smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O[C@H](COc1ccccc1C[NH+]1CCN(c2ncccn2)CC1)C[NH+]1CCCCC1	ZINC000012575304	132364506	/nfs/dbraw/zinc/36/45/06/132364506.db2.gz	CCBFXHAYSPSUJF-NRFANRHFSA-N	2	1	411.550	2.024	50	0		HEAAMP
COc1cc(C[N@@H+]2CCN(C3CC[NH+](C(C)C)CC3)C[C@@H]2CCO)cc(OC)c1	ZINC000019228934	558853205	/nfs/dbraw/zinc/85/32/05/558853205.db2.gz	RKCRVNCHKQIKRW-NRFANRHFSA-N	2	1	405.583	2.445	50	0		HEAAMP
COc1cc(C[N@H+]2CCN(C3CC[NH+](C(C)C)CC3)C[C@@H]2CCO)cc(OC)c1	ZINC000019228934	558853208	/nfs/dbraw/zinc/85/32/08/558853208.db2.gz	RKCRVNCHKQIKRW-NRFANRHFSA-N	2	1	405.583	2.445	50	0		HEAAMP
CC(C)C[N@@H+](C)CCCN1CC2(CCN(C(=O)[C@H]([NH3+])c3ccccc3)CC2)OC1=O	ZINC000077524717	559008347	/nfs/dbraw/zinc/00/83/47/559008347.db2.gz	LQCPYEUQTBOKAV-HXUWFJFHSA-N	2	1	416.566	2.478	50	0		HEAAMP
Cn1ccnc1CNC(=O)[C@H]1CCC[N@H+](C2CC[NH+](C3Cc4ccccc4C3)CC2)C1	ZINC000091872629	559074312	/nfs/dbraw/zinc/07/43/12/559074312.db2.gz	BILAHSCMNRHNLC-NRFANRHFSA-N	2	1	421.589	2.380	50	0		HEAAMP
C[NH+](C)CCOc1ccc(NC(=O)C(=O)NCC[N@@H+](C)C2CCCC2)cc1Cl	ZINC000089314367	569058484	/nfs/dbraw/zinc/05/84/84/569058484.db2.gz	AVCOJWRPXXQQPE-UHFFFAOYSA-N	2	1	410.946	2.210	50	0		HEAAMP
COc1ccccc1C[N@H+]1CCC[C@H](CN(CC[NH+](C)C)C(=O)c2ccnn2C)C1	ZINC000011878589	558293112	/nfs/dbraw/zinc/29/31/12/558293112.db2.gz	KOMLSDSLVYFMJJ-IBGZPJMESA-N	2	1	413.566	2.345	50	0		HEAAMP
CCN(C[C@H]1CCC[N@H+](CCc2cccc(OC)c2)C1)C(=O)C[NH+]1CCC(O)CC1	ZINC000011879975	558294752	/nfs/dbraw/zinc/29/47/52/558294752.db2.gz	BAHRBXSYQLNTBF-NRFANRHFSA-N	2	1	417.594	2.255	50	0		HEAAMP
CCN(C[C@H]1CCC[N@@H+](CCc2cccc(OC)c2)C1)C(=O)C[NH+]1CCC(O)CC1	ZINC000011879975	558294755	/nfs/dbraw/zinc/29/47/55/558294755.db2.gz	BAHRBXSYQLNTBF-NRFANRHFSA-N	2	1	417.594	2.255	50	0		HEAAMP
CCN(C[C@H]1CCC[N@H+](CCc2cccc(F)c2)C1)C(=O)C[NH+]1CCC(O)CC1	ZINC000011996698	558306827	/nfs/dbraw/zinc/30/68/27/558306827.db2.gz	UZBTXGNANGUCPF-FQEVSTJZSA-N	2	1	405.558	2.385	50	0		HEAAMP
