1C[NH+](C)C	ZINC000001593612	281956218	/nfs/dbraw/zinc/95/62/18/281956218.db2.gz	AASZLMNELMGABE-OALUTQOASA-N	2	0	346.515	3.375	40	0		EGABRP
Cn1ccnc1C[NH+]1CCC2(CC[NH+](Cc3cccs3)CC2)CC1	ZINC000096062997	454277906	/nfs/dbraw/zinc/27/79/06/454277906.db2.gz	ZOJGAUPRUPYCTF-UHFFFAOYSA-N	2	0	344.528	3.360	40	0		EGABRP
Fc1ccccc1C[NH+]1CCC(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1	ZINC000096484337	454366325	/nfs/dbraw/zinc/36/63/25/454366325.db2.gz	AZVIYRVPZGGFPZ-WOJBJXKFSA-N	3	0	345.506	3.254	40	0		EGABRP
C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)C[NH+]2CCC(C)CC2)CC1	ZINC000012113263	211293286	/nfs/dbraw/zinc/29/32/86/211293286.db2.gz	SBPHWEOJGVEEMD-SFHVURJKSA-N	2	0	343.515	3.060	40	0		EGABRP
C[NH+](C)Cc1cccc(NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)c1	ZINC000044292893	454095568	/nfs/dbraw/zinc/09/55/68/454095568.db2.gz	GLHOBROVDIDXNU-UHFFFAOYSA-N	2	0	332.492	3.179	40	0		EGABRP
C[N@H+](Cc1ccco1)[C@@H]1COC2(C1)CC[NH+](Cc1ccco1)CC2	ZINC000096047997	454271636	/nfs/dbraw/zinc/27/16/36/454271636.db2.gz	YCMVVDRBPHZKPO-INIZCTEOSA-N	2	0	330.428	3.128	40	0		EGABRP
COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](Cc1sccc1C)C2	ZINC000096217775	454307628	/nfs/dbraw/zinc/30/76/28/454307628.db2.gz	DAVWRANARBXOEN-MJGOQNOKSA-N	2	0	334.529	3.237	40	0		EGABRP
FC(F)(F)CO[C@H]1CCCC[C@@H]1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1	ZINC000096484343	454366494	/nfs/dbraw/zinc/36/64/94/454366494.db2.gz	CRVXSOWJFNCXPI-FPCVCCKLSA-N	2	0	334.426	3.341	40	0		EGABRP
FC(F)(F)CO[C@H]1CCCC[C@H]1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1	ZINC000096484341	454366732	/nfs/dbraw/zinc/36/67/32/454366732.db2.gz	CRVXSOWJFNCXPI-JJXSEGSLSA-N	2	0	334.426	3.341	40	0		EGABRP
Cc1cc(N2CCC[C@H]([NH+]3CCOCC3)CC2)c2ccccc2[nH+]1	ZINC000518796197	458894400	/nfs/dbraw/zinc/89/44/00/458894400.db2.gz	WFDDEWIPOXWGRY-KRWDZBQOSA-N	2	0	325.456	3.234	40	0		EGABRP
C[C@@H]([NH2+]Cc1cccc(O)c1)c1cc(F)ccc1N1CC[NH+](C)CC1	ZINC000078553337	217075048	/nfs/dbraw/zinc/07/50/48/217075048.db2.gz	PVNPNLNGIDTPIW-OAHLLOKOSA-N	2	0	343.446	3.134	40	0		EGABRP
Cc1ccc(C[NH+]2CCC3(CC[N@@H+](C4CCOCC4)C3)CC2)cc1	ZINC000096157620	454294752	/nfs/dbraw/zinc/29/47/52/454294752.db2.gz	RLCGFZCRIWHPHI-UHFFFAOYSA-N	2	0	328.500	3.462	40	0		EGABRP
C[N@H+](Cc1ccccn1)C1CC2(C1)CC[NH+](Cc1ccccn1)CC2	ZINC000096159261	454295843	/nfs/dbraw/zinc/29/58/43/454295843.db2.gz	ORXQFGVPLZJZNI-UHFFFAOYSA-N	2	0	336.483	3.353	40	0		EGABRP
C[C@@H](C[N@@H+]1CCc2nc([C@@H]3CCCC[NH2+]3)ncc2C1)c1ccccc1	ZINC000019456385	212029253	/nfs/dbraw/zinc/02/92/53/212029253.db2.gz	QFPMVKDOFNKWCF-JXFKEZNVSA-N	2	0	336.483	3.453	40	0		EGABRP
c1ccc(C[N@@H+]2CCCC[C@@H]2c2ccc(N3CC[NH2+]CC3)nc2)cc1	ZINC000072216308	454274110	/nfs/dbraw/zinc/27/41/10/454274110.db2.gz	DIADBPAAACHMEZ-HXUWFJFHSA-N	2	0	336.483	3.218	40	0		EGABRP
Cc1noc(C)c1C[NH+]1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1	ZINC000096157406	454293778	/nfs/dbraw/zinc/29/37/78/454293778.db2.gz	BKZMHNRZGQIVDZ-UHFFFAOYSA-N	2	0	340.471	3.175	40	0		EGABRP
CC(C)[C@H]([NH3+])C(=O)N1CCC[C@@H](C[N@H+](Cc2ccccc2)C(C)C)C1	ZINC000079391065	454407450	/nfs/dbraw/zinc/40/74/50/454407450.db2.gz	QOKZJPPMIXCQIK-UXHICEINSA-N	2	0	345.531	3.119	40	0		EGABRP
Cc1cc(CC[NH2+][C@@H]2CC[N@@H+](C[C@@H]3CCCO3)C[C@@H]2C)cc(C)c1O	ZINC000252536802	455820625	/nfs/dbraw/zinc/82/06/25/455820625.db2.gz	JPDFASFMXVBQCQ-YSIASYRMSA-N	2	0	346.515	3.031	40	0		EGABRP
COC[C@@H]1C[N@H+](Cc2cccnc2)CC12CC[NH+](CC1CCC1)CC2	ZINC000585103842	459824156	/nfs/dbraw/zinc/82/41/56/459824156.db2.gz	SBQAAWYQNFDEBK-FQEVSTJZSA-N	2	0	343.515	3.042	40	0		EGABRP
Cc1[nH+]cc2cc(C3(C)CC[NH+](Cc4cccnc4)CC3)nc(C)n21	ZINC000257209628	244145699	/nfs/dbraw/zinc/14/56/99/244145699.db2.gz	BRESPDXFMZVQKJ-UHFFFAOYSA-N	2	0	335.455	3.295	40	0		EGABRP
CSCC[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1ccc(C[NH+](C)C)cc1	ZINC000019583576	212047446	/nfs/dbraw/zinc/04/74/46/212047446.db2.gz	SORKLGIZSMTPTC-VQTJNVASSA-N	2	0	347.572	3.150	40	0		EGABRP
OC1CC[NH+](Cc2ccc(C[NH2+]Cc3ccccc3F)cc2)CC1	ZINC000078553930	217074926	/nfs/dbraw/zinc/07/49/26/217074926.db2.gz	NISMRZUIKVCDOD-UHFFFAOYSA-N	2	0	328.431	3.072	40	0		EGABRP
CC(C)[C@H]([NH3+])C(=O)N1CCC[C@H](C[N@H+](Cc2ccccc2)C(C)C)C1	ZINC000079391062	217217277	/nfs/dbraw/zinc/21/72/77/217217277.db2.gz	QOKZJPPMIXCQIK-PMACEKPBSA-N	2	0	345.531	3.119	40	0		EGABRP
