smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cc(C[NH2+]CCc2ccncc2)ccc1OC[C@H](O)C[NH+]1CCSCC1	ZINC000011816522	558279839	/nfs/dbraw/zinc/27/98/39/558279839.db2.gz	URUABZVFPWIBGT-HXUWFJFHSA-N	2	0	417.575	2.211	50	0		HEAARP
O[C@H](COc1cccc(C[NH2+]Cc2ccc(F)cc2F)c1)C[NH+]1CCC(O)CC1	ZINC000015077477	558717165	/nfs/dbraw/zinc/71/71/65/558717165.db2.gz	KOWFBKKCEVLLFO-FQEVSTJZSA-N	2	0	406.473	2.451	50	0		HEAARP
Cc1ccc(C(=O)N(CCC[NH+]2CCCCC2)CCC(=O)N2CC[NH2+]CC2)cc1	ZINC000035422010	558791549	/nfs/dbraw/zinc/79/15/49/558791549.db2.gz	YTMDZKKQCBUIOP-UHFFFAOYSA-N	2	0	400.567	2.135	50	0		HEAARP
CC(C)C[N@H+](C)CCCN1CC2(CCN(C(=O)[C@H]([NH3+])c3ccccc3)CC2)OC1=O	ZINC000077524717	559008344	/nfs/dbraw/zinc/00/83/44/559008344.db2.gz	LQCPYEUQTBOKAV-HXUWFJFHSA-N	2	0	416.566	2.478	50	0		HEAARP
Cn1ccnc1CNC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](C3Cc4ccccc4C3)CC2)C1	ZINC000091872629	559074311	/nfs/dbraw/zinc/07/43/11/559074311.db2.gz	BILAHSCMNRHNLC-NRFANRHFSA-N	2	0	421.589	2.380	50	0		HEAARP
CC1=C(C(=O)NCCC[NH+]2CCCC2)C2(CC[NH+](Cc3ccccc3)CC2)OC1=O	ZINC000020531715	568627396	/nfs/dbraw/zinc/62/73/96/568627396.db2.gz	LDALEUAPOIFZAC-UHFFFAOYSA-N	2	0	411.546	2.497	50	0	biogenic	HEAARP
C[NH+](C)CCOc1ccc(NC(=O)C(=O)NCC[N@H+](C)C2CCCC2)cc1Cl	ZINC000089314367	569058483	/nfs/dbraw/zinc/05/84/83/569058483.db2.gz	AVCOJWRPXXQQPE-UHFFFAOYSA-N	2	0	410.946	2.210	50	0		HEAARP
CCn1nc(C(=O)N2CCSCC2)c2c1CC[C@@H]([NH2+]CC(C)(C)C[NH+](C)C)C2	ZINC000020539340	523613995	/nfs/dbraw/zinc/61/39/95/523613995.db2.gz	ROEJSBYPXDUBRK-MRXNPFEDSA-N	2	0	407.628	2.127	50	0		HEAARP
COc1ccccc1C[N@@H+]1CCC[C@H](CN(CC[NH+](C)C)C(=O)c2ccnn2C)C1	ZINC000011878589	558293109	/nfs/dbraw/zinc/29/31/09/558293109.db2.gz	KOMLSDSLVYFMJJ-IBGZPJMESA-N	2	0	413.566	2.345	50	0		HEAARP
C[NH+](C)CCN(C[C@H]1CCC[N@H+](Cc2ccccc2F)C1)C(=O)CN1CCCC1=O	ZINC000012443622	558412983	/nfs/dbraw/zinc/41/29/83/558412983.db2.gz	NEBKPZKXAJCDBP-IBGZPJMESA-N	2	0	418.557	2.050	50	0		HEAARP
COC(=O)CCC(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@H+](Cc2ccccc2F)C1	ZINC000012711754	558453081	/nfs/dbraw/zinc/45/30/81/558453081.db2.gz	DFSWWIXPHDAAPT-GOSISDBHSA-N	2	0	407.530	2.381	50	0		HEAARP
O[C@@H](COc1cccc(C[NH2+]CCc2ccc(F)cc2)c1)C[NH+]1CCC(O)CC1	ZINC000012385581	558499500	/nfs/dbraw/zinc/49/95/00/558499500.db2.gz	BDKPABHMDZNQAT-JOCHJYFZSA-N	2	0	402.510	2.354	50	0		HEAARP
CCCCNC(=O)[C@@H]1C[C@H](CN2CC[NH+](C)CC2)C[N@H+](CCc2ccccc2)C1	ZINC000023352462	558550891	/nfs/dbraw/zinc/55/08/91/558550891.db2.gz	ATHWVHRVBOXMFP-DHIUTWEWSA-N	2	0	400.611	2.331	50	0		HEAARP
CC[NH+]1CCN(C[C@@H](O)COc2ccc(C[NH+]3CCCCCC3)cc2OC)CC1	ZINC000023360737	558552131	/nfs/dbraw/zinc/55/21/31/558552131.db2.gz	FHKPFJAZNCQADV-OAQYLSRUSA-N	2	0	405.583	2.448	50	0		HEAARP
Cc1cc(C)cc(C(=O)N(CCC(=O)N2CC[NH2+]CC2)CC[N@H+]2CCCC[C@@H]2C)c1	ZINC000035422032	558791726	/nfs/dbraw/zinc/79/17/26/558791726.db2.gz	IWBLPBOGBOWJBF-NRFANRHFSA-N	2	0	414.594	2.442	50	0		HEAARP
O=C([C@H]1CCC[N@@H+](C2CC[NH+](C3Cc4ccccc4C3)CC2)C1)N1CCC[NH2+]CC1	ZINC000082097425	559037594	/nfs/dbraw/zinc/03/75/94/559037594.db2.gz	MLQWLNPJUUMGQD-QFIPXVFZSA-N	3	0	410.606	2.152	50	0		HEAARP
O=C1CCCN1CCC[NH2+]Cc1cccc(OC[C@@H](O)C[NH+]2CCCCCC2)c1	ZINC000011812783	559260265	/nfs/dbraw/zinc/26/02/65/559260265.db2.gz	HFPHDYZNBDYMJU-NRFANRHFSA-N	2	0	403.567	2.404	50	0		HEAARP
CC[NH+]1CCC2(CC1)OC(=O)C(C)=C2C(=O)NC1CC[NH+](Cc2ccccc2)CC1	ZINC000020531721	568627608	/nfs/dbraw/zinc/62/76/08/568627608.db2.gz	YTGYVSBOSONOPQ-UHFFFAOYSA-N	2	0	411.546	2.495	50	0	biogenic	HEAARP
C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1	ZINC000170598137	569242414	/nfs/dbraw/zinc/24/24/14/569242414.db2.gz	ZAOXGROPQOBMIB-LJQANCHMSA-N	2	0	419.639	2.425	50	0		HEAARP
COc1ccc(OC[C@H](O)C[NH+]2CCC(O)CC2)c(C[NH2+]Cc2ccccc2)c1	ZINC000011661052	558265036	/nfs/dbraw/zinc/26/50/36/558265036.db2.gz	ZMUBSPRNYZKYPD-OAQYLSRUSA-N	2	0	400.519	2.181	50	0		HEAARP
COc1ccc(OC[C@@H](O)C[NH+]2CCC(O)CC2)c(C[NH2+]Cc2ccccc2C)c1	ZINC000011816498	558279886	/nfs/dbraw/zinc/27/98/86/558279886.db2.gz	NBXGWRQTBAWRIX-QFIPXVFZSA-N	2	0	414.546	2.490	50	0		HEAARP
COc1ccc(C[N@H+](C)CCc2cnn(C)c2)cc1OC[C@@H](O)C[NH+]1CCCCC1	ZINC000011817834	558281221	/nfs/dbraw/zinc/28/12/21/558281221.db2.gz	BVQRBIVOSWIEKK-NRFANRHFSA-N	2	0	416.566	2.329	50	0		HEAARP
Cc1ccc(C)c(C[N@H+]2CCc3nnc([C@H](C)NC(=O)C4CC[NH+](C)CC4)n3CC2)c1	ZINC000011972036	558305096	/nfs/dbraw/zinc/30/50/96/558305096.db2.gz	RZRSWHGYAAEMJB-IBGZPJMESA-N	2	0	424.593	2.472	50	0		HEAARP
CC(=O)Nc1ccc(C[N@H+]2CCN(C3CC[NH+](C(C)C)CC3)[C@@H](CCO)C2)cc1	ZINC000023360352	558551865	/nfs/dbraw/zinc/55/18/65/558551865.db2.gz	MIKGDPKVVHPGKH-QHCPKHFHSA-N	2	0	402.583	2.386	50	0		HEAARP
COc1cc(C[NH+]2CCC3(C[C@@H]3C(=O)N3CCC[N@H+](C)CC3)CC2)cc(OC)c1	ZINC000014964102	558685167	/nfs/dbraw/zinc/68/51/67/558685167.db2.gz	PDDWCQBJXUAXCA-OAQYLSRUSA-N	2	0	401.551	2.470	50	0		HEAARP
COc1cc(C[NH2+]CCc2ccco2)ccc1OC[C@@H](O)C[NH+]1CCSCC1	ZINC000015080208	558718648	/nfs/dbraw/zinc/71/86/48/558718648.db2.gz	ZPHMLZXHPJKCIT-SFHVURJKSA-N	2	0	406.548	2.409	50	0		HEAARP
O=C(CCN(CCC[NH+]1CCCCC1)C(=O)c1ccc(F)c(F)c1)N1CC[NH2+]CC1	ZINC000035422004	558791456	/nfs/dbraw/zinc/79/14/56/558791456.db2.gz	ZXOJQJKYWCVGHD-UHFFFAOYSA-N	2	0	422.520	2.105	50	0		HEAARP
CC(C)(CO)CNC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](C3Cc4ccccc4C3)CC2)C1	ZINC000091526312	559071937	/nfs/dbraw/zinc/07/19/37/559071937.db2.gz	QTRROEPHHRJGAQ-NRFANRHFSA-N	2	0	413.606	2.465	50	0		HEAARP
COC(=O)C1CC[NH+](C[C@@H](O)COc2ccc(C[N@H+]3CC=C(C)CC3)cc2)CC1	ZINC000095528072	559086318	/nfs/dbraw/zinc/08/63/18/559086318.db2.gz	JBHDRUBMVSLYEJ-OAQYLSRUSA-N	2	0	402.535	2.463	50	0		HEAARP
COc1ccc(CN2CCN(C3CC[NH+](C(C)C)CC3)[C@H](CCO)C2)c(OC)c1	ZINC000106722490	569009240	/nfs/dbraw/zinc/00/92/40/569009240.db2.gz	FLDOWZCOUDYYLI-OAQYLSRUSA-N	2	0	405.583	2.445	50	0		HEAARP
O=C(C[C@H]1C(=O)NCC[N@@H+]1C1CCCC1)NCC1CC[NH+](Cc2ccccc2)CC1	ZINC000011775727	558274844	/nfs/dbraw/zinc/27/48/44/558274844.db2.gz	DRFBIMYQGFYIGH-QFIPXVFZSA-N	2	0	412.578	2.148	50	0		HEAARP
COc1ccc(C[NH2+]CCc2ccccc2)c(OC[C@H](O)CN2CC[NH+](C)CC2)c1	ZINC000020993551	558426142	/nfs/dbraw/zinc/42/61/42/558426142.db2.gz	OOUTVJNESRGADL-JOCHJYFZSA-N	2	0	413.562	2.015	50	0		HEAARP
COc1ccc(C(=O)NCC[N@@H+]2CCC[C@H](O)C2)cc1OC1CC[NH+](C(C)C)CC1	ZINC000012592363	558436157	/nfs/dbraw/zinc/43/61/57/558436157.db2.gz	HTFRFKIUVPZNJH-IBGZPJMESA-N	2	0	419.566	2.133	50	0		HEAARP
CCc1ccc(C[N@H+]2CCc3nnc([C@@H](C)NC(=O)C4CC[NH+](C)CC4)n3CC2)o1	ZINC000015004457	558698847	/nfs/dbraw/zinc/69/88/47/558698847.db2.gz	FGUWZDVZLCHPPS-MRXNPFEDSA-N	2	0	414.554	2.011	50	0		HEAARP
COc1cc(C[NH2+]CCc2ccco2)ccc1OC[C@H](O)C[NH+]1CCSCC1	ZINC000015080215	558718797	/nfs/dbraw/zinc/71/87/97/558718797.db2.gz	ZPHMLZXHPJKCIT-GOSISDBHSA-N	2	0	406.548	2.409	50	0		HEAARP
C[C@@H]1CCCC[N@@H+]1CCN(CCC(=O)N1CC[NH2+]CC1)C(=O)c1ccc(Cl)cc1	ZINC000035422038	558791841	/nfs/dbraw/zinc/79/18/41/558791841.db2.gz	AOOBMHJPGAYGLX-GOSISDBHSA-N	2	0	420.985	2.479	50	0		HEAARP
COc1ccc(CNCCC[NH+]2CCCC2)cc1OC[C@H](O)C[NH+]1CCCCC1	ZINC000055227847	558876997	/nfs/dbraw/zinc/87/69/97/558876997.db2.gz	MWCOKAQAOPPSDQ-OAQYLSRUSA-N	2	0	405.583	2.496	50	0		HEAARP
Cc1c(C(=O)NCC[N@H+]2CCCC[C@H]2C)sc2ncnc(N3CC[NH+](C)CC3)c12	ZINC000033048283	558885213	/nfs/dbraw/zinc/88/52/13/558885213.db2.gz	LIJQWQYFPJDSEN-OAHLLOKOSA-N	2	0	416.595	2.356	50	0		HEAARP
CC[NH+]1CCN(CCN2CC3(CC[NH+](Cc4sccc4C)CC3)OC2=O)CC1	ZINC000072418266	558978211	/nfs/dbraw/zinc/97/82/11/558978211.db2.gz	DXPCQXVSMZYGIC-UHFFFAOYSA-N	2	0	406.596	2.481	50	0		HEAARP
CN(CC[NH+]1CCCC1)C(=O)[C@@H]1CCC[N@@H+](C2CCN(Cc3cccnc3)CC2)C1	ZINC000082106624	559038224	/nfs/dbraw/zinc/03/82/24/559038224.db2.gz	LQKXBDJMACJRRH-JOCHJYFZSA-N	2	0	413.610	2.312	50	0		HEAARP
CN(CC[NH+](C)C)C(=O)[C@H]1CCC[N@@H+](C2CC[NH+](C3Cc4ccccc4C3)CC2)C1	ZINC000091526670	559072002	/nfs/dbraw/zinc/07/20/02/559072002.db2.gz	NFIAYYKAHQMBSK-QFIPXVFZSA-N	3	0	412.622	2.350	50	0		HEAARP