CCN(C[C@H]1CCC[N@@H+](CCc2cccc(F)c2)C1)C(=O)C[NH+]1CCC(O)CC1	ZINC000011996698	558306829	/nfs/dbraw/zinc/30/68/29/558306829.db2.gz	UZBTXGNANGUCPF-FQEVSTJZSA-N	2	1	405.558	2.385	50	0		HEAAMP
C[NH+](C)CCN(C[C@H]1CCC[N@@H+](Cc2ccccc2F)C1)C(=O)CN1CCCC1=O	ZINC000012443622	558412984	/nfs/dbraw/zinc/41/29/84/558412984.db2.gz	NEBKPZKXAJCDBP-IBGZPJMESA-N	2	1	418.557	2.050	50	0		HEAAMP
COC(=O)CCC(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@@H+](Cc2ccccc2F)C1	ZINC000012711754	558453085	/nfs/dbraw/zinc/45/30/85/558453085.db2.gz	DFSWWIXPHDAAPT-GOSISDBHSA-N	2	1	407.530	2.381	50	0		HEAAMP
NC(=O)C[NH+]1CCC(C(=O)N2CC[C@@]3(C2)CCC[N@H+](CC2CCCCC2)C3)CC1	ZINC000012764171	558461616	/nfs/dbraw/zinc/46/16/16/558461616.db2.gz	ZHMPHNVIBABZDD-QHCPKHFHSA-N	2	1	404.599	2.079	50	0		HEAAMP
NC(=O)C[NH+]1CCC(C(=O)N2CC[C@@]3(C2)CCC[N@@H+](CC2CCCCC2)C3)CC1	ZINC000012764171	558461619	/nfs/dbraw/zinc/46/16/19/558461619.db2.gz	ZHMPHNVIBABZDD-QHCPKHFHSA-N	2	1	404.599	2.079	50	0		HEAAMP
CCCCNC(=O)[C@@H]1C[C@H](CN2CC[NH+](C)CC2)C[N@@H+](CCc2ccccc2)C1	ZINC000023352462	558550896	/nfs/dbraw/zinc/55/08/96/558550896.db2.gz	ATHWVHRVBOXMFP-DHIUTWEWSA-N	2	1	400.611	2.331	50	0		HEAAMP
Cc1cc(C)cc(C(=O)N(CCC(=O)N2CC[NH2+]CC2)CC[N@@H+]2CCCC[C@@H]2C)c1	ZINC000035422032	558791729	/nfs/dbraw/zinc/79/17/29/558791729.db2.gz	IWBLPBOGBOWJBF-NRFANRHFSA-N	2	1	414.594	2.442	50	0		HEAAMP
O=C([C@H]1CCC[N@H+](C2CC[NH+](C3Cc4ccccc4C3)CC2)C1)N1CCC[NH2+]CC1	ZINC000082097425	559037595	/nfs/dbraw/zinc/03/75/95/559037595.db2.gz	MLQWLNPJUUMGQD-QFIPXVFZSA-N	3	1	410.606	2.152	50	0		HEAAMP
O=C([C@H]1CCC[N@@H+](C2CCN(C3Cc4ccccc4C3)CC2)C1)N1CCC[NH2+]CC1	ZINC000082097425	559037596	/nfs/dbraw/zinc/03/75/96/559037596.db2.gz	MLQWLNPJUUMGQD-QFIPXVFZSA-N	2	1	410.606	2.152	50	0		HEAAMP
O=C([C@H]1CCC[N@H+](C2CCN(C3Cc4ccccc4C3)CC2)C1)N1CCC[NH2+]CC1	ZINC000082097425	559037597	/nfs/dbraw/zinc/03/75/97/559037597.db2.gz	MLQWLNPJUUMGQD-QFIPXVFZSA-N	2	1	410.606	2.152	50	0		HEAAMP