CC[NH+]1CCN(c2cc(C[NH2+][C@@H](C)c3sccc3C)ccn2)CC1	ZINC000095421339	218362871	/nfs/dbraw/zinc/36/28/71/218362871.db2.gz	TWNMCOXJUSFSDE-INIZCTEOSA-N	2	0	344.528	3.444	40	0		EGABRP
C[C@H](Cc1ccsc1)[NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1	ZINC000096479064	218855039	/nfs/dbraw/zinc/85/50/39/218855039.db2.gz	LDHAHNZXBFJJAJ-MRXNPFEDSA-N	2	0	344.524	3.426	40	0		EGABRP
Cc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+](C[C@@H]3CCOC3)CC1)[C@@H](C)C2	ZINC000195553600	281116290	/nfs/dbraw/zinc/11/62/90/281116290.db2.gz	NMWRACKFUNUYRX-XGHQBKJUSA-N	2	0	328.500	3.319	40	0		EGABRP
Cc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+](C[C@H]3CCOC3)CC1)[C@@H](C)C2	ZINC000195553604	281116348	/nfs/dbraw/zinc/11/63/48/281116348.db2.gz	NMWRACKFUNUYRX-CSODHUTKSA-N	2	0	328.500	3.319	40	0		EGABRP
FC(F)(F)CO[C@@H]1CCCC[C@H]1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1	ZINC000096484342	454366624	/nfs/dbraw/zinc/36/66/24/454366624.db2.gz	CRVXSOWJFNCXPI-ZJIFWQFVSA-N	2	0	334.426	3.341	40	0		EGABRP
CC(C)[C@H]([NH3+])C(=O)N[C@H]1CCCC[C@@H]1[N@H+](Cc1ccccc1)C1CC1	ZINC000079415956	454412182	/nfs/dbraw/zinc/41/21/82/454412182.db2.gz	SHIQZZNATFIIEU-UFYCRDLUSA-N	2	0	343.515	3.062	40	0		EGABRP
Cc1ccc(C[NH+]2CCC3(C[N@H+](C)C[C@@H]3COCC3CC3)CC2)o1	ZINC000248122990	455682828	/nfs/dbraw/zinc/68/28/28/455682828.db2.gz	KRBGZWOZGCOUAA-GOSISDBHSA-N	2	0	332.488	3.158	40	0		EGABRP
FC(F)(F)[C@@H]1CCC[C@@H]([NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)C1	ZINC000129978503	205219735	/nfs/dbraw/zinc/21/97/35/205219735.db2.gz	CRWFLEGRKVNBHW-SQWLQELKSA-N	2	0	334.426	3.198	40	0		EGABRP
Cc1noc(C)c1C[NH+]1CCC2(C[C@@H](COCC3CC3)[N@H+](C)C2)CC1	ZINC000096215283	454305536	/nfs/dbraw/zinc/30/55/36/454305536.db2.gz	JAVWBJCJEBBLSH-SFHVURJKSA-N	2	0	347.503	3.004	40	0		EGABRP
FC(F)(F)[C@@H]1CCC[C@H]([NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)C1	ZINC000249089474	455744270	/nfs/dbraw/zinc/74/42/70/455744270.db2.gz	CRWFLEGRKVNBHW-FMKPAKJESA-N	2	0	334.426	3.198	40	0		EGABRP
Cc1cccc(O[C@@H]2CCC[C@H]([NH2+]C3CC[NH+](C(C)C)CC3)[C@H]2O)c1	ZINC000585289167	459833212	/nfs/dbraw/zinc/83/32/12/459833212.db2.gz	NGLWDNYTZUFXFI-PWRODBHTSA-N	2	0	346.515	3.118	40	0		EGABRP
C[NH2+]C1CCC2(CC1)C[N@H+](Cc1ccccn1)Cc1ccccc1O2	ZINC000019591992	202012721	/nfs/dbraw/zinc/01/27/21/202012721.db2.gz	SYDREEZOOVWOOU-UHFFFAOYSA-N	2	0	337.467	3.377	40	0		EGABRP
CC[NH+]1CCC2(CC1)C[N@H+](C[C@H]1CCOC1)Cc1cc(C)ccc1O2	ZINC000072394198	276360486	/nfs/dbraw/zinc/36/04/86/276360486.db2.gz	NGUDKTYCSQSNLN-GOSISDBHSA-N	2	0	344.499	3.080	40	0		EGABRP
CC(C)[C@H]([NH3+])C(=O)N[C@H]1CCCC[C@@H]1[N@H+](Cc1ccccc1)C(C)C	ZINC000079391074	454407008	/nfs/dbraw/zinc/40/70/08/454407008.db2.gz	NOQGYEHQDWULFR-UFYCRDLUSA-N	2	0	345.531	3.308	40	0		EGABRP
Cc1ccc(C[NH+]2CCC3(C[N@H+](C)C[C@H]3COCC3CC3)CC2)o1	ZINC000248122994	455682688	/nfs/dbraw/zinc/68/26/88/455682688.db2.gz	KRBGZWOZGCOUAA-SFHVURJKSA-N	2	0	332.488	3.158	40	0		EGABRP
C[N@@H+]1C[C@H](COCC2CC2)C2(C1)CC[NH+](Cc1cccs1)CC2	ZINC000585102749	459823992	/nfs/dbraw/zinc/82/39/92/459823992.db2.gz	CWGIEORXMUQOIH-QGZVFWFLSA-N	2	0	334.529	3.319	40	0		EGABRP
CC(C)[C@H]([NH3+])C(=O)N[C@@H]1CCCC[C@H]1[N@H+](Cc1ccccc1)C1CC1	ZINC000079415961	280274718	/nfs/dbraw/zinc/27/47/18/280274718.db2.gz	SHIQZZNATFIIEU-AQNXPRMDSA-N	2	0	343.515	3.062	40	0		EGABRP
C[C@@H]1CCC[N@H+](Cc2ccc(C(=O)NCCC[NH+]3CCCC3)cc2)C1	ZINC000044913497	454126332	/nfs/dbraw/zinc/12/63/32/454126332.db2.gz	UGNFZCIVUXREEA-GOSISDBHSA-N	2	0	343.515	3.134	40	0		EGABRP
C[N@H+](Cc1ccco1)[C@H]1CCC12CC[NH+](CC1CCOCC1)CC2	ZINC000096051599	454273257	/nfs/dbraw/zinc/27/32/57/454273257.db2.gz	ZVZIVEMSLMFUAB-IBGZPJMESA-N	2	0	332.488	3.383	40	0		EGABRP
COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](Cc1ccc(C)s1)C2	ZINC000096218493	454306709	/nfs/dbraw/zinc/30/67/09/454306709.db2.gz	FXTNJINXNBLFDT-MJGOQNOKSA-N	2	0	334.529	3.237	40	0		EGABRP
CC(C)[C@H]([NH3+])C(=O)NC1CCC([N@H+](Cc2ccccc2)C2CC2)CC1	ZINC000079415946	454411774	/nfs/dbraw/zinc/41/17/74/454411774.db2.gz	JGEKEQILVNKWPR-QLOJAFMTSA-N	2	0	343.515	3.062	40	0		EGABRP
CC(C)[C@H]([NH3+])C(=O)N[C@H]1CC[C@H]([N@H+](Cc2ccccc2)C2CC2)CC1	ZINC000242538772	455271216	/nfs/dbraw/zinc/27/12/16/455271216.db2.gz	JGEKEQILVNKWPR-BJLQDIEVSA-N	2	0	343.515	3.062	40	0		EGABRP
COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](Cc1ccc(C)s1)C2	ZINC000096218463	454307886	/nfs/dbraw/zinc/30/78/86/454307886.db2.gz	FXTNJINXNBLFDT-HKUYNNGSSA-N	2	0	334.529	3.237	40	0		EGABRP
