smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[NH+](C)CCCN(CC1CC[NH+](C2Cc3ccccc3C2)CC1)C(=O)CCN1CCCO1	ZINC000012302991	524053580	/nfs/dbraw/zinc/05/35/80/524053580.db2.gz	FRSBVTYTCUYCNC-UHFFFAOYSA-N	2	0	442.648	2.674	50	0		IFAARP
COc1ccccc1C[N@@H+]1CCC[C@@H](CN(CC[NH+](C)C)C(=O)C(=O)c2ccco2)C1	ZINC000012585069	524448376	/nfs/dbraw/zinc/44/83/76/524448376.db2.gz	JWAQVEQNJQXDRD-LJQANCHMSA-N	2	0	427.545	2.773	50	0		IFAARP
COc1ccccc1C[N@@H+]1CCC[C@H](CN(CC[NH+](C)C)C(=O)c2cc(C)n(C)n2)C1	ZINC000012708823	524449534	/nfs/dbraw/zinc/44/95/34/524449534.db2.gz	YZUUUJWTDPIOEX-FQEVSTJZSA-N	2	0	427.593	2.653	50	0		IFAARP
COc1ccc(OC[C@@H](O)C[NH+]2CCC(O)CC2)c(C[NH2+]Cc2ccc(Cl)s2)c1	ZINC000011843501	556366713	/nfs/dbraw/zinc/36/67/13/556366713.db2.gz	SQGOEPBBLSFNHZ-KRWDZBQOSA-N	2	0	440.993	2.896	50	0		IFAARP
COc1cc(C[NH2+]C23CC4CC(CC(C4)C2)C3)ccc1OC[C@H](O)C[NH+]1CCC(O)CC1	ZINC000011843280	556366778	/nfs/dbraw/zinc/36/67/78/556366778.db2.gz	QWEXUSHHOWMULO-OJNXCIKNSA-N	2	0	444.616	2.950	50	0		IFAARP
COC(=O)C1CC[NH+](Cc2ccc(OC[C@@H](O)C[N@H+](C)Cc3ccccc3)cc2)CC1	ZINC000012053014	556392856	/nfs/dbraw/zinc/39/28/56/556392856.db2.gz	OEVIGGXVUBRPLC-QHCPKHFHSA-N	2	0	426.557	2.943	50	0		IFAARP
C[NH+](C)CCCN1C(=O)N(CCc2ccccc2)C2(CC[NH+](Cc3cccnc3)CC2)C1=O	ZINC000014733404	556437501	/nfs/dbraw/zinc/43/75/01/556437501.db2.gz	RNSAKFVYFCYOHC-UHFFFAOYSA-N	2	0	449.599	2.875	50	0		IFAARP
Cc1c(C(=O)NCCC[N@H+]2CCCC[C@H]2C)sc2ncnc(N3CC[NH+](C)CC3)c12	ZINC000033048295	556744521	/nfs/dbraw/zinc/74/45/21/556744521.db2.gz	LKKNXZLCYYIHNA-MRXNPFEDSA-N	2	0	430.622	2.746	50	0		IFAARP
O[C@@H](CCOc1ccccc1)C[NH2+]CCCCCC[NH2+]C[C@H](O)COc1ccccc1	ZINC000004686163	556878800	/nfs/dbraw/zinc/87/88/00/556878800.db2.gz	QRQXKWQQPIBTQJ-GOTSBHOMSA-N	2	0	430.589	2.996	50	0		IFAARP
C[NH+]1CCN(C[C@H](O)COc2ccc(C[NH2+]CC3C4CC5CC(C4)CC3C5)cc2)CC1	ZINC000019789607	556914491	/nfs/dbraw/zinc/91/44/91/556914491.db2.gz	VWOJONJYXGATPA-OWXPVBEESA-N	2	0	427.633	2.836	50	0		IFAARP
COc1ccc(C[NH2+]CCCN2CCCC2=O)cc1OC[C@@H](O)C[NH+]1CCCCCCC1	ZINC000014978834	557459663	/nfs/dbraw/zinc/45/96/63/557459663.db2.gz	CAWUEEMEVAXSAY-QFIPXVFZSA-N	2	0	447.620	2.803	50	0		IFAARP
Cn1cc(CC[N@H+](C)Cc2cccc(OC[C@@H](O)C[NH+]3CCc4ccccc4C3)c2)cn1	ZINC000019219447	569316484	/nfs/dbraw/zinc/31/64/84/569316484.db2.gz	YNRAXCTXRJQRME-VWLOTQADSA-N	2	0	434.584	2.893	50	0		IFAARP
CN(c1ccccc1C[NH2+]CCOc1ccc(S(C)(=O)=O)cc1)C1CC[NH+](C)CC1	ZINC000079073673	569324553	/nfs/dbraw/zinc/32/45/53/569324553.db2.gz	FXDVGKLERYWJSU-UHFFFAOYSA-N	2	0	431.602	2.789	50	0		IFAARP
CC[N@@H+]1CCC[C@H]1CN(CC1CC[NH+](CCOC)CC1)C(=O)Cc1ccccc1OC	ZINC000012314389	521653889	/nfs/dbraw/zinc/65/38/89/521653889.db2.gz	DHRJOWZAHBWWSJ-QHCPKHFHSA-N	2	0	431.621	2.909	50	0		IFAARP
COc1cc(C[NH2+]CCc2cccc(C)n2)ccc1OC[C@@H](O)C[NH+]1CCSCC1	ZINC000012305555	522457002	/nfs/dbraw/zinc/45/70/02/522457002.db2.gz	KFXRSALAIUALFZ-NRFANRHFSA-N	2	0	431.602	2.519	50	0		IFAARP
C[N@@H+]1CCCN(C(=O)c2nc3sccn3c2C[NH2+]Cc2ccc(-n3cccn3)cc2)CC1	ZINC000020864981	523806311	/nfs/dbraw/zinc/80/63/11/523806311.db2.gz	APTHAFFSSIFJGY-UHFFFAOYSA-N	2	0	449.584	2.649	50	0		IFAARP
COc1ccccc1C[NH2+]Cc1ccc(OC[C@H](O)C[NH+]2CCSCC2)c(OC)c1	ZINC000012315813	524487691	/nfs/dbraw/zinc/48/76/91/524487691.db2.gz	MJMQSHFNXXVEOG-HXUWFJFHSA-N	2	0	432.586	2.782	50	0		IFAARP
Cc1ccccc1OC[C@@H](O)C[NH2+]C1CCC([NH2+]C[C@H](O)COc2ccccc2C)CC1	ZINC000012540241	525307245	/nfs/dbraw/zinc/30/72/45/525307245.db2.gz	ADCIBYAOLKOWOK-MXXWWZHRSA-N	2	0	442.600	2.973	50	0		IFAARP
COc1ccc(OC[C@H](O)C[NH+]2CCC(O)CC2)c(C[NH2+]Cc2ccc(Cl)s2)c1	ZINC000011843500	556366702	/nfs/dbraw/zinc/36/67/02/556366702.db2.gz	SQGOEPBBLSFNHZ-QGZVFWFLSA-N	2	0	440.993	2.896	50	0		IFAARP
COC(=O)C1CC[NH+](C[C@H](O)COc2cccc(C[N@H+](C)Cc3ccc(C)o3)c2)CC1	ZINC000011954361	556380661	/nfs/dbraw/zinc/38/06/61/556380661.db2.gz	FDHVTAKBPGAKPR-NRFANRHFSA-N	2	0	430.545	2.845	50	0		IFAARP
CC[C@@H](C)[NH+]1CCC2(CC1)C(=O)N(CC[NH+](C)C)C(=O)N2CCc1ccc(OC)cc1	ZINC000014533227	556422025	/nfs/dbraw/zinc/42/20/25/556422025.db2.gz	ZEBQXZBDJDWQLU-LJQANCHMSA-N	2	0	430.593	2.697	50	0		IFAARP
Cc1ccc(OC[C@H]2C[C@@H](C(=O)NCCC[NH+](C)C)C[N@@H+](Cc3ccc(O)cc3)C2)cn1	ZINC000014542764	556426563	/nfs/dbraw/zinc/42/65/63/556426563.db2.gz	UTCSSDYJODPHTL-FCHUYYIVSA-N	2	0	440.588	2.681	50	0		IFAARP
C[NH+](C)CCN(C[C@@H]1CCC[N@H+](Cc2ccccc2F)C1)C(=O)CCN1CCCCO1	ZINC000014961393	556464225	/nfs/dbraw/zinc/46/42/25/556464225.db2.gz	TTXRMXLUZCZXSI-OAQYLSRUSA-N	2	0	434.600	2.845	50	0		IFAARP
CC[N@@H+]1CCC[C@@H]1CN(CCC(=O)N1CC[NH2+]CC1)C(=O)c1ccc(C(C)(C)C)cc1	ZINC000045966760	556688698	/nfs/dbraw/zinc/68/86/98/556688698.db2.gz	YLYCTLOSBIRFDM-JOCHJYFZSA-N	2	0	428.621	2.733	50	0		IFAARP
O=C(c1nc2ccccn2c1C[N@H+]1CCC[C@@H](CO)C1)N1CC[NH+](C2CCCCC2)CC1	ZINC000019222125	556716094	/nfs/dbraw/zinc/71/60/94/556716094.db2.gz	AJIZJTVBUGMEIZ-HXUWFJFHSA-N	2	0	439.604	2.629	50	0		IFAARP
Cc1c(C(=O)NCCC[NH+]2CCC(C)CC2)sc2ncnc(N3CC[NH+](C)CC3)c12	ZINC000033048227	556744170	/nfs/dbraw/zinc/74/41/70/556744170.db2.gz	KCXXZDOAYPIHRD-UHFFFAOYSA-N	2	0	430.622	2.603	50	0		IFAARP
C[C@@H]1CN(Cc2c(C(=O)N3CC[NH+](C4CCCCC4)CC3)nc3ccccn32)CC[N@@H+]1C	ZINC000019636904	556835512	/nfs/dbraw/zinc/83/55/12/556835512.db2.gz	BALURPGPSSVQFE-HXUWFJFHSA-N	2	0	438.620	2.561	50	0		IFAARP
CC[NH+]1CCN(C[C@H](O)COc2ccc(C[NH2+]CCc3cccc(F)c3)cc2OC)CC1	ZINC000019770973	556913091	/nfs/dbraw/zinc/91/30/91/556913091.db2.gz	SYHOMYXMXPXXEA-QHCPKHFHSA-N	2	0	445.579	2.544	50	0		IFAARP
CC[NH+]1CCN(C[C@H](O)COc2ccc(C[NH2+]Cc3ccc(F)cc3)cc2OC)CC1	ZINC000020206162	556998284	/nfs/dbraw/zinc/99/82/84/556998284.db2.gz	XVADZTKMSXNUGA-QFIPXVFZSA-N	2	0	431.552	2.501	50	0		IFAARP
COc1ccc(C[NH2+]CCc2cnn(C)c2)cc1OC[C@H](O)C[N@H+](C)Cc1ccccc1	ZINC000023339482	557085524	/nfs/dbraw/zinc/08/55/24/557085524.db2.gz	DQBNKCOBUYZTIW-HSZRJFAPSA-N	2	0	438.572	2.633	50	0		IFAARP
Cc1ccccc1OC[C@H](O)C[NH2+]C1CCC([NH2+]C[C@H](O)COc2ccccc2C)CC1	ZINC000009509786	562972643	/nfs/dbraw/zinc/97/26/43/562972643.db2.gz	ADCIBYAOLKOWOK-ULBZPVTCSA-N	2	0	442.600	2.973	50	0		IFAARP
CC(=O)N1CCC[N@H+](Cc2ccccc2OC[C@@H](O)C[NH+]2CCc3ccccc3C2)CC1	ZINC000012716153	519529662	/nfs/dbraw/zinc/52/96/62/519529662.db2.gz	DZDQKNOKXJJBKY-VWLOTQADSA-N	2	0	437.584	2.539	50	0		IFAARP
CC[N@H+](Cc1ccccc1)Cc1ccc(OC)c(OC[C@H](O)CN2CC[NH+](C)CC2)c1	ZINC000020599138	521370971	/nfs/dbraw/zinc/37/09/71/521370971.db2.gz	OHJSXZSTPVUEED-HSZRJFAPSA-N	2	0	427.589	2.704	50	0		IFAARP
COc1cc(C[NH2+]CCc2nc3c(c(C)n2)CCC3)ccc1OC[C@@H](O)C[N@H+](C)C(C)C	ZINC000012588355	522455120	/nfs/dbraw/zinc/45/51/20/522455120.db2.gz	VSTNILBDRXZJMW-FQEVSTJZSA-N	2	0	442.604	2.695	50	0		IFAARP
Cc1ccc2c(c1)NC(=O)[C@H](CC(=O)NCCCN1CCC([NH+]3CCCCC3)CC1)O2	ZINC000005069933	556630263	/nfs/dbraw/zinc/63/02/63/556630263.db2.gz	CNRHAMDPZGOKAG-QFIPXVFZSA-N	2	0	428.577	2.541	50	0		IFAARP
CC[NH+]1CCN(C[C@H](O)COc2cccc(C[NH2+]CCCc3scnc3C)c2)CC1	ZINC000019224693	556716619	/nfs/dbraw/zinc/71/66/19/556716619.db2.gz	MOKVIXGWJZQHNS-NRFANRHFSA-N	2	0	432.634	2.551	50	0		IFAARP