CC(=O)NC1CC[NH+](Cc2cccc(OC[C@H](O)C[NH+]3CCCCCC3)c2)CC1	ZINC000095497397	559081831	/nfs/dbraw/zinc/08/18/31/559081831.db2.gz	XOQJWIHPEVZYTL-JOCHJYFZSA-N	2	0	403.567	2.403	50	0		HEAARP
CC(C)(C[NH2+]C[C@H](O)COc1ccccc1)C[NH2+]C[C@H](O)COc1ccccc1	ZINC000006052993	568988477	/nfs/dbraw/zinc/98/84/77/568988477.db2.gz	ZZOWGFFBXUUUNE-PMACEKPBSA-N	2	0	402.535	2.072	50	0		HEAARP
CC[NH+](CC)CCCNC(=O)C1CC[NH+](CC(=O)N(C)Cc2ccsc2)CC1	ZINC000040127619	571179328	/nfs/dbraw/zinc/17/93/28/571179328.db2.gz	JDKQLRQBRUVLBP-UHFFFAOYSA-N	2	0	408.612	2.267	50	0		HEAARP
COc1cc(C[NH2+]Cc2cccnc2)ccc1OC[C@@H](O)C[NH+]1CCSCC1	ZINC000011820694	558283989	/nfs/dbraw/zinc/28/39/89/558283989.db2.gz	OLYSEOQAQIKWMD-IBGZPJMESA-N	2	0	403.548	2.169	50	0		HEAARP
O=CN1CCC[N@@H+](Cc2cccc(OC[C@@H](O)C[NH+]3CCc4ccccc4C3)c2)CC1	ZINC000012298976	558368935	/nfs/dbraw/zinc/36/89/35/558368935.db2.gz	LHOMYMMZGHNFPQ-DEOSSOPVSA-N	2	0	423.557	2.149	50	0		HEAARP
COc1ccc(C[NH2+]CCCn2ccnc2C)cc1OC[C@H](O)C[N@H+](C)C(C)C	ZINC000012302113	558371692	/nfs/dbraw/zinc/37/16/92/558371692.db2.gz	OVFHIJHPDXVYPV-HXUWFJFHSA-N	2	0	404.555	2.460	50	0		HEAARP
C[NH+](C)CCN(C[C@@H]1CCC[N@H+](Cc2ccccc2F)C1)C(=O)CCn1cncn1	ZINC000012386180	558394984	/nfs/dbraw/zinc/39/49/84/558394984.db2.gz	MFMHXTSDZJREHB-LJQANCHMSA-N	2	0	416.545	2.110	50	0		HEAARP
COc1cc(C[N@H+](C)CCn2nc(C)cc2C)ccc1OC[C@@H](O)C[NH+]1CCCC1	ZINC000012476564	558422862	/nfs/dbraw/zinc/42/28/62/558422862.db2.gz	VGFMYPGFYPYQEG-NRFANRHFSA-N	2	0	416.566	2.476	50	0		HEAARP
COc1ccc(C[NH2+]Cc2ccccc2C)c(OC[C@H](O)CN2CC[NH+](C)CC2)c1	ZINC000022852945	558517161	/nfs/dbraw/zinc/51/71/61/558517161.db2.gz	IGBHTUAZWCQBFF-JOCHJYFZSA-N	2	0	413.562	2.281	50	0		HEAARP
C[C@H](CC(C)(C)O)[NH+]1CCC([NH+]2CCC(C(=O)NCc3ccccn3)CC2)CC1	ZINC000015066619	558709678	/nfs/dbraw/zinc/70/96/78/558709678.db2.gz	DDOMMARIMNBOHV-GOSISDBHSA-N	2	0	402.583	2.424	50	0		HEAARP
C[N@H+](CCCN1CC2(CCN(C(=O)[C@H]3CCC[NH2+]3)CC2)OC1=O)C1CCCCC1	ZINC000077376782	559002712	/nfs/dbraw/zinc/00/27/12/559002712.db2.gz	JKUNSRFXMNWZMS-LJQANCHMSA-N	2	0	406.571	2.206	50	0		HEAARP
CC(C)[NH+]1CCN(CCCN2CC3(CCN(c4cc[nH+]cc4)CC3)OC2=O)CC1	ZINC000077470661	559006449	/nfs/dbraw/zinc/00/64/49/559006449.db2.gz	AZYUYSWRSYDZJK-UHFFFAOYSA-N	2	0	401.555	2.289	50	0		HEAARP
CN(CC[NH+]1CCCC1)C(=O)[C@@H]1CCC[N@@H+](C2CCN(Cc3ccncc3)CC2)C1	ZINC000091548809	559072159	/nfs/dbraw/zinc/07/21/59/559072159.db2.gz	QNEZIRQMJSRNLK-JOCHJYFZSA-N	2	0	413.610	2.312	50	0		HEAARP
CC[NH+]1CCC(N2CCC([N@@H+]3CCC[C@H](C(=O)NCc4ccccn4)C3)CC2)CC1	ZINC000091845403	559074049	/nfs/dbraw/zinc/07/40/49/559074049.db2.gz	AFXSFUXCFJENLC-FQEVSTJZSA-N	2	0	413.610	2.359	50	0		HEAARP
CCNc1ncc(C[N@@H+]2CC[C@@H]3C[C@H]([NH+]4CCOCC4)CC[C@@]3(COC)C2)cn1	ZINC000095354703	559079876	/nfs/dbraw/zinc/07/98/76/559079876.db2.gz	MHFKKARCIRPTSE-SJBKTWHCSA-N	2	0	403.571	2.248	50	0		HEAARP
CC[C@@](C)([NH2+]CCc1c[nH]c2ccccc12)c1nnnn1CCCN1CCOCC1	ZINC000575443630	569028470	/nfs/dbraw/zinc/02/84/70/569028470.db2.gz	FEKXQIAFCVPZOE-JOCHJYFZSA-N	2	0	411.554	2.334	50	0		HEAARP
COc1ccccc1C[N@@H+]1CCC[C@@H](CN(CC[NH+](C)C)C(=O)Cn2cccn2)C1	ZINC000012053437	558314958	/nfs/dbraw/zinc/31/49/58/558314958.db2.gz	HGVWYCNPBDSAMC-HXUWFJFHSA-N	2	0	413.566	2.194	50	0		HEAARP
CC[NH+](CC)C[C@H](O)COc1ccc(C[NH2+]CCCn2ccnc2C)cc1OC	ZINC000012429368	558404230	/nfs/dbraw/zinc/40/42/30/558404230.db2.gz	UTYIMDUWFCVGBT-FQEVSTJZSA-N	2	0	404.555	2.462	50	0		HEAARP
Cc1nc(CC[NH2+]Cc2cccc(OC[C@@H](O)C[NH+]3CCC(O)CC3)c2)sc1C	ZINC000012440072	558411470	/nfs/dbraw/zinc/41/14/70/558411470.db2.gz	ZJCYSKJDTUDZSZ-FQEVSTJZSA-N	2	0	419.591	2.289	50	0		HEAARP
COc1ccc(C[NH2+]Cc2cn(C)nc2C)cc1OC[C@@H](O)C[NH+]1CCCCC1	ZINC000012453412	558416350	/nfs/dbraw/zinc/41/63/50/558416350.db2.gz	HPTOHMXBMUWZRR-FQEVSTJZSA-N	2	0	402.539	2.253	50	0		HEAARP
COc1cc(C[NH2+]Cc2ccccc2)ccc1OC[C@H](O)C[NH+]1CCC(O)CC1	ZINC000012593122	558436423	/nfs/dbraw/zinc/43/64/23/558436423.db2.gz	QOKJNZXDOGMZLA-OAQYLSRUSA-N	2	0	400.519	2.181	50	0		HEAARP
COc1cc(C[NH+]2CCC3(C[C@H]3C(=O)N3CCC[N@H+](C)CC3)CC2)cc(OC)c1	ZINC000014964106	558685118	/nfs/dbraw/zinc/68/51/18/558685118.db2.gz	PDDWCQBJXUAXCA-NRFANRHFSA-N	2	0	401.551	2.470	50	0		HEAARP
COC(=O)C1CC[NH+](Cc2ccc(OC)c(OC[C@H](O)C[N@H+](C)C(C)C)c2)CC1	ZINC000015063799	558706482	/nfs/dbraw/zinc/70/64/82/558706482.db2.gz	GRWILGNLMDVSNU-LJQANCHMSA-N	2	0	408.539	2.160	50	0		HEAARP
O=C(NC1CC[NH2+]CC1)[C@H]1CCC[N@@H+](C2CC[NH+](C3Cc4ccccc4C3)CC2)C1	ZINC000082136735	559040205	/nfs/dbraw/zinc/04/02/05/559040205.db2.gz	QSWMSPFZFOJOHC-NRFANRHFSA-N	3	0	410.606	2.198	50	0		HEAARP
O=C(NCC[NH+]1CCCCC1)[C@@H]1CCC[N@@H+](C2CCN(Cc3ccncc3)CC2)C1	ZINC000082147311	559040790	/nfs/dbraw/zinc/04/07/90/559040790.db2.gz	QPXBENVFVVLVDR-JOCHJYFZSA-N	2	0	413.610	2.360	50	0		HEAARP
CC(C)(CO)CNC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](C3Cc4ccccc4C3)CC2)C1	ZINC000091526311	559071961	/nfs/dbraw/zinc/07/19/61/559071961.db2.gz	QTRROEPHHRJGAQ-OAQYLSRUSA-N	2	0	413.606	2.465	50	0		HEAARP
COc1cc(C[NH2+]Cc2ccccc2C)ccc1OC[C@H](O)C[NH+]1CCC(O)CC1	ZINC000012471590	568838510	/nfs/dbraw/zinc/83/85/10/568838510.db2.gz	KCLLVDDBOMBBBK-JOCHJYFZSA-N	2	0	414.546	2.490	50	0		HEAARP
O=C(NCC1([NH+]2CCOCC2)CCCCC1)NCC1([NH+]2CCOCC2)CCCCC1	ZINC000012763486	568947071	/nfs/dbraw/zinc/94/70/71/568947071.db2.gz	OZYXVJSPOIYPRD-UHFFFAOYSA-N	2	0	422.614	2.356	50	0		HEAARP
CN1CC[NH+]([C@H]2CCCCN(C(=O)Nc3ccccc3N3CC[NH+](C)CC3)C2)CC1	ZINC000089382793	569058835	/nfs/dbraw/zinc/05/88/35/569058835.db2.gz	QTRVALKNWRMIJX-FQEVSTJZSA-N	2	0	414.598	2.072	50	0		HEAARP
CN(C(=O)[C@H]1CC(=O)N(C2CC[NH+](Cc3ccccc3)CC2)C1)C1CC[NH+](C)CC1	ZINC000034918896	557483325	/nfs/dbraw/zinc/48/33/25/557483325.db2.gz	KWKQCYALXWYTFN-FQEVSTJZSA-N	2	0	412.578	2.052	50	0		HEAARP
CC[NH+]1CCN(C[C@H](O)COc2cccc(C[NH2+]CCCc3cccnc3)c2)CC1	ZINC000020109808	558335063	/nfs/dbraw/zinc/33/50/63/558335063.db2.gz	GUWWUCOUTFVGON-QHCPKHFHSA-N	2	0	412.578	2.181	50	0		HEAARP
CN(Cc1ccco1)C(=O)c1nn(C)c2c1C[C@H]([NH2+]CC(C)(C)C[NH+](C)C)CC2	ZINC000020234032	558350466	/nfs/dbraw/zinc/35/04/66/558350466.db2.gz	VIHGBGBQAAQAPS-MRXNPFEDSA-N	2	0	401.555	2.320	50	0		HEAARP
COc1ccc(C[NH2+]CCOc2cccnc2)cc1OC[C@@H](O)C[NH+]1CCCCC1	ZINC000012304430	558373518	/nfs/dbraw/zinc/37/35/18/558373518.db2.gz	LCQCEHXPINQCNF-FQEVSTJZSA-N	2	0	415.534	2.484	50	0		HEAARP
COc1ccc(C[NH2+]Cc2ccccc2C)c(OC[C@@H](O)CN2CC[NH+](C)CC2)c1	ZINC000022852947	558517062	/nfs/dbraw/zinc/51/70/62/558517062.db2.gz	IGBHTUAZWCQBFF-QFIPXVFZSA-N	2	0	413.562	2.281	50	0		HEAARP
COc1ccc(C[NH2+]Cc2ccc(F)cc2)cc1OC[C@@H](O)CN1CC[NH+](C)CC1	ZINC000022919299	558522139	/nfs/dbraw/zinc/52/21/39/558522139.db2.gz	DLROBHIQXIQCEP-NRFANRHFSA-N	2	0	417.525	2.111	50	0		HEAARP
C[NH+](C)CCCNC(=O)[C@@H]1C[C@H](C[NH+]2CCCC2)C[N@H+](CCc2ccccc2)C1	ZINC000014753323	558671282	/nfs/dbraw/zinc/67/12/82/558671282.db2.gz	XPMWABKQZCXKOA-DHIUTWEWSA-N	3	0	400.611	2.331	50	0		HEAARP
C[NH+](C)CCNC(=O)[C@@H]1C[C@@H](Sc2ccccn2)C[N@@H+]1C1Cc2ccccc2C1	ZINC000014993199	558695266	/nfs/dbraw/zinc/69/52/66/558695266.db2.gz	LQVTZYOCSZMEHB-RTWAWAEBSA-N	2	0	410.587	2.462	50	0		HEAARP
COC(=O)C1CC[NH+](C[C@H](O)COc2cccc(C[NH2+]CCCSC)c2)CC1	ZINC000076863357	558997899	/nfs/dbraw/zinc/99/78/99/558997899.db2.gz	LKZLJPHUXHBAEG-IBGZPJMESA-N	2	0	410.580	2.154	50	0		HEAARP
C[NH+](C)C1CCN(C(=O)[C@@H]2CCC[N@@H+](C3CCN(Cc4ccncc4)CC3)C2)CC1	ZINC000091462557	559071865	/nfs/dbraw/zinc/07/18/65/559071865.db2.gz	XCTHESPGLBMOMO-OAQYLSRUSA-N	2	0	413.610	2.311	50	0		HEAARP
COc1ccc(C[NH2+]Cc2ccccc2C)cc1OC[C@H](O)CN1CC[NH+](C)CC1	ZINC000019744331	558264710	/nfs/dbraw/zinc/26/47/10/558264710.db2.gz	UKBZDDJXMUEPMS-JOCHJYFZSA-N	2	0	413.562	2.281	50	0		HEAARP
CC[N@@H+]1CCC[C@H]1CN(CC1CC[NH+](CCOC)CC1)C(=O)c1cnc(C)cn1	ZINC000011844240	558288934	/nfs/dbraw/zinc/28/89/34/558288934.db2.gz	YMPFTOXMAKRVSX-FQEVSTJZSA-N	2	0	403.571	2.070	50	0		HEAARP
CC[N@@H+]1CCC[C@@H]1CN(CC1CC[NH+](CCOC)CC1)C(=O)CCN1CCCCO1	ZINC000012075322	558319412	/nfs/dbraw/zinc/31/94/12/558319412.db2.gz	BVLLKQOXWJDCKT-JOCHJYFZSA-N	2	0	424.630	2.075	50	0		HEAARP