Cc1ccccc1O[C@@H]1CCC[C@H]([NH2+]CCCC[NH+]2CCCC2)[C@H]1O	ZINC000585289211	459833626	/nfs/dbraw/zinc/83/36/26/459833626.db2.gz	GDDIVFOVEDUPHM-CEWLAPEOSA-N	2	0	346.515	3.121	40	0		EGABRP
CC(C)[NH+]1CCN(CCC[N@H+](C)Cc2cccc3[nH]ccc32)CC1	ZINC000225723920	535199605	/nfs/dbraw/zinc/19/96/05/535199605.db2.gz	IXTPBBGJRCVTGM-UHFFFAOYSA-N	2	0	328.504	3.016	40	0		EGABRP
Cc1ccc(C[NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)s1	ZINC000078553944	202396244	/nfs/dbraw/zinc/39/62/44/202396244.db2.gz	BAKWYRUTVBIGNB-UHFFFAOYSA-N	2	0	330.497	3.303	40	0		EGABRP
FC(F)(F)CO[C@@H]1CCCC[C@@H]1C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1	ZINC000245289564	303115767	/nfs/dbraw/zinc/11/57/67/303115767.db2.gz	CRVXSOWJFNCXPI-QKPAOTATSA-N	2	0	334.426	3.341	40	0		EGABRP
C[C@H](CC[N@@H+]1CCc2nc([C@@H]3CCC[NH2+]3)ncc2C1)c1ccccc1	ZINC000019455724	202009333	/nfs/dbraw/zinc/00/93/33/202009333.db2.gz	MHPFOXIEDHMHNR-UZLBHIALSA-N	2	0	336.483	3.453	40	0		EGABRP
CC1(C)CC([N@@H+](Cc2ccccn2)C[C@@H]2CCOC2)CC(C)(C)[NH2+]1	ZINC000036740496	202330343	/nfs/dbraw/zinc/33/03/43/202330343.db2.gz	AOLJFMHOBITAEO-INIZCTEOSA-N	2	0	331.504	3.229	40	0		EGABRP
c1csc(C[N@H+]2CCC3(C2)CC[NH+](CC2CCOCC2)CC3)c1	ZINC000096046534	454270301	/nfs/dbraw/zinc/27/03/01/454270301.db2.gz	IRVXOYFGPQYGFL-UHFFFAOYSA-N	2	0	334.529	3.463	40	0		EGABRP
CC(C)[C@H]([NH3+])C(=O)N[C@H]1CCCC[C@H]1[N@H+](Cc1ccccc1)C(C)C	ZINC000079391076	454406984	/nfs/dbraw/zinc/40/69/84/454406984.db2.gz	NOQGYEHQDWULFR-ZCNNSNEGSA-N	2	0	345.531	3.308	40	0		EGABRP
C[C@H](CCc1ccc(O)cc1)[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2O)CC1	ZINC000253370252	455835328	/nfs/dbraw/zinc/83/53/28/455835328.db2.gz	OFPGUFMZCDPUAK-TYCQWZJGSA-N	2	0	346.515	3.071	40	0		EGABRP
CC1(C)CC([N@@H+](Cc2cccnc2)C[C@@H]2CCOC2)CC(C)(C)[NH2+]1	ZINC000036740533	202330545	/nfs/dbraw/zinc/33/05/45/202330545.db2.gz	ZNPDZBXOURCDQN-KRWDZBQOSA-N	2	0	331.504	3.229	40	0		EGABRP
Cn1ccnc1C[NH+]1CCC2(CC[C@H]([NH+](C)C)c3ccccc32)CC1	ZINC000096242653	454311594	/nfs/dbraw/zinc/31/15/94/454311594.db2.gz	AQHHXWSMMKTPGT-IBGZPJMESA-N	2	0	338.499	3.350	40	0		EGABRP
CC(C)[C@H]([NH3+])C(=O)N(C[C@@H]1CCCC[N@@H+]1Cc1ccccc1)C(C)C	ZINC000079404723	280271749	/nfs/dbraw/zinc/27/17/49/280271749.db2.gz	CTWWLNINKDQWDL-PMACEKPBSA-N	2	0	345.531	3.261	40	0		EGABRP
COC[C@@H]1CC2(C[N@@H+]1C(C)C)CC[NH+](Cc1ccc(OC)cc1)CC2	ZINC000096051759	454272972	/nfs/dbraw/zinc/27/29/72/454272972.db2.gz	JPOACAZTTNCJSI-IBGZPJMESA-N	2	0	346.515	3.407	40	0		EGABRP
COC[C@@H]1C[N@H+](Cc2csc(C)n2)CC12CC[NH+](C(C)C)CC2	ZINC000585103807	459824246	/nfs/dbraw/zinc/82/42/46/459824246.db2.gz	RPFRLWICVJCGGY-INIZCTEOSA-N	2	0	337.533	3.020	40	0		EGABRP
CC(C)[C@H]([NH3+])C(=O)N[C@@H]1CCCC[C@H]1[N@H+](Cc1ccccc1)C(C)C	ZINC000079391075	217217053	/nfs/dbraw/zinc/21/70/53/217217053.db2.gz	NOQGYEHQDWULFR-AQNXPRMDSA-N	2	0	345.531	3.308	40	0		EGABRP
COc1cccc(NC(=O)C[C@H](C)[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)c1	ZINC000007985287	453144814	/nfs/dbraw/zinc/14/48/14/453144814.db2.gz	PDRAWBDMUPELBL-AWEZNQCLSA-N	2	0	347.503	3.311	40	0		EGABRP
C[N@H+](CCCN1CC[NH+](C)CC1)CC(C)(C)c1ccc(Cl)cc1	ZINC000022581699	453694624	/nfs/dbraw/zinc/69/46/24/453694624.db2.gz	DJDCWJOMQNEEAI-UHFFFAOYSA-N	2	0	337.939	3.187	40	0		EGABRP
c1ccc(C[NH+]2CCC3(CC2)CC[NH+](Cc2ccccn2)CC3)nc1	ZINC000096047203	454270461	/nfs/dbraw/zinc/27/04/61/454270461.db2.gz	XUZPXWOPVUFQPJ-UHFFFAOYSA-N	2	0	336.483	3.355	40	0		EGABRP
c1ccc(C[N@@H+]2CCCC[C@H]2c2ccc(N3CC[NH2+]CC3)nc2)cc1	ZINC000072216309	454273746	/nfs/dbraw/zinc/27/37/46/454273746.db2.gz	DIADBPAAACHMEZ-FQEVSTJZSA-N	2	0	336.483	3.218	40	0		EGABRP
C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccc(COC2CCOCC2)cc1	ZINC000090723576	454337541	/nfs/dbraw/zinc/33/75/41/454337541.db2.gz	DRGLEBUWCZBKTR-WWMYMODYSA-N	2	0	346.515	3.201	40	0		EGABRP
COc1ccc([C@@H](C)[NH2+]C2CCN(C)CC2)cc1C[NH+]1CCCC1	ZINC000096491550	454368524	/nfs/dbraw/zinc/36/85/24/454368524.db2.gz	IACTURIARCDKFI-MRXNPFEDSA-N	2	0	331.504	3.036	40	0		EGABRP
FC(F)(F)[C@@H]1CCC[C@H]([NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)C1	ZINC000129978903	455136328	/nfs/dbraw/zinc/13/63/28/455136328.db2.gz	CRWFLEGRKVNBHW-LZWOXQAQSA-N	2	0	334.426	3.198	40	0		EGABRP
COC[C@H]1C[N@H+](Cc2ccco2)CC12CC[NH+](Cc1ccoc1)CC2	ZINC000247849481	455650105	/nfs/dbraw/zinc/65/01/05/455650105.db2.gz	OBDSXHLQKCXSKS-GOSISDBHSA-N	2	0	344.455	3.233	40	0		EGABRP
Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)[NH2+][C@@H]1C[C@@H](C)N(C2CC2)C1	ZINC000195553912	455984125	/nfs/dbraw/zinc/98/41/25/455984125.db2.gz	PAXSWWDWSTWKIY-UHIISALHSA-N	2	0	344.425	3.338	40	0		EGABRP
C[C@H](O)[C@@]12C[NH2+][C@@H](c3ccccc3)[C@@H]1C[N@H+](Cc1ccccc1)CC2	ZINC000248382117	1296411283	/nfs/dbraw/zinc/41/12/83/1296411283.db2.gz	VYLVOHNDVSEGOP-AGOPTVSRSA-N	2	0	336.479	3.220	40	0		EGABRP
C[NH+](C)CC(C)(C)C[N@H+]1C[C@@H](c2ccccc2)[C@H](c2cc[nH]n2)C1	ZINC000072395188	216192585	/nfs/dbraw/zinc/19/25/85/216192585.db2.gz	JHGHYCRXMWPSCN-ZWKOTPCHSA-N	2	0	326.488	3.181	40	0		EGABRP
O[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@H]2CCC[C@H](C(F)(F)F)C2)CC1	ZINC000249417412	280422942	/nfs/dbraw/zinc/42/29/42/280422942.db2.gz	ZTAFZZONAOHQQS-QSPRXWTASA-N	2	0	348.453	3.465	40	0		EGABRP
COC[C@@H]1CC2(C[N@@H+]1C(C)C)CC[NH+](Cc1scnc1C)CC2	ZINC000096206568	454304647	/nfs/dbraw/zinc/30/46/47/454304647.db2.gz	HMORYCYXHVTLFR-INIZCTEOSA-N	2	0	337.533	3.163	40	0		EGABRP
O[C@@H](c1ccccc1)C1(C[NH2+]C2CC[NH+](C3CCCC3)CC2)CC1	ZINC000090771280	454339696	/nfs/dbraw/zinc/33/96/96/454339696.db2.gz	GSNFCDXAVOTKQI-FQEVSTJZSA-N	2	0	328.500	3.497	40	0		EGABRP
C[NH+]1CCC(C[NH2+][C@@H](c2cccnc2)c2ccc(F)c(F)c2)CC1	ZINC000183557498	455305815	/nfs/dbraw/zinc/30/58/15/455305815.db2.gz	LFWNBCIZNGHUQS-LJQANCHMSA-N	2	0	331.410	3.381	40	0		EGABRP
C[C@H](CC(=O)N1CCCCCC1)[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1	ZINC000195557274	455984839	/nfs/dbraw/zinc/98/48/39/455984839.db2.gz	WSVZFJVBUTWITC-CEXWTWQISA-N	2	0	349.563	3.410	40	0		EGABRP
NC(=[NH2+])c1ccc2oc(C=Cc3nc4cc(C(N)=[NH2+])ccc4[nH]3)cc2c1	ZINC000005974293	210570559	/nfs/dbraw/zinc/57/05/59/210570559.db2.gz	OOKWWPFCCCMWIS-ZZXKWVIFSA-N	2	0	344.378	3.048	40	0	in-vivo	EGABRP
C[N@H+](Cc1ccco1)[C@@H]1COC2(C1)CC[NH+](Cc1ccoc1)CC2	ZINC000096048001	454271839	/nfs/dbraw/zinc/27/18/39/454271839.db2.gz	RHNJGEROFFUWCM-KRWDZBQOSA-N	2	0	330.428	3.128	40	0		EGABRP
COC[C@H]1CC2(C[N@@H+]1Cc1csc(C)n1)CC[NH+](CC1CC1)CC2	ZINC000096240357	454311706	/nfs/dbraw/zinc/31/17/06/454311706.db2.gz	NEQQWLCRQGXVHS-GOSISDBHSA-N	2	0	349.544	3.164	40	0		EGABRP
C[C@H](CCc1ccc(O)cc1)[NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1	ZINC000253370251	455834861	/nfs/dbraw/zinc/83/48/61/455834861.db2.gz	OFPGUFMZCDPUAK-MAODMQOUSA-N	2	0	346.515	3.071	40	0		EGABRP
Cc1ccccc1O[C@@H]1CCC[C@H]([NH2+]C2CC[NH+](C(C)C)CC2)[C@H]1O	ZINC000585288639	459833257	/nfs/dbraw/zinc/83/32/57/459833257.db2.gz	GDABGOGZYKZRLT-CEWLAPEOSA-N	2	0	346.515	3.118	40	0		EGABRP
CC[NH+](CC)CCC[NH2+]CCCNc1cc(OC)cc2cccnc21	ZINC000001591917	452670403	/nfs/dbraw/zinc/67/04/03/452670403.db2.gz	WJCXYGKZAGILOM-UHFFFAOYSA-N	2	0	344.503	3.367	40	0		EGABRP
CC[NH+](CC)CC[C@@H](CNC(N)=[NH2+])c1ccc(Cl)c(Cl)c1	ZINC000001652059	452671940	/nfs/dbraw/zinc/67/19/40/452671940.db2.gz	IRGHUHWCZDOKRL-LBPRGKRZSA-N	2	0	331.291	3.292	40	0		EGABRP
C[NH+]1CCN(c2ncccc2[C@H]2CCC[N@@H+]2Cc2ccccc2)CC1	ZINC000072216572	454274088	/nfs/dbraw/zinc/27/40/88/454274088.db2.gz	BYMDSLYMXAZQPL-HXUWFJFHSA-N	2	0	336.483	3.171	40	0		EGABRP
CC(C)[C@H]([NH3+])C(=O)N1CCCC[C@@H]1C[N@H+](Cc1ccccc1)C(C)C	ZINC000079415909	454411488	/nfs/dbraw/zinc/41/14/88/454411488.db2.gz	NQYRQKSOZFSDLG-UXHICEINSA-N	2	0	345.531	3.261	40	0		EGABRP
c1ccc(OCC2CC2)c(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)c1	ZINC000134118470	454505227	/nfs/dbraw/zinc/50/52/27/454505227.db2.gz	HODGFCVNVJRSCZ-UHFFFAOYSA-N	2	0	344.499	3.020	40	0		EGABRP
C[N@H+](C[C@@H]1CO[C@]2(C1)CCC[NH+](CCc1ccccc1)C2)C1CC1	ZINC000248090555	455680473	/nfs/dbraw/zinc/68/04/73/455680473.db2.gz	XQAZPTWCEAUBDZ-CTNGQTDRSA-N	2	0	328.500	3.194	40	0		EGABRP
C[C@H](CC[N@@H+]1CCc2nc([C@H]3CCC[NH2+]3)ncc2C1)c1ccccc1	ZINC000248235432	455700551	/nfs/dbraw/zinc/70/05/51/455700551.db2.gz	MHPFOXIEDHMHNR-OXQOHEQNSA-N	2	0	336.483	3.453	40	0		EGABRP
COC[C@H]1C[N@H+](Cc2ccco2)CC12CC[NH+](C1CCCC1)CC2	ZINC000585103859	459824464	/nfs/dbraw/zinc/82/44/64/459824464.db2.gz	SFEWJZAOFNPITN-QGZVFWFLSA-N	2	0	332.488	3.383	40	0		EGABRP
COc1cccc(NC(=O)C[C@@H](C)[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)c1	ZINC000007985288	453143968	/nfs/dbraw/zinc/14/39/68/453143968.db2.gz	PDRAWBDMUPELBL-CQSZACIVSA-N	2	0	347.503	3.311	40	0		EGABRP
C[N@H+](C[C@H]1CO[C@@]2(C1)CCC[NH+](CCc1ccccc1)C2)C1CC1	ZINC000096075655	454280009	/nfs/dbraw/zinc/28/00/09/454280009.db2.gz	XQAZPTWCEAUBDZ-PZJWPPBQSA-N	2	0	328.500	3.194	40	0		EGABRP