Nc1cc[nH+]c(N2CCC([N@@H+]3CCC[C@H](C(=O)NCCc4ccccc4)C3)CC2)n1	ZINC000082138734	559040629	/nfs/dbraw/zinc/04/06/29/559040629.db2.gz	RHOBSWREDQLQER-IBGZPJMESA-N	2	1	408.550	2.099	50	0		HEAAMP
Nc1cc[nH+]c(N2CCC([N@H+]3CCC[C@H](C(=O)NCCc4ccccc4)C3)CC2)n1	ZINC000082138734	559040630	/nfs/dbraw/zinc/04/06/30/559040630.db2.gz	RHOBSWREDQLQER-IBGZPJMESA-N	2	1	408.550	2.099	50	0		HEAAMP
COc1ccc(C[N@H+](C)Cc2cnn(C)c2)cc1OC[C@H](O)C[NH+]1CCCCC1	ZINC000095510912	559083839	/nfs/dbraw/zinc/08/38/39/559083839.db2.gz	OOMXETGNNJSSNB-HXUWFJFHSA-N	2	1	402.539	2.286	50	0		HEAAMP
COc1ccc(C[N@@H+](C)Cc2cnn(C)c2)cc1OC[C@H](O)C[NH+]1CCCCC1	ZINC000095510912	559083841	/nfs/dbraw/zinc/08/38/41/559083841.db2.gz	OOMXETGNNJSSNB-HXUWFJFHSA-N	2	1	402.539	2.286	50	0		HEAAMP
C[C@H](CCN1CC[NH+](C)CC1)NC(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1	ZINC000170598137	569242415	/nfs/dbraw/zinc/24/24/15/569242415.db2.gz	ZAOXGROPQOBMIB-LJQANCHMSA-N	2	1	419.639	2.425	50	0		HEAAMP
COc1ccccc1N1CC[NH+]([C@@H]2CCCN(C(=O)C3CC[NH+](C)CC3)C2)CC1	ZINC000011668101	537069308	/nfs/dbraw/zinc/06/93/08/537069308.db2.gz	PNHOSGSMCMTIGZ-HXUWFJFHSA-N	2	1	400.567	2.150	50	0		HEAAMP
COc1ccc(C[N@@H+](C)CCc2cnn(C)c2)cc1OC[C@@H](O)C[NH+]1CCCCC1	ZINC000011817834	558281224	/nfs/dbraw/zinc/28/12/24/558281224.db2.gz	BVQRBIVOSWIEKK-NRFANRHFSA-N	2	1	416.566	2.329	50	0		HEAAMP
Cc1ccc(C)c(C[N@@H+]2CCc3nnc([C@H](C)NC(=O)C4CC[NH+](C)CC4)n3CC2)c1	ZINC000011972036	558305099	/nfs/dbraw/zinc/30/50/99/558305099.db2.gz	RZRSWHGYAAEMJB-IBGZPJMESA-N	2	1	424.593	2.472	50	0		HEAAMP
CC(=O)Nc1ccc(C[N@@H+]2CCN(C3CC[NH+](C(C)C)CC3)[C@@H](CCO)C2)cc1	ZINC000023360352	558551868	/nfs/dbraw/zinc/55/18/68/558551868.db2.gz	MIKGDPKVVHPGKH-QHCPKHFHSA-N	2	1	402.583	2.386	50	0		HEAAMP
COc1cc(C[NH+]2CCC3(C[C@@H]3C(=O)N3CCC[N@@H+](C)CC3)CC2)cc(OC)c1	ZINC000014964102	558685170	/nfs/dbraw/zinc/68/51/70/558685170.db2.gz	PDDWCQBJXUAXCA-OAQYLSRUSA-N	2	1	401.551	2.470	50	0		HEAAMP
CC(C)(CO)CNC(=O)[C@H]1CCC[N@H+](C2CC[NH+](C3Cc4ccccc4C3)CC2)C1	ZINC000091526312	559071943	/nfs/dbraw/zinc/07/19/43/559071943.db2.gz	QTRROEPHHRJGAQ-NRFANRHFSA-N	2	1	413.606	2.465	50	0		HEAAMP