COC(=O)C1CC[NH+](C[C@H](O)COc2ccc(C[NH2+]CCCOC(C)C)cc2)CC1	ZINC000012430730	558405491	/nfs/dbraw/zinc/40/54/91/558405491.db2.gz	FRDTYKNEABEXIX-NRFANRHFSA-N	2	0	422.566	2.216	50	0		HEAARP
Cc1nc(CC[NH2+]Cc2cccc(OC[C@H](O)C[NH+]3CCC(O)CC3)c2)sc1C	ZINC000012440074	558411529	/nfs/dbraw/zinc/41/15/29/558411529.db2.gz	ZJCYSKJDTUDZSZ-HXUWFJFHSA-N	2	0	419.591	2.289	50	0		HEAARP
COc1cc(C[NH2+]Cc2ccccc2)ccc1OC[C@@H](O)C[NH+]1CCC(O)CC1	ZINC000012593118	558436394	/nfs/dbraw/zinc/43/63/94/558436394.db2.gz	QOKJNZXDOGMZLA-NRFANRHFSA-N	2	0	400.519	2.181	50	0		HEAARP
COc1ccc(C[N@H+](C)Cc2cccs2)cc1OC[C@H](O)CN1CC[NH+](C)CC1	ZINC000022913788	558520608	/nfs/dbraw/zinc/52/06/08/558520608.db2.gz	GBKFNHIEZUGOMQ-LJQANCHMSA-N	2	0	419.591	2.376	50	0		HEAARP
O=C(CCN(CC[NH+]1CCCCC1)C(=O)c1ccc(F)c(Cl)c1)N1CC[NH2+]CC1	ZINC000035422063	558791696	/nfs/dbraw/zinc/79/16/96/558791696.db2.gz	PIWXGESYSXYXSN-UHFFFAOYSA-N	2	0	424.948	2.229	50	0		HEAARP
Cc1cccc(C(=O)N(CCC(=O)N2CC[NH2+]CC2)CC[N@H+]2CCCC[C@@H]2C)c1	ZINC000035422026	558791811	/nfs/dbraw/zinc/79/18/11/558791811.db2.gz	WTYUNURDYCSXOJ-FQEVSTJZSA-N	2	0	400.567	2.134	50	0		HEAARP
Cn1ccnc1CNC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](C3Cc4ccccc4C3)CC2)C1	ZINC000091872626	559074446	/nfs/dbraw/zinc/07/44/46/559074446.db2.gz	BILAHSCMNRHNLC-OAQYLSRUSA-N	2	0	421.589	2.380	50	0		HEAARP
CNC(=O)C(C)(C)NC(=O)[C@H]1CCC[N@@H+](C2CCN(CCc3ccccc3)CC2)C1	ZINC000091974078	559074797	/nfs/dbraw/zinc/07/47/97/559074797.db2.gz	NVFNHFCLSNOZRD-FQEVSTJZSA-N	2	0	414.594	2.046	50	0		HEAARP
CC(=O)N1CCC[C@H]([NH2+]C2CCN(c3cc(C)[nH+]c(N4CCCCC4)n3)CC2)C1	ZINC000095500601	559082267	/nfs/dbraw/zinc/08/22/67/559082267.db2.gz	SBJVKSJVBGRUBL-FQEVSTJZSA-N	2	0	400.571	2.345	50	0		HEAARP
CC[NH+]1CCN(Cn2c3ccccc3n(CN3CC[NH+](CC)CC3)c2=S)CC1	ZINC000022595973	568487214	/nfs/dbraw/zinc/48/72/14/568487214.db2.gz	SWIVNSADMQPDKL-UHFFFAOYSA-N	2	0	402.612	2.362	50	0		HEAARP
O[C@@H](COc1cccc(C[NH2+]CCCN2CCOCC2)c1)C[NH+]1CCCCCC1	ZINC000019223929	569414477	/nfs/dbraw/zinc/41/44/77/569414477.db2.gz	FKAPUPHXMLVRGF-JOCHJYFZSA-N	2	0	405.583	2.114	50	0		HEAARP
COC(=O)C1CC[NH+](C[C@@H](O)COc2cccc(C[NH2+]CCCSC)c2)CC1	ZINC000076863360	522916903	/nfs/dbraw/zinc/91/69/03/522916903.db2.gz	LKZLJPHUXHBAEG-LJQANCHMSA-N	2	0	410.580	2.154	50	0		HEAARP
COc1ccc(CN2CC[NH+](C(C)C)CC2)cc1OC[C@H](O)C[NH+]1CCCCC1	ZINC000020996491	558427215	/nfs/dbraw/zinc/42/72/15/558427215.db2.gz	ZPZACAAWBDNKJK-OAQYLSRUSA-N	2	0	405.583	2.447	50	0		HEAARP
COc1cc(C[NH2+]Cc2ccccc2F)ccc1OC[C@@H](O)C[NH+]1CCC(O)CC1	ZINC000012570641	558428744	/nfs/dbraw/zinc/42/87/44/558428744.db2.gz	XQDLKMSWXASQAT-FQEVSTJZSA-N	2	0	418.509	2.321	50	0		HEAARP
CCc1ccc(C[N@H+]2CCc3nnc([C@H](C)NC(=O)C4CC[NH+](C)CC4)n3CC2)o1	ZINC000015004459	558698810	/nfs/dbraw/zinc/69/88/10/558698810.db2.gz	FGUWZDVZLCHPPS-INIZCTEOSA-N	2	0	414.554	2.011	50	0		HEAARP
COc1ccc(CC[N@@H+]2CCC[C@H](CN(C)C(=O)CC[NH+]3CCN(C)CC3)C2)cc1	ZINC000019336713	558870105	/nfs/dbraw/zinc/87/01/05/558870105.db2.gz	IZNQIONPWQYPIK-JOCHJYFZSA-N	2	0	416.610	2.046	50	0		HEAARP
COCC[N@H+](C)CCN1CC2(CC[NH+](Cc3ccc4c(c3)C[C@H](C)O4)CC2)OC1=O	ZINC000072447111	558982604	/nfs/dbraw/zinc/98/26/04/558982604.db2.gz	AVRRVYGRCYEHEH-SFHVURJKSA-N	2	0	417.550	2.375	50	0		HEAARP
CNC(=O)[C@@H]1C[C@H](n2cc(-c3ccc(C[NH+]4Cc5ccccc5C4)cc3)nn2)C[NH2+]1	ZINC000067695240	558991766	/nfs/dbraw/zinc/99/17/66/558991766.db2.gz	ZQMNKQSPZZXDJL-SFTDATJTSA-N	2	0	402.502	2.110	50	0		HEAARP
CNC(=O)[C@@H]1C[C@@H](n2cc(-c3ccc(C[NH+]4Cc5ccccc5C4)cc3)nn2)C[NH2+]1	ZINC000067818396	558993403	/nfs/dbraw/zinc/99/34/03/558993403.db2.gz	ZQMNKQSPZZXDJL-RTWAWAEBSA-N	2	0	402.502	2.110	50	0		HEAARP
COc1cc2c(cc1C[N@@H+]1CC[C@H](N3CC[NH+](C)CC3)[C@H](CCCO)C1)CCC2	ZINC000095375365	559080379	/nfs/dbraw/zinc/08/03/79/559080379.db2.gz	ZJEZKIRLLCJQHJ-GGAORHGYSA-N	2	0	401.595	2.394	50	0		HEAARP
COc1ccc(OC[C@@H](O)C[NH+](C)C)c(C[NH+]2CCC(c3ccncn3)CC2)c1	ZINC000095517541	559084772	/nfs/dbraw/zinc/08/47/72/559084772.db2.gz	OFKNWQSAFHPAGY-IBGZPJMESA-N	2	0	400.523	2.166	50	0		HEAARP
CN(CCCCCCN(C)C(=O)Oc1ccc[n+](C)c1)C(=O)Oc1ccc[n+](C)c1	ZINC000003872328	568933494	/nfs/dbraw/zinc/93/34/94/568933494.db2.gz	AHZBEVXBKNYXPU-UHFFFAOYSA-N	2	0	416.522	2.457	50	0	in-man	HEAARP
COc1ccc(C[N@H+](C)CCc2cnn(C)c2)cc1OC[C@H](O)C[NH+]1CCCCC1	ZINC000011817835	558281165	/nfs/dbraw/zinc/28/11/65/558281165.db2.gz	BVQRBIVOSWIEKK-OAQYLSRUSA-N	2	0	416.566	2.329	50	0		HEAARP
O[C@@H](COc1ccccc1CN1CC[NH+](CC2CC2)CC1)C[NH+]1CCSCC1	ZINC000019788489	558282025	/nfs/dbraw/zinc/28/20/25/558282025.db2.gz	OMYKIIJJBRDWNZ-OAQYLSRUSA-N	2	0	405.608	2.003	50	0		HEAARP
COc1ccc(C[NH2+]CC2CCCCC2)c(OC[C@@H](O)CN2CC[NH+](C)CC2)c1	ZINC000020992384	558426255	/nfs/dbraw/zinc/42/62/55/558426255.db2.gz	ZJWLLXGXFFFYBL-NRFANRHFSA-N	2	0	405.583	2.352	50	0		HEAARP
CC(=O)NCCNC(=O)C1CC[NH+](C2CC[NH+](CCCc3ccccc3)CC2)CC1	ZINC000012760210	558460830	/nfs/dbraw/zinc/46/08/30/558460830.db2.gz	MAWWZVULOFLWHY-UHFFFAOYSA-N	2	0	414.594	2.048	50	0		HEAARP
CC(C)C[N@H+]1C[C@H](C(=O)Nc2ccc(F)cc2)C[C@H](C(=O)NCCC[NH+](C)C)C1	ZINC000014733863	558666270	/nfs/dbraw/zinc/66/62/70/558666270.db2.gz	KDWKJMGFOQVWHF-ZWKOTPCHSA-N	2	0	406.546	2.426	50	0		HEAARP
Cc1cc(C)cc(C(=O)N(CCC[NH+]2CCCCC2)CCC(=O)N2CC[NH2+]CC2)c1	ZINC000035422005	558791428	/nfs/dbraw/zinc/79/14/28/558791428.db2.gz	CCPJLEZHRCMPEG-UHFFFAOYSA-N	2	0	414.594	2.444	50	0		HEAARP
C[C@H]1CCCC[N@@H+]1CCN(CCC(=O)N1CC[NH2+]CC1)C(=O)c1ccc(Cl)cc1	ZINC000035422039	558791879	/nfs/dbraw/zinc/79/18/79/558791879.db2.gz	AOOBMHJPGAYGLX-SFHVURJKSA-N	2	0	420.985	2.479	50	0		HEAARP
Cc1c[nH+]ccc1N1CC[NH+](C[C@]2(O)CCCN(CC3CCCCC3)C2=O)CC1	ZINC000067712743	558991694	/nfs/dbraw/zinc/99/16/94/558991694.db2.gz	PUNHVVBBRVJSCP-HSZRJFAPSA-N	2	0	400.567	2.446	50	0		HEAARP
O=C(NCC[NH+]1CCCCC1)[C@H]1CCC[N@@H+](C2CCN(Cc3cccnc3)CC2)C1	ZINC000082166396	559041988	/nfs/dbraw/zinc/04/19/88/559041988.db2.gz	KSPHGHSUGSJJKQ-QFIPXVFZSA-N	2	0	413.610	2.360	50	0		HEAARP
CC(C)(C(=O)Nc1cccc(NC(=O)C[NH+]2CCCCCC2)c1)N1CC[NH2+]CC1	ZINC000170678053	569298070	/nfs/dbraw/zinc/29/80/70/569298070.db2.gz	XOXFNRNSOHLEPY-UHFFFAOYSA-N	2	0	401.555	2.123	50	0		HEAARP
COc1ccc(C[NH+]2CCC3(C[C@H](C(=O)N4CCOCC4)[N@H+](C)C3)CC2)cc1C	ZINC000581802926	1078772429	/nfs/dbraw/zinc/77/24/29/1078772429.db2.gz	RJHLCWKYBYUTQK-HXUWFJFHSA-N	2	0	401.551	2.149	50	0		HEAARP
CC[NH+]1CCN(C[C@@H](O)COc2cccc(C[NH2+]CCc3cccc(C)n3)c2)CC1	ZINC000020535695	521684926	/nfs/dbraw/zinc/68/49/26/521684926.db2.gz	PMIYFNZSBNJNRH-HSZRJFAPSA-N	2	0	412.578	2.100	50	0		HEAARP
COc1ccc(C[NH2+]CCc2cnccn2)cc1OC[C@H](O)C[NH+]1CCCCC1	ZINC000020540429	524071114	/nfs/dbraw/zinc/07/11/14/524071114.db2.gz	XKZUFVZRROZRJX-HXUWFJFHSA-N	2	0	400.523	2.043	50	0		HEAARP
Cc1nc(SCC[NH2+]Cc2ccccc2OC[C@@H](O)C[NH+]2CCCCC2)n[nH]1	ZINC000012093194	558324798	/nfs/dbraw/zinc/32/47/98/558324798.db2.gz	RDUNDLJCSKYEDO-SFHVURJKSA-N	2	0	405.568	2.221	50	0		HEAARP
COc1ccc(C[NH2+]CCOc2cccnc2)cc1OC[C@H](O)C[NH+]1CCCCC1	ZINC000012304431	558373664	/nfs/dbraw/zinc/37/36/64/558373664.db2.gz	LCQCEHXPINQCNF-HXUWFJFHSA-N	2	0	415.534	2.484	50	0		HEAARP
COc1ccc(C(=O)NCC[N@@H+]2CCC[C@@H](O)C2)cc1OC1CC[NH+](C(C)C)CC1	ZINC000012592358	558436149	/nfs/dbraw/zinc/43/61/49/558436149.db2.gz	HTFRFKIUVPZNJH-LJQANCHMSA-N	2	0	419.566	2.133	50	0		HEAARP
O[C@@H](COc1cccc(C[NH2+]Cc2ccc(F)cc2F)c1)C[NH+]1CCC(O)CC1	ZINC000015077475	558717132	/nfs/dbraw/zinc/71/71/32/558717132.db2.gz	KOWFBKKCEVLLFO-HXUWFJFHSA-N	2	0	406.473	2.451	50	0		HEAARP
Cc1c(C(=O)NCCC[NH+]2CCCCC2)sc2ncnc(N3CC[NH+](C)CC3)c12	ZINC000033048292	558885209	/nfs/dbraw/zinc/88/52/09/558885209.db2.gz	QFJIZYNGISDASY-UHFFFAOYSA-N	2	0	416.595	2.357	50	0		HEAARP
CN(C(=O)[C@@H]1CCC[N@@H+](C2CCN(Cc3cccnc3)CC2)C1)C1CC[NH+](C)CC1	ZINC000091270515	559070863	/nfs/dbraw/zinc/07/08/63/559070863.db2.gz	KIQZOCWMRIKZFR-OAQYLSRUSA-N	2	0	413.610	2.311	50	0		HEAARP