COc1ccccc1[C@H](C)C[NH2+][C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@H]1C	ZINC000252586149	455823046	/nfs/dbraw/zinc/82/30/46/455823046.db2.gz	NUZPKECEMMKQQK-FTEYMNFISA-N	2	0	346.515	3.278	40	0		EGABRP
COc1ccc(C[N@@H+]2CCOC[C@@H](CC[NH+]3CCCC3)[C@@H]2C)cc1	ZINC000306139438	456567995	/nfs/dbraw/zinc/56/79/95/456567995.db2.gz	SXFDQKFJTQUJEL-PKOBYXMFSA-N	2	0	332.488	3.018	40	0		EGABRP
COc1cccc(C[NH+]2CCC3(CC[N@H+](C[C@H]4CCOC4)C3)CC2)c1	ZINC000096062889	454277944	/nfs/dbraw/zinc/27/79/44/454277944.db2.gz	VBGXKGYQAMDWDB-LJQANCHMSA-N	2	0	344.499	3.020	40	0		EGABRP
CC(C)n1nccc1C[NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1	ZINC000253416471	455842510	/nfs/dbraw/zinc/84/25/10/455842510.db2.gz	FFDYVPMCZSOLAP-UHFFFAOYSA-N	2	0	342.487	3.227	40	0		EGABRP
COC[C@H]1C[N@H+](Cc2csc(C)n2)CC12CC[NH+](C1CCC1)CC2	ZINC000585102739	459824109	/nfs/dbraw/zinc/82/41/09/459824109.db2.gz	CPAUKTVCCDWDCL-MRXNPFEDSA-N	2	0	349.544	3.164	40	0		EGABRP
Cc1cc(F)ccc1C[NH2+][C@H](CN1CC[NH+](C)CC1)c1ccccc1	ZINC000069170957	215367116	/nfs/dbraw/zinc/36/71/16/215367116.db2.gz	NZKIQBMPGIYSSE-OAQYLSRUSA-N	2	0	341.474	3.212	40	0		EGABRP
C[NH+](C)Cc1cnc(CC2CC[NH+](CCc3ccccc3)CC2)cn1	ZINC000257233287	244220178	/nfs/dbraw/zinc/22/01/78/244220178.db2.gz	GOPOIRNPDZJTKS-UHFFFAOYSA-N	2	0	338.499	3.035	40	0		EGABRP
C[N@H+](CCSc1ccccc1)C1CC[NH+](C2CCOCC2)CC1	ZINC000095398355	218331095	/nfs/dbraw/zinc/33/10/95/218331095.db2.gz	ATOILTXTIUMCNM-UHFFFAOYSA-N	2	0	334.529	3.354	40	0		EGABRP
COC[C@H]1CC2(C[N@@H+]1C(C)C)CC[NH+](Cc1ccc(OC)cc1)CC2	ZINC000096051758	454273083	/nfs/dbraw/zinc/27/30/83/454273083.db2.gz	JPOACAZTTNCJSI-LJQANCHMSA-N	2	0	346.515	3.407	40	0		EGABRP
C[NH+]1CCN(c2ccc([C@H]3CCC[N@@H+]3Cc3ccccc3)cn2)CC1	ZINC000072216512	454273445	/nfs/dbraw/zinc/27/34/45/454273445.db2.gz	OYOLBOTZYZOWTI-HXUWFJFHSA-N	2	0	336.483	3.171	40	0		EGABRP
c1ccc(C[N@@H+]2CCCC[C@H]2c2cccnc2N2CC[NH2+]CC2)cc1	ZINC000072216369	454274185	/nfs/dbraw/zinc/27/41/85/454274185.db2.gz	QZLMWDVOBILXFU-FQEVSTJZSA-N	2	0	336.483	3.218	40	0		EGABRP
CCC[NH+]1CCC(NC(=O)c2ccc(C[N@H+](CC)C3CC3)cc2)CC1	ZINC000096403379	454322719	/nfs/dbraw/zinc/32/27/19/454322719.db2.gz	UEWUREYFGAYKNZ-UHFFFAOYSA-N	2	0	343.515	3.275	40	0		EGABRP
C[C@H](CC(=O)N1CCCCCC1)[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1	ZINC000195557277	455984865	/nfs/dbraw/zinc/98/48/65/455984865.db2.gz	WSVZFJVBUTWITC-GUDVDZBRSA-N	2	0	349.563	3.410	40	0		EGABRP
Cc1cc(F)ccc1C[NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1	ZINC000078553910	217075386	/nfs/dbraw/zinc/07/53/86/217075386.db2.gz	NJVYZZDVOPUTIB-UHFFFAOYSA-N	2	0	342.458	3.381	40	0		EGABRP
C[NH2+]CCC[NH2+]Cc1ccc(OCc2ccccc2C)c(OC)c1	ZINC000016362763	453602613	/nfs/dbraw/zinc/60/26/13/453602613.db2.gz	POGKQCBLKFGZBQ-UHFFFAOYSA-N	2	0	328.456	3.282	40	0		EGABRP
C[C@H](CC[N@@H+]1CCc2nc([C@H]3CC[NH2+]C3)ncc2C1)c1ccccc1	ZINC000248241377	455700614	/nfs/dbraw/zinc/70/06/14/455700614.db2.gz	OOFAILVYZMZMAE-AEFFLSMTSA-N	2	0	336.483	3.105	40	0		EGABRP
C[N@H+](Cc1ccco1)[C@@H]1CCC12CC[NH+](CC1CCOCC1)CC2	ZINC000096051598	454272869	/nfs/dbraw/zinc/27/28/69/454272869.db2.gz	ZVZIVEMSLMFUAB-LJQANCHMSA-N	2	0	332.488	3.383	40	0		EGABRP
C[N@H+](Cc1ccccn1)C1CC2(C1)CC[NH+](Cc1cccnc1)CC2	ZINC000096159262	454295289	/nfs/dbraw/zinc/29/52/89/454295289.db2.gz	CTIJFPAWJIAPDT-UHFFFAOYSA-N	2	0	336.483	3.353	40	0		EGABRP
COc1ccccc1[C@H](C)C[NH2+][C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@@H]1C	ZINC000252586148	455822901	/nfs/dbraw/zinc/82/29/01/455822901.db2.gz	NUZPKECEMMKQQK-AJYBTWMASA-N	2	0	346.515	3.278	40	0		EGABRP
CC(C)c1nc2c(s1)C[NH2+]CC21CC[NH+](Cc2cccnc2)CC1	ZINC000306124362	547459847	/nfs/dbraw/zinc/45/98/47/547459847.db2.gz	BNMXUBRKKICRIR-UHFFFAOYSA-N	2	0	342.512	3.299	40	0		EGABRP
CC(C)[NH+]1CCC2(CC1)C[C@@H]([NH2+][C@H]1CCOC1)c1ccccc1O2	ZINC000096242716	454311304	/nfs/dbraw/zinc/31/13/04/454311304.db2.gz	WASXFJZLBZSEFX-FUHWJXTLSA-N	2	0	330.472	3.132	40	0		EGABRP
Cn1ccnc1C[NH+]1CCC2(CC[C@@H]([NH+](C)C)c3ccccc32)CC1	ZINC000096242654	454311937	/nfs/dbraw/zinc/31/19/37/454311937.db2.gz	AQHHXWSMMKTPGT-LJQANCHMSA-N	2	0	338.499	3.350	40	0		EGABRP
c1cc2n(n1)C[C@H](CNc1ccccn1)CN(Cc1ccccc1)C2	ZINC000248133475	455685763	/nfs/dbraw/zinc/68/57/63/455685763.db2.gz	YGJIZHVVHQRZGF-GOSISDBHSA-N	2	0	333.439	3.022	40	0		EGABRP
OC1CC[NH+](Cc2ccc(C[NH2+]C/C=C/c3ccccc3)cc2)CC1	ZINC000078553916	217075087	/nfs/dbraw/zinc/07/50/87/217075087.db2.gz	XUIMJHXBHRGSCO-QPJJXVBHSA-N	2	0	336.479	3.446	40	0		EGABRP
CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]Cc2ccncc2)CC1	ZINC000078553378	217074833	/nfs/dbraw/zinc/07/48/33/217074833.db2.gz	NXVGVTODMVUNBE-INIZCTEOSA-N	2	0	342.462	3.213	40	0		EGABRP
c1csc([C@@H](CNC2CC[NH+](CC3CC3)CC2)[NH+]2CCCC2)c1	ZINC000095419057	218358785	/nfs/dbraw/zinc/35/87/85/218358785.db2.gz	BJHNDJNCQYNYED-GOSISDBHSA-N	2	0	333.545	3.349	40	0		EGABRP
CC(C)Oc1ccc(C[NH2+]CC[C@@]2(O)C[C@@H](C)[N@H+](C)C[C@H]2C)cc1	ZINC000004859444	210303857	/nfs/dbraw/zinc/30/38/57/210303857.db2.gz	VTZLVAXMWLFFNO-MBOZVWFJSA-N	2	0	334.504	3.045	40	0		EGABRP
C[C@H]1CCC[N@H+](Cc2ccc(C(=O)NCCC[NH+]3CCCC3)cc2)C1	ZINC000044913501	454126588	/nfs/dbraw/zinc/12/65/88/454126588.db2.gz	UGNFZCIVUXREEA-SFHVURJKSA-N	2	0	343.515	3.134	40	0		EGABRP
COC[C@@H]1CC2(C[N@@H+]1Cc1csc(C)n1)CC[NH+](CC1CC1)CC2	ZINC000096240358	454312046	/nfs/dbraw/zinc/31/20/46/454312046.db2.gz	NEQQWLCRQGXVHS-SFHVURJKSA-N	2	0	349.544	3.164	40	0		EGABRP
CC(C)[C@H]([NH3+])C(=O)N[C@@H]1CCCC[C@@H]1[N@H+](Cc1ccccc1)C1CC1	ZINC000079415949	454411318	/nfs/dbraw/zinc/41/13/18/454411318.db2.gz	SHIQZZNATFIIEU-AABGKKOBSA-N	2	0	343.515	3.062	40	0		EGABRP
Cc1ccc(C[NH+]2CCC(Cc3cnc(C[NH+](C)C)cn3)CC2)s1	ZINC000257281363	455882051	/nfs/dbraw/zinc/88/20/51/455882051.db2.gz	OOVNMRGRJJMNEX-UHFFFAOYSA-N	2	0	344.528	3.363	40	0		EGABRP
O[C@H](c1ccccc1)C1(C[NH2+]C2CC[NH+](C3CCCC3)CC2)CC1	ZINC000090771281	454338938	/nfs/dbraw/zinc/33/89/38/454338938.db2.gz	GSNFCDXAVOTKQI-HXUWFJFHSA-N	2	0	328.500	3.497	40	0		EGABRP
COc1ccccc1[C@@H]1CCC[N@@H+]1CCCN1CC[NH+](C(C)C)CC1	ZINC000192731607	455681298	/nfs/dbraw/zinc/68/12/98/455681298.db2.gz	XTRNFXAXXTWGNE-FQEVSTJZSA-N	2	0	345.531	3.248	40	0		EGABRP
COc1ccccc1[C@H](C)C[NH2+][C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@H]1C	ZINC000252586150	455822766	/nfs/dbraw/zinc/82/27/66/455822766.db2.gz	NUZPKECEMMKQQK-SOAMZJECSA-N	2	0	346.515	3.278	40	0		EGABRP
C[N@@H+](Cc1cccnc1)C[C@@H]1CCC2(C[NH+](CC3CCCC3)C2)OC1	ZINC000585104940	459825051	/nfs/dbraw/zinc/82/50/51/459825051.db2.gz	MQGNAMOURQFESF-FQEVSTJZSA-N	2	0	343.515	3.185	40	0		EGABRP
OC1CC[NH+](Cc2ccc(C[NH2+]Cc3ccc(F)cc3)cc2)CC1	ZINC000078553950	217075512	/nfs/dbraw/zinc/07/55/12/217075512.db2.gz	IIAQKPNTTFAPCT-UHFFFAOYSA-N	2	0	328.431	3.072	40	0		EGABRP
CC(C)Oc1ccc(C[NH2+]CC[C@@]2(O)C[C@H](C)[N@H+](C)C[C@H]2C)cc1	ZINC000004859446	210304040	/nfs/dbraw/zinc/30/40/40/210304040.db2.gz	VTZLVAXMWLFFNO-FUHIMQAGSA-N	2	0	334.504	3.045	40	0		EGABRP
Cc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+](C[C@H]3CCOC3)CC1)[C@H](C)C2	ZINC000252586105	281116794	/nfs/dbraw/zinc/11/67/94/281116794.db2.gz	NMWRACKFUNUYRX-CBGDNZLLSA-N	2	0	328.500	3.319	40	0		EGABRP
Cn1ccnc1C[NH+]1CCC2(CC([N@H+](C)Cc3cccs3)C2)CC1	ZINC000096063168	454279062	/nfs/dbraw/zinc/27/90/62/454279062.db2.gz	WUIVYFOAKOWNBH-UHFFFAOYSA-N	2	0	344.528	3.358	40	0		EGABRP
Cc1cc(CC[NH2+][C@@H]2CC[N@@H+](C[C@@H]3CCCO3)C[C@H]2C)cc(C)c1O	ZINC000252536803	455820952	/nfs/dbraw/zinc/82/09/52/455820952.db2.gz	JPDFASFMXVBQCQ-YZGWKJHDSA-N	2	0	346.515	3.031	40	0		EGABRP
C[C@H](CC(=O)N1CCCCCC1)[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1	ZINC000253370823	455836319	/nfs/dbraw/zinc/83/63/19/455836319.db2.gz	WSVZFJVBUTWITC-QYZOEREBSA-N	2	0	349.563	3.410	40	0		EGABRP
C[N@H+](Cc1ccccc1CNC(=O)C1CC[NH2+]CC1)C1CCCCC1	ZINC000195543766	455982079	/nfs/dbraw/zinc/98/20/79/455982079.db2.gz	MTNJTWXEVXDTDO-UHFFFAOYSA-N	2	0	343.515	3.067	40	0		EGABRP
CCc1nnc(CNC2[C@@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)s1	ZINC000195577383	455987414	/nfs/dbraw/zinc/98/74/14/455987414.db2.gz	DSVBGXQXCLBIEQ-GJZGRUSLSA-N	2	0	344.528	3.347	40	0		EGABRP
COc1cccc([C@H](O)C(C[NH+]2CCCCC2)C[NH+]2CCCCC2)c1	ZINC000003594549	210060532	/nfs/dbraw/zinc/06/05/32/210060532.db2.gz	SPYJJRZJIRIEIX-NRFANRHFSA-N	2	0	346.515	3.317	40	0		EGABRP
CC(C)[C@H]([NH3+])C(=O)N[C@@H]1CCCC[C@@H]1[N@H+](Cc1ccccc1)C(C)C	ZINC000079391072	217217594	/nfs/dbraw/zinc/21/75/94/217217594.db2.gz	NOQGYEHQDWULFR-AABGKKOBSA-N	2	0	345.531	3.308	40	0		EGABRP
C[NH2+]CCC[NH2+]Cc1ccc(OCc2ccc(C)cc2)c(OC)c1	ZINC000008550133	453212694	/nfs/dbraw/zinc/21/26/94/453212694.db2.gz	FZPPUULUVZSTRN-UHFFFAOYSA-N	2	0	328.456	3.282	40	0		EGABRP
CC(C)[NH+]1CCC(C[N@H+](C)Cc2cnc(N3CCCCC3)nc2)CC1	ZINC000057811518	454148273	/nfs/dbraw/zinc/14/82/73/454148273.db2.gz	OWPBNAZMZPBPGC-UHFFFAOYSA-N	2	0	345.535	3.019	40	0		EGABRP