COC(=O)C1CC[NH+](C[C@@H](O)COc2ccc(C[N@@H+]3CC=C(C)CC3)cc2)CC1	ZINC000095528072	559086320	/nfs/dbraw/zinc/08/63/20/559086320.db2.gz	JBHDRUBMVSLYEJ-OAQYLSRUSA-N	2	1	402.535	2.463	50	0		HEAAMP
CCc1cc(NC[C@@H]2CN(CC3CC[NH+](CC4CC4)CC3)C(=O)CO2)nc(C)[nH+]1	ZINC000299782038	568875099	/nfs/dbraw/zinc/87/50/99/568875099.db2.gz	XANGGHDIFNJPIG-HXUWFJFHSA-N	2	1	401.555	2.109	50	0		HEAAMP
COc1ccc(OC)c(C[N@@H+]2CCN(C3CC[NH+](C(C)C)CC3)[C@H](CCO)C2)c1	ZINC000104292841	569008208	/nfs/dbraw/zinc/00/82/08/569008208.db2.gz	JAWCTOPJTAVLMX-OAQYLSRUSA-N	2	1	405.583	2.445	50	0		HEAAMP
COc1ccc(OC)c(C[N@H+]2CCN(C3CC[NH+](C(C)C)CC3)[C@H](CCO)C2)c1	ZINC000104292841	569008209	/nfs/dbraw/zinc/00/82/09/569008209.db2.gz	JAWCTOPJTAVLMX-OAQYLSRUSA-N	2	1	405.583	2.445	50	0		HEAAMP
COc1ccc(C[N@@H+]2CCN(C3CC[NH+](C(C)C)CC3)[C@H](CCO)C2)c(OC)c1	ZINC000106722490	569009241	/nfs/dbraw/zinc/00/92/41/569009241.db2.gz	FLDOWZCOUDYYLI-OAQYLSRUSA-N	2	1	405.583	2.445	50	0		HEAAMP
COc1ccc(C[N@H+]2CCN(C3CC[NH+](C(C)C)CC3)[C@H](CCO)C2)c(OC)c1	ZINC000106722490	569009242	/nfs/dbraw/zinc/00/92/42/569009242.db2.gz	FLDOWZCOUDYYLI-OAQYLSRUSA-N	2	1	405.583	2.445	50	0		HEAAMP
c1[nH]c2ccccc2c1CC[NH2+]C1(c2nnnn2CCC[NH+]2CCOCC2)CCCC1	ZINC000575443682	569028530	/nfs/dbraw/zinc/02/85/30/569028530.db2.gz	HTONCKJYFFPGGK-UHFFFAOYSA-N	2	1	423.565	2.478	50	0		HEAAMP
O=C(C[C@H]1C(=O)NCC[N@H+]1C1CCCC1)NCC1CC[NH+](Cc2ccccc2)CC1	ZINC000011775727	558274848	/nfs/dbraw/zinc/27/48/48/558274848.db2.gz	DRFBIMYQGFYIGH-QFIPXVFZSA-N	2	1	412.578	2.148	50	0		HEAAMP
COc1ccc(C[NH2+]CCc2ccccc2)c(OC[C@H](O)C[NH+]2CCN(C)CC2)c1	ZINC000020993551	558426147	/nfs/dbraw/zinc/42/61/47/558426147.db2.gz	OOUTVJNESRGADL-JOCHJYFZSA-N	2	1	413.562	2.015	50	0		HEAAMP
COc1ccc(C(=O)NCC[N@H+]2CCC[C@H](O)C2)cc1OC1CC[NH+](C(C)C)CC1	ZINC000012592363	558436159	/nfs/dbraw/zinc/43/61/59/558436159.db2.gz	HTFRFKIUVPZNJH-IBGZPJMESA-N	2	1	419.566	2.133	50	0		HEAAMP