CC[NH+]1CCN(C[C@H](O)COc2ccc(C[NH2+]Cc3cccc(F)c3)cc2OC)CC1	ZINC000019741579	556884146	/nfs/dbraw/zinc/88/41/46/556884146.db2.gz	UNEMSWZRUHIWCH-QFIPXVFZSA-N	2	0	431.552	2.501	50	0		IFAARP
Cc1cc(N2CCN(C)CC2)nc(N2CCN(C(=O)Nc3ccc(Cl)cc3)CC2)[nH+]1	ZINC000015825169	568840503	/nfs/dbraw/zinc/84/05/03/568840503.db2.gz	NIHUBAJHLHGSNI-UHFFFAOYSA-N	2	0	429.956	2.544	50	0		IFAARP
COc1ccc(CN(C)CCC[NH+](C)C)cc1OC[C@H](O)C[N@H+](C)Cc1ccccc1	ZINC000055073868	569286101	/nfs/dbraw/zinc/28/61/01/569286101.db2.gz	IEHREFGSWHCIKG-HSZRJFAPSA-N	2	0	429.605	2.950	50	0		IFAARP
CC[NH+](CC)C[C@H](O)COc1ccc(C[NH2+]Cc2ccc(C(=O)OC)cc2)cc1OC	ZINC000012112348	520738163	/nfs/dbraw/zinc/73/81/63/520738163.db2.gz	GPFRVSPRDHPVJD-NRFANRHFSA-N	2	0	430.545	2.853	50	0		IFAARP
CC[NH+]1CCN(C[C@@H](O)COc2ccc(C[NH2+]CCc3ccccc3C)cc2OC)CC1	ZINC000020601192	521685178	/nfs/dbraw/zinc/68/51/78/521685178.db2.gz	CJXIMHLMYRFRQZ-XMMPIXPASA-N	2	0	441.616	2.713	50	0		IFAARP
CC[NH+]1CCN(Cc2ccc(OC)c(OC[C@@H](O)C[N@H+](C)Cc3ccccc3)c2)CC1	ZINC000020536394	521689356	/nfs/dbraw/zinc/68/93/56/521689356.db2.gz	DSODQMIMHXMCIX-QHCPKHFHSA-N	2	0	427.589	2.704	50	0		IFAARP
COc1cc(C[NH2+]Cc2cccc(Cl)c2)ccc1OC[C@H](O)C[NH+]1CCC(O)CC1	ZINC000012580467	522467153	/nfs/dbraw/zinc/46/71/53/522467153.db2.gz	FKIDTFMHYYBSCD-OAQYLSRUSA-N	2	0	434.964	2.835	50	0		IFAARP
COc1ccc(C[N@H+](C)CCc2cn[nH]c2)cc1OC[C@@H](O)C[NH+](C)Cc1ccccc1	ZINC000012718992	524003949	/nfs/dbraw/zinc/00/39/49/524003949.db2.gz	OYGMAXVDESXENU-QHCPKHFHSA-N	2	0	438.572	2.965	50	0		IFAARP
COc1ccccc1C[N@@H+]1CCC[C@H](CN(CC[NH+](C)C)C(=O)CCn2nccc2C)C1	ZINC000012432580	524449894	/nfs/dbraw/zinc/44/98/94/524449894.db2.gz	FXTCDPRUQIMQKK-QFIPXVFZSA-N	2	0	441.620	2.893	50	0		IFAARP
COc1ccc(C[NH+]2CCC(C[NH2+][C@H]3CC(=O)N(c4ccc(F)cc4)C3=O)CC2)cc1	ZINC000004772622	556011128	/nfs/dbraw/zinc/01/11/28/556011128.db2.gz	IAGJDOICEJZWKJ-QFIPXVFZSA-N	2	0	425.504	2.968	50	0		IFAARP
C[NH+](C)CCN(C[C@@H]1CCC[N@H+](Cc2ccccc2F)C1)C(=O)c1n[nH]c2c1CCC2	ZINC000011936711	556378859	/nfs/dbraw/zinc/37/88/59/556378859.db2.gz	ZKVTXUAVHQQRMM-GOSISDBHSA-N	2	0	427.568	2.954	50	0		IFAARP
COc1cc(C[N@H+](C)Cc2ccc3nonc3c2)ccc1OC[C@H](O)C[NH+](C)C(C)C	ZINC000012054620	556393496	/nfs/dbraw/zinc/39/34/96/556393496.db2.gz	ZZKHXALLYALYOS-LJQANCHMSA-N	2	0	428.533	2.943	50	0		IFAARP
CCN1C(=O)N(CC[NH+](C)C)C(=O)C12CC[NH+]([C@H](C)CCc1ccc(OC)cc1)CC2	ZINC000014741293	556438791	/nfs/dbraw/zinc/43/87/91/556438791.db2.gz	JVJYJIDCTUJAST-LJQANCHMSA-N	2	0	430.593	2.697	50	0		IFAARP
COC(=O)C1CC[NH+](C[C@H](O)COc2ccc(C[NH2+]Cc3ccc(F)cc3)cc2)CC1	ZINC000015069604	556494623	/nfs/dbraw/zinc/49/46/23/556494623.db2.gz	WBHXUVBMBGNQBK-QFIPXVFZSA-N	2	0	430.520	2.740	50	0		IFAARP
Cc1c(C(=O)NCC[N@@H+](C)Cc2ccccc2)sc2ncnc(N3CC[NH+](C)CC3)c12	ZINC000033048268	556744265	/nfs/dbraw/zinc/74/42/65/556744265.db2.gz	PCBAELGTGLARBN-UHFFFAOYSA-N	2	0	438.601	2.613	50	0		IFAARP
Cc1c(C(=O)NCC[N@@H+](C)C2CCCCC2)sc2ncnc(N3CC[NH+](C)CC3)c12	ZINC000033048288	556744337	/nfs/dbraw/zinc/74/43/37/556744337.db2.gz	SIRHWODJWAANDP-UHFFFAOYSA-N	2	0	430.622	2.746	50	0		IFAARP
CCCC[N@H+](CC)CCCNC(=O)c1sc2ncnc(N3CC[NH+](C)CC3)c2c1C	ZINC000033048259	556744451	/nfs/dbraw/zinc/74/44/51/556744451.db2.gz	KMDMOXKJZIGOMN-UHFFFAOYSA-N	2	0	432.638	2.993	50	0		IFAARP
COc1ccccc1CC[NH2+]Cc1c(C(=O)N2CCC[N@H+](C)CC2)nc2sccn12	ZINC000011664465	557278163	/nfs/dbraw/zinc/27/81/63/557278163.db2.gz	KQTLVHUVCHKGEM-UHFFFAOYSA-N	2	0	427.574	2.514	50	0		IFAARP
COc1ccc(-c2n[nH]cc2C[NH+]2CCC3(C[C@@H]3C(=O)N3CCC[N@H+](C)CC3)CC2)cc1	ZINC000299785341	568757398	/nfs/dbraw/zinc/75/73/98/568757398.db2.gz	XZZZPFVGOVFFOZ-JOCHJYFZSA-N	2	0	437.588	2.852	50	0		IFAARP
Cc1cc(N2CCN(C)CC2)nc(N2CCN(C(=O)Nc3cccc(Cl)c3)CC2)[nH+]1	ZINC000015825173	568840533	/nfs/dbraw/zinc/84/05/33/568840533.db2.gz	YTROJFIAWIUFAP-UHFFFAOYSA-N	2	0	429.956	2.544	50	0		IFAARP
Cn1cc(CC[N@H+](C)Cc2cccc(OC[C@H](O)C[NH+]3CCc4ccccc4C3)c2)cn1	ZINC000019219455	569316634	/nfs/dbraw/zinc/31/66/34/569316634.db2.gz	YNRAXCTXRJQRME-RUZDIDTESA-N	2	0	434.584	2.893	50	0		IFAARP
CC(C)[NH+]1CCC(N2CC[N@H+](Cc3cn(C)nc3-c3ccccc3)C[C@@H]2CCO)CC1	ZINC000020598647	519670066	/nfs/dbraw/zinc/67/00/66/519670066.db2.gz	LAGQPGVOIFPQRN-DEOSSOPVSA-N	2	0	425.621	2.829	50	0		IFAARP
CC[NH+]1CCN(C[C@@H](O)COc2ccc(C[NH2+]Cc3ccccc3F)cc2OC)CC1	ZINC000020452850	521684649	/nfs/dbraw/zinc/68/46/49/521684649.db2.gz	SEJNYRYHFKKOGN-OAQYLSRUSA-N	2	0	431.552	2.501	50	0		IFAARP
COc1cc(C[NH2+]CCCN2CCCC2=O)ccc1OC[C@H](O)C[N@H+](C)C1CCCCC1	ZINC000012718382	522447118	/nfs/dbraw/zinc/44/71/18/522447118.db2.gz	HSHSTRRFBKCGHO-JOCHJYFZSA-N	2	0	447.620	2.802	50	0		IFAARP
COc1cc(C[NH2+]CCCN2CCOCC2)ccc1OC[C@H](O)C[N@H+](C)C1CCCCC1	ZINC000012704576	522448563	/nfs/dbraw/zinc/44/85/63/522448563.db2.gz	ZGPRANIPTWEGOJ-HSZRJFAPSA-N	2	0	449.636	2.511	50	0		IFAARP
COc1cc(C[NH2+]CCc2cnccn2)ccc1OC[C@H](O)C[N@H+](C)C1CCCCC1	ZINC000012594102	522456142	/nfs/dbraw/zinc/45/61/42/522456142.db2.gz	CTFCVCCVGKRRCW-JOCHJYFZSA-N	2	0	428.577	2.822	50	0		IFAARP
COc1ccc(C[N@H+](C)CCn2nc(C)cc2C)cc1OC[C@H](O)C[NH+]1CCCCC1	ZINC000012836196	524004716	/nfs/dbraw/zinc/00/47/16/524004716.db2.gz	SMAWQUTWWUTXFA-JOCHJYFZSA-N	2	0	430.593	2.866	50	0		IFAARP
COc1ccc(C[NH2+]Cc2ccc(F)c(F)c2)cc1OC[C@@H](O)CN1CCC[N@H+](C)CC1	ZINC000022913036	524072636	/nfs/dbraw/zinc/07/26/36/524072636.db2.gz	HSNAOYLGXQTMBQ-FQEVSTJZSA-N	2	0	449.542	2.640	50	0		IFAARP
COc1ccc(C[NH2+]Cc2ccc3nonc3c2)cc1OC[C@H](O)C[NH+]1CCCCC1	ZINC000012226519	524072666	/nfs/dbraw/zinc/07/26/66/524072666.db2.gz	OUTSROYJPKPMPU-LJQANCHMSA-N	2	0	426.517	2.747	50	0		IFAARP
Cc1cccc(CN2CCC([NH+]3CCC(C(=O)NCC[C@@H]4CCC[N@H+]4C)CC3)CC2)n1	ZINC000020905895	524387386	/nfs/dbraw/zinc/38/73/86/524387386.db2.gz	NCEUUANALUCZTM-QHCPKHFHSA-N	2	0	427.637	2.667	50	0		IFAARP
COc1ccc(OC[C@H](O)C[NH+]2CCC(O)CC2)c(C[NH2+]CCc2ccccc2C)c1	ZINC000012714518	524971934	/nfs/dbraw/zinc/97/19/34/524971934.db2.gz	YRIKCBZFGBBPHC-HSZRJFAPSA-N	2	0	428.573	2.532	50	0		IFAARP
COC(=O)C1CC[NH+](C[C@@H](O)COc2ccc(C[NH2+]Cc3cccc(C)c3)cc2)CC1	ZINC000012058082	556394796	/nfs/dbraw/zinc/39/47/96/556394796.db2.gz	NNMBOJWKOHSTOR-HSZRJFAPSA-N	2	0	426.557	2.910	50	0		IFAARP
CCC[NH+](CCC)CCCNC(=O)c1sc2ncnc(N3CC[NH+](C)CC3)c2c1C	ZINC000033048232	556744154	/nfs/dbraw/zinc/74/41/54/556744154.db2.gz	QOHVVLNHXFSJQM-UHFFFAOYSA-N	2	0	432.638	2.993	50	0		IFAARP
CCC[NH+]1CCN(c2ncnc3sc(C(=O)NCCC[NH+]4CCCC4)c(C)c32)CC1	ZINC000033048397	556745032	/nfs/dbraw/zinc/74/50/32/556745032.db2.gz	CPGWWBUCGWLKJE-UHFFFAOYSA-N	2	0	430.622	2.747	50	0		IFAARP
CC[NH+]1CCN(C[C@@H](O)COc2ccc(C[NH2+]Cc3cccc(F)c3)cc2OC)CC1	ZINC000019741577	556884159	/nfs/dbraw/zinc/88/41/59/556884159.db2.gz	UNEMSWZRUHIWCH-JOCHJYFZSA-N	2	0	431.552	2.501	50	0		IFAARP
COc1ccccc1N1CCC([N@@H+]2CCN(C3CC[NH+](C(C)C)CC3)[C@@H](CCO)C2)CC1	ZINC000019884635	556938326	/nfs/dbraw/zinc/93/83/26/556938326.db2.gz	HMLKNXUOYRMQSQ-DEOSSOPVSA-N	2	0	444.664	2.905	50	0		IFAARP
CCC[NH+]1CCC([NH2+][C@H]2C[C@@H](C(=O)NCCOC)N(Cc3ccc(Cl)cc3)C2)CC1	ZINC000023363146	557088035	/nfs/dbraw/zinc/08/80/35/557088035.db2.gz	WFXNHZPBHIIIJX-VXKWHMMOSA-N	2	0	437.028	2.510	50	0		IFAARP