CC[N@@H+]1CCC[C@@H]1CN(CC1CC[NH+](CCOC)CC1)C(=O)c1cnc(C)cn1	ZINC000011844239	558289012	/nfs/dbraw/zinc/28/90/12/558289012.db2.gz	YMPFTOXMAKRVSX-HXUWFJFHSA-N	2	0	403.571	2.070	50	0		HEAARP
CC[NH+](CC)C[C@@H](O)COc1cc(C[N@H+](CC)CCn2cccn2)ccc1OC	ZINC000012430693	558405301	/nfs/dbraw/zinc/40/53/01/558405301.db2.gz	BMAQCKBOSGIIDR-HXUWFJFHSA-N	2	0	404.555	2.495	50	0		HEAARP
CC[NH+]1CCN(CC(=O)N(C)C[C@H]2CCC[N@H+](CCc3ccccc3C)C2)CC1	ZINC000020915164	558422817	/nfs/dbraw/zinc/42/28/17/558422817.db2.gz	PKRMKEGZEJWFBD-JOCHJYFZSA-N	2	0	400.611	2.345	50	0		HEAARP
COc1cc(C[NH2+]CCn2nc(C)cc2C)ccc1OC[C@H](O)C[N@H+](C)C(C)C	ZINC000012756975	558460331	/nfs/dbraw/zinc/46/03/31/558460331.db2.gz	JKSSORSUDSJNIW-HXUWFJFHSA-N	2	0	404.555	2.378	50	0		HEAARP
O=C(NC1CC[NH2+]CC1)[C@@H]1CCC[N@@H+](C2CC[NH+](C3Cc4ccccc4C3)CC2)C1	ZINC000082136736	559040155	/nfs/dbraw/zinc/04/01/55/559040155.db2.gz	QSWMSPFZFOJOHC-OAQYLSRUSA-N	3	0	410.606	2.198	50	0		HEAARP
COc1ccccc1C[N@@H+]1CCC[C@@H](CN(CC[NH+](C)C)C(=O)Cn2ccnc2)C1	ZINC000011816567	558279983	/nfs/dbraw/zinc/27/99/83/558279983.db2.gz	FOBVDXBVNCGBGD-HXUWFJFHSA-N	2	0	413.566	2.194	50	0		HEAARP
COc1ccccc1C[N@@H+]1CCC[C@@H](CN(CC[NH+](C)C)C(=O)c2ccnn2C)C1	ZINC000011878588	558293175	/nfs/dbraw/zinc/29/31/75/558293175.db2.gz	KOMLSDSLVYFMJJ-LJQANCHMSA-N	2	0	413.566	2.345	50	0		HEAARP
CC[N@H+](CCO)Cc1ccc(OC)c(OC[C@@H](O)C[NH+](C)Cc2ccccc2)c1	ZINC000012112148	558326539	/nfs/dbraw/zinc/32/65/39/558326539.db2.gz	BJTVYJBJPUFSCD-NRFANRHFSA-N	2	0	402.535	2.381	50	0		HEAARP
COc1cc(C[NH2+]CCn2nc(C)cc2C)ccc1OC[C@@H](O)C[N@H+](C)C(C)C	ZINC000012756971	558460322	/nfs/dbraw/zinc/46/03/22/558460322.db2.gz	JKSSORSUDSJNIW-FQEVSTJZSA-N	2	0	404.555	2.378	50	0		HEAARP
COc1ccc(C[N@H+](C)Cc2cccs2)cc1OC[C@@H](O)CN1CC[NH+](C)CC1	ZINC000022913782	558520521	/nfs/dbraw/zinc/52/05/21/558520521.db2.gz	GBKFNHIEZUGOMQ-IBGZPJMESA-N	2	0	419.591	2.376	50	0		HEAARP
CC(C)CCN1C(=O)N(CC[NH+](C)C)C(=O)C12CC[NH+](Cc1ccncc1)CC2	ZINC000014748634	558669987	/nfs/dbraw/zinc/66/99/87/558669987.db2.gz	KSQFUBDSCQQFOK-UHFFFAOYSA-N	2	0	401.555	2.288	50	0		HEAARP
Cn1nccc1C(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@H+](Cc2ccccc2F)C1	ZINC000014960815	558683858	/nfs/dbraw/zinc/68/38/58/558683858.db2.gz	XDLKBFFFGCMXJB-SFHVURJKSA-N	2	0	401.530	2.475	50	0		HEAARP
C[C@@H](CC(C)(C)O)[NH+]1CCC([NH+]2CCC(C(=O)NCc3ccccn3)CC2)CC1	ZINC000015066617	558709754	/nfs/dbraw/zinc/70/97/54/558709754.db2.gz	DDOMMARIMNBOHV-SFHVURJKSA-N	2	0	402.583	2.424	50	0		HEAARP
Cc1cc(C)cc(C(=O)N(CCC(=O)N2CC[NH2+]CC2)CC[N@H+]2CCCC[C@H]2C)c1	ZINC000035422033	558791779	/nfs/dbraw/zinc/79/17/79/558791779.db2.gz	IWBLPBOGBOWJBF-OAQYLSRUSA-N	2	0	414.594	2.442	50	0		HEAARP
Cc1cccc(C(=O)N(CCC(=O)N2CC[NH2+]CC2)CC[N@H+]2CCCC[C@H]2C)c1	ZINC000035422027	558791788	/nfs/dbraw/zinc/79/17/88/558791788.db2.gz	WTYUNURDYCSXOJ-HXUWFJFHSA-N	2	0	400.567	2.134	50	0		HEAARP
Cc1c[nH+]ccc1N1CC[NH+](C[C@@]2(O)CCCN(CC3CCCCC3)C2=O)CC1	ZINC000067712744	558991739	/nfs/dbraw/zinc/99/17/39/558991739.db2.gz	PUNHVVBBRVJSCP-QHCPKHFHSA-N	2	0	400.567	2.446	50	0		HEAARP
COc1ccc(OC[C@H](O)C[NH+](C)C)c(C[NH+]2CCC(c3ccncn3)CC2)c1	ZINC000095517542	559084767	/nfs/dbraw/zinc/08/47/67/559084767.db2.gz	OFKNWQSAFHPAGY-LJQANCHMSA-N	2	0	400.523	2.166	50	0		HEAARP
Cc1cccc(CN2CCC([NH+]3CCC(C(=O)N4CC[C@@H]([NH+](C)C)C4)CC3)CC2)n1	ZINC000055153633	569391468	/nfs/dbraw/zinc/39/14/68/569391468.db2.gz	KEVAWTFLFXTJAD-HSZRJFAPSA-N	2	0	413.610	2.229	50	0		HEAARP
C[NH+](C)CCn1c2cc(F)ccc2cc(C[NH+]2CCN(c3ccccn3)CC2)c1=O	ZINC000012278955	535932670	/nfs/dbraw/zinc/93/26/70/535932670.db2.gz	BJAJLPFZTINPHB-UHFFFAOYSA-N	2	0	409.509	2.419	50	0		HEAARP
CN(Cc1ccco1)C(=O)c1nn(C)c2c1C[C@@H]([NH2+]CC(C)(C)C[NH+](C)C)CC2	ZINC000020234035	558350429	/nfs/dbraw/zinc/35/04/29/558350429.db2.gz	VIHGBGBQAAQAPS-INIZCTEOSA-N	2	0	401.555	2.320	50	0		HEAARP
O[C@H](COc1ccccc1C[NH2+]CCOc1cccnc1)C[NH+]1CCSCC1	ZINC000012308494	558376675	/nfs/dbraw/zinc/37/66/75/558376675.db2.gz	XCDNKZHUVLQHEN-IBGZPJMESA-N	2	0	403.548	2.039	50	0		HEAARP
COc1ccc(C[NH2+]C2CCCCCC2)c(OC[C@@H](O)CN2CC[NH+](C)CC2)c1	ZINC000020779282	558412409	/nfs/dbraw/zinc/41/24/09/558412409.db2.gz	ARJSSUZQZQNEJF-NRFANRHFSA-N	2	0	405.583	2.495	50	0		HEAARP
COc1ccc(C[NH2+]Cc2cn(C)nc2C)cc1OC[C@H](O)C[NH+]1CCCCC1	ZINC000012453416	558416369	/nfs/dbraw/zinc/41/63/69/558416369.db2.gz	HPTOHMXBMUWZRR-HXUWFJFHSA-N	2	0	402.539	2.253	50	0		HEAARP
COc1cc(C[N@H+](C)CCn2nc(C)cc2C)ccc1OC[C@H](O)C[NH+]1CCCC1	ZINC000012476572	558422845	/nfs/dbraw/zinc/42/28/45/558422845.db2.gz	VGFMYPGFYPYQEG-OAQYLSRUSA-N	2	0	416.566	2.476	50	0		HEAARP
COc1ccc(C[NH2+]CCc2ccccc2)c(OC[C@@H](O)CN2CC[NH+](C)CC2)c1	ZINC000020993547	558426187	/nfs/dbraw/zinc/42/61/87/558426187.db2.gz	OOUTVJNESRGADL-QFIPXVFZSA-N	2	0	413.562	2.015	50	0		HEAARP
CC[NH+]1CCN(c2ncc(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)c(C)n2)CC1	ZINC000015778137	558752619	/nfs/dbraw/zinc/75/26/19/558752619.db2.gz	UCLVFWWSWQNDLL-UHFFFAOYSA-N	2	0	422.577	2.321	50	0		HEAARP
C[NH+](C[C@@H](O)COc1ccccc1C[N@H+](C)CCN1CCOCC1)C1CCCCC1	ZINC000019227617	558852818	/nfs/dbraw/zinc/85/28/18/558852818.db2.gz	VKRCSOKSBIJLCS-HSZRJFAPSA-N	2	0	419.610	2.455	50	0		HEAARP
CC(C)C[N@H+](C)CCCN1CC2(CCN(C(=O)[C@@H]3CCC[NH+](C)C3)CC2)OC1=O	ZINC000072470254	558983585	/nfs/dbraw/zinc/98/35/85/558983585.db2.gz	LAGMTOLABNLYQV-LJQANCHMSA-N	2	0	408.587	2.120	50	0		HEAARP
O=C([C@H]1CCC[N@@H+](C2CC[NH+](C3Cc4ccccc4C3)CC2)C1)N1CCC(O)CC1	ZINC000091736515	559073344	/nfs/dbraw/zinc/07/33/44/559073344.db2.gz	IVZCRAFITVSBOW-NRFANRHFSA-N	2	0	411.590	2.314	50	0		HEAARP
CNC(=O)C(C)(C)NC(=O)[C@@H]1CCC[N@@H+](C2CCN(CCc3ccccc3)CC2)C1	ZINC000091974077	559074842	/nfs/dbraw/zinc/07/48/42/559074842.db2.gz	NVFNHFCLSNOZRD-HXUWFJFHSA-N	2	0	414.594	2.046	50	0		HEAARP
COC[C@@]12CC[C@@H]([NH+]3CCOCC3)C[C@H]1CC[N@H+](CC(=O)Nc1ccccc1)C2	ZINC000095360078	559079890	/nfs/dbraw/zinc/07/98/90/559079890.db2.gz	IWQOINXOROKDSZ-LSWJPFSZSA-N	2	0	401.551	2.465	50	0		HEAARP
COc1cc(CN2CC([NH+]3CCCCC3)C2)ccc1OC[C@H](O)C[NH+]1CCCC1	ZINC000095522782	559085644	/nfs/dbraw/zinc/08/56/44/559085644.db2.gz	HOPYVAXMNLBEQK-OAQYLSRUSA-N	2	0	403.567	2.201	50	0		HEAARP
COc1ccc(CN2CC([NH+]3CCCCC3)C2)c(OC[C@H](O)C[NH+]2CCCC2)c1	ZINC000095527029	559086139	/nfs/dbraw/zinc/08/61/39/559086139.db2.gz	DGUJRWOLRFEMBR-OAQYLSRUSA-N	2	0	403.567	2.201	50	0		HEAARP
COc1cc(C[NH2+]CCc2ccccn2)ccc1OC[C@@H](O)C[NH+]1CCSCC1	ZINC000012315493	568466871	/nfs/dbraw/zinc/46/68/71/568466871.db2.gz	OYMICVGPXKIRCF-FQEVSTJZSA-N	2	0	417.575	2.211	50	0		HEAARP
C[NH+](C)CC(C)(C)C[NH+]1CCC(N2C[C@@H](COc3ccc(F)cc3)OCC2=O)CC1	ZINC000299791558	568875840	/nfs/dbraw/zinc/87/58/40/568875840.db2.gz	GYTMNVZRJNMDAH-NRFANRHFSA-N	2	0	421.557	2.484	50	0		HEAARP
O[C@H](COc1cccc(C[NH2+]CCCN2CCOCC2)c1)C[NH+]1CCCCCC1	ZINC000019223933	569414467	/nfs/dbraw/zinc/41/44/67/569414467.db2.gz	FKAPUPHXMLVRGF-QFIPXVFZSA-N	2	0	405.583	2.114	50	0		HEAARP
COc1cc(CN2CC[NH+](C)CC2)ccc1OC[C@@H](O)C[N@H+](C)C1CCCCC1	ZINC000020542961	522381300	/nfs/dbraw/zinc/38/13/00/522381300.db2.gz	KBDZUCCZIBBLJN-NRFANRHFSA-N	2	0	405.583	2.447	50	0		HEAARP
COc1ccc(C[NH2+]CC2CCCCC2)c(OC[C@H](O)CN2CC[NH+](C)CC2)c1	ZINC000020992387	558426136	/nfs/dbraw/zinc/42/61/36/558426136.db2.gz	ZJWLLXGXFFFYBL-OAQYLSRUSA-N	2	0	405.583	2.352	50	0		HEAARP
O=C([C@@H]1CCC[N@@H+](C2CC[NH+](C3Cc4ccccc4C3)CC2)C1)N1CCC[NH2+]CC1	ZINC000082097426	559037563	/nfs/dbraw/zinc/03/75/63/559037563.db2.gz	MLQWLNPJUUMGQD-JOCHJYFZSA-N	3	0	410.606	2.152	50	0		HEAARP
COc1ccc(CN2CC([NH+]3CCCCC3)C2)c(OC[C@@H](O)C[NH+]2CCCC2)c1	ZINC000095527030	559086116	/nfs/dbraw/zinc/08/61/16/559086116.db2.gz	DGUJRWOLRFEMBR-NRFANRHFSA-N	2	0	403.567	2.201	50	0		HEAARP
COc1ccc(CN2CC[NH+](C)CC2)c(OC[C@@H](O)C[NH+]2CCCCCCC2)c1	ZINC000023373923	568915766	/nfs/dbraw/zinc/91/57/66/568915766.db2.gz	CREFWDVWJYZUCC-NRFANRHFSA-N	2	0	405.583	2.448	50	0		HEAARP
COc1ccccc1C[N@@H+]1CCC[C@H](CN(CC[NH+](C)C)C(=O)Cn2ccnc2)C1	ZINC000011816568	558279997	/nfs/dbraw/zinc/27/99/97/558279997.db2.gz	FOBVDXBVNCGBGD-FQEVSTJZSA-N	2	0	413.566	2.194	50	0		HEAARP