CCc1ccc(C[N@@H+]2CCc3nnc([C@@H](C)NC(=O)C4CC[NH+](C)CC4)n3CC2)o1	ZINC000015004457	558698848	/nfs/dbraw/zinc/69/88/48/558698848.db2.gz	FGUWZDVZLCHPPS-MRXNPFEDSA-N	2	1	414.554	2.011	50	0		HEAAMP
C[C@@H]1CCCC[N@H+]1CCN(CCC(=O)N1CC[NH2+]CC1)C(=O)c1ccc(Cl)cc1	ZINC000035422038	558791844	/nfs/dbraw/zinc/79/18/44/558791844.db2.gz	AOOBMHJPGAYGLX-GOSISDBHSA-N	2	1	420.985	2.479	50	0		HEAAMP
Cn1ccnc1CNC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](CCc3ccccc3)CC2)C1	ZINC000039445850	558821333	/nfs/dbraw/zinc/82/13/33/558821333.db2.gz	YVMRNPXYEFQNSP-NRFANRHFSA-N	2	1	409.578	2.455	50	0		HEAAMP
Cn1ccnc1CNC(=O)[C@H]1CCC[N@H+](C2CC[NH+](CCc3ccccc3)CC2)C1	ZINC000039445850	558821334	/nfs/dbraw/zinc/82/13/34/558821334.db2.gz	YVMRNPXYEFQNSP-NRFANRHFSA-N	2	1	409.578	2.455	50	0		HEAAMP
COc1ccc(C[NH2+]CCC[NH+]2CCCC2)cc1OC[C@H](O)C[NH+]1CCCCC1	ZINC000055227847	558877000	/nfs/dbraw/zinc/87/70/00/558877000.db2.gz	MWCOKAQAOPPSDQ-OAQYLSRUSA-N	3	1	405.583	2.496	50	0		HEAAMP
Cc1c(C(=O)NCC[N@@H+]2CCCC[C@H]2C)sc2ncnc(N3CC[NH+](C)CC3)c12	ZINC000033048283	558885215	/nfs/dbraw/zinc/88/52/15/558885215.db2.gz	LIJQWQYFPJDSEN-OAHLLOKOSA-N	2	1	416.595	2.356	50	0		HEAAMP
Nc1cc(N2CCC([N@@H+]3CCC[C@@H](C(=O)NCCc4ccccc4)C3)CC2)nc[nH+]1	ZINC000082096572	559037364	/nfs/dbraw/zinc/03/73/64/559037364.db2.gz	MXSOZOJGZQNIEB-LJQANCHMSA-N	2	1	408.550	2.099	50	0		HEAAMP
Nc1cc(N2CCC([N@H+]3CCC[C@@H](C(=O)NCCc4ccccc4)C3)CC2)nc[nH+]1	ZINC000082096572	559037365	/nfs/dbraw/zinc/03/73/65/559037365.db2.gz	MXSOZOJGZQNIEB-LJQANCHMSA-N	2	1	408.550	2.099	50	0		HEAAMP
CN(CC[NH+]1CCCC1)C(=O)[C@@H]1CCC[N@H+](C2CCN(Cc3cccnc3)CC2)C1	ZINC000082106624	559038226	/nfs/dbraw/zinc/03/82/26/559038226.db2.gz	LQKXBDJMACJRRH-JOCHJYFZSA-N	2	1	413.610	2.312	50	0		HEAAMP
CN(CC[NH+](C)C)C(=O)[C@H]1CCC[N@H+](C2CC[NH+](C3Cc4ccccc4C3)CC2)C1	ZINC000091526670	559072003	/nfs/dbraw/zinc/07/20/03/559072003.db2.gz	NFIAYYKAHQMBSK-QFIPXVFZSA-N	3	1	412.622	2.350	50	0		HEAAMP