Cc1cccc(CN2CCC([NH+]3CCC(C(=O)N(C)C[C@@H]4CCC[N@H+](C)C4)CC3)CC2)n1	ZINC000097436857	568619007	/nfs/dbraw/zinc/61/90/07/568619007.db2.gz	NZOPIXMXYYFDNV-JOCHJYFZSA-N	2	0	441.664	2.867	50	0		IFAARP
Cc1cccc(CN2CCC([NH+]3CCC(C(=O)N(C)C[C@H]4CCC[N@H+](C)C4)CC3)CC2)n1	ZINC000097436858	568619080	/nfs/dbraw/zinc/61/90/80/568619080.db2.gz	NZOPIXMXYYFDNV-QFIPXVFZSA-N	2	0	441.664	2.867	50	0		IFAARP
COc1ccc(-c2n[nH]cc2C[NH+]2CCC3(C[C@H]3C(=O)N3CCC[N@H+](C)CC3)CC2)cc1	ZINC000299785343	568757542	/nfs/dbraw/zinc/75/75/42/568757542.db2.gz	XZZZPFVGOVFFOZ-QFIPXVFZSA-N	2	0	437.588	2.852	50	0		IFAARP
COc1ccc2c(c1)C[C@@H](NC(=O)NCCCN1CCC([NH+]3CCCCC3)CC1)CO2	ZINC000015820942	568839817	/nfs/dbraw/zinc/83/98/17/568839817.db2.gz	CVWHRYDRKSWEHQ-HXUWFJFHSA-N	2	0	430.593	2.638	50	0		IFAARP
CC[NH+](CC)CCCN1CN(CCC[NH+](CC)CC)CN(CCC[NH+](CC)CC)C1	ZINC000019325194	569318330	/nfs/dbraw/zinc/31/83/30/569318330.db2.gz	DHNFAYOYUNLVTB-UHFFFAOYSA-N	3	0	426.738	2.974	50	0		IFAARP
C[C@H]1CN(C(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)CCN1C1CC[NH+](C)CC1	ZINC000095982988	569377924	/nfs/dbraw/zinc/37/79/24/569377924.db2.gz	NVHSHPVZCGDZSB-FQEVSTJZSA-N	2	0	445.677	2.910	50	0		IFAARP
CC[NH+]1CCN(C[C@H](O)COc2ccc(C[NH2+]Cc3ccccc3F)cc2OC)CC1	ZINC000020452852	521687371	/nfs/dbraw/zinc/68/73/71/521687371.db2.gz	SEJNYRYHFKKOGN-NRFANRHFSA-N	2	0	431.552	2.501	50	0		IFAARP
COc1cc(C[NH2+]Cc2ccc(Cl)s2)ccc1OC[C@H](O)C[NH+]1CCC(O)CC1	ZINC000012197292	522464810	/nfs/dbraw/zinc/46/48/10/522464810.db2.gz	VQRFAZPYJDLBTF-QGZVFWFLSA-N	2	0	440.993	2.896	50	0		IFAARP
C[NH+](C)CCCN(CC1CC[NH+](C2Cc3ccccc3C2)CC1)C(=O)CCn1cccn1	ZINC000012587212	524053459	/nfs/dbraw/zinc/05/34/59/524053459.db2.gz	DTJNCAJQSNHXED-UHFFFAOYSA-N	2	0	437.632	2.933	50	0		IFAARP
COc1ccc(C[NH2+]Cc2ccc3nonc3c2)cc1OC[C@@H](O)C[NH+]1CCCCC1	ZINC000012226508	524072885	/nfs/dbraw/zinc/07/28/85/524072885.db2.gz	OUTSROYJPKPMPU-IBGZPJMESA-N	2	0	426.517	2.747	50	0		IFAARP
COc1ccc(C[NH2+]Cc2ccc(F)c(F)c2)cc1OC[C@H](O)CN1CCC[N@H+](C)CC1	ZINC000022913042	524072897	/nfs/dbraw/zinc/07/28/97/524072897.db2.gz	HSNAOYLGXQTMBQ-HXUWFJFHSA-N	2	0	449.542	2.640	50	0		IFAARP
COc1ccccc1C[N@@H+]1CCC[C@@H](CN(CC[NH+](C)C)C(=O)CCn2nccc2C)C1	ZINC000012432579	524449383	/nfs/dbraw/zinc/44/93/83/524449383.db2.gz	FXTCDPRUQIMQKK-JOCHJYFZSA-N	2	0	441.620	2.893	50	0		IFAARP
O=C(CCN(C(=O)c1ccccc1)C1CC[NH+](Cc2ccccc2)CC1)N1CC[NH2+]CC1	ZINC000035421919	526473395	/nfs/dbraw/zinc/47/33/95/526473395.db2.gz	ZNLJAILNZYWAGV-UHFFFAOYSA-N	2	0	434.584	2.615	50	0		IFAARP
COc1cc(C[NH2+]C23CC4CC(CC(C4)C2)C3)ccc1OC[C@@H](O)C[NH+]1CCC(O)CC1	ZINC000011843281	556366708	/nfs/dbraw/zinc/36/67/08/556366708.db2.gz	QWEXUSHHOWMULO-GKWUYRECSA-N	2	0	444.616	2.950	50	0		IFAARP
COc1ccccc1C[N@@H+]1CCC[C@@H](CN(CC[NH+](C)C)C(=O)CCn2cccn2)C1	ZINC000012056999	556394456	/nfs/dbraw/zinc/39/44/56/556394456.db2.gz	QSEKVDIDWGHAKC-OAQYLSRUSA-N	2	0	427.593	2.584	50	0		IFAARP
CCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCCCCCC[NH2+]CCCC[NH3+]	ZINC000013492674	556508512	/nfs/dbraw/zinc/50/85/12/556508512.db2.gz	YKCMCIWNASWOOP-QFIPXVFZSA-N	2	0	434.625	2.615	50	0	in-vitro	IFAARP
COc1ccc(C[NH+]2CCC(C[NH2+][C@@H]3CC(=O)N(c4ccc(F)cc4)C3=O)CC2)cc1	ZINC000018218006	556687439	/nfs/dbraw/zinc/68/74/39/556687439.db2.gz	IAGJDOICEJZWKJ-JOCHJYFZSA-N	2	0	425.504	2.968	50	0		IFAARP
Cc1c(C(=O)N2CCC([N@@H+](C)C(C)C)CC2)sc2ncnc(N3CC[NH+](C)CC3)c12	ZINC000033048306	556744301	/nfs/dbraw/zinc/74/43/01/556744301.db2.gz	HYVDUWIMRPTZCH-UHFFFAOYSA-N	2	0	430.622	2.696	50	0		IFAARP
CC[NH+](CC)CC1CC[NH+]([C@H](C)C(=O)NCC(=O)Nc2ccc(F)c(F)c2F)CC1	ZINC000058296922	556778395	/nfs/dbraw/zinc/77/83/95/556778395.db2.gz	LETBIPJPVKUOEO-CQSZACIVSA-N	2	0	428.499	2.601	50	0		IFAARP
Cc1nc(CC[NH2+]Cc2c(C(=O)N3CCC[N@@H+](C)CC3)nc3sccn23)sc1C	ZINC000019635018	556834700	/nfs/dbraw/zinc/83/47/00/556834700.db2.gz	VCVDSXCPKJNTOF-UHFFFAOYSA-N	2	0	432.619	2.579	50	0		IFAARP
O=C(NCCC[NH+]1CCN(c2ccc(F)cc2)CC1)[C@H]1CCCN(c2cc[nH+]cc2)C1	ZINC000033128876	556865969	/nfs/dbraw/zinc/86/59/69/556865969.db2.gz	NAWKGNYKJBIAIU-FQEVSTJZSA-N	2	0	425.552	2.766	50	0		IFAARP
COc1ccc(C[NH2+]CCc2cnn(C)c2)cc1OC[C@@H](O)C[N@H+](C)Cc1ccccc1	ZINC000023339480	557085722	/nfs/dbraw/zinc/08/57/22/557085722.db2.gz	DQBNKCOBUYZTIW-QHCPKHFHSA-N	2	0	438.572	2.633	50	0		IFAARP
C[NH+](C)C[C@@H](O)COc1ccc(C(C)(C)c2ccc(OC[C@@H](O)C[NH+](C)C)cc2)cc1	ZINC000001288616	562921093	/nfs/dbraw/zinc/92/10/93/562921093.db2.gz	JAASKQSZJDOJLJ-SZPZYZBQSA-N	2	0	430.589	2.615	50	0		IFAARP
CC1=C(C(=O)N(CCC[NH+](C)C)CC2CC[NH+](C3Cc4ccccc4C3)CC2)OCCO1	ZINC000012709224	520791335	/nfs/dbraw/zinc/79/13/35/520791335.db2.gz	COMKXFZXJZYBOF-UHFFFAOYSA-N	2	0	441.616	2.924	50	0		IFAARP
CC[N@@H+]1CCC[C@@H]1CN(CC1CC[NH+](CCOC)CC1)C(=O)Cc1ccccc1OC	ZINC000012314388	521632675	/nfs/dbraw/zinc/63/26/75/521632675.db2.gz	DHRJOWZAHBWWSJ-HSZRJFAPSA-N	2	0	431.621	2.909	50	0		IFAARP
CC[NH+]1CCN(C[C@@H](O)COc2ccc(C[NH2+]Cc3ccc(F)c(F)c3)cc2OC)CC1	ZINC000022918898	521684529	/nfs/dbraw/zinc/68/45/29/521684529.db2.gz	BFKRXPCNAJIDOG-HXUWFJFHSA-N	2	0	449.542	2.640	50	0		IFAARP
COC(=O)C1CC[NH+](C[C@@H](O)COc2ccc(C[NH2+]CCc3ccccc3)cc2)CC1	ZINC000012835381	522917083	/nfs/dbraw/zinc/91/70/83/522917083.db2.gz	NJFYINIUYJUJSA-HSZRJFAPSA-N	2	0	426.557	2.644	50	0		IFAARP
Cn1cc(CC[N@H+](C)Cc2ccccc2OC[C@H](O)C[NH+]2CCc3ccccc3C2)cn1	ZINC000020541311	522985819	/nfs/dbraw/zinc/98/58/19/522985819.db2.gz	NICZQQRMYXZQRF-RUZDIDTESA-N	2	0	434.584	2.893	50	0		IFAARP
COC(=O)CC[C@@H](C)[NH+]1CCC(Oc2ccc(C(=O)NCC[NH+](C)C)cc2Cl)CC1	ZINC000012712602	523109435	/nfs/dbraw/zinc/10/94/35/523109435.db2.gz	MMXHDIFUPOWSJI-MRXNPFEDSA-N	2	0	439.984	2.816	50	0		IFAARP
Cn1cc(C[N@H+](C)Cc2ccc(OC3CCN(C(=O)C4CC[NH+](C)CC4)CC3)cc2)cn1	ZINC000012454818	523514153	/nfs/dbraw/zinc/51/41/53/523514153.db2.gz	QNIUFPFXKIEFFG-UHFFFAOYSA-N	2	0	439.604	2.764	50	0		IFAARP
C[NH+](C)CCCN(CC1CC[NH+](C2Cc3ccccc3C2)CC1)C(=O)[C@H]1CCC[N@H+](C)C1	ZINC000012201029	524053411	/nfs/dbraw/zinc/05/34/11/524053411.db2.gz	HOOILTKWHQAEJZ-VWLOTQADSA-N	3	0	440.676	2.988	50	0		IFAARP
COc1ccc(C[NH2+]CCc2cnccn2)cc1OC[C@H](O)C[NH+]1CCCCCCC1	ZINC000012711540	524071040	/nfs/dbraw/zinc/07/10/40/524071040.db2.gz	TXNKDMJBQCFCHQ-JOCHJYFZSA-N	2	0	428.577	2.823	50	0		IFAARP
COc1ccccc1C[N@@H+]1CCC[C@H](CN(CC[NH+](C)C)C(=O)C(=O)c2ccco2)C1	ZINC000012585077	524448918	/nfs/dbraw/zinc/44/89/18/524448918.db2.gz	JWAQVEQNJQXDRD-IBGZPJMESA-N	2	0	427.545	2.773	50	0		IFAARP
COc1ccc(OC[C@H](O)C[NH+]2CCC(O)CC2)c(C[NH2+]C2(c3ccccc3)CC2)c1	ZINC000012386672	524972107	/nfs/dbraw/zinc/97/21/07/524972107.db2.gz	BIRUAVNBOGNHHB-JOCHJYFZSA-N	2	0	426.557	2.671	50	0		IFAARP
Cc1ccc(C(=O)N(CC(=O)N2CC[NH2+]CC2)C2CC[NH+](Cc3ccccc3)CC2)cc1	ZINC000021535062	526069873	/nfs/dbraw/zinc/06/98/73/526069873.db2.gz	WMOQPSMDLGYCAI-UHFFFAOYSA-N	2	0	434.584	2.534	50	0		IFAARP
Oc1ccc(N2CC[NH+](Cc3ccc(OC[C@H](O)C[NH+]4CCCCC4)cc3)CC2)cc1	ZINC000012441811	526351134	/nfs/dbraw/zinc/35/11/34/526351134.db2.gz	AZGHXIJECIWEPV-XMMPIXPASA-N	2	0	425.573	2.940	50	0		IFAARP