COc1cc(CN2CC[NH+](CC3CC3)CC2)ccc1OC[C@@H](O)C[N@H+](C)C(C)C	ZINC000020992939	558426128	/nfs/dbraw/zinc/42/61/28/558426128.db2.gz	JYDWTNLIGJZXEK-NRFANRHFSA-N	2	0	405.583	2.303	50	0		HEAARP
O[C@H](COc1ccccc1CN1CC[NH+](CC2CC2)CC1)C[NH+]1CCSCC1	ZINC000019788492	558281975	/nfs/dbraw/zinc/28/19/75/558281975.db2.gz	OMYKIIJJBRDWNZ-NRFANRHFSA-N	2	0	405.608	2.003	50	0		HEAARP
O[C@H](COc1cccc(C[NH2+]Cc2ccc(F)c(F)c2)c1)C[NH+]1CCC(O)CC1	ZINC000011957607	558303882	/nfs/dbraw/zinc/30/38/82/558303882.db2.gz	IYJGPIJJSKFNFF-IBGZPJMESA-N	2	0	406.473	2.451	50	0		HEAARP
CC[N@H+](CCO)Cc1ccc(OC)c(OC[C@H](O)C[NH+](C)Cc2ccccc2)c1	ZINC000012112149	558326708	/nfs/dbraw/zinc/32/67/08/558326708.db2.gz	BJTVYJBJPUFSCD-OAQYLSRUSA-N	2	0	402.535	2.381	50	0		HEAARP
CC[NH+](CC)C[C@H](O)COc1cc(C[N@H+](CC)CCn2cccn2)ccc1OC	ZINC000012430694	558405221	/nfs/dbraw/zinc/40/52/21/558405221.db2.gz	BMAQCKBOSGIIDR-FQEVSTJZSA-N	2	0	404.555	2.495	50	0		HEAARP
COc1ccc(C[NH2+]C2CCCCCC2)c(OC[C@H](O)CN2CC[NH+](C)CC2)c1	ZINC000020779287	558412475	/nfs/dbraw/zinc/41/24/75/558412475.db2.gz	ARJSSUZQZQNEJF-OAQYLSRUSA-N	2	0	405.583	2.495	50	0		HEAARP
CC(C)Cn1nc(C(=O)N2CCOCC2)c2c1CC[C@H]([NH2+]CC(C)(C)C[NH+](C)C)C2	ZINC000014744060	558668328	/nfs/dbraw/zinc/66/83/28/558668328.db2.gz	ZSIJGMUDFDEDHD-SFHVURJKSA-N	2	0	419.614	2.046	50	0		HEAARP
CC(C)C[N@H+](C)CCCN1CC2(CCN(C(=O)[C@H]3CCC[NH+](C)C3)CC2)OC1=O	ZINC000072470256	558983561	/nfs/dbraw/zinc/98/35/61/558983561.db2.gz	LAGMTOLABNLYQV-IBGZPJMESA-N	2	0	408.587	2.120	50	0		HEAARP
O=C(N[C@@H]1C2CN3CC1(c1ccccc1)C[N@H+](C2)CC3)c1ccc(C[NH+]2CCCC2)o1	ZINC000670445197	568910822	/nfs/dbraw/zinc/91/08/22/568910822.db2.gz	PPKWORXXGQPLEY-UXVFNKRRSA-N	2	0	420.557	2.173	50	0		HEAARP
Cc1ccc(C(=O)N(CCC(=O)N2CC[NH2+]CC2)CC[N@H+]2CCCC[C@H]2C)cc1	ZINC000045966924	526070970	/nfs/dbraw/zinc/07/09/70/526070970.db2.gz	GTWIUQDSEQUWJM-HXUWFJFHSA-N	2	0	400.567	2.134	50	0		HEAARP
COc1ccc(OC[C@H](O)C[NH+]2CCC(O)CC2)c(C[NH2+]Cc2ccccc2C)c1	ZINC000011816497	558279833	/nfs/dbraw/zinc/27/98/33/558279833.db2.gz	NBXGWRQTBAWRIX-JOCHJYFZSA-N	2	0	414.546	2.490	50	0		HEAARP
COC(=O)CCC(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@H+](Cc2ccccc2OC)C1	ZINC000011818081	558281280	/nfs/dbraw/zinc/28/12/80/558281280.db2.gz	LRKJQZLUYDZVGV-IBGZPJMESA-N	2	0	419.566	2.251	50	0		HEAARP
COc1ccc(C[NH2+]Cc2ccc(C)s2)c(OC[C@H](O)CN2CC[NH+](C)CC2)c1	ZINC000020878098	558419666	/nfs/dbraw/zinc/41/96/66/558419666.db2.gz	ZWHXIYDJMQBEEG-LJQANCHMSA-N	2	0	419.591	2.342	50	0		HEAARP
CC[NH+](CC)C[C@@H](O)COc1ccc(C[NH2+]CCn2nc(C)cc2C)cc1OC	ZINC000012463585	558419792	/nfs/dbraw/zinc/41/97/92/558419792.db2.gz	KRTCWMHZCSUWCO-HXUWFJFHSA-N	2	0	404.555	2.380	50	0		HEAARP
Cc1cc(C)cc(C(=O)N(CCC(=O)N2CC[NH2+]CC2)CC[NH+]2CCCCC2)c1	ZINC000035422057	558791861	/nfs/dbraw/zinc/79/18/61/558791861.db2.gz	HOBDHTSQEUPUFQ-UHFFFAOYSA-N	2	0	400.567	2.053	50	0		HEAARP
Cn1ccnc1C(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@H+](Cc2ccccc2F)C1	ZINC000095510058	559083649	/nfs/dbraw/zinc/08/36/49/559083649.db2.gz	FKZOWITUNAZEEM-GOSISDBHSA-N	2	0	401.530	2.475	50	0		HEAARP
CNC(=O)C1(C)CC[NH+](Cc2ccc(OC[C@@H](O)C[NH+]3CCCCC3)cc2)CC1	ZINC000095524650	559085853	/nfs/dbraw/zinc/08/58/53/559085853.db2.gz	DZTVAHXJTYNMHR-FQEVSTJZSA-N	2	0	403.567	2.260	50	0		HEAARP
Cc1cccc(C(=O)N(CCC[NH+]2CCCCC2)CCC(=O)N2CC[NH2+]CC2)c1	ZINC000045966903	524163902	/nfs/dbraw/zinc/16/39/02/524163902.db2.gz	CBTAXRZSMFGBES-UHFFFAOYSA-N	2	0	400.567	2.135	50	0		HEAARP
COc1cc(C[NH2+]CCc2ccncc2)ccc1OC[C@@H](O)C[NH+]1CCSCC1	ZINC000011816521	558279874	/nfs/dbraw/zinc/27/98/74/558279874.db2.gz	URUABZVFPWIBGT-FQEVSTJZSA-N	2	0	417.575	2.211	50	0		HEAARP
O[C@@H](COc1cccc(C[NH2+]Cc2ccc(F)c(F)c2)c1)C[NH+]1CCC(O)CC1	ZINC000011957599	558303800	/nfs/dbraw/zinc/30/38/00/558303800.db2.gz	IYJGPIJJSKFNFF-LJQANCHMSA-N	2	0	406.473	2.451	50	0		HEAARP
CN(CC[NH+]1CCCC1)C(=O)[C@H]1CCC[N@@H+](C2CCN(Cc3cccnc3)CC2)C1	ZINC000082106625	559038302	/nfs/dbraw/zinc/03/83/02/559038302.db2.gz	LQKXBDJMACJRRH-QFIPXVFZSA-N	2	0	413.610	2.312	50	0		HEAARP
[NH3+]C1CCN(C(=O)[C@@H]2CCC[N@@H+](C3CC[NH+](C4Cc5ccccc5C4)CC3)C2)CC1	ZINC000082109339	559038799	/nfs/dbraw/zinc/03/87/99/559038799.db2.gz	HGKJHIYXUNKVED-OAQYLSRUSA-N	3	0	410.606	2.280	50	0		HEAARP
C[NH+](C)C1CCN(C(=O)[C@H]2CCC[N@@H+](C3CCN(Cc4ccncc4)CC3)C2)CC1	ZINC000091462559	559071796	/nfs/dbraw/zinc/07/17/96/559071796.db2.gz	XCTHESPGLBMOMO-NRFANRHFSA-N	2	0	413.610	2.311	50	0		HEAARP
CC[NH+]1CCC(N2CCC([N@@H+]3CCC[C@@H](C(=O)NCc4ccccn4)C3)CC2)CC1	ZINC000091845408	559074082	/nfs/dbraw/zinc/07/40/82/559074082.db2.gz	AFXSFUXCFJENLC-HXUWFJFHSA-N	2	0	413.610	2.359	50	0		HEAARP
CC(=O)N1CCC[C@@H]([NH2+]C2CCN(c3cc(C)[nH+]c(N4CCCCC4)n3)CC2)C1	ZINC000095500600	559082196	/nfs/dbraw/zinc/08/21/96/559082196.db2.gz	SBJVKSJVBGRUBL-HXUWFJFHSA-N	2	0	400.571	2.345	50	0		HEAARP
NC(=O)CC1CC[NH+](Cc2cccc(OC[C@H](O)C[NH+]3CCCCCC3)c2)CC1	ZINC000095509662	559083669	/nfs/dbraw/zinc/08/36/69/559083669.db2.gz	OQLULDQUYLLYAO-OAQYLSRUSA-N	2	0	403.567	2.390	50	0		HEAARP
O=C1CCCN1CCC[NH2+]Cc1cccc(OC[C@H](O)C[NH+]2CCCCCC2)c1	ZINC000011812781	559260258	/nfs/dbraw/zinc/26/02/58/559260258.db2.gz	HFPHDYZNBDYMJU-OAQYLSRUSA-N	2	0	403.567	2.404	50	0		HEAARP
Cn1cc(C[NH+]2CCC(Oc3ccc(C(=O)NCC[NH+](C)C)cc3Cl)CC2)cn1	ZINC000014963316	568487558	/nfs/dbraw/zinc/48/75/58/568487558.db2.gz	RHPXSYGRBCOJLJ-UHFFFAOYSA-N	2	0	419.957	2.408	50	0		HEAARP
[NH2+]=C1c2ccccc2CN1NC(=O)CCCCC(=O)NN1Cc2ccccc2C1=[NH2+]	ZINC000003288693	568872868	/nfs/dbraw/zinc/87/28/68/568872868.db2.gz	ZQKVFNCBFXDZJP-UHFFFAOYSA-N	2	0	404.474	2.292	50	0		HEAARP
COc1ccc(CN2CC[NH+](C)CC2)c(OC[C@H](O)C[NH+]2CCCCCCC2)c1	ZINC000023373926	568915909	/nfs/dbraw/zinc/91/59/09/568915909.db2.gz	CREFWDVWJYZUCC-OAQYLSRUSA-N	2	0	405.583	2.448	50	0		HEAARP
CC(C)(C[NH2+]C[C@@H](O)COc1ccccc1)C[NH2+]C[C@H](O)COc1ccccc1	ZINC000006052995	568988458	/nfs/dbraw/zinc/98/84/58/568988458.db2.gz	ZZOWGFFBXUUUNE-BGYRXZFFSA-N	2	0	402.535	2.072	50	0		HEAARP
CC(=O)Nc1ccc(C[N@H+]2CCN(C3CC[NH+](C(C)C)CC3)[C@H](CCO)C2)cc1	ZINC000104639631	569008138	/nfs/dbraw/zinc/00/81/38/569008138.db2.gz	MIKGDPKVVHPGKH-HSZRJFAPSA-N	2	0	402.583	2.386	50	0		HEAARP
CC[NH+]1CCN(CC(=O)N(CCc2ccc(OC)cc2)CC2CC[NH+](C)CC2)CC1	ZINC000019773462	569429657	/nfs/dbraw/zinc/42/96/57/569429657.db2.gz	VVHFMMKHOZMSAI-UHFFFAOYSA-N	2	0	416.610	2.046	50	0		HEAARP
COc1ccc(C[NH2+]Cc2cccc(C)c2)cc1OC[C@@H](O)CN1CC[NH+](C)CC1	ZINC000020598638	524072791	/nfs/dbraw/zinc/07/27/91/524072791.db2.gz	OMAPSWSXOMQXQS-QFIPXVFZSA-N	2	0	413.562	2.281	50	0		HEAARP
CC[NH+]1CCN(C[C@H](O)COc2cccc(C[NH2+]Cc3cccc(OC)c3)c2)CC1	ZINC000019841154	558294334	/nfs/dbraw/zinc/29/43/34/558294334.db2.gz	ROZPEQHZIPAKEX-QFIPXVFZSA-N	2	0	413.562	2.362	50	0		HEAARP
O[C@@H](COc1ccccc1C[NH2+]CCOc1cccnc1)C[NH+]1CCSCC1	ZINC000012308493	558376646	/nfs/dbraw/zinc/37/66/46/558376646.db2.gz	XCDNKZHUVLQHEN-LJQANCHMSA-N	2	0	403.548	2.039	50	0		HEAARP
COc1cc(C[N@H+](C)CCc2cnn(C)c2)ccc1OC[C@H](O)C[NH+](C)C(C)C	ZINC000012385498	558394464	/nfs/dbraw/zinc/39/44/64/558394464.db2.gz	DAUHFKWJVUNPML-HXUWFJFHSA-N	2	0	404.555	2.183	50	0		HEAARP
CC(C)CCN1C(=O)N(CC[NH+](C)C)C(=O)C12CC[NH+](Cc1cccnc1)CC2	ZINC000014542570	558660568	/nfs/dbraw/zinc/66/05/68/558660568.db2.gz	ZAZXWDIYNCWQQO-UHFFFAOYSA-N	2	0	401.555	2.288	50	0		HEAARP
COCC[N@H+](C)CCN1CC2(CC[NH+](Cc3ccc4c(c3)C[C@@H](C)O4)CC2)OC1=O	ZINC000072447110	558982653	/nfs/dbraw/zinc/98/26/53/558982653.db2.gz	AVRRVYGRCYEHEH-GOSISDBHSA-N	2	0	417.550	2.375	50	0		HEAARP
Cn1ccnc1C(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@H+](Cc2ccccc2F)C1	ZINC000095510059	559083587	/nfs/dbraw/zinc/08/35/87/559083587.db2.gz	FKZOWITUNAZEEM-SFHVURJKSA-N	2	0	401.530	2.475	50	0		HEAARP
COc1ccc(OC[C@@H](O)C[NH+]2CCC(O)CC2)c(C[NH2+]Cc2ccccc2)c1	ZINC000011661053	558265072	/nfs/dbraw/zinc/26/50/72/558265072.db2.gz	ZMUBSPRNYZKYPD-NRFANRHFSA-N	2	0	400.519	2.181	50	0		HEAARP
Cc1ccc(C[N@H+]2CCc3nnc([C@@H](C)NC(=O)C4CC[NH+](C)CC4)n3CC2)c(C)c1	ZINC000011977197	558305858	/nfs/dbraw/zinc/30/58/58/558305858.db2.gz	RNGREIKVEGOTFA-LJQANCHMSA-N	2	0	424.593	2.472	50	0		HEAARP