CN(CC[NH+](C)C)C(=O)[C@H]1CCC[N@@H+](C2CCN(C3Cc4ccccc4C3)CC2)C1	ZINC000091526670	559072004	/nfs/dbraw/zinc/07/20/04/559072004.db2.gz	NFIAYYKAHQMBSK-QFIPXVFZSA-N	2	1	412.622	2.350	50	0		HEAAMP
CN(CC[NH+](C)C)C(=O)[C@H]1CCC[N@H+](C2CCN(C3Cc4ccccc4C3)CC2)C1	ZINC000091526670	559072005	/nfs/dbraw/zinc/07/20/05/559072005.db2.gz	NFIAYYKAHQMBSK-QFIPXVFZSA-N	2	1	412.622	2.350	50	0		HEAAMP
O=CN1CCC[N@H+](Cc2cccc(OC[C@@H](O)C[NH+]3CCc4ccccc4C3)c2)CC1	ZINC000012298976	558368941	/nfs/dbraw/zinc/36/89/41/558368941.db2.gz	LHOMYMMZGHNFPQ-DEOSSOPVSA-N	2	1	423.557	2.149	50	0		HEAAMP
O=CN1CCC[NH+](Cc2cccc(OC[C@@H](O)C[N@@H+]3CCc4ccccc4C3)c2)CC1	ZINC000012298976	558368943	/nfs/dbraw/zinc/36/89/43/558368943.db2.gz	LHOMYMMZGHNFPQ-DEOSSOPVSA-N	2	1	423.557	2.149	50	0		HEAAMP
O=CN1CCC[NH+](Cc2cccc(OC[C@@H](O)C[N@H+]3CCc4ccccc4C3)c2)CC1	ZINC000012298976	558368948	/nfs/dbraw/zinc/36/89/48/558368948.db2.gz	LHOMYMMZGHNFPQ-DEOSSOPVSA-N	2	1	423.557	2.149	50	0		HEAAMP
COc1ccc(C[NH2+]CCCn2ccnc2C)cc1OC[C@H](O)C[N@@H+](C)C(C)C	ZINC000012302113	558371696	/nfs/dbraw/zinc/37/16/96/558371696.db2.gz	OVFHIJHPDXVYPV-HXUWFJFHSA-N	2	1	404.555	2.460	50	0		HEAAMP
COc1ccc(C[NH2+]CCCn2cc[nH+]c2C)cc1OC[C@H](O)C[N@H+](C)C(C)C	ZINC000012302113	558371699	/nfs/dbraw/zinc/37/16/99/558371699.db2.gz	OVFHIJHPDXVYPV-HXUWFJFHSA-N	3	1	404.555	2.460	50	0		HEAAMP
COc1ccc(C[NH2+]CCCn2cc[nH+]c2C)cc1OC[C@H](O)C[N@@H+](C)C(C)C	ZINC000012302113	558371702	/nfs/dbraw/zinc/37/17/02/558371702.db2.gz	OVFHIJHPDXVYPV-HXUWFJFHSA-N	3	1	404.555	2.460	50	0		HEAAMP
C[NH+](C)CCN(C[C@@H]1CCC[N@@H+](Cc2ccccc2F)C1)C(=O)CCn1cncn1	ZINC000012386180	558394987	/nfs/dbraw/zinc/39/49/87/558394987.db2.gz	MFMHXTSDZJREHB-LJQANCHMSA-N	2	1	416.545	2.110	50	0		HEAAMP
COc1cc(C[N@@H+](C)CCn2nc(C)cc2C)ccc1OC[C@@H](O)C[NH+]1CCCC1	ZINC000012476564	558422866	/nfs/dbraw/zinc/42/28/66/558422866.db2.gz	VGFMYPGFYPYQEG-NRFANRHFSA-N	2	1	416.566	2.476	50	0		HEAAMP
C[N@@H+](CCCN1CC2(CCN(C(=O)[C@H]3CCC[NH2+]3)CC2)OC1=O)C1CCCCC1	ZINC000077376782	559002714	/nfs/dbraw/zinc/00/27/14/559002714.db2.gz	JKUNSRFXMNWZMS-LJQANCHMSA-N	2	1	406.571	2.206	50	0		HEAAMP