O=C(NCC[NH+]1CCCCC1)C1CC[NH+](C2CCN(C(=O)c3cccc(F)c3)CC2)CC1	ZINC000034912387	555934141	/nfs/dbraw/zinc/93/41/41/555934141.db2.gz	YQBQXRAGPHSHSJ-UHFFFAOYSA-N	2	0	444.595	2.744	50	0		IFAARP
COc1cc(C[NH2+]Cc2cc(F)ccc2C)ccc1OC[C@@H](O)C[NH+]1CCC(O)CC1	ZINC000011774144	556350705	/nfs/dbraw/zinc/35/07/05/556350705.db2.gz	ULGQKIWZCPLZAS-QFIPXVFZSA-N	2	0	432.536	2.629	50	0		IFAARP
COc1cc(C[N@H+](C)Cc2ccc3nonc3c2)ccc1OC[C@@H](O)C[NH+](C)C(C)C	ZINC000012054617	556393542	/nfs/dbraw/zinc/39/35/42/556393542.db2.gz	ZZKHXALLYALYOS-IBGZPJMESA-N	2	0	428.533	2.943	50	0		IFAARP
COc1ccccc1C[N@@H+]1CCC[C@H](CN(CC[NH+](C)C)C(=O)CCn2cccn2)C1	ZINC000012057000	556394504	/nfs/dbraw/zinc/39/45/04/556394504.db2.gz	QSEKVDIDWGHAKC-NRFANRHFSA-N	2	0	427.593	2.584	50	0		IFAARP
CN(C[C@@H]1COCCO1)C(=O)C1CC[NH+](C2CC[NH+](CCCc3ccccc3)CC2)CC1	ZINC000012075637	556397421	/nfs/dbraw/zinc/39/74/21/556397421.db2.gz	OWQSQBVDOOEHTD-RUZDIDTESA-N	2	0	443.632	2.669	50	0		IFAARP
CC(C)CCN1C(=O)N(CC[NH+](C)C)C(=O)C12CC[NH+](C1Cc3ccccc3C1)CC2	ZINC000014536255	556423436	/nfs/dbraw/zinc/42/34/36/556423436.db2.gz	WPAVQMQAWGEBFA-UHFFFAOYSA-N	2	0	426.605	2.860	50	0		IFAARP
C[NH+](C)CCNC(=O)[C@H]1C[C@@H](C(=O)Nc2ccc(F)cc2)C[N@H+](Cc2ccccc2)C1	ZINC000014747068	556441423	/nfs/dbraw/zinc/44/14/23/556441423.db2.gz	MZGCPPJLCDHXSP-VQTJNVASSA-N	2	0	426.536	2.580	50	0		IFAARP
COC(=O)C1CC[NH+](C[C@@H](O)COc2ccc(C[NH2+]Cc3ccc(F)cc3)cc2)CC1	ZINC000015069602	556494593	/nfs/dbraw/zinc/49/45/93/556494593.db2.gz	WBHXUVBMBGNQBK-JOCHJYFZSA-N	2	0	430.520	2.740	50	0		IFAARP
Cc1ccc2c(c1)NC(=O)[C@@H](CC(=O)NCCCN1CCC([NH+]3CCCCC3)CC1)O2	ZINC000005069934	556630115	/nfs/dbraw/zinc/63/01/15/556630115.db2.gz	CNRHAMDPZGOKAG-JOCHJYFZSA-N	2	0	428.577	2.541	50	0		IFAARP
COc1ccc(CN2CC[NH+](C3CCCC3)CC2)cc1OC[C@H](O)C[NH+]1CCCCC1	ZINC000019758572	556902276	/nfs/dbraw/zinc/90/22/76/556902276.db2.gz	HOBXLVHHLJHHCO-HSZRJFAPSA-N	2	0	431.621	2.981	50	0		IFAARP
COc1ccc(CN2CC[NH+](C3CCCC3)CC2)cc1OC[C@@H](O)C[NH+]1CCCCC1	ZINC000019758569	556902385	/nfs/dbraw/zinc/90/23/85/556902385.db2.gz	HOBXLVHHLJHHCO-QHCPKHFHSA-N	2	0	431.621	2.981	50	0		IFAARP
Cc1cccc[n+]1[C@@H]1[C@@H](c2ccc([N+](=O)[O-])cc2)C(C#N)=C(C(C#N)=C=[NH2+])N[C@@]1(O)C1CC1	ZINC000033385429	557295440	/nfs/dbraw/zinc/29/54/40/557295440.db2.gz	XYKRUTFELYKHCC-QPTUXGOLSA-N	2	0	441.471	2.694	50	0		IFAARP
C[NH+](C)C[C@@H](O)COc1ccc(C(C)(C)c2ccc(OC[C@H](O)C[NH+](C)C)cc2)cc1	ZINC000001288615	562921100	/nfs/dbraw/zinc/92/11/00/562921100.db2.gz	JAASKQSZJDOJLJ-FGZHOGPDSA-N	2	0	430.589	2.615	50	0		IFAARP
C[C@@H]1CN(C(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)CCN1C1CC[NH+](C)CC1	ZINC000095982987	569377877	/nfs/dbraw/zinc/37/78/77/569377877.db2.gz	NVHSHPVZCGDZSB-HXUWFJFHSA-N	2	0	445.677	2.910	50	0		IFAARP
CCCCOc1ccc(C(=O)N(CCC(=O)N2CC[NH2+]CC2)CC[NH+]2CCCCC2)cc1	ZINC000035422052	520862853	/nfs/dbraw/zinc/86/28/53/520862853.db2.gz	IHJZPMNFLKEKDY-UHFFFAOYSA-N	2	0	444.620	2.616	50	0		IFAARP
CC[NH+]1CCN(Cc2c(C(=O)N3CC[NH+](C4CCCCC4)CC3)nc3ccccn32)CC1	ZINC000020997469	521686981	/nfs/dbraw/zinc/68/69/81/521686981.db2.gz	BJCQAHUPEUKHFX-UHFFFAOYSA-N	2	0	438.620	2.562	50	0		IFAARP
COc1cc(C[NH2+]CCCN2CCOCC2)ccc1OC[C@@H](O)C[N@H+](C)C1CCCCC1	ZINC000012704569	522447948	/nfs/dbraw/zinc/44/79/48/522447948.db2.gz	ZGPRANIPTWEGOJ-QHCPKHFHSA-N	2	0	449.636	2.511	50	0		IFAARP
COc1cc(C[NH2+]CCc2ccc(F)cc2)ccc1OC[C@H](O)C[NH+]1CCSCC1	ZINC000012465282	522452996	/nfs/dbraw/zinc/45/29/96/522452996.db2.gz	ATRAQXCIXNMFEK-OAQYLSRUSA-N	2	0	434.577	2.955	50	0		IFAARP
C[NH+](C)CCCN(CC1CC[NH+](C2Cc3ccccc3C2)CC1)C(=O)[C@@H]1CCC[N@H+](C)C1	ZINC000012201023	524053501	/nfs/dbraw/zinc/05/35/01/524053501.db2.gz	HOOILTKWHQAEJZ-RUZDIDTESA-N	3	0	440.676	2.988	50	0		IFAARP
Cc1cccc(CN2CCC([NH+]3CCC(C(=O)NCC[C@H]4CCC[N@H+]4C)CC3)CC2)n1	ZINC000020905892	524386225	/nfs/dbraw/zinc/38/62/25/524386225.db2.gz	NCEUUANALUCZTM-HSZRJFAPSA-N	2	0	427.637	2.667	50	0		IFAARP
COc1ccccc1C[N@@H+]1CCC[C@@H](CN(CC[NH+](C)C)C(=O)C2=C(C)OCCO2)C1	ZINC000012594093	524448044	/nfs/dbraw/zinc/44/80/44/524448044.db2.gz	KBSHPOPFJGYKRQ-HXUWFJFHSA-N	2	0	431.577	2.576	50	0		IFAARP
Cc1cc(C)n(CC(=O)N(CC[NH+](C)C)C[C@H]2CCC[N@H+](Cc3ccccc3F)C2)n1	ZINC000012386260	524501577	/nfs/dbraw/zinc/50/15/77/524501577.db2.gz	YCZHCZHQLUGDBL-NRFANRHFSA-N	2	0	429.584	2.941	50	0		IFAARP
Oc1ccc(N2CC[NH+](Cc3ccc(OC[C@@H](O)C[NH+]4CCCCC4)cc3)CC2)cc1	ZINC000012441813	526350826	/nfs/dbraw/zinc/35/08/26/526350826.db2.gz	AZGHXIJECIWEPV-DEOSSOPVSA-N	2	0	425.573	2.940	50	0		IFAARP
COC(=O)C1CC[NH+](Cc2ccc(OC[C@H](O)C[N@H+](C)Cc3ccccc3)cc2)CC1	ZINC000012053017	556392792	/nfs/dbraw/zinc/39/27/92/556392792.db2.gz	OEVIGGXVUBRPLC-HSZRJFAPSA-N	2	0	426.557	2.943	50	0		IFAARP
CC[C@H](C)[NH+]1CCC2(CC1)C(=O)N(CC[NH+](C)C)C(=O)N2CCc1ccc(OC)cc1	ZINC000014533228	556421957	/nfs/dbraw/zinc/42/19/57/556421957.db2.gz	ZEBQXZBDJDWQLU-IBGZPJMESA-N	2	0	430.593	2.697	50	0		IFAARP
COc1cc(C[NH2+]C2(c3ccccc3)CC2)ccc1OC[C@@H](O)C[NH+]1CCC(O)CC1	ZINC000015072335	556497084	/nfs/dbraw/zinc/49/70/84/556497084.db2.gz	PKBGLZXFUOVXDA-QFIPXVFZSA-N	2	0	426.557	2.671	50	0		IFAARP
COC(=O)c1ccc(N2C(=O)C[C@@H]([NH2+]CC3CC[NH+](Cc4cccs4)CC3)C2=O)cc1	ZINC000018220156	556687549	/nfs/dbraw/zinc/68/75/49/556687549.db2.gz	ZTJHDDTUFVYKCV-HXUWFJFHSA-N	2	0	441.553	2.668	50	0		IFAARP
C[N@@H+]1CCCN(C(=O)c2nc3sccn3c2C[NH2+]C[C@H]2OCCc3ccccc32)CC1	ZINC000020211385	556998663	/nfs/dbraw/zinc/99/86/63/556998663.db2.gz	PECNFCSSJSAMGW-HXUWFJFHSA-N	2	0	439.585	2.577	50	0		IFAARP
COc1ccc(C[NH2+]Cc2ccc(C)c(F)c2)cc1OC[C@@H](O)CN1CCC[N@H+](C)CC1	ZINC000023373102	557351759	/nfs/dbraw/zinc/35/17/59/557351759.db2.gz	SHSHEEHIFINXOD-QFIPXVFZSA-N	2	0	445.579	2.810	50	0		IFAARP
CC(C)[NH+]1CCC(N2CCN(Cc3c[nH]nc3-c3ccc(F)cc3)C[C@H]2CCO)CC1	ZINC000104645267	568837035	/nfs/dbraw/zinc/83/70/35/568837035.db2.gz	CACBTUJUOPDWNL-HSZRJFAPSA-N	2	0	429.584	2.957	50	0		IFAARP
CC[NH+]1CCC(CC(=O)N2CCC3(CC2)C[C@@H]([NH+]2CCN(C(C)C)CC2)CCO3)CC1	ZINC000581819733	569211599	/nfs/dbraw/zinc/21/15/99/569211599.db2.gz	FRPPYVAVDDPURG-QHCPKHFHSA-N	2	0	434.669	2.675	50	0		IFAARP
COc1ccc(CN(C)CCC[NH+](C)C)cc1OC[C@@H](O)C[N@H+](C)Cc1ccccc1	ZINC000055073871	569286133	/nfs/dbraw/zinc/28/61/33/569286133.db2.gz	IEHREFGSWHCIKG-QHCPKHFHSA-N	2	0	429.605	2.950	50	0		IFAARP
CC[NH+](CC)C[C@@H](O)COc1ccc(C[NH2+]Cc2ccc(C(=O)OC)cc2)cc1OC	ZINC000012112347	520722634	/nfs/dbraw/zinc/72/26/34/520722634.db2.gz	GPFRVSPRDHPVJD-OAQYLSRUSA-N	2	0	430.545	2.853	50	0		IFAARP
CC[N@H+](Cc1ccccc1)Cc1ccc(OC)c(OC[C@@H](O)CN2CC[NH+](C)CC2)c1	ZINC000020599137	521370351	/nfs/dbraw/zinc/37/03/51/521370351.db2.gz	OHJSXZSTPVUEED-QHCPKHFHSA-N	2	0	427.589	2.704	50	0		IFAARP
COc1cc(C[NH2+]CCc2ccccc2C)ccc1OC[C@H](O)C[NH+]1CCC(O)CC1	ZINC000012385872	522455949	/nfs/dbraw/zinc/45/59/49/522455949.db2.gz	CURMYKMEBMAXHJ-HSZRJFAPSA-N	2	0	428.573	2.532	50	0		IFAARP
COC(=O)C1CC[NH+](C[C@@H](O)COc2ccc(C[N@H+](C)Cc3ccccc3)cc2)CC1	ZINC000012439343	522916037	/nfs/dbraw/zinc/91/60/37/522916037.db2.gz	LWUFDPUATYKFCD-HSZRJFAPSA-N	2	0	426.557	2.943	50	0		IFAARP