CC[NH+]1CCN(CC(=O)N(C)C[C@@H]2CCC[N@H+](CCc3ccccc3OC)C2)CC1	ZINC000020324824	558355586	/nfs/dbraw/zinc/35/55/86/558355586.db2.gz	NWVCCOHDIMUCSY-NRFANRHFSA-N	2	0	416.610	2.046	50	0		HEAARP
CC[NH+](CC)C[C@@H](O)COc1ccc(C[NH2+]CCCn2ccnc2C)cc1OC	ZINC000012429367	558404216	/nfs/dbraw/zinc/40/42/16/558404216.db2.gz	UTYIMDUWFCVGBT-HXUWFJFHSA-N	2	0	404.555	2.462	50	0		HEAARP
COc1cc(C[NH2+]Cc2cccc(C)c2)ccc1OC[C@@H](O)C[NH+]1CCC(O)CC1	ZINC000012577044	558431384	/nfs/dbraw/zinc/43/13/84/558431384.db2.gz	CXFFLVSDUFKPOB-QFIPXVFZSA-N	2	0	414.546	2.490	50	0		HEAARP
COC(=O)CCC(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@H+](Cc2ccccc2F)C1	ZINC000012711759	558452938	/nfs/dbraw/zinc/45/29/38/558452938.db2.gz	DFSWWIXPHDAAPT-SFHVURJKSA-N	2	0	407.530	2.381	50	0		HEAARP
COc1ccc(CN2CC[NH+](C)CC2)cc1OC[C@@H](O)C[N@H+](C)Cc1ccccc1	ZINC000022851921	558516893	/nfs/dbraw/zinc/51/68/93/558516893.db2.gz	XLMYARWGXKYXCR-QFIPXVFZSA-N	2	0	413.562	2.314	50	0		HEAARP
COc1ccc(C[NH2+]Cc2ccc(F)cc2)cc1OC[C@H](O)CN1CC[NH+](C)CC1	ZINC000022919304	558522121	/nfs/dbraw/zinc/52/21/21/558522121.db2.gz	DLROBHIQXIQCEP-OAQYLSRUSA-N	2	0	417.525	2.111	50	0		HEAARP
O=C1C[C@@H]([NH2+]CCCN2CC[NH+](Cc3ccccc3)CC2)C(=O)N1c1ccc(F)cc1	ZINC000022972168	558528504	/nfs/dbraw/zinc/52/85/04/558528504.db2.gz	WBVZISLTLRUMSO-JOCHJYFZSA-N	2	0	424.520	2.255	50	0		HEAARP
CC(C)Cn1nc(C(=O)N2CCOCC2)c2c1CC[C@@H]([NH2+]CC(C)(C)C[NH+](C)C)C2	ZINC000014744061	558668344	/nfs/dbraw/zinc/66/83/44/558668344.db2.gz	ZSIJGMUDFDEDHD-GOSISDBHSA-N	2	0	419.614	2.046	50	0		HEAARP
COC(=O)C1CC[NH+](Cc2ccc(OC)c(OC[C@@H](O)C[N@H+](C)C(C)C)c2)CC1	ZINC000015063798	558706507	/nfs/dbraw/zinc/70/65/07/558706507.db2.gz	GRWILGNLMDVSNU-IBGZPJMESA-N	2	0	408.539	2.160	50	0		HEAARP
O=C(NCC[NH+]1CCCCC1)[C@@H]1CCC[N@@H+](C2CCN(Cc3cccnc3)CC2)C1	ZINC000082166397	559042070	/nfs/dbraw/zinc/04/20/70/559042070.db2.gz	KSPHGHSUGSJJKQ-JOCHJYFZSA-N	2	0	413.610	2.360	50	0		HEAARP
C[NH+](C)CCCNC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](C3Cc4ccccc4C3)CC2)C1	ZINC000091656144	559072806	/nfs/dbraw/zinc/07/28/06/559072806.db2.gz	ZFRMVPCKSCDCSG-QFIPXVFZSA-N	3	0	412.622	2.398	50	0		HEAARP
C[C@H](C(=O)N1CCN(Cc2ccccc2)CC1)N(C)C[C@H]1COc2ccccc2O1	ZINC000245265314	571221537	/nfs/dbraw/zinc/22/15/37/571221537.db2.gz	FWHDRWBJYMHNFX-CTNGQTDRSA-N	2	0	409.530	2.491	50	0		HEAARP
COc1ccc(C[NH+]2CCC3(C[C@@H](C(=O)N4CCOCC4)[N@H+](C)C3)CC2)cc1C	ZINC000581802924	1078772308	/nfs/dbraw/zinc/77/23/08/1078772308.db2.gz	RJHLCWKYBYUTQK-FQEVSTJZSA-N	2	0	401.551	2.149	50	0		HEAARP
Cc1ccc(C(=O)N(CCC(=O)N2CC[NH2+]CC2)CC[N@H+]2CCCC[C@@H]2C)cc1	ZINC000045966922	526071399	/nfs/dbraw/zinc/07/13/99/526071399.db2.gz	GTWIUQDSEQUWJM-FQEVSTJZSA-N	2	0	400.567	2.134	50	0		HEAARP
COc1ccc(C[NH2+]Cc2ccccc2C)cc1OC[C@@H](O)CN1CC[NH+](C)CC1	ZINC000019744329	558264702	/nfs/dbraw/zinc/26/47/02/558264702.db2.gz	UKBZDDJXMUEPMS-QFIPXVFZSA-N	2	0	413.562	2.281	50	0		HEAARP
Cc1nc(SCC[NH2+]Cc2ccccc2OC[C@H](O)C[NH+]2CCCCC2)n[nH]1	ZINC000012093199	558324788	/nfs/dbraw/zinc/32/47/88/558324788.db2.gz	RDUNDLJCSKYEDO-GOSISDBHSA-N	2	0	405.568	2.221	50	0		HEAARP
CC[NH+]1CCN(C[C@@H](O)COc2cccc(C[NH2+]CCCc3cccnc3)c2)CC1	ZINC000020109807	558335072	/nfs/dbraw/zinc/33/50/72/558335072.db2.gz	GUWWUCOUTFVGON-HSZRJFAPSA-N	2	0	412.578	2.181	50	0		HEAARP
COc1ccccc1C[N@@H+]1CCC[C@H](CN(CC[NH+](C)C)C(=O)c2cnsn2)C1	ZINC000012470960	558421901	/nfs/dbraw/zinc/42/19/01/558421901.db2.gz	NLOZOGUOBVIZLC-KRWDZBQOSA-N	2	0	417.579	2.463	50	0		HEAARP
C[NH+](C)CCN(C[C@H]1CCC[N@H+](Cc2ccccc2F)C1)C(=O)c1ccc[n+]([O-])c1	ZINC000014979068	558690503	/nfs/dbraw/zinc/69/05/03/558690503.db2.gz	ZKBSXAUIHZVENA-IBGZPJMESA-N	2	0	414.525	2.375	50	0		HEAARP
Cc1c(C(=O)NCC[NH+]2CCC(C)CC2)sc2ncnc(N3CC[NH+](C)CC3)c12	ZINC000033048303	558885069	/nfs/dbraw/zinc/88/50/69/558885069.db2.gz	DFXYUWJLPFNPDB-UHFFFAOYSA-N	2	0	416.595	2.213	50	0		HEAARP
O=C(NCC[NH+]1CCCCC1)[C@H]1CCC[N@@H+](C2CCN(Cc3ccncc3)CC2)C1	ZINC000082147310	559040873	/nfs/dbraw/zinc/04/08/73/559040873.db2.gz	QPXBENVFVVLVDR-QFIPXVFZSA-N	2	0	413.610	2.360	50	0		HEAARP
C[C@@H](C(=O)N1CCN(Cc2ccccc2)CC1)N(C)C[C@H]1COc2ccccc2O1	ZINC000245265315	571221658	/nfs/dbraw/zinc/22/16/58/571221658.db2.gz	FWHDRWBJYMHNFX-FPOVZHCZSA-N	2	0	409.530	2.491	50	0		HEAARP
CN(C(=O)[C@@H]1CC(=O)N(C2CC[NH+](Cc3ccccc3)CC2)C1)C1CC[NH+](C)CC1	ZINC000034918893	557483253	/nfs/dbraw/zinc/48/32/53/557483253.db2.gz	KWKQCYALXWYTFN-HXUWFJFHSA-N	2	0	412.578	2.052	50	0		HEAARP
COc1ccccc1C[N@@H+]1CCC[C@H](CN(CC[NH+](C)C)C(=O)Cn2cccn2)C1	ZINC000012053441	558314868	/nfs/dbraw/zinc/31/48/68/558314868.db2.gz	HGVWYCNPBDSAMC-FQEVSTJZSA-N	2	0	413.566	2.194	50	0		HEAARP
O=CN1CCC[N@@H+](Cc2cccc(OC[C@H](O)C[NH+]3CCc4ccccc4C3)c2)CC1	ZINC000012298975	558368986	/nfs/dbraw/zinc/36/89/86/558368986.db2.gz	LHOMYMMZGHNFPQ-XMMPIXPASA-N	2	0	423.557	2.149	50	0		HEAARP
COc1cc(C[N@H+](C)CCc2cnn(C)c2)ccc1OC[C@@H](O)C[NH+](C)C(C)C	ZINC000012385497	558394534	/nfs/dbraw/zinc/39/45/34/558394534.db2.gz	DAUHFKWJVUNPML-FQEVSTJZSA-N	2	0	404.555	2.183	50	0		HEAARP
C[NH+](C)CCN(C[C@H]1CCC[N@H+](Cc2ccccc2F)C1)C(=O)CCn1cncn1	ZINC000012386181	558395093	/nfs/dbraw/zinc/39/50/93/558395093.db2.gz	MFMHXTSDZJREHB-IBGZPJMESA-N	2	0	416.545	2.110	50	0		HEAARP
COC(=O)C1CC[NH+](C[C@@H](O)COc2ccc(C[NH2+]CCCOC(C)C)cc2)CC1	ZINC000012430729	558405295	/nfs/dbraw/zinc/40/52/95/558405295.db2.gz	FRDTYKNEABEXIX-OAQYLSRUSA-N	2	0	422.566	2.216	50	0		HEAARP
COc1cc(C[NH2+]Cc2cccc(C)c2)ccc1OC[C@H](O)C[NH+]1CCC(O)CC1	ZINC000012577049	558431265	/nfs/dbraw/zinc/43/12/65/558431265.db2.gz	CXFFLVSDUFKPOB-JOCHJYFZSA-N	2	0	414.546	2.490	50	0		HEAARP
C[N@H+](CCC1CCOCC1)Cc1cccc(OC[C@H](O)C[NH+]2CCC(O)CC2)c1	ZINC000012719022	558456447	/nfs/dbraw/zinc/45/64/47/558456447.db2.gz	QMGZABSUQUTKSA-JOCHJYFZSA-N	2	0	406.567	2.132	50	0		HEAARP
CN(CC1CC[NH+](CCc2cccc(F)c2)CC1)C(=O)CC[NH+]1CCN(C)CC1	ZINC000022926217	558523216	/nfs/dbraw/zinc/52/32/16/558523216.db2.gz	UDDKNDYZLCUVRS-UHFFFAOYSA-N	2	0	404.574	2.176	50	0		HEAARP
Cc1c(C(=O)NCC[NH+]2CCCCCC2)sc2ncnc(N3CC[NH+](C)CC3)c12	ZINC000033048282	558885046	/nfs/dbraw/zinc/88/50/46/558885046.db2.gz	BFEBGWDCTDTDAZ-UHFFFAOYSA-N	2	0	416.595	2.357	50	0		HEAARP
NC(=O)CC1CC[NH+](Cc2cccc(OC[C@@H](O)C[NH+]3CCCCCC3)c2)CC1	ZINC000095509663	559083687	/nfs/dbraw/zinc/08/36/87/559083687.db2.gz	OQLULDQUYLLYAO-NRFANRHFSA-N	2	0	403.567	2.390	50	0		HEAARP
O=C(N[C@H]1C2CN3CC1(c1ccccc1)C[N@H+](C2)CC3)C1([NH+]2CCCC2)CCCCC1	ZINC000670469785	568982974	/nfs/dbraw/zinc/98/29/74/568982974.db2.gz	AEDXXMJWKLPWTG-LUQTXGNESA-N	2	0	422.617	2.469	50	0		HEAARP
CC(C)(C[NH2+]C[C@@H](O)COc1ccccc1)C[NH2+]C[C@@H](O)COc1ccccc1	ZINC000006052998	568988498	/nfs/dbraw/zinc/98/84/98/568988498.db2.gz	ZZOWGFFBXUUUNE-WOJBJXKFSA-N	2	0	402.535	2.072	50	0		HEAARP
COc1cc(CN2CCN(C3CC[NH+](C(C)C)CC3)[C@H](CCO)C2)cc2c1OCO2	ZINC000104632225	569009071	/nfs/dbraw/zinc/00/90/71/569009071.db2.gz	KUVYUNDUODTELR-HXUWFJFHSA-N	2	0	419.566	2.165	50	0		HEAARP
CC[C@](C)([NH2+]CCc1c[nH]c2ccccc12)c1nnnn1CCCN1CCOCC1	ZINC000575443632	569028457	/nfs/dbraw/zinc/02/84/57/569028457.db2.gz	FEKXQIAFCVPZOE-QFIPXVFZSA-N	2	0	411.554	2.334	50	0		HEAARP
CCn1c2c(C(=O)Nc3cccc(C[NH+]4CCCC4)c3)cnn2c(=O)c2c1CC[NH2+]C2	ZINC000064966201	569137384	/nfs/dbraw/zinc/13/73/84/569137384.db2.gz	SVJHDGLVYPDZIA-UHFFFAOYSA-N	2	0	420.517	2.010	50	0		HEAARP
C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1	ZINC000170598136	569242395	/nfs/dbraw/zinc/24/23/95/569242395.db2.gz	ZAOXGROPQOBMIB-IBGZPJMESA-N	2	0	419.639	2.425	50	0		HEAARP
COCCOC1CC[NH+](Cc2ccccc2OC[C@@H](O)C[NH+]2CCSCC2)CC1	ZINC000012051285	558314147	/nfs/dbraw/zinc/31/41/47/558314147.db2.gz	OVVSTDDCAAUIOP-FQEVSTJZSA-N	2	0	424.607	2.103	50	0		HEAARP
C[NH+](C)CCN(C[C@@H]1CCC[N@H+](Cc2ccccc2F)C1)C(=O)CN1CCCC1=O	ZINC000012443619	558412951	/nfs/dbraw/zinc/41/29/51/558412951.db2.gz	NEBKPZKXAJCDBP-LJQANCHMSA-N	2	0	418.557	2.050	50	0		HEAARP