CN(CC[NH+]1CCCC1)C(=O)[C@@H]1CCC[N@H+](C2CCN(Cc3ccncc3)CC2)C1	ZINC000091548809	559072161	/nfs/dbraw/zinc/07/21/61/559072161.db2.gz	QNEZIRQMJSRNLK-JOCHJYFZSA-N	2	1	413.610	2.312	50	0		HEAAMP
CNC(=O)CCN(C)C(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](CCc3ccccc3)CC2)C1	ZINC000091707874	559073188	/nfs/dbraw/zinc/07/31/88/559073188.db2.gz	LMNIEXAHJAFSRL-OAQYLSRUSA-N	2	1	414.594	2.000	50	0		HEAAMP
CNC(=O)CCN(C)C(=O)[C@@H]1CCC[N@H+](C2CC[NH+](CCc3ccccc3)CC2)C1	ZINC000091707874	559073190	/nfs/dbraw/zinc/07/31/90/559073190.db2.gz	LMNIEXAHJAFSRL-OAQYLSRUSA-N	2	1	414.594	2.000	50	0		HEAAMP
CC[NH+]1CCC(N2CCC([N@H+]3CCC[C@H](C(=O)NCc4ccccn4)C3)CC2)CC1	ZINC000091845403	559074054	/nfs/dbraw/zinc/07/40/54/559074054.db2.gz	AFXSFUXCFJENLC-FQEVSTJZSA-N	2	1	413.610	2.359	50	0		HEAAMP
CCN(C)c1cc[nH+]c(N2CC[C@@H]3C[C@H]([NH+]4CCOCC4)CC[C@@]3(COC)C2)n1	ZINC000095358135	559079857	/nfs/dbraw/zinc/07/98/57/559079857.db2.gz	OTAGPSVYENLODH-KNKQGSTJSA-N	2	1	403.571	2.277	50	0		HEAAMP
CCNc1ncc(C[N@H+]2CC[C@@H]3C[C@H]([NH+]4CCOCC4)CC[C@@]3(COC)C2)cn1	ZINC000095354703	559079877	/nfs/dbraw/zinc/07/98/77/559079877.db2.gz	MHFKKARCIRPTSE-SJBKTWHCSA-N	2	1	403.571	2.248	50	0		HEAAMP
COCc1nnc([C@@H]2CC3(C[N@@H+]2C)CCN(C(=O)C[NH+]2CCCCCC2)CC3)o1	ZINC000581802917	1078772495	/nfs/dbraw/zinc/77/24/95/1078772495.db2.gz	RCUMQGWCSKWXQC-KRWDZBQOSA-N	2	1	405.543	2.077	50	0		HEAAMP
COCc1nnc([C@@H]2CC3(C[N@H+]2C)CCN(C(=O)C[NH+]2CCCCCC2)CC3)o1	ZINC000581802917	1078772500	/nfs/dbraw/zinc/77/25/00/1078772500.db2.gz	RCUMQGWCSKWXQC-KRWDZBQOSA-N	2	1	405.543	2.077	50	0		HEAAMP
COc1ccccc1C[N@H+]1CCC[C@@H](CN(CC[NH+](C)C)C(=O)Cn2cccn2)C1	ZINC000012053437	558314960	/nfs/dbraw/zinc/31/49/60/558314960.db2.gz	HGVWYCNPBDSAMC-HXUWFJFHSA-N	2	1	413.566	2.194	50	0		HEAAMP
CC[NH+](CC)C[C@H](O)COc1ccc(C[NH2+]CCCn2cc[nH+]c2C)cc1OC	ZINC000012429368	558404232	/nfs/dbraw/zinc/40/42/32/558404232.db2.gz	UTYIMDUWFCVGBT-FQEVSTJZSA-N	3	1	404.555	2.462	50	0		HEAAMP