COc1cccc(C[NH+]2CCC3(CC[N@H+](C[C@@H]4CCOC4)C3)CC2)c1	ZINC000096062888	454278152	/nfs/dbraw/zinc/27/81/52/454278152.db2.gz	VBGXKGYQAMDWDB-IBGZPJMESA-N	2	0	344.499	3.020	40	0		EGABRP
C[N@H+](Cc1cccnc1)[C@@H]1COC2(C1)CC[NH+](CC1CCCC1)CC2	ZINC000096220901	454308410	/nfs/dbraw/zinc/30/84/10/454308410.db2.gz	KJSFYPNDNXZLHY-FQEVSTJZSA-N	2	0	343.515	3.327	40	0		EGABRP
O=C(CC[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1)Nc1ccc(Cl)cc1	ZINC000150759672	454887783	/nfs/dbraw/zinc/88/77/83/454887783.db2.gz	UMQGJAIKDMWZRC-OAHLLOKOSA-N	2	0	335.879	3.086	40	0		EGABRP
CC(=O)c1ccc[n+]([C@@H](C)CC[C@H](C)[n+]2cccc(C(C)=O)c2)c1	ZINC000001666330	209777164	/nfs/dbraw/zinc/77/71/64/209777164.db2.gz	BKWYHTQQDXKLJA-HOTGVXAUSA-N	2	0	326.440	3.269	40	0		EGABRP
CC(C)[C@H]([NH3+])C(=O)N1CCCC[C@H]1C[N@H+](Cc1ccccc1)C1CC1	ZINC000079415926	454411649	/nfs/dbraw/zinc/41/16/49/454411649.db2.gz	NNFKSZFXRBHDER-PMACEKPBSA-N	2	0	343.515	3.015	40	0		EGABRP
C[C@H](CCc1ccc(O)cc1)[NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1	ZINC000136495985	454745188	/nfs/dbraw/zinc/74/51/88/454745188.db2.gz	OFPGUFMZCDPUAK-CZAAIQMYSA-N	2	0	346.515	3.071	40	0		EGABRP
C[N@@H+](Cc1cccnc1)C[C@H]1CCC2(C[NH+](CC3CCCC3)C2)OC1	ZINC000585104942	459825196	/nfs/dbraw/zinc/82/51/96/459825196.db2.gz	MQGNAMOURQFESF-HXUWFJFHSA-N	2	0	343.515	3.185	40	0		EGABRP
CC(C)[C@H]([NH3+])C(=O)N(C[C@@H]1CCC[N@H+](Cc2ccccc2)C1)C(C)C	ZINC000079404732	217220409	/nfs/dbraw/zinc/22/04/09/217220409.db2.gz	YTJQUBBWFAJGCS-UXHICEINSA-N	2	0	345.531	3.119	40	0		EGABRP
CC(C)[C@H]([NH3+])C(=O)NC1CCC([N@H+](Cc2ccccc2)C(C)C)CC1	ZINC000079391068	217217507	/nfs/dbraw/zinc/21/75/07/217217507.db2.gz	KDBUBLSKJNCTJU-MHJFOBGBSA-N	2	0	345.531	3.308	40	0		EGABRP
O[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@@H]2CCC[C@@H](C(F)(F)F)C2)CC1	ZINC000249417409	285310067	/nfs/dbraw/zinc/31/00/67/285310067.db2.gz	ZTAFZZONAOHQQS-MXASKKJJSA-N	2	0	348.453	3.465	40	0		EGABRP
Cc1ccc2c(c1)C[N@@H+](Cc1ccncc1)CC1(CC[NH+](C)CC1)O2	ZINC000072394184	281071554	/nfs/dbraw/zinc/07/15/54/281071554.db2.gz	GXBWSFATXQDAHE-UHFFFAOYSA-N	2	0	337.467	3.249	40	0		EGABRP
Cc1ccc(C[NH+]2CC[C@H]3CO[C@H](C[N@@H+](C)Cc4ccco4)[C@H]3C2)o1	ZINC000096056296	454274991	/nfs/dbraw/zinc/27/49/91/454274991.db2.gz	SUOVYLXQAPOCBZ-FFZOFVMBSA-N	2	0	344.455	3.150	40	0		EGABRP
Cc1ncsc1C[NH+]1CCC2(C[N@H+](C)C[C@H]2COCC2CC2)CC1	ZINC000585102655	459824220	/nfs/dbraw/zinc/82/42/20/459824220.db2.gz	ABSUOFCCRYORMA-KRWDZBQOSA-N	2	0	349.544	3.022	40	0		EGABRP
CC(C)[C@H]([NH3+])C(=O)N(C[C@@H]1CCCC[N@@H+]1Cc1ccccc1)C1CC1	ZINC000079404784	217220144	/nfs/dbraw/zinc/22/01/44/217220144.db2.gz	OMSGEDAVEHNOTB-PMACEKPBSA-N	2	0	343.515	3.015	40	0		EGABRP
CC[NH+]1CCN(c2cc(C[NH2+][C@H](C)c3sccc3C)ccn2)CC1	ZINC000095421340	218362644	/nfs/dbraw/zinc/36/26/44/218362644.db2.gz	TWNMCOXJUSFSDE-MRXNPFEDSA-N	2	0	344.528	3.444	40	0		EGABRP
C[NH+]1CCN(c2ncccc2[C@@H]2CCC[N@@H+]2Cc2ccccc2)CC1	ZINC000072216571	257688215	/nfs/dbraw/zinc/68/82/15/257688215.db2.gz	BYMDSLYMXAZQPL-FQEVSTJZSA-N	2	0	336.483	3.171	40	0		EGABRP
C[NH+]1CCC(C[NH2+][C@H](c2cccnc2)c2ccc(F)c(F)c2)CC1	ZINC000183557479	455306022	/nfs/dbraw/zinc/30/60/22/455306022.db2.gz	LFWNBCIZNGHUQS-IBGZPJMESA-N	2	0	331.410	3.381	40	0		EGABRP
C[N@@H+]1C[C@@H](COCC2CC2)C2(C1)CC[NH+](Cc1ccsc1)CC2	ZINC000585104251	459824343	/nfs/dbraw/zinc/82/43/43/459824343.db2.gz	XHXKJSCUBTUAHP-SFHVURJKSA-N	2	0	334.529	3.319	40	0		EGABRP
CC1(C)CC([N@@H+](Cc2cccnc2)C[C@H]2CCOC2)CC(C)(C)[NH2+]1	ZINC000036740534	213114248	/nfs/dbraw/zinc/11/42/48/213114248.db2.gz	ZNPDZBXOURCDQN-QGZVFWFLSA-N	2	0	331.504	3.229	40	0		EGABRP
C[C@@H]([NH2+]Cc1cccs1)c1cc(F)ccc1N1CC[NH+](C)CC1	ZINC000078553307	217075745	/nfs/dbraw/zinc/07/57/45/217075745.db2.gz	PWUUBTKCOXEFGD-CQSZACIVSA-N	2	0	333.476	3.490	40	0		EGABRP
COc1cccc(C[N@@H+]2CCC3(C2)CC[NH+](C[C@H]2CCOC2)CC3)c1	ZINC000096062863	218557076	/nfs/dbraw/zinc/55/70/76/218557076.db2.gz	FUPIABQJQUZLSV-LJQANCHMSA-N	2	0	344.499	3.020	40	0		EGABRP
OCC[N@@H+]1Cc2ccccc2C2(CC[NH+](Cc3cccs3)CC2)C1	ZINC000096079569	275047195	/nfs/dbraw/zinc/04/71/95/275047195.db2.gz	GEZXTESZIDQOFE-UHFFFAOYSA-N	2	0	342.508	3.090	40	0		EGABRP
CC(C)[C@H]([NH3+])C(=O)N(C[C@H]1CCC[N@H+](Cc2ccccc2)C1)C(C)C	ZINC000079404737	280271851	/nfs/dbraw/zinc/27/18/51/280271851.db2.gz	YTJQUBBWFAJGCS-PMACEKPBSA-N	2	0	345.531	3.119	40	0		EGABRP