COc1ccc(C[N@H+](C)CCc2cn[nH]c2)cc1OC[C@H](O)C[NH+](C)Cc1ccccc1	ZINC000012718993	524004479	/nfs/dbraw/zinc/00/44/79/524004479.db2.gz	OYGMAXVDESXENU-HSZRJFAPSA-N	2	0	438.572	2.965	50	0		IFAARP
COc1ccc(C[N@H+](C)CCn2nc(C)cc2C)cc1OC[C@@H](O)C[NH+]1CCCCC1	ZINC000012836193	524004825	/nfs/dbraw/zinc/00/48/25/524004825.db2.gz	SMAWQUTWWUTXFA-QFIPXVFZSA-N	2	0	430.593	2.866	50	0		IFAARP
COc1ccc(C[NH2+]CCCOc2cccnc2)cc1OC[C@H](O)C[NH+]1CCCCC1	ZINC000012304008	524070164	/nfs/dbraw/zinc/07/01/64/524070164.db2.gz	CJXMBXBURNVITF-OAQYLSRUSA-N	2	0	429.561	2.875	50	0		IFAARP
COc1ccccc1C[N@@H+]1CCC[C@H](CN(CC[NH+](C)C)C(=O)C2=C(C)OCCO2)C1	ZINC000012594099	524449103	/nfs/dbraw/zinc/44/91/03/524449103.db2.gz	KBSHPOPFJGYKRQ-FQEVSTJZSA-N	2	0	431.577	2.576	50	0		IFAARP
COc1ccccc1C[N@@H+]1CCC[C@@H](CN(CC[NH+](C)C)C(=O)c2cc(C)n(C)n2)C1	ZINC000012708815	524449717	/nfs/dbraw/zinc/44/97/17/524449717.db2.gz	YZUUUJWTDPIOEX-HXUWFJFHSA-N	2	0	427.593	2.653	50	0		IFAARP
COc1ccc(OC[C@@H](O)C[NH+]2CCC(O)CC2)c(C[NH2+]C2(c3ccccc3)CC2)c1	ZINC000012386671	524968666	/nfs/dbraw/zinc/96/86/66/524968666.db2.gz	BIRUAVNBOGNHHB-QFIPXVFZSA-N	2	0	426.557	2.671	50	0		IFAARP
COc1cc(C[NH2+]Cc2cc(F)ccc2C)ccc1OC[C@H](O)C[NH+]1CCC(O)CC1	ZINC000011774139	556350570	/nfs/dbraw/zinc/35/05/70/556350570.db2.gz	ULGQKIWZCPLZAS-JOCHJYFZSA-N	2	0	432.536	2.629	50	0		IFAARP
COc1ccccc1C[N@@H+]1CCC[C@@H](CN(CC[NH+](C)C)C(=O)CCc2cnn(C)c2)C1	ZINC000011874002	556370374	/nfs/dbraw/zinc/37/03/74/556370374.db2.gz	UYKNJNRULGNVQO-JOCHJYFZSA-N	2	0	441.620	2.664	50	0		IFAARP
COc1ccc(CCN2C(=O)N(CC[NH+](C)C)C(=O)C23CC[NH+](CC(C)C)CC3)cc1	ZINC000014535274	556423113	/nfs/dbraw/zinc/42/31/13/556423113.db2.gz	VVFDEWMHNIGWIX-UHFFFAOYSA-N	2	0	430.593	2.554	50	0		IFAARP
C[NH+](C)CCCN1C(=O)N(CCc2ccccc2)C2(CC[NH+]([C@@H]3CCSC3)CC2)C1=O	ZINC000014748942	556442562	/nfs/dbraw/zinc/44/25/62/556442562.db2.gz	WACWFIHMQPBURD-OAQYLSRUSA-N	2	0	444.645	2.785	50	0		IFAARP
COc1ccc(C[N@H+](C)Cc2ccc(C)cc2)cc1OC[C@@H](O)CN1CC[NH+](C)CC1	ZINC000019223823	556716285	/nfs/dbraw/zinc/71/62/85/556716285.db2.gz	FMFWUPFIOPZQMB-QHCPKHFHSA-N	2	0	427.589	2.623	50	0		IFAARP
O[C@H](C[NH2+]Cc1ccccc1)COc1ccc(OC[C@H](O)C[NH2+]Cc2ccccc2)cc1	ZINC000013763986	556728893	/nfs/dbraw/zinc/72/88/93/556728893.db2.gz	SPDPKQTVSTWZBZ-DNQXCXABSA-N	2	0	436.552	2.746	50	0		IFAARP
Cc1c(C(=O)N2CCC([NH+]3CCCCC3)CC2)sc2ncnc(N3CC[NH+](C)CC3)c12	ZINC000033048247	556744540	/nfs/dbraw/zinc/74/45/40/556744540.db2.gz	OWWWZHJFGJRSAU-UHFFFAOYSA-N	2	0	442.633	2.842	50	0		IFAARP
C[C@H]1CN(Cc2c(C(=O)N3CC[NH+](C4CCCCC4)CC3)nc3ccccn32)CC[N@@H+]1C	ZINC000019636907	556835526	/nfs/dbraw/zinc/83/55/26/556835526.db2.gz	BALURPGPSSVQFE-FQEVSTJZSA-N	2	0	438.620	2.561	50	0		IFAARP
CC[NH+]1CCN(C[C@@H](O)COc2ccc(C[N@H+](C)CCc3ccccc3)cc2OC)CC1	ZINC000019741230	556882725	/nfs/dbraw/zinc/88/27/25/556882725.db2.gz	HQJRMAAGEQIJPA-XMMPIXPASA-N	2	0	441.616	2.747	50	0		IFAARP
COc1ccc(C[NH2+]CCCN2CCOCC2)cc1OC[C@H](O)C[NH+]1CCCCCCC1	ZINC000014948802	557141438	/nfs/dbraw/zinc/14/14/38/557141438.db2.gz	ACLYADCTBQAJSS-HSZRJFAPSA-N	2	0	449.636	2.513	50	0		IFAARP
O=C(NCCC[NH+]1CCN(c2ccc(F)cc2)CC1)C1CCN(c2cc[nH+]cc2)CC1	ZINC000033129025	557325031	/nfs/dbraw/zinc/32/50/31/557325031.db2.gz	SHHBXSHXEYVCHI-UHFFFAOYSA-N	2	0	425.552	2.766	50	0		IFAARP
C[NH+](C)C[C@H](O)COc1ccc(C(C)(C)c2ccc(OC[C@@H](O)C[NH+](C)C)cc2)cc1	ZINC000001288618	562921110	/nfs/dbraw/zinc/92/11/10/562921110.db2.gz	JAASKQSZJDOJLJ-VXKWHMMOSA-N	2	0	430.589	2.615	50	0		IFAARP
CC(C)(C)c1ccc(C(=O)N(CCC(=O)N2CC[NH2+]CC2)CC[NH+]2CCCCC2)cc1	ZINC000035422053	519012591	/nfs/dbraw/zinc/01/25/91/519012591.db2.gz	OLNZSAPJFWBPJH-UHFFFAOYSA-N	2	0	428.621	2.734	50	0		IFAARP
COc1cc(C[NH+]2CCC(CCNC(C)=O)CC2)ccc1OC[C@@H](O)C[N@H+](C)C(C)C	ZINC000012298695	522368026	/nfs/dbraw/zinc/36/80/26/522368026.db2.gz	CPCCQHKRKCDYOA-QFIPXVFZSA-N	2	0	435.609	2.513	50	0		IFAARP
COc1cc(C[NH2+]CCc2cccc(C)n2)ccc1OC[C@H](O)C[NH+]1CCSCC1	ZINC000012305557	522455261	/nfs/dbraw/zinc/45/52/61/522455261.db2.gz	KFXRSALAIUALFZ-OAQYLSRUSA-N	2	0	431.602	2.519	50	0		IFAARP
COc1cc(C[NH2+]CCc2cnccn2)ccc1OC[C@@H](O)C[N@H+](C)C1CCCCC1	ZINC000012594098	522456183	/nfs/dbraw/zinc/45/61/83/522456183.db2.gz	CTFCVCCVGKRRCW-QFIPXVFZSA-N	2	0	428.577	2.822	50	0		IFAARP
COc1cc(C[NH2+]CCc2ccccc2C)ccc1OC[C@@H](O)C[NH+]1CCC(O)CC1	ZINC000012385871	522456423	/nfs/dbraw/zinc/45/64/23/522456423.db2.gz	CURMYKMEBMAXHJ-QHCPKHFHSA-N	2	0	428.573	2.532	50	0		IFAARP
COc1cc(C[NH2+]Cc2cccc(Cl)c2)ccc1OC[C@@H](O)C[NH+]1CCC(O)CC1	ZINC000012580457	522466624	/nfs/dbraw/zinc/46/66/24/522466624.db2.gz	FKIDTFMHYYBSCD-NRFANRHFSA-N	2	0	434.964	2.835	50	0		IFAARP
COC(=O)C1CC[NH+](C[C@H](O)COc2ccc(C[NH2+]CCc3ccccc3)cc2)CC1	ZINC000012835384	522915303	/nfs/dbraw/zinc/91/53/03/522915303.db2.gz	NJFYINIUYJUJSA-QHCPKHFHSA-N	2	0	426.557	2.644	50	0		IFAARP
COC(=O)CCC(=O)N(CCC[NH+](C)C)CC1CC[NH+](C2Cc3ccccc3C2)CC1	ZINC000012298692	522941372	/nfs/dbraw/zinc/94/13/72/522941372.db2.gz	HOXRVXRQRZASPL-UHFFFAOYSA-N	2	0	429.605	2.599	50	0		IFAARP
Cn1cc(CC[N@H+](C)Cc2ccccc2OC[C@@H](O)C[NH+]2CCc3ccccc3C2)cn1	ZINC000020541308	522984168	/nfs/dbraw/zinc/98/41/68/522984168.db2.gz	NICZQQRMYXZQRF-VWLOTQADSA-N	2	0	434.584	2.893	50	0		IFAARP
COc1ccc(C[NH2+]CCc2cccc(Cl)c2)cc1OC[C@H](O)CN1CC[NH+](C)CC1	ZINC000020539447	524070800	/nfs/dbraw/zinc/07/08/00/524070800.db2.gz	KYICKYOTQGWMLK-JOCHJYFZSA-N	2	0	448.007	2.668	50	0		IFAARP
COc1ccc(C[NH2+]Cc2cc(F)cc(F)c2)cc1OC[C@@H](O)CN1CCC[N@H+](C)CC1	ZINC000022852409	524072747	/nfs/dbraw/zinc/07/27/47/524072747.db2.gz	KCUJRIPOACUEHD-QFIPXVFZSA-N	2	0	449.542	2.640	50	0		IFAARP
COc1cc(C[NH2+]CCCc2ccccc2)ccc1OC[C@@H](O)C[NH+]1CCC(O)CC1	ZINC000011880034	556372120	/nfs/dbraw/zinc/37/21/20/556372120.db2.gz	SVMIDUTXLNTSKV-QHCPKHFHSA-N	2	0	428.573	2.614	50	0		IFAARP
COC(=O)C1CC[NH+](C[C@H](O)COc2ccc(C[NH2+]Cc3cccc(C)c3)cc2)CC1	ZINC000012058084	556394953	/nfs/dbraw/zinc/39/49/53/556394953.db2.gz	NNMBOJWKOHSTOR-QHCPKHFHSA-N	2	0	426.557	2.910	50	0		IFAARP
COc1ccc(CCN2C(=O)N(CC[NH+](C)C)C(=O)C23CC[NH+](CC(C)(C)C)CC3)cc1	ZINC000014742496	556439443	/nfs/dbraw/zinc/43/94/43/556439443.db2.gz	INWWVOAVKPEDJU-UHFFFAOYSA-N	2	0	444.620	2.944	50	0		IFAARP
COc1cccc(C[NH+]2CCC3(CC2)C(=O)N(CC[NH+](C)C)C(=O)N3CCC(C)C)c1	ZINC000014744661	556440377	/nfs/dbraw/zinc/44/03/77/556440377.db2.gz	BBZYJSUNODQDFY-UHFFFAOYSA-N	2	0	430.593	2.902	50	0		IFAARP
COCc1ccc(C[NH+]2CCC3(CC2)C(=O)N(CC[NH+](C)C)C(=O)N3CCC(C)C)o1	ZINC000014747704	556441988	/nfs/dbraw/zinc/44/19/88/556441988.db2.gz	AYAPWQBTYRRIII-UHFFFAOYSA-N	2	0	434.581	2.633	50	0		IFAARP
C[NH+](C)CCNC(=O)[C@H]1C[C@@H](C(=O)Nc2ccc3c(c2)CCC3)C[N@H+](Cc2ccccc2)C1	ZINC000014749237	556442632	/nfs/dbraw/zinc/44/26/32/556442632.db2.gz	MRLAHQUFCRKXSG-BJKOFHAPSA-N	2	0	448.611	2.930	50	0		IFAARP
COc1ccccc1C[N@@H+]1CCC[C@@H](CN(CC[NH+](C)C)C(=O)C2CC[NH+](C)CC2)C1	ZINC000015064653	556492096	/nfs/dbraw/zinc/49/20/96/556492096.db2.gz	JCKRCDMWSSZEGE-OAQYLSRUSA-N	3	0	430.637	2.639	50	0		IFAARP