COC(=O)CNC(=O)C1CC[NH+](C2CC[NH+](CCCc3ccccc3)CC2)CC1	ZINC000012701984	558447936	/nfs/dbraw/zinc/44/79/36/558447936.db2.gz	NIDKCMZNSCIUHH-UHFFFAOYSA-N	2	0	401.551	2.085	50	0		HEAARP
CC[NH+]1CCN(c2ccccc2NC(=O)N2CCC(OCC[NH+](C)C)CC2)CC1	ZINC000072280931	558706071	/nfs/dbraw/zinc/70/60/71/558706071.db2.gz	WQTNMVSKYAIBOW-UHFFFAOYSA-N	2	0	403.571	2.403	50	0		HEAARP
C[NH+](C)CC(C)(C)NC(=O)[C@H]1CCC[N@@H+](C2CCN(Cc3cccnc3)CC2)C1	ZINC000082126388	559039844	/nfs/dbraw/zinc/03/98/44/559039844.db2.gz	WRJHLUUDRXIGQG-FQEVSTJZSA-N	2	0	401.599	2.214	50	0		HEAARP
COC(=O)C1CC[NH+](C[C@H](O)COc2ccc(C[N@H+]3CC=C(C)CC3)cc2)CC1	ZINC000095528073	559086297	/nfs/dbraw/zinc/08/62/97/559086297.db2.gz	JBHDRUBMVSLYEJ-NRFANRHFSA-N	2	0	402.535	2.463	50	0		HEAARP
CC[NH+]1CCC2(CC1)OC(=O)C(C)=C2C(=O)NCCC[N@@H+]1CCc2ccccc2C1	ZINC000020531761	568627598	/nfs/dbraw/zinc/62/75/98/568627598.db2.gz	LNZQVFGIKRXLDZ-UHFFFAOYSA-N	2	0	411.546	2.279	50	0	biogenic	HEAARP
Cc1ccc(C)c(C[N@H+]2CCc3nnc([C@@H](C)NC(=O)C4CC[NH+](C)CC4)n3CC2)c1	ZINC000011972030	558305127	/nfs/dbraw/zinc/30/51/27/558305127.db2.gz	RZRSWHGYAAEMJB-LJQANCHMSA-N	2	0	424.593	2.472	50	0		HEAARP
COc1ccccc1C[N@@H+]1CCC[C@@H](CN(CC[NH+](C)C)C(=O)c2cnsn2)C1	ZINC000012470952	558421982	/nfs/dbraw/zinc/42/19/82/558421982.db2.gz	NLOZOGUOBVIZLC-QGZVFWFLSA-N	2	0	417.579	2.463	50	0		HEAARP
COc1cc(CN2CC[NH+](CC3CC3)CC2)ccc1OC[C@H](O)C[N@H+](C)C(C)C	ZINC000020992943	558426073	/nfs/dbraw/zinc/42/60/73/558426073.db2.gz	JYDWTNLIGJZXEK-OAQYLSRUSA-N	2	0	405.583	2.303	50	0		HEAARP
Cn1nccc1C(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@H+](Cc2ccccc2F)C1	ZINC000014960811	558683797	/nfs/dbraw/zinc/68/37/97/558683797.db2.gz	XDLKBFFFGCMXJB-GOSISDBHSA-N	2	0	401.530	2.475	50	0		HEAARP
C[NH+](C)CCN(C[C@@H]1CCC[N@H+](Cc2ccccc2F)C1)C(=O)c1ccc[n+]([O-])c1	ZINC000014979065	558690453	/nfs/dbraw/zinc/69/04/53/558690453.db2.gz	ZKBSXAUIHZVENA-LJQANCHMSA-N	2	0	414.525	2.375	50	0		HEAARP
Cc1cc(C)cc(C(=O)N(CCC[NH+]2CCCC2)CCC(=O)N2CC[NH2+]CC2)c1	ZINC000035422016	558791772	/nfs/dbraw/zinc/79/17/72/558791772.db2.gz	JIKDSRYDPHAKHO-UHFFFAOYSA-N	2	0	400.567	2.053	50	0		HEAARP
C[C@@H]1CCCC[N@@H+]1CCN(CC(=O)N1CC[NH2+]CC1)C(=O)c1ccc(Cl)cc1	ZINC000033032733	558857066	/nfs/dbraw/zinc/85/70/66/558857066.db2.gz	AXPBGYJHESRKPZ-QGZVFWFLSA-N	2	0	406.958	2.088	50	0		HEAARP
[NH3+]C1CCN(C(=O)[C@H]2CCC[N@@H+](C3CC[NH+](C4Cc5ccccc5C4)CC3)C2)CC1	ZINC000082109338	559038786	/nfs/dbraw/zinc/03/87/86/559038786.db2.gz	HGKJHIYXUNKVED-NRFANRHFSA-N	3	0	410.606	2.280	50	0		HEAARP
C[NH+](C)CCCN(CC1CC[NH+](C2Cc3ccccc3C2)CC1)C(=O)C(C)(C)[NH3+]	ZINC000095510558	559083847	/nfs/dbraw/zinc/08/38/47/559083847.db2.gz	BPYWIPTUTTZRFB-UHFFFAOYSA-N	3	0	400.611	2.383	50	0		HEAARP
C[NH+](C)CC(C)(C)C[NH+]1CCC(N2C[C@H](COc3ccc(F)cc3)OCC2=O)CC1	ZINC000299791566	568875803	/nfs/dbraw/zinc/87/58/03/568875803.db2.gz	GYTMNVZRJNMDAH-OAQYLSRUSA-N	2	0	421.557	2.484	50	0		HEAARP
CC[N@@H+]1CCC[C@@H]1CN(CC1CC[NH+](CCOC)CC1)C(=O)CCc1cnccn1	ZINC000012703954	569383732	/nfs/dbraw/zinc/38/37/32/569383732.db2.gz	MNAHPEFLMSDPAN-JOCHJYFZSA-N	2	0	417.598	2.081	50	0		HEAARP
Cc1cccc(CN2CCC([NH+]3CCC(C(=O)N4CC[C@H]([NH+](C)C)C4)CC3)CC2)n1	ZINC000055153631	569391377	/nfs/dbraw/zinc/39/13/77/569391377.db2.gz	KEVAWTFLFXTJAD-QHCPKHFHSA-N	2	0	413.610	2.229	50	0		HEAARP
Cc1ccc(C[N@H+]2CCc3nnc([C@H](C)NC(=O)C4CC[NH+](C)CC4)n3CC2)c(C)c1	ZINC000011977203	558305866	/nfs/dbraw/zinc/30/58/66/558305866.db2.gz	RNGREIKVEGOTFA-IBGZPJMESA-N	2	0	424.593	2.472	50	0		HEAARP
C[NH+]1CCN(Cc2c(C(=O)N3CC[NH+](C4CCCCC4)CC3)nc3ccccn32)CC1	ZINC000020779025	558412379	/nfs/dbraw/zinc/41/23/79/558412379.db2.gz	UTEUTSSUGASUMD-UHFFFAOYSA-N	2	0	424.593	2.172	50	0		HEAARP
COc1ccc(CC[N@@H+]2CCC[C@@H](CN(C)C(=O)CC[NH+]3CCN(C)CC3)C2)cc1	ZINC000019336707	558870120	/nfs/dbraw/zinc/87/01/20/558870120.db2.gz	IZNQIONPWQYPIK-QFIPXVFZSA-N	2	0	416.610	2.046	50	0		HEAARP
COc1ccc(CNCCC[NH+]2CCCC2)cc1OC[C@@H](O)C[NH+]1CCCCC1	ZINC000055227851	558876945	/nfs/dbraw/zinc/87/69/45/558876945.db2.gz	MWCOKAQAOPPSDQ-NRFANRHFSA-N	2	0	405.583	2.496	50	0		HEAARP
Cc1c(C(=O)NCC[N@H+]2CCCC[C@@H]2C)sc2ncnc(N3CC[NH+](C)CC3)c12	ZINC000033048284	558885172	/nfs/dbraw/zinc/88/51/72/558885172.db2.gz	LIJQWQYFPJDSEN-HNNXBMFYSA-N	2	0	416.595	2.356	50	0		HEAARP
Cc1cc(N2CCC([N@@H+]3CCC[C@H](C(=O)NCCc4ccccc4)C3)CC2)nc(N)[nH+]1	ZINC000082125274	559039698	/nfs/dbraw/zinc/03/96/98/559039698.db2.gz	RYYFCBGGPVZSCC-FQEVSTJZSA-N	2	0	422.577	2.407	50	0		HEAARP
CN(C(=O)[C@H]1CCC[N@@H+](C2CCN(Cc3cccnc3)CC2)C1)C1CC[NH+](C)CC1	ZINC000091270516	559070821	/nfs/dbraw/zinc/07/08/21/559070821.db2.gz	KIQZOCWMRIKZFR-NRFANRHFSA-N	2	0	413.610	2.311	50	0		HEAARP
COc1cc(C[NH2+]CCc2ccccn2)ccc1OC[C@H](O)C[NH+]1CCSCC1	ZINC000012315494	568466836	/nfs/dbraw/zinc/46/68/36/568466836.db2.gz	OYMICVGPXKIRCF-HXUWFJFHSA-N	2	0	417.575	2.211	50	0		HEAARP
CC[N@@H+]1CCC[C@H]1CN(CC1CC[NH+](CCOC)CC1)C(=O)CCc1cnccn1	ZINC000012703958	569383671	/nfs/dbraw/zinc/38/36/71/569383671.db2.gz	MNAHPEFLMSDPAN-QFIPXVFZSA-N	2	0	417.598	2.081	50	0		HEAARP
CC[N@@H+]1CCC[C@H]1CN(CCC(=O)N1CC[NH2+]CC1)C(=O)c1ccc(Cl)cc1	ZINC000045966792	521654011	/nfs/dbraw/zinc/65/40/11/521654011.db2.gz	QRAVIBINIPEXNG-IBGZPJMESA-N	2	0	406.958	2.088	50	0		HEAARP
C[N@H+](CCC1CCOCC1)Cc1cccc(OC[C@@H](O)C[NH+]2CCC(O)CC2)c1	ZINC000012719021	558456396	/nfs/dbraw/zinc/45/63/96/558456396.db2.gz	QMGZABSUQUTKSA-QFIPXVFZSA-N	2	0	406.567	2.132	50	0		HEAARP
COc1ccc(CN2CC[NH+](C)CC2)cc1OC[C@H](O)C[N@H+](C)Cc1ccccc1	ZINC000022851919	558516795	/nfs/dbraw/zinc/51/67/95/558516795.db2.gz	XLMYARWGXKYXCR-JOCHJYFZSA-N	2	0	413.562	2.314	50	0		HEAARP
CCN1C(=O)N(CC[NH+](C)C)C(=O)C12CC[NH+](Cc1cn(C)c3ccccc13)CC2	ZINC000014740412	558666527	/nfs/dbraw/zinc/66/65/27/558666527.db2.gz	SZGVUCUEVDMTNX-UHFFFAOYSA-N	2	0	411.550	2.359	50	0		HEAARP
CC[NH+]1CCN(CCCN2CC3(CC[NH+](Cc4ccc(C)o4)CC3)OC2=O)CC1	ZINC000072431828	558979369	/nfs/dbraw/zinc/97/93/69/558979369.db2.gz	WSWITJRMDCPJQM-UHFFFAOYSA-N	2	0	404.555	2.402	50	0		HEAARP
CN(CC[NH+](C)C)C(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](C3Cc4ccccc4C3)CC2)C1	ZINC000091526669	559072022	/nfs/dbraw/zinc/07/20/22/559072022.db2.gz	NFIAYYKAHQMBSK-JOCHJYFZSA-N	3	0	412.622	2.350	50	0		HEAARP
CNC(=O)C1(C)CC[NH+](Cc2ccc(OC[C@H](O)C[NH+]3CCCCC3)cc2)CC1	ZINC000095524649	559085831	/nfs/dbraw/zinc/08/58/31/559085831.db2.gz	DZTVAHXJTYNMHR-HXUWFJFHSA-N	2	0	403.567	2.260	50	0		HEAARP
O=C(C[C@@H]1C(=O)NCC[N@@H+]1C1CCCC1)NCC1CC[NH+](Cc2ccccc2)CC1	ZINC000011775717	558274769	/nfs/dbraw/zinc/27/47/69/558274769.db2.gz	DRFBIMYQGFYIGH-JOCHJYFZSA-N	2	0	412.578	2.148	50	0		HEAARP
CC[NH+]1CCN(CC(=O)N(C)C[C@H]2CCC[N@H+](CCc3ccccc3OC)C2)CC1	ZINC000020324830	558355541	/nfs/dbraw/zinc/35/55/41/558355541.db2.gz	NWVCCOHDIMUCSY-OAQYLSRUSA-N	2	0	416.610	2.046	50	0		HEAARP
COc1ccc(C[NH2+]CCCn2ccnc2C)cc1OC[C@@H](O)C[N@H+](C)C(C)C	ZINC000012302110	558371705	/nfs/dbraw/zinc/37/17/05/558371705.db2.gz	OVFHIJHPDXVYPV-FQEVSTJZSA-N	2	0	404.555	2.460	50	0		HEAARP
COc1ccc(C[NH2+]Cc2ccc(C)s2)c(OC[C@@H](O)CN2CC[NH+](C)CC2)c1	ZINC000020878096	558419749	/nfs/dbraw/zinc/41/97/49/558419749.db2.gz	ZWHXIYDJMQBEEG-IBGZPJMESA-N	2	0	419.591	2.342	50	0		HEAARP
CC[NH+]1CCN(C[C@H](O)COc2ccc(C[NH+]3CCCCCC3)cc2OC)CC1	ZINC000023360742	558552195	/nfs/dbraw/zinc/55/21/95/558552195.db2.gz	FHKPFJAZNCQADV-NRFANRHFSA-N	2	0	405.583	2.448	50	0		HEAARP
Cc1cc(N2CCC([N@@H+]3CCC[C@@H](C(=O)NCCc4ccccc4)C3)CC2)nc(N)[nH+]1	ZINC000082125277	559039724	/nfs/dbraw/zinc/03/97/24/559039724.db2.gz	RYYFCBGGPVZSCC-HXUWFJFHSA-N	2	0	422.577	2.407	50	0		HEAARP
O=C1C[C@H]([NH2+]CCCN2CC[NH+](Cc3ccccc3)CC2)C(=O)N1c1ccc(F)cc1	ZINC000102541438	560814509	/nfs/dbraw/zinc/81/45/09/560814509.db2.gz	WBVZISLTLRUMSO-QFIPXVFZSA-N	2	0	424.520	2.255	50	0		HEAARP
O=C(N[C@H]1C2CN3CC1(c1ccccc1)C[N@H+](C2)CC3)c1ccc(C[NH+]2CCCC2)o1	ZINC000670445198	568910838	/nfs/dbraw/zinc/91/08/38/568910838.db2.gz	PPKWORXXGQPLEY-VMQIMYIWSA-N	2	0	420.557	2.173	50	0		HEAARP