C[N@H+](Cc1ccco1)[C@H]1COC2(C1)CC[NH+](Cc1ccco1)CC2	ZINC000096047996	454271615	/nfs/dbraw/zinc/27/16/15/454271615.db2.gz	YCMVVDRBPHZKPO-MRXNPFEDSA-N	2	0	330.428	3.128	40	0		EGABRP
FC(F)(F)[C@@H]1CCC[C@@H]([NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)C1	ZINC000249089480	455744248	/nfs/dbraw/zinc/74/42/48/455744248.db2.gz	CRWFLEGRKVNBHW-IIAWOOMASA-N	2	0	334.426	3.198	40	0		EGABRP
COC[C@H]1C[N@H+](Cc2csc(C)n2)CC12CC[NH+](C(C)C)CC2	ZINC000585103808	459823973	/nfs/dbraw/zinc/82/39/73/459823973.db2.gz	RPFRLWICVJCGGY-MRXNPFEDSA-N	2	0	337.533	3.020	40	0		EGABRP
CSCC[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1ccc(C[NH+](C)C)cc1	ZINC000019583573	212047573	/nfs/dbraw/zinc/04/75/73/212047573.db2.gz	SORKLGIZSMTPTC-PMACEKPBSA-N	2	0	347.572	3.150	40	0		EGABRP
CC(C)[N@@H+]1Cc2ccccc2OC2(CCC([NH+]3CCOCC3)CC2)C1	ZINC000019448645	212028824	/nfs/dbraw/zinc/02/88/24/212028824.db2.gz	JJCQNJQREZLTDU-UHFFFAOYSA-N	2	0	344.499	3.303	40	0		EGABRP
C[NH2+]CCC[NH2+]Cc1ccc(OCc2ccccc2F)c(OC)c1	ZINC000008377071	453199622	/nfs/dbraw/zinc/19/96/22/453199622.db2.gz	RWEDMJAPOKRGMA-UHFFFAOYSA-N	2	0	332.419	3.112	40	0		EGABRP
C[NH+]1CCN(c2ccc([C@@H]3CCC[N@@H+]3Cc3ccccc3)cn2)CC1	ZINC000072216511	454273263	/nfs/dbraw/zinc/27/32/63/454273263.db2.gz	OYOLBOTZYZOWTI-FQEVSTJZSA-N	2	0	336.483	3.171	40	0		EGABRP
Cc1ncsc1C[NH+]1CCC2(C[C@@H](COCC3CC3)[N@H+](C)C2)CC1	ZINC000096208939	454305621	/nfs/dbraw/zinc/30/56/21/454305621.db2.gz	WFRCSQMGZUGUSP-KRWDZBQOSA-N	2	0	349.544	3.164	40	0		EGABRP
COc1ccccc1[C@H]1CCC[N@@H+]1CCCN1CC[NH+](C(C)C)CC1	ZINC000192731595	455681273	/nfs/dbraw/zinc/68/12/73/455681273.db2.gz	XTRNFXAXXTWGNE-HXUWFJFHSA-N	2	0	345.531	3.248	40	0		EGABRP
Cc1cc(Cc2ccc(NCCC[NH3+])c(C)c2)ccc1NCCC[NH3+]	ZINC000255188416	244046158	/nfs/dbraw/zinc/04/61/58/244046158.db2.gz	JRZJBAGFJNMECY-UHFFFAOYSA-N	2	0	340.515	3.416	40	0		EGABRP
Cc1c2ccccc2oc1C[NH+]1CCC(N(C)CC[NH+](C)C)CC1	ZINC000019566351	212044317	/nfs/dbraw/zinc/04/43/17/212044317.db2.gz	ARHPGIJIUHQXQD-UHFFFAOYSA-N	2	0	329.488	3.199	40	0		EGABRP
C[C@@H](CC[N@@H+]1CCc2nc([C@@H]3CCC[NH2+]3)ncc2C1)c1ccccc1	ZINC000019455722	212029896	/nfs/dbraw/zinc/02/98/96/212029896.db2.gz	MHPFOXIEDHMHNR-JXFKEZNVSA-N	2	0	336.483	3.453	40	0		EGABRP
CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]Cc2cccnc2)CC1	ZINC000078553371	217074733	/nfs/dbraw/zinc/07/47/33/217074733.db2.gz	YEOKPVFJLSAFMU-INIZCTEOSA-N	2	0	342.462	3.213	40	0		EGABRP
C(CCCCCSC1=[NH+]CCN1)CCCCSC1=[NH+]CCN1	ZINC000004748147	210269288	/nfs/dbraw/zinc/26/92/88/210269288.db2.gz	WCSWXIHLVNQQFP-UHFFFAOYSA-N	2	0	342.578	3.492	40	0		EGABRP
CC(C)Oc1ccc(C[NH2+]CC[C@@]2(O)C[C@H](C)[N@H+](C)C[C@@H]2C)cc1	ZINC000013765788	453488514	/nfs/dbraw/zinc/48/85/14/453488514.db2.gz	VTZLVAXMWLFFNO-ABSDTBQOSA-N	2	0	334.504	3.045	40	0		EGABRP
Cn1cccc1C[NH+]1CCC2(CC([N@H+](C)Cc3ccccn3)C2)CC1	ZINC000096159258	454295163	/nfs/dbraw/zinc/29/51/63/454295163.db2.gz	SNPCBDRGUVZYRY-UHFFFAOYSA-N	2	0	338.499	3.297	40	0		EGABRP
c1csc(C[NH+]2CCC3(CC2)CC[NH+](Cc2ccncc2)CC3)n1	ZINC000096047220	454269672	/nfs/dbraw/zinc/26/96/72/454269672.db2.gz	KOVGNYWNQDEXLV-UHFFFAOYSA-N	2	0	342.512	3.416	40	0		EGABRP
C[N@H+](Cc1ccncc1)C1CC2(C1)CC[NH+](Cc1ccccn1)CC2	ZINC000096159272	454295992	/nfs/dbraw/zinc/29/59/92/454295992.db2.gz	SHFKKMJHQVLQQP-UHFFFAOYSA-N	2	0	336.483	3.353	40	0		EGABRP
COC[C@H]1CC2(C[N@@H+]1C(C)C)CC[NH+](Cc1scnc1C)CC2	ZINC000096206567	454304583	/nfs/dbraw/zinc/30/45/83/454304583.db2.gz	HMORYCYXHVTLFR-MRXNPFEDSA-N	2	0	337.533	3.163	40	0		EGABRP
C[C@H]([NH2+]Cc1cccc(O)c1)c1cc(F)ccc1N1CC[NH+](C)CC1	ZINC000078553333	217074918	/nfs/dbraw/zinc/07/49/18/217074918.db2.gz	PVNPNLNGIDTPIW-HNNXBMFYSA-N	2	0	343.446	3.134	40	0		EGABRP
O[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@@H]2CCC[C@H](C(F)(F)F)C2)CC1	ZINC000130217359	285310474	/nfs/dbraw/zinc/31/04/74/285310474.db2.gz	ZTAFZZONAOHQQS-PQEBFOHHSA-N	2	0	348.453	3.465	40	0		EGABRP
CCC(=O)OC1(c2ccccc2)[C@@H](C[NH+](C)C)CCC[C@H]1C[NH+](C)C	ZINC000001593610	452668992	/nfs/dbraw/zinc/66/89/92/452668992.db2.gz	AASZLMNELMGABE-PMSBKCLSSA-N	2	0	346.515	3.375	40	0		EGABRP
C/C(=C\c1ccccc1)C[N@@H+]1CCc2nc([C@H]3CCC[NH2+]3)ncc2C1	ZINC000019014427	453653073	/nfs/dbraw/zinc/65/30/73/453653073.db2.gz	NMCPAYHOYOUTND-ZRNYNZGJSA-N	2	0	334.467	3.363	40	0		EGABRP
C/C(=C\c1ccccc1)C[N@@H+]1CCc2nc([C@@H]3CCC[NH2+]3)ncc2C1	ZINC000019014425	453653203	/nfs/dbraw/zinc/65/32/03/453653203.db2.gz	NMCPAYHOYOUTND-GRFAERAESA-N	2	0	334.467	3.363	40	0		EGABRP