COc1ccccc1C[N@@H+]1CCC[C@H](CN(CC[NH+](C)C)C(=O)C2CC[NH+](C)CC2)C1	ZINC000015064654	556492158	/nfs/dbraw/zinc/49/21/58/556492158.db2.gz	JCKRCDMWSSZEGE-NRFANRHFSA-N	3	0	430.637	2.639	50	0		IFAARP
CC[N@@H+]1CCC[C@H]1CN(CCC(=O)N1CC[NH2+]CC1)C(=O)c1ccc(C(C)(C)C)cc1	ZINC000045966763	556689037	/nfs/dbraw/zinc/68/90/37/556689037.db2.gz	YLYCTLOSBIRFDM-QFIPXVFZSA-N	2	0	428.621	2.733	50	0		IFAARP
O[C@H](C[NH2+]Cc1ccccc1)COc1ccc(OC[C@@H](O)C[NH2+]Cc2ccccc2)cc1	ZINC000013763982	556728889	/nfs/dbraw/zinc/72/88/89/556728889.db2.gz	SPDPKQTVSTWZBZ-PSWAGMNNSA-N	2	0	436.552	2.746	50	0		IFAARP
Cc1c(C(=O)NCCC[N@H+]2CCCC[C@@H]2C)sc2ncnc(N3CC[NH+](C)CC3)c12	ZINC000033048296	556744494	/nfs/dbraw/zinc/74/44/94/556744494.db2.gz	LKKNXZLCYYIHNA-INIZCTEOSA-N	2	0	430.622	2.746	50	0		IFAARP
O[C@H](CCOc1ccccc1)C[NH2+]CCCCCC[NH2+]C[C@H](O)COc1ccccc1	ZINC000004686164	556878886	/nfs/dbraw/zinc/87/88/86/556878886.db2.gz	QRQXKWQQPIBTQJ-PKTZIBPZSA-N	2	0	430.589	2.996	50	0		IFAARP
O[C@H](CCOc1ccccc1)C[NH2+]CCCCCC[NH2+]C[C@@H](O)COc1ccccc1	ZINC000004686167	556879192	/nfs/dbraw/zinc/87/91/92/556879192.db2.gz	QRQXKWQQPIBTQJ-DHIUTWEWSA-N	2	0	430.589	2.996	50	0		IFAARP
CCC[NH+]1CCC(N2CCC([NH+]3CCC(C(=O)NCc4cccnc4)CC3)CC2)CC1	ZINC000020119072	556987416	/nfs/dbraw/zinc/98/74/16/556987416.db2.gz	QPIQEPNCLNOBEA-UHFFFAOYSA-N	2	0	427.637	2.749	50	0		IFAARP
COc1ccc(C[NH2+]CCCN2CCOCC2)cc1OC[C@@H](O)C[NH+]1CCCCCCC1	ZINC000014948797	557141317	/nfs/dbraw/zinc/14/13/17/557141317.db2.gz	ACLYADCTBQAJSS-QHCPKHFHSA-N	2	0	449.636	2.513	50	0		IFAARP
O=C(NCCC[NH+]1CCN(c2ccc(F)cc2)CC1)[C@@H]1CCCN(c2cc[nH+]cc2)C1	ZINC000033128875	557324889	/nfs/dbraw/zinc/32/48/89/557324889.db2.gz	NAWKGNYKJBIAIU-HXUWFJFHSA-N	2	0	425.552	2.766	50	0		IFAARP
CC(C)[NH+]1CCC(N2CCN(Cc3c[nH]nc3-c3cccc(F)c3)C[C@H]2CCO)CC1	ZINC000104633817	568837420	/nfs/dbraw/zinc/83/74/20/568837420.db2.gz	RDFIFFDQLWHNHH-HSZRJFAPSA-N	2	0	429.584	2.957	50	0		IFAARP
CCC[NH+]1CCC(N2CCC[C@H]([NH+]3CCN(Cc4ccc5c(c4)OCO5)CC3)C2)CC1	ZINC000020515917	519844629	/nfs/dbraw/zinc/84/46/29/519844629.db2.gz	CPQQJLPKLHVQFJ-QHCPKHFHSA-N	2	0	428.621	2.872	50	0		IFAARP
CCC[NH+]1CCC(N2CCC[C@@H]([NH+]3CCN(Cc4ccc5c(c4)OCO5)CC3)C2)CC1	ZINC000020515914	519844691	/nfs/dbraw/zinc/84/46/91/519844691.db2.gz	CPQQJLPKLHVQFJ-HSZRJFAPSA-N	2	0	428.621	2.872	50	0		IFAARP
CC[NH+]1CCN(CCNC(=O)C2CC[NH+](Cc3cn(C)c4ccc(Cl)cc34)CC2)CC1	ZINC000035562282	521681754	/nfs/dbraw/zinc/68/17/54/521681754.db2.gz	FKGOWWZIYCAFHH-UHFFFAOYSA-N	2	0	446.039	2.797	50	0		IFAARP
CC[NH+]1CCN(Cc2ccc(OC)c(OC[C@H](O)C[N@H+](C)Cc3ccccc3)c2)CC1	ZINC000020536397	521689201	/nfs/dbraw/zinc/68/92/01/521689201.db2.gz	DSODQMIMHXMCIX-HSZRJFAPSA-N	2	0	427.589	2.704	50	0		IFAARP
COc1ccc(C[NH2+]CCCOc2cccnc2)cc1OC[C@@H](O)C[NH+]1CCCCC1	ZINC000012304006	524070497	/nfs/dbraw/zinc/07/04/97/524070497.db2.gz	CJXMBXBURNVITF-NRFANRHFSA-N	2	0	429.561	2.875	50	0		IFAARP
COc1ccc(C[NH2+]CCc2cnccn2)cc1OC[C@@H](O)C[NH+]1CCCCCCC1	ZINC000012711536	524071150	/nfs/dbraw/zinc/07/11/50/524071150.db2.gz	TXNKDMJBQCFCHQ-QFIPXVFZSA-N	2	0	428.577	2.823	50	0		IFAARP
COc1ccc(OC[C@H](O)C[NH+]2CCC(O)CC2)c(C[NH2+]Cc2cc(F)ccc2C)c1	ZINC000012591889	524971984	/nfs/dbraw/zinc/97/19/84/524971984.db2.gz	CUGVICLSSMUPPG-JOCHJYFZSA-N	2	0	432.536	2.629	50	0		IFAARP
COc1ccccc1C[N@@H+]1CCC[C@H](CN(CC[NH+](C)C)C(=O)CCc2cnn(C)c2)C1	ZINC000011874003	556370360	/nfs/dbraw/zinc/37/03/60/556370360.db2.gz	UYKNJNRULGNVQO-QFIPXVFZSA-N	2	0	441.620	2.664	50	0		IFAARP
CC[NH+](CC)CCN(C)C(=O)C1CC[NH+](C2CCN(Cc3cccc(C)n3)CC2)CC1	ZINC000019224858	556716577	/nfs/dbraw/zinc/71/65/77/556716577.db2.gz	ATHLUUYNFFQCMH-UHFFFAOYSA-N	2	0	429.653	2.867	50	0		IFAARP
Cc1c(C(=O)NCCC[NH+]2CCCCCC2)sc2ncnc(N3CC[NH+](C)CC3)c12	ZINC000033048321	556744465	/nfs/dbraw/zinc/74/44/65/556744465.db2.gz	SPYJHQVYQPZZQD-UHFFFAOYSA-N	2	0	430.622	2.747	50	0		IFAARP
C[NH+]1CCN(C[C@@H](O)COc2ccc(C[NH2+]CC3C4CC5CC(C4)CC3C5)cc2)CC1	ZINC000019789605	556914512	/nfs/dbraw/zinc/91/45/12/556914512.db2.gz	VWOJONJYXGATPA-ZXNQMKFVSA-N	2	0	427.633	2.836	50	0		IFAARP
CC[NH+]1CCN(C[C@@H](O)COc2ccc(C[NH2+]Cc3ccc(F)cc3)cc2OC)CC1	ZINC000020206157	556998190	/nfs/dbraw/zinc/99/81/90/556998190.db2.gz	XVADZTKMSXNUGA-JOCHJYFZSA-N	2	0	431.552	2.501	50	0		IFAARP
Cc1ccccc1OC[C@H](O)C[NH2+]C1CCC([NH2+]C[C@@H](O)COc2ccccc2C)CC1	ZINC000009509785	562972627	/nfs/dbraw/zinc/97/26/27/562972627.db2.gz	ADCIBYAOLKOWOK-SNDHGLFQSA-N	2	0	442.600	2.973	50	0		IFAARP
COc1ccccc1N1CCC([N@@H+]2CCN(C3CC[NH+](C(C)C)CC3)[C@H](CCO)C2)CC1	ZINC000104638908	568837085	/nfs/dbraw/zinc/83/70/85/568837085.db2.gz	HMLKNXUOYRMQSQ-XMMPIXPASA-N	2	0	444.664	2.905	50	0		IFAARP
COc1cc(CN2CCN(C3CC[NH+](C(C)C)CC3)[C@H](CCO)C2)c(Cl)cc1O	ZINC000104634319	568837514	/nfs/dbraw/zinc/83/75/14/568837514.db2.gz	QPTPJITTXSHPBV-LJQANCHMSA-N	2	0	426.001	2.796	50	0		IFAARP
COc1ccc2c(c1)C[C@H](NC(=O)NCCCN1CCC([NH+]3CCCCC3)CC1)CO2	ZINC000015820939	568839780	/nfs/dbraw/zinc/83/97/80/568839780.db2.gz	CVWHRYDRKSWEHQ-FQEVSTJZSA-N	2	0	430.593	2.638	50	0		IFAARP
CC1CC[NH+](CC2CCN(C(=O)Nc3ccc(C(=O)NCC[NH+](C)C)cc3)CC2)CC1	ZINC000021868977	520998129	/nfs/dbraw/zinc/99/81/29/520998129.db2.gz	KBIYUMTYFFMSKV-UHFFFAOYSA-N	2	0	429.609	2.954	50	0		IFAARP
CC[NH+]1CCN(C[C@H](O)COc2ccc(C[NH2+]CCc3ccccc3C)cc2OC)CC1	ZINC000020601193	521686970	/nfs/dbraw/zinc/68/69/70/521686970.db2.gz	CJXIMHLMYRFRQZ-DEOSSOPVSA-N	2	0	441.616	2.713	50	0		IFAARP
COc1ccccc1C[NH2+]Cc1ccc(OC[C@@H](O)C[NH+]2CCSCC2)c(OC)c1	ZINC000012315812	524488036	/nfs/dbraw/zinc/48/80/36/524488036.db2.gz	MJMQSHFNXXVEOG-FQEVSTJZSA-N	2	0	432.586	2.782	50	0		IFAARP
Cc1cc(C)n(CC(=O)N(CC[NH+](C)C)C[C@@H]2CCC[N@H+](Cc3ccccc3F)C2)n1	ZINC000012386259	524502083	/nfs/dbraw/zinc/50/20/83/524502083.db2.gz	YCZHCZHQLUGDBL-OAQYLSRUSA-N	2	0	429.584	2.941	50	0		IFAARP
COc1ccc(OC[C@@H](O)C[NH+]2CCC(O)CC2)c(C[NH2+]CCc2ccccc2C)c1	ZINC000012714514	524968496	/nfs/dbraw/zinc/96/84/96/524968496.db2.gz	YRIKCBZFGBBPHC-QHCPKHFHSA-N	2	0	428.573	2.532	50	0		IFAARP
COc1ccc(C[NH+]2CCC3(CC2)C(=O)N(CC[NH+](C)C)C(=O)N3CCC(C)C)cc1	ZINC000014740389	556438125	/nfs/dbraw/zinc/43/81/25/556438125.db2.gz	RLIVCDVAVHDDLM-UHFFFAOYSA-N	2	0	430.593	2.902	50	0		IFAARP
C[N@@H+]1CCC[C@@H]1CCNC(=O)[C@@H]1C[C@H](COc2cccnc2)C[NH+](Cc2ccncc2)C1	ZINC000014753904	556444450	/nfs/dbraw/zinc/44/44/50/556444450.db2.gz	GHMUXQIDFDXCPA-YTFSRNRJSA-N	2	0	437.588	2.594	50	0		IFAARP
C[N@@H+]1CCCN(C(=O)c2nc3sccn3c2C[NH2+]C[C@@H]2OCCc3ccccc32)CC1	ZINC000020211380	556998713	/nfs/dbraw/zinc/99/87/13/556998713.db2.gz	PECNFCSSJSAMGW-FQEVSTJZSA-N	2	0	439.585	2.577	50	0		IFAARP
CC[NH+]1CCN(c2cc(C)nc(SCc3cccc(C(=O)NCC[NH+](C)C)c3)n2)CC1	ZINC000096280111	557193963	/nfs/dbraw/zinc/19/39/63/557193963.db2.gz	SZJCTEQEWGJOCP-UHFFFAOYSA-N	2	0	442.633	2.511	50	0		IFAARP
Cc1cccc[n+]1[C@@H]1[C@H](c2ccc([N+](=O)[O-])cc2)C(C#N)=C(C(C#N)=C=[NH2+])N[C@@]1(O)C1CC1	ZINC000033385431	557295772	/nfs/dbraw/zinc/29/57/72/557295772.db2.gz	XYKRUTFELYKHCC-GMKZXUHWSA-N	2	0	441.471	2.694	50	0		IFAARP
Cc1c(C(=O)NCCC[N@H+]2CCC[C@@H](C)C2)sc2ncnc(N3CC[NH+](C)CC3)c12	ZINC000033048285	557322753	/nfs/dbraw/zinc/32/27/53/557322753.db2.gz	PMDSLIDSQLCMSK-MRXNPFEDSA-N	2	0	430.622	2.603	50	0		IFAARP