CCn1nc(C(=O)N2CCSCC2)c2c1CC[C@H]([NH2+]CC(C)(C)C[NH+](C)C)C2	ZINC000020539338	523613294	/nfs/dbraw/zinc/61/32/94/523613294.db2.gz	ROEJSBYPXDUBRK-INIZCTEOSA-N	2	0	407.628	2.127	50	0		HEAARP
CC[NH+]1CCN(CC(=O)N(C)C[C@@H]2CCC[N@H+](CCc3ccccc3C)C2)CC1	ZINC000020915158	558422694	/nfs/dbraw/zinc/42/26/94/558422694.db2.gz	PKRMKEGZEJWFBD-QFIPXVFZSA-N	2	0	400.611	2.345	50	0		HEAARP
COc1cc(C[NH2+]Cc2ccccc2F)ccc1OC[C@H](O)C[NH+]1CCC(O)CC1	ZINC000012570650	558428720	/nfs/dbraw/zinc/42/87/20/558428720.db2.gz	XQDLKMSWXASQAT-HXUWFJFHSA-N	2	0	418.509	2.321	50	0		HEAARP
CC(C)CNC(=O)[C@@H]1C[C@H](CN2CC[NH+](C)CC2)C[N@H+](CCc2ccccc2)C1	ZINC000023353747	558551168	/nfs/dbraw/zinc/55/11/68/558551168.db2.gz	VHWWONBNBXJURD-DHIUTWEWSA-N	2	0	400.611	2.187	50	0		HEAARP
CC(C)CCN1C(=O)N(CC[NH+](C)C)C(=O)C12CC[NH+](Cc1ccccn1)CC2	ZINC000014741772	558667454	/nfs/dbraw/zinc/66/74/54/558667454.db2.gz	WUHXGFCTJCVCAB-UHFFFAOYSA-N	2	0	401.555	2.288	50	0		HEAARP
CC(C)C[N@H+]1C[C@H](C(=O)Nc2ccc3c(c2)CCC3)C[C@H](C(=O)NCC[NH+](C)C)C1	ZINC000014746181	558669162	/nfs/dbraw/zinc/66/91/62/558669162.db2.gz	YPENZIMAKKNNON-LEWJYISDSA-N	2	0	414.594	2.386	50	0		HEAARP
CC[NH+]1CCN(CCN2CC3(CC[NH+](Cc4ccc(C)cc4)CC3)OC2=O)CC1	ZINC000072432153	558979449	/nfs/dbraw/zinc/97/94/49/558979449.db2.gz	HEYLWNQIZCFGPC-UHFFFAOYSA-N	2	0	400.567	2.419	50	0		HEAARP
CN(CC[NH+]1CCCC1)C(=O)[C@H]1CCC[N@@H+](C2CCN(Cc3ccncc3)CC2)C1	ZINC000091548812	559072105	/nfs/dbraw/zinc/07/21/05/559072105.db2.gz	QNEZIRQMJSRNLK-QFIPXVFZSA-N	2	0	413.610	2.312	50	0		HEAARP
O=C([C@@H]1CCC[N@@H+](C2CC[NH+](C3Cc4ccccc4C3)CC2)C1)N1CCC(O)CC1	ZINC000091736517	559073398	/nfs/dbraw/zinc/07/33/98/559073398.db2.gz	IVZCRAFITVSBOW-OAQYLSRUSA-N	2	0	411.590	2.314	50	0		HEAARP
COC(=O)C1CC[NH+](C[C@H](O)COc2cccc(C[N@H+]3CC=C(C)CC3)c2)CC1	ZINC000095511766	559083980	/nfs/dbraw/zinc/08/39/80/559083980.db2.gz	LCIPKSQTXOZUDH-NRFANRHFSA-N	2	0	402.535	2.463	50	0		HEAARP
CC[NH+](CC)CCCNC(=O)C1CCN(C(=O)NC2CC[NH+](C(C)C)CC2)CC1	ZINC000058147092	568892267	/nfs/dbraw/zinc/89/22/67/568892267.db2.gz	FXSQXURMOLZHLL-UHFFFAOYSA-N	2	0	409.619	2.129	50	0		HEAARP
O=C(N[C@@H]1C2CN3CC1(c1ccccc1)C[N@H+](C2)CC3)C1([NH+]2CCCC2)CCCCC1	ZINC000670469786	568982963	/nfs/dbraw/zinc/98/29/63/568982963.db2.gz	AEDXXMJWKLPWTG-XRODLIKFSA-N	2	0	422.617	2.469	50	0		HEAARP
CC[NH+]1CCN(C[C@H](O)COc2cccc(C[NH2+]CCc3cccc(C)n3)c2)CC1	ZINC000020535698	521686833	/nfs/dbraw/zinc/68/68/33/521686833.db2.gz	PMIYFNZSBNJNRH-QHCPKHFHSA-N	2	0	412.578	2.100	50	0		HEAARP
COc1cc(CN2CC[NH+](C)CC2)ccc1OC[C@H](O)C[N@H+](C)C1CCCCC1	ZINC000020542966	522380926	/nfs/dbraw/zinc/38/09/26/522380926.db2.gz	KBDZUCCZIBBLJN-OAQYLSRUSA-N	2	0	405.583	2.447	50	0		HEAARP
COc1ccc(C[NH2+]CCc2cnccn2)cc1OC[C@@H](O)C[NH+]1CCCCC1	ZINC000020540426	524071227	/nfs/dbraw/zinc/07/12/27/524071227.db2.gz	XKZUFVZRROZRJX-FQEVSTJZSA-N	2	0	400.523	2.043	50	0		HEAARP
COC(=O)CCC(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@H+](Cc2ccccc2OC)C1	ZINC000011818080	558281185	/nfs/dbraw/zinc/28/11/85/558281185.db2.gz	LRKJQZLUYDZVGV-LJQANCHMSA-N	2	0	419.566	2.251	50	0		HEAARP
CC[N@@H+]1CCC[C@H]1CN(CC1CC[NH+](CCOC)CC1)C(=O)CCN1CCCCO1	ZINC000012075327	558319464	/nfs/dbraw/zinc/31/94/64/558319464.db2.gz	BVLLKQOXWJDCKT-QFIPXVFZSA-N	2	0	424.630	2.075	50	0		HEAARP
COc1cc(C[N@H+](C)CC2CCOCC2)ccc1OC[C@@H](O)C[NH+]1CCSCC1	ZINC000012429528	558404421	/nfs/dbraw/zinc/40/44/21/558404421.db2.gz	XFNGIEYDOPIWFA-FQEVSTJZSA-N	2	0	424.607	2.342	50	0		HEAARP
COc1ccc(CN2CC[NH+](C(C)C)CC2)cc1OC[C@@H](O)C[NH+]1CCCCC1	ZINC000020996489	558426837	/nfs/dbraw/zinc/42/68/37/558426837.db2.gz	ZPZACAAWBDNKJK-NRFANRHFSA-N	2	0	405.583	2.447	50	0		HEAARP
O=C(NCCc1c[nH]cn1)[C@@H]1C[C@H](C[NH+]2CCCC2)C[N@H+](CCc2ccccc2)C1	ZINC000014538284	558659025	/nfs/dbraw/zinc/65/90/25/558659025.db2.gz	ZGTXIVPUEKQOOT-FGZHOGPDSA-N	2	0	409.578	2.345	50	0		HEAARP
CCN1C(=O)N(CC[NH+](C)C)C(=O)C12CC[NH+](Cc1nc3ccccc3s1)CC2	ZINC000014740664	558666803	/nfs/dbraw/zinc/66/68/03/558666803.db2.gz	ILZCKWXSOQWTPO-UHFFFAOYSA-N	2	0	415.563	2.477	50	0		HEAARP
C[NH+](C[C@H](O)COc1ccccc1C[N@H+](C)CCN1CCOCC1)C1CCCCC1	ZINC000019227614	558852871	/nfs/dbraw/zinc/85/28/71/558852871.db2.gz	VKRCSOKSBIJLCS-QHCPKHFHSA-N	2	0	419.610	2.455	50	0		HEAARP
C[NH+](C)CC(C)(C)NC(=O)[C@@H]1CCC[N@@H+](C2CCN(Cc3cccnc3)CC2)C1	ZINC000082126385	559039900	/nfs/dbraw/zinc/03/99/00/559039900.db2.gz	WRJHLUUDRXIGQG-HXUWFJFHSA-N	2	0	401.599	2.214	50	0		HEAARP
CC(=O)NC1CC[NH+](Cc2cccc(OC[C@@H](O)C[NH+]3CCCCCC3)c2)CC1	ZINC000095497398	559081692	/nfs/dbraw/zinc/08/16/92/559081692.db2.gz	XOQJWIHPEVZYTL-QFIPXVFZSA-N	2	0	403.567	2.403	50	0		HEAARP
COc1cc(C[NH2+]Cc2ccccc2C)ccc1OC[C@@H](O)C[NH+]1CCC(O)CC1	ZINC000012471582	568838414	/nfs/dbraw/zinc/83/84/14/568838414.db2.gz	KCLLVDDBOMBBBK-QFIPXVFZSA-N	2	0	414.546	2.490	50	0		HEAARP
CC[N@@H+]1CCC[C@@H]1CN(CCC(=O)N1CC[NH2+]CC1)C(=O)c1ccc(Cl)cc1	ZINC000045966790	521633385	/nfs/dbraw/zinc/63/33/85/521633385.db2.gz	QRAVIBINIPEXNG-LJQANCHMSA-N	2	0	406.958	2.088	50	0		HEAARP
COc1cc(C[NH2+]Cc2cccnc2)ccc1OC[C@H](O)C[NH+]1CCSCC1	ZINC000011820695	558283897	/nfs/dbraw/zinc/28/38/97/558283897.db2.gz	OLYSEOQAQIKWMD-LJQANCHMSA-N	2	0	403.548	2.169	50	0		HEAARP
COCCOC1CC[NH+](Cc2ccccc2OC[C@H](O)C[NH+]2CCSCC2)CC1	ZINC000012051289	558314165	/nfs/dbraw/zinc/31/41/65/558314165.db2.gz	OVVSTDDCAAUIOP-HXUWFJFHSA-N	2	0	424.607	2.103	50	0		HEAARP
COc1cc(C[N@H+](C)CC2CCOCC2)ccc1OC[C@H](O)C[NH+]1CCSCC1	ZINC000012429529	558404462	/nfs/dbraw/zinc/40/44/62/558404462.db2.gz	XFNGIEYDOPIWFA-HXUWFJFHSA-N	2	0	424.607	2.342	50	0		HEAARP
O=C(CCN(CC[NH+]1CCCCC1)C(=O)c1ccc(Cl)cc1)N1CC[NH2+]CC1	ZINC000035422061	558791835	/nfs/dbraw/zinc/79/18/35/558791835.db2.gz	TWYUWCJTCIDCNU-UHFFFAOYSA-N	2	0	406.958	2.090	50	0		HEAARP
C[C@H]1CCCC[N@@H+]1CCN(CC(=O)N1CC[NH2+]CC1)C(=O)c1ccc(Cl)cc1	ZINC000033032735	558856977	/nfs/dbraw/zinc/85/69/77/558856977.db2.gz	AXPBGYJHESRKPZ-KRWDZBQOSA-N	2	0	406.958	2.088	50	0		HEAARP
C[NH+](C)CCCNC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](C3Cc4ccccc4C3)CC2)C1	ZINC000091656143	559072737	/nfs/dbraw/zinc/07/27/37/559072737.db2.gz	ZFRMVPCKSCDCSG-JOCHJYFZSA-N	3	0	412.622	2.398	50	0		HEAARP
COC(=O)C1CC[NH+](C[C@@H](O)COc2cccc(C[N@H+]3CC=C(C)CC3)c2)CC1	ZINC000095511765	559083946	/nfs/dbraw/zinc/08/39/46/559083946.db2.gz	LCIPKSQTXOZUDH-OAQYLSRUSA-N	2	0	402.535	2.463	50	0		HEAARP
CN1CC[NH+]([C@@H]2CCCCN(C(=O)Nc3ccccc3N3CC[NH+](C)CC3)C2)CC1	ZINC000089382795	569058777	/nfs/dbraw/zinc/05/87/77/569058777.db2.gz	QTRVALKNWRMIJX-HXUWFJFHSA-N	2	0	414.598	2.072	50	0		HEAARP
CC[NH+]1CCN(c2ncnc3sc(C(=O)NCCC[NH+]4CCCC4)c(C)c32)CC1	ZINC000033048348	132501519	/nfs/dbraw/zinc/50/15/19/132501519.db2.gz	FGGLZJNNBMAKED-UHFFFAOYSA-N	2	0	416.595	2.357	50	0		HEAARP
COc1ccc(C[NH2+]Cc2cccc(C)c2)cc1OC[C@H](O)CN1CC[NH+](C)CC1	ZINC000020598639	524072984	/nfs/dbraw/zinc/07/29/84/524072984.db2.gz	OMAPSWSXOMQXQS-JOCHJYFZSA-N	2	0	413.562	2.281	50	0		HEAARP
CC[NH+]1CCN(C[C@@H](O)COc2cccc(C[NH2+]Cc3cccc(OC)c3)c2)CC1	ZINC000019841151	558294157	/nfs/dbraw/zinc/29/41/57/558294157.db2.gz	ROZPEQHZIPAKEX-JOCHJYFZSA-N	2	0	413.562	2.362	50	0		HEAARP
CC[NH+](CC)C[C@H](O)COc1ccc(C[NH2+]CCn2nc(C)cc2C)cc1OC	ZINC000012463589	558419854	/nfs/dbraw/zinc/41/98/54/558419854.db2.gz	KRTCWMHZCSUWCO-FQEVSTJZSA-N	2	0	404.555	2.380	50	0		HEAARP
O[C@H](COc1cccc(C[NH2+]CCc2ccc(F)cc2)c1)C[NH+]1CCC(O)CC1	ZINC000012385582	558499424	/nfs/dbraw/zinc/49/94/24/558499424.db2.gz	BDKPABHMDZNQAT-QFIPXVFZSA-N	2	0	402.510	2.354	50	0		HEAARP
CCC[NH+]1CCN(c2ncnc3sc(C(=O)NCC[NH+]4CCCC4)c(C)c32)CC1	ZINC000033048396	558885534	/nfs/dbraw/zinc/88/55/34/558885534.db2.gz	JTOJYXMIGANJGB-UHFFFAOYSA-N	2	0	416.595	2.357	50	0		HEAARP
COc1cc(CN2CC([NH+]3CCCCC3)C2)ccc1OC[C@@H](O)C[NH+]1CCCC1	ZINC000095522783	559085626	/nfs/dbraw/zinc/08/56/26/559085626.db2.gz	HOPYVAXMNLBEQK-NRFANRHFSA-N	2	0	403.567	2.201	50	0		HEAARP
O=C(CN(C(=O)c1ccccc1)C1CC[NH+](Cc2ccccc2)CC1)N1CC[NH2+]CC1	ZINC000021535059	568711831	/nfs/dbraw/zinc/71/18/31/568711831.db2.gz	OAKNKEYPECDWMR-UHFFFAOYSA-N	2	0	420.557	2.225	50	0		HEAARP