O[C@H](COc1cccc(C[NH2+]CCCCC[NH+]2CCOCC2)c1)C[NH+]1CCCCCC1	ZINC000023338365	557350345	/nfs/dbraw/zinc/35/03/45/557350345.db2.gz	HTLXXFAZTPEGOD-DEOSSOPVSA-N	3	0	433.637	2.894	50	0		IFAARP
COc1ccc(C[NH2+]Cc2ccc(C)c(F)c2)cc1OC[C@H](O)CN1CCC[N@H+](C)CC1	ZINC000023373104	557351814	/nfs/dbraw/zinc/35/18/14/557351814.db2.gz	SHSHEEHIFINXOD-JOCHJYFZSA-N	2	0	445.579	2.810	50	0		IFAARP
COc1ccc(C[NH2+]C23CC4CC(CC(C4)C2)C3)c(OC[C@H](O)CN2CC[NH+](C)CC2)c1	ZINC000023374183	568613903	/nfs/dbraw/zinc/61/39/03/568613903.db2.gz	ARAJWOQHCJQICH-OJNXCIKNSA-N	2	0	443.632	2.741	50	0		IFAARP
COC(=O)CC[C@H](C)[NH+]1CCC(Oc2ccc(C(=O)NCC[NH+](C)C)cc2Cl)CC1	ZINC000012712606	523115299	/nfs/dbraw/zinc/11/52/99/523115299.db2.gz	MMXHDIFUPOWSJI-INIZCTEOSA-N	2	0	439.984	2.816	50	0		IFAARP
COc1ccc(C[NH2+]CCn2ccnc2C)cc1OC[C@H](O)C[N@H+](C)Cc1ccccc1	ZINC000011820396	556362335	/nfs/dbraw/zinc/36/23/35/556362335.db2.gz	SJYKJHBPDGFLRI-HSZRJFAPSA-N	2	0	438.572	2.862	50	0		IFAARP
COc1ccc(C[NH2+]CCn2ccnc2C)cc1OC[C@@H](O)C[N@H+](C)Cc1ccccc1	ZINC000011820395	556362389	/nfs/dbraw/zinc/36/23/89/556362389.db2.gz	SJYKJHBPDGFLRI-QHCPKHFHSA-N	2	0	438.572	2.862	50	0		IFAARP
COc1cc(C[NH2+]Cc2cccc(SC)c2)ccc1OC[C@H](O)C[NH+]1CCC(O)CC1	ZINC000011840372	556364764	/nfs/dbraw/zinc/36/47/64/556364764.db2.gz	FDCCCVIBTBVNNZ-OAQYLSRUSA-N	2	0	446.613	2.903	50	0		IFAARP
COC(=O)C1CC[NH+](C[C@@H](O)COc2cccc(C[NH2+]Cc3ccc(F)cc3)c2)CC1	ZINC000011841832	556365550	/nfs/dbraw/zinc/36/55/50/556365550.db2.gz	OKZGPYIBFGQNHM-JOCHJYFZSA-N	2	0	430.520	2.740	50	0		IFAARP
CC[N@@H+]1CCC[C@H]1CN(CC1CC[NH+](CCOC)CC1)C(=O)CCc1c(C)noc1C	ZINC000011843883	556367087	/nfs/dbraw/zinc/36/70/87/556367087.db2.gz	HQNHUZFRDMNLCF-QFIPXVFZSA-N	2	0	434.625	2.895	50	0		IFAARP
CC[N@@H+]1CCC[C@@H]1CN(CC1CC[NH+](CCOC)CC1)C(=O)CCc1c(C)noc1C	ZINC000011843882	556367096	/nfs/dbraw/zinc/36/70/96/556367096.db2.gz	HQNHUZFRDMNLCF-JOCHJYFZSA-N	2	0	434.625	2.895	50	0		IFAARP
CCN1C(=O)N(CC[NH+](C)C)C(=O)C12CC[NH+]([C@@H](C)CCc1ccc(OC)cc1)CC2	ZINC000014741292	556438807	/nfs/dbraw/zinc/43/88/07/556438807.db2.gz	JVJYJIDCTUJAST-IBGZPJMESA-N	2	0	430.593	2.697	50	0		IFAARP
CC(C)C[N@H+]1C[C@H](C(=O)Nc2ccc3c(c2)CCC3)C[C@H](C(=O)NCCC[NH+](C)C)C1	ZINC000014746575	556441585	/nfs/dbraw/zinc/44/15/85/556441585.db2.gz	XVNQERYRWQBAEI-FCHUYYIVSA-N	2	0	428.621	2.776	50	0		IFAARP
C[NH+](C)CCCNC(=O)[C@@H]1C[C@H](COc2cccc(F)c2)C[N@H+](Cc2ccncc2)C1	ZINC000014748779	556442354	/nfs/dbraw/zinc/44/23/54/556442354.db2.gz	DWRPWOMUTKNQSU-LEWJYISDSA-N	2	0	428.552	2.806	50	0		IFAARP
C[N@@H+]1CCC[C@H]1CCNC(=O)[C@@H]1C[C@H](COc2cccnc2)C[NH+](Cc2ccncc2)C1	ZINC000014753906	556444390	/nfs/dbraw/zinc/44/43/90/556444390.db2.gz	GHMUXQIDFDXCPA-ZRBLBEILSA-N	2	0	437.588	2.594	50	0		IFAARP
C[N@H+](CCn1cccn1)Cc1cc2cc3c(cc2n(CC[NH+]2CCCCC2)c1=O)OCO3	ZINC000014991900	556475420	/nfs/dbraw/zinc/47/54/20/556475420.db2.gz	RIMVKVDGLNLIQN-UHFFFAOYSA-N	2	0	437.544	2.545	50	0		IFAARP
COc1cc(C[NH2+]C2(c3ccccc3)CC2)ccc1OC[C@H](O)C[NH+]1CCC(O)CC1	ZINC000015072338	556496891	/nfs/dbraw/zinc/49/68/91/556496891.db2.gz	PKBGLZXFUOVXDA-JOCHJYFZSA-N	2	0	426.557	2.671	50	0		IFAARP
O=C(c1nc2ccccn2c1C[N@H+]1CCC[C@H](CO)C1)N1CC[NH+](C2CCCCC2)CC1	ZINC000019222130	556716260	/nfs/dbraw/zinc/71/62/60/556716260.db2.gz	AJIZJTVBUGMEIZ-FQEVSTJZSA-N	2	0	439.604	2.629	50	0		IFAARP
CC[NH+]1CCN(C[C@@H](O)COc2ccc(C[NH2+]CCc3cccc(F)c3)cc2OC)CC1	ZINC000019770972	556913071	/nfs/dbraw/zinc/91/30/71/556913071.db2.gz	SYHOMYXMXPXXEA-HSZRJFAPSA-N	2	0	445.579	2.544	50	0		IFAARP
O[C@@H](COc1cccc(C[NH2+]CCCCC[NH+]2CCOCC2)c1)C[NH+]1CCCCCC1	ZINC000023338363	557350250	/nfs/dbraw/zinc/35/02/50/557350250.db2.gz	HTLXXFAZTPEGOD-XMMPIXPASA-N	3	0	433.637	2.894	50	0		IFAARP
COc1ccc(C[NH2+]C23CC4CC(CC(C4)C2)C3)c(OC[C@@H](O)CN2CC[NH+](C)CC2)c1	ZINC000023374181	568613554	/nfs/dbraw/zinc/61/35/54/568613554.db2.gz	ARAJWOQHCJQICH-GKWUYRECSA-N	2	0	443.632	2.741	50	0		IFAARP
C[NH2+][C@H]1CCc2cc(OC)c(OC)c(OC)c2-c2ccc(NCC[NH+](C)C)c(=O)cc21	ZINC000004064574	569458539	/nfs/dbraw/zinc/45/85/39/569458539.db2.gz	YWNNDKJOVDQFLD-SFHVURJKSA-N	2	0	427.545	2.920	50	0		IFAARP
CC(C)(C)c1ccc(C(=O)N(CCC[NH+]2CCCC2)CCC(=O)N2CC[NH2+]CC2)cc1	ZINC000035422013	519013133	/nfs/dbraw/zinc/01/31/33/519013133.db2.gz	HEECHKQKOVQHLO-UHFFFAOYSA-N	2	0	428.621	2.734	50	0		IFAARP
CCC[NH+]1CCC(N2C[C@H]([NH2+]Cc3ccc(C(C)C)cc3)C[C@H]2C(=O)NCCOC)CC1	ZINC000020996169	519844378	/nfs/dbraw/zinc/84/43/78/519844378.db2.gz	XCCXBKYSHPQPKZ-NOZRDPDXSA-N	2	0	444.664	2.980	50	0		IFAARP
CCC[NH+]1CCC(N2C[C@H]([NH2+]Cc3cccc(C(F)(F)F)c3)C[C@H]2C(=O)NC)CC1	ZINC000023338660	519844748	/nfs/dbraw/zinc/84/47/48/519844748.db2.gz	PXYPRWLLCUQTBS-QUCCMNQESA-N	2	0	426.527	2.858	50	0		IFAARP
CC[NH+]1CCN(C[C@H](O)COc2ccc(C[NH2+]Cc3ccc(F)c(F)c3)cc2OC)CC1	ZINC000022918903	521686671	/nfs/dbraw/zinc/68/66/71/521686671.db2.gz	BFKRXPCNAJIDOG-FQEVSTJZSA-N	2	0	449.542	2.640	50	0		IFAARP
COc1cc(C[NH2+]CCc2ccc(F)cc2)ccc1OC[C@@H](O)C[NH+]1CCSCC1	ZINC000012465279	522453592	/nfs/dbraw/zinc/45/35/92/522453592.db2.gz	ATRAQXCIXNMFEK-NRFANRHFSA-N	2	0	434.577	2.955	50	0		IFAARP
COc1cc(C[NH2+]CCc2nc3c(c(C)n2)CCC3)ccc1OC[C@H](O)C[N@H+](C)C(C)C	ZINC000012588360	522456454	/nfs/dbraw/zinc/45/64/54/522456454.db2.gz	VSTNILBDRXZJMW-HXUWFJFHSA-N	2	0	442.604	2.695	50	0		IFAARP
COc1cc(C[NH2+]Cc2ccc(Cl)s2)ccc1OC[C@@H](O)C[NH+]1CCC(O)CC1	ZINC000012197286	522465302	/nfs/dbraw/zinc/46/53/02/522465302.db2.gz	VQRFAZPYJDLBTF-KRWDZBQOSA-N	2	0	440.993	2.896	50	0		IFAARP
COc1ccc(C[NH2+]CC2CC[NH+](C)CC2)cc1OC[C@H](O)C[N@H+](C)Cc1ccccc1	ZINC000012756348	524069742	/nfs/dbraw/zinc/06/97/42/524069742.db2.gz	SLQCCWKGONKYNM-XMMPIXPASA-N	3	0	441.616	2.998	50	0		IFAARP
COc1ccc(C[NH2+]CC2CC[NH+](C)CC2)cc1OC[C@@H](O)C[N@H+](C)Cc1ccccc1	ZINC000012756344	524069938	/nfs/dbraw/zinc/06/99/38/524069938.db2.gz	SLQCCWKGONKYNM-DEOSSOPVSA-N	3	0	441.616	2.998	50	0		IFAARP
COc1ccc(C[NH2+]CCc2cccc(Cl)c2)cc1OC[C@@H](O)CN1CC[NH+](C)CC1	ZINC000020539445	524071064	/nfs/dbraw/zinc/07/10/64/524071064.db2.gz	KYICKYOTQGWMLK-QFIPXVFZSA-N	2	0	448.007	2.668	50	0		IFAARP
Cc1ccc(C(=O)N(CCC(=O)N2CC[NH2+]CC2)C2CC[NH+](Cc3ccccc3)CC2)cc1	ZINC000035421920	526071221	/nfs/dbraw/zinc/07/12/21/526071221.db2.gz	SBIDYNWSOIZOHD-UHFFFAOYSA-N	2	0	448.611	2.924	50	0		IFAARP
COC(=O)C1CC[NH+](C[C@H](O)COc2cccc(C[NH2+]Cc3ccc(F)cc3)c2)CC1	ZINC000011841835	556365543	/nfs/dbraw/zinc/36/55/43/556365543.db2.gz	OKZGPYIBFGQNHM-QFIPXVFZSA-N	2	0	430.520	2.740	50	0		IFAARP
COCC[NH+]1CCC(C[N@H+](C)Cc2c(C(=O)N3CCCCC3)nc3sccn23)CC1	ZINC000011936134	556378842	/nfs/dbraw/zinc/37/88/42/556378842.db2.gz	MVNDVBQSBOIERJ-UHFFFAOYSA-N	2	0	433.622	2.812	50	0		IFAARP
COC(=O)C1CC[NH+](C[C@@H](O)COc2cccc(C[N@H+](C)Cc3ccc(C)o3)c2)CC1	ZINC000011954356	556380746	/nfs/dbraw/zinc/38/07/46/556380746.db2.gz	FDHVTAKBPGAKPR-OAQYLSRUSA-N	2	0	430.545	2.845	50	0		IFAARP
C[NH+](C)CCNC(=O)[C@H]1C[C@@H](C(=O)Nc2ccc(F)cc2)C[N@H+](CCc2ccccc2)C1	ZINC000014534317	556422566	/nfs/dbraw/zinc/42/25/66/556422566.db2.gz	OYHDCHARIRTVOH-LEWJYISDSA-N	2	0	440.563	2.623	50	0		IFAARP
C[NH+](C)CCCN1C(=O)N(CCc2ccccc2)C2(CC[NH+](Cc3ccccn3)CC2)C1=O	ZINC000014752838	556443988	/nfs/dbraw/zinc/44/39/88/556443988.db2.gz	PBCGSPPLMXYXMX-UHFFFAOYSA-N	2	0	449.599	2.875	50	0		IFAARP
COc1ccc(C[N@H+](C)Cc2ccc(C)cc2)cc1OC[C@H](O)CN1CC[NH+](C)CC1	ZINC000019223827	556716267	/nfs/dbraw/zinc/71/62/67/556716267.db2.gz	FMFWUPFIOPZQMB-HSZRJFAPSA-N	2	0	427.589	2.623	50	0		IFAARP
CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CCc1nc(-c2ccc(OC)cc2)no1	ZINC000058210581	556772272	/nfs/dbraw/zinc/77/22/72/556772272.db2.gz	SYBWQLYSKVRZMG-LJQANCHMSA-N	2	0	429.565	2.552	50	0		IFAARP
CC[NH+]1CCN(C[C@H](O)COc2ccc(C[N@H+](C)CCc3ccccc3)cc2OC)CC1	ZINC000019741232	556882759	/nfs/dbraw/zinc/88/27/59/556882759.db2.gz	HQJRMAAGEQIJPA-DEOSSOPVSA-N	2	0	441.616	2.747	50	0		IFAARP
C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)CC(=O)Nc1ccccc1SCC(N)=O	ZINC000095458241	569369164	/nfs/dbraw/zinc/36/91/64/569369164.db2.gz	LYTAEABCRPSISR-UHFFFAOYSA-N	2	0	441.601	2.836	50	0		IFAARP
CCC[NH+]1CCC(N2C[C@H]([NH2+]Cc3ccc(Cl)cc3)C[C@H]2C(=O)NCCOC)CC1	ZINC000020782877	519844402	/nfs/dbraw/zinc/84/44/02/519844402.db2.gz	HSDALXSMKTVLCG-IRLDBZIGSA-N	2	0	437.028	2.510	50	0		IFAARP
CC[NH+]1CCN(C[C@H](O)COc2ccc(C[NH2+]Cc3cccc(C)c3)cc2OC)CC1	ZINC000020907584	521686688	/nfs/dbraw/zinc/68/66/88/521686688.db2.gz	BEZLZIHSFXXBJU-QHCPKHFHSA-N	2	0	427.589	2.671	50	0		IFAARP
COc1cc(C[NH2+]CCCN2CCCC2=O)ccc1OC[C@@H](O)C[N@H+](C)C1CCCCC1	ZINC000012718381	522447591	/nfs/dbraw/zinc/44/75/91/522447591.db2.gz	HSHSTRRFBKCGHO-QFIPXVFZSA-N	2	0	447.620	2.802	50	0		IFAARP
C[NH+](C)CCNC(=O)c1coc(CN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)n1	ZINC000034684548	555820221	/nfs/dbraw/zinc/82/02/21/555820221.db2.gz	JQUJYVABMACMPK-UHFFFAOYSA-N	2	0	447.583	2.873	50	0		IFAARP
COc1cc(C[NH2+]Cc2cccc(SC)c2)ccc1OC[C@@H](O)C[NH+]1CCC(O)CC1	ZINC000011840370	556364682	/nfs/dbraw/zinc/36/46/82/556364682.db2.gz	FDCCCVIBTBVNNZ-NRFANRHFSA-N	2	0	446.613	2.903	50	0		IFAARP
COc1cc(C[NH2+]CCCc2ccccc2)ccc1OC[C@H](O)C[NH+]1CCC(O)CC1	ZINC000011880035	556372160	/nfs/dbraw/zinc/37/21/60/556372160.db2.gz	SVMIDUTXLNTSKV-HSZRJFAPSA-N	2	0	428.573	2.614	50	0		IFAARP
C[NH+](C)CCN(C[C@H]1CCC[N@H+](Cc2ccccc2F)C1)C(=O)CCN1CCCCO1	ZINC000014961398	556464162	/nfs/dbraw/zinc/46/41/62/556464162.db2.gz	TTXRMXLUZCZXSI-NRFANRHFSA-N	2	0	434.600	2.845	50	0		IFAARP
CC[NH+]1CCN(C[C@@H](O)COc2cccc(C[NH2+]CCCc3scnc3C)c2)CC1	ZINC000019224691	556716634	/nfs/dbraw/zinc/71/66/34/556716634.db2.gz	MOKVIXGWJZQHNS-OAQYLSRUSA-N	2	0	432.634	2.551	50	0		IFAARP
Cc1c(C(=O)NCCC[N@H+]2CCC[C@H](C)C2)sc2ncnc(N3CC[NH+](C)CC3)c12	ZINC000033048286	556744428	/nfs/dbraw/zinc/74/44/28/556744428.db2.gz	PMDSLIDSQLCMSK-INIZCTEOSA-N	2	0	430.622	2.603	50	0		IFAARP
CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CCc1nc(-c2ccc(OC)cc2)no1	ZINC000058210582	556772361	/nfs/dbraw/zinc/77/23/61/556772361.db2.gz	SYBWQLYSKVRZMG-IBGZPJMESA-N	2	0	429.565	2.552	50	0		IFAARP
O[C@H](C[NH2+]CCCCCC[NH2+]C[C@@H](O)CCOc1ccccc1)COc1ccccc1	ZINC000004686166	556879209	/nfs/dbraw/zinc/87/92/09/556879209.db2.gz	QRQXKWQQPIBTQJ-XZOQPEGZSA-N	2	0	430.589	2.996	50	0		IFAARP
Cc1c(C(=O)N(CC[NH+](C)C)Cc2ccco2)sc2ncnc(N3CC[NH+](C)CC3)c12	ZINC000033266108	556976921	/nfs/dbraw/zinc/97/69/21/556976921.db2.gz	NNOJRBAGPPZFRU-UHFFFAOYSA-N	2	0	442.589	2.549	50	0		IFAARP
COc1ccc(C[NH2+]CCCN2CCCC2=O)cc1OC[C@H](O)C[NH+]1CCCCCCC1	ZINC000014978837	557460007	/nfs/dbraw/zinc/46/00/07/557460007.db2.gz	CAWUEEMEVAXSAY-JOCHJYFZSA-N	2	0	447.620	2.803	50	0		IFAARP
COc1ccc(Cn2c(C[N@@H+]3CCC[C@@H](C(=O)N4CC[NH2+]CC4)C3)nc3ccccc32)cc1	ZINC000247890933	568632261	/nfs/dbraw/zinc/63/22/61/568632261.db2.gz	MTISEVDGFOSZHB-OAQYLSRUSA-N	2	0	447.583	2.737	50	0		IFAARP
CC[NH+]1CCC(CC(=O)N2CCC3(CC2)C[C@H]([NH+]2CCN(C(C)C)CC2)CCO3)CC1	ZINC000581819732	569211636	/nfs/dbraw/zinc/21/16/36/569211636.db2.gz	FRPPYVAVDDPURG-HSZRJFAPSA-N	2	0	434.669	2.675	50	0		IFAARP
CC(=O)N1CCC[N@H+](Cc2ccccc2OC[C@H](O)C[NH+]2CCc3ccccc3C2)CC1	ZINC000012716157	519530403	/nfs/dbraw/zinc/53/04/03/519530403.db2.gz	DZDQKNOKXJJBKY-RUZDIDTESA-N	2	0	437.584	2.539	50	0		IFAARP
CC[NH+]1CCN(C[C@@H](O)COc2ccc(C[NH2+]Cc3cccc(C)c3)cc2OC)CC1	ZINC000020907580	521685159	/nfs/dbraw/zinc/68/51/59/521685159.db2.gz	BEZLZIHSFXXBJU-HSZRJFAPSA-N	2	0	427.589	2.671	50	0		IFAARP
C[NH+](C)CCNC(=O)c1ccc(OC2CC[NH+](CCCn3cccn3)CC2)c(Cl)c1	ZINC000015074824	521785859	/nfs/dbraw/zinc/78/58/59/521785859.db2.gz	IXDHSSNKEVFGBI-UHFFFAOYSA-N	2	0	433.984	2.761	50	0		IFAARP
COc1cc(C[NH+]2CCC(CCNC(C)=O)CC2)ccc1OC[C@H](O)C[N@H+](C)C(C)C	ZINC000012298696	522368821	/nfs/dbraw/zinc/36/88/21/522368821.db2.gz	CPCCQHKRKCDYOA-JOCHJYFZSA-N	2	0	435.609	2.513	50	0		IFAARP
COC(=O)C1CC[NH+](C[C@H](O)COc2ccc(C[N@H+](C)Cc3ccccc3)cc2)CC1	ZINC000012439344	522916987	/nfs/dbraw/zinc/91/69/87/522916987.db2.gz	LWUFDPUATYKFCD-QHCPKHFHSA-N	2	0	426.557	2.943	50	0		IFAARP
COC(=O)CCCC(=O)N(CCC[NH+](C)C)CC1CC[NH+](C2Cc3ccccc3C2)CC1	ZINC000012709690	522953076	/nfs/dbraw/zinc/95/30/76/522953076.db2.gz	QOZCCSXCUGEACU-UHFFFAOYSA-N	2	0	443.632	2.989	50	0		IFAARP
COc1ccc(OC[C@@H](O)C[NH+]2CCC(O)CC2)c(C[NH2+]Cc2cc(F)ccc2C)c1	ZINC000012591883	524967657	/nfs/dbraw/zinc/96/76/57/524967657.db2.gz	CUGVICLSSMUPPG-QFIPXVFZSA-N	2	0	432.536	2.629	50	0		IFAARP
C[NH+](C)CCN(C[C@H]1CCC[N@H+](Cc2ccccc2F)C1)C(=O)c1n[nH]c2c1CCC2	ZINC000011936712	556378877	/nfs/dbraw/zinc/37/88/77/556378877.db2.gz	ZKVTXUAVHQQRMM-SFHVURJKSA-N	2	0	427.568	2.954	50	0		IFAARP
CN(C[C@H]1COCCO1)C(=O)C1CC[NH+](C2CC[NH+](CCCc3ccccc3)CC2)CC1	ZINC000012075639	556397498	/nfs/dbraw/zinc/39/74/98/556397498.db2.gz	OWQSQBVDOOEHTD-VWLOTQADSA-N	2	0	443.632	2.669	50	0		IFAARP
COc1ccc(CCN2C(=O)N(CC[NH+](C)C)C(=O)C23CC[NH+](CCC(C)C)CC3)cc1	ZINC000014533693	556422245	/nfs/dbraw/zinc/42/22/45/556422245.db2.gz	XNVVQPGNAJBDDK-UHFFFAOYSA-N	2	0	444.620	2.944	50	0		IFAARP
C[NH+](C)CCCN1C(=O)N(CCc2ccccc2)C2(CC[NH+]([C@H]3CCSC3)CC2)C1=O	ZINC000014748943	556442471	/nfs/dbraw/zinc/44/24/71/556442471.db2.gz	WACWFIHMQPBURD-NRFANRHFSA-N	2	0	444.645	2.785	50	0		IFAARP
CC[NH+](CC)CC1CC[NH+]([C@@H](C)C(=O)NCC(=O)Nc2ccc(F)c(F)c2F)CC1	ZINC000058296919	556778295	/nfs/dbraw/zinc/77/82/95/556778295.db2.gz	LETBIPJPVKUOEO-AWEZNQCLSA-N	2	0	428.499	2.601	50	0		IFAARP
COC(=O)c1ccc(N2C(=O)C[C@H]([NH2+]CC3CC[NH+](Cc4cccs4)CC3)C2=O)cc1	ZINC000100218641	557248457	/nfs/dbraw/zinc/24/84/57/557248457.db2.gz	ZTJHDDTUFVYKCV-FQEVSTJZSA-N	2	0	441.553	2.668	50	0		IFAARP
COc1ccc(Cn2c(C[N@@H+]3CCC[C@H](C(=O)N4CC[NH2+]CC4)C3)nc3ccccc32)cc1	ZINC000247890926	568632343	/nfs/dbraw/zinc/63/23/43/568632343.db2.gz	MTISEVDGFOSZHB-NRFANRHFSA-N	2	0	447.583	2.737	50	0		IFAARP
COc1ccccc1-n1cc(CN2CCN(C3CC[NH+](C(C)C)CC3)[C@H](CCO)C2)cn1	ZINC000104630641	568837561	/nfs/dbraw/zinc/83/75/61/568837561.db2.gz	BNZBUOGBGBFWCP-HSZRJFAPSA-N	2	0	441.620	2.622	50	0		IFAARP
O[C@@H](C[NH2+]Cc1ccccc1)COc1ccc(OC[C@@H](O)C[NH2+]Cc2ccccc2)cc1	ZINC000009144807	569507354	/nfs/dbraw/zinc/50/73/54/569507354.db2.gz	SPDPKQTVSTWZBZ-ZEQRLZLVSA-N	2	0	436.552	2.746	50	0		IFAARP