Cc1ccccc1C[NH+]1CCC([NH+]2CCC(C(=O)NC[C@H]3COCCO3)CC2)CC1	ZINC000012581123	558432688	/nfs/dbraw/zinc/43/26/88/558432688.db2.gz	XBVSBYCFCUTKPY-QHCPKHFHSA-N	2	1	415.578	2.203	50	0		HEAAMP
COc1cc(C[NH+]2CCC3(C[C@H]3C(=O)N3CCC[N@@H+](C)CC3)CC2)cc(OC)c1	ZINC000014964106	558685121	/nfs/dbraw/zinc/68/51/21/558685121.db2.gz	PDDWCQBJXUAXCA-NRFANRHFSA-N	2	1	401.551	2.470	50	0		HEAAMP
COC(=O)C1CC[NH+](Cc2ccc(OC)c(OC[C@H](O)C[N@@H+](C)C(C)C)c2)CC1	ZINC000015063799	558706485	/nfs/dbraw/zinc/70/64/85/558706485.db2.gz	GRWILGNLMDVSNU-LJQANCHMSA-N	2	1	408.539	2.160	50	0		HEAAMP
O=C(NC1CC[NH2+]CC1)[C@H]1CCC[N@H+](C2CC[NH+](C3Cc4ccccc4C3)CC2)C1	ZINC000082136735	559040206	/nfs/dbraw/zinc/04/02/06/559040206.db2.gz	QSWMSPFZFOJOHC-NRFANRHFSA-N	3	1	410.606	2.198	50	0		HEAAMP
O=C(NC1CC[NH2+]CC1)[C@H]1CCC[N@@H+](C2CCN(C3Cc4ccccc4C3)CC2)C1	ZINC000082136735	559040207	/nfs/dbraw/zinc/04/02/07/559040207.db2.gz	QSWMSPFZFOJOHC-NRFANRHFSA-N	2	1	410.606	2.198	50	0		HEAAMP
O=C(NC1CC[NH2+]CC1)[C@H]1CCC[N@H+](C2CCN(C3Cc4ccccc4C3)CC2)C1	ZINC000082136735	559040208	/nfs/dbraw/zinc/04/02/08/559040208.db2.gz	QSWMSPFZFOJOHC-NRFANRHFSA-N	2	1	410.606	2.198	50	0		HEAAMP
O=C(NCC[NH+]1CCCCC1)[C@@H]1CCC[N@H+](C2CCN(Cc3ccncc3)CC2)C1	ZINC000082147311	559040794	/nfs/dbraw/zinc/04/07/94/559040794.db2.gz	QPXBENVFVVLVDR-JOCHJYFZSA-N	2	1	413.610	2.360	50	0		HEAAMP
CC(C)(CO)CNC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](C3Cc4ccccc4C3)CC2)C1	ZINC000091526311	559071963	/nfs/dbraw/zinc/07/19/63/559071963.db2.gz	QTRROEPHHRJGAQ-OAQYLSRUSA-N	2	1	413.606	2.465	50	0		HEAAMP
CCN(C[C@@H]1CCC[N@H+](CCc2cccc(OC)c2)C1)C(=O)C[NH+]1CCC(O)CC1	ZINC000011879974	558294721	/nfs/dbraw/zinc/29/47/21/558294721.db2.gz	BAHRBXSYQLNTBF-OAQYLSRUSA-N	2	1	417.594	2.255	50	0		HEAAMP
CCN(C[C@@H]1CCC[N@@H+](CCc2cccc(OC)c2)C1)C(=O)C[NH+]1CCC(O)CC1	ZINC000011879974	558294723	/nfs/dbraw/zinc/29/47/23/558294723.db2.gz	BAHRBXSYQLNTBF-OAQYLSRUSA-N	2	1	417.594	2.255	50	0		HEAAMP
CCN1CC[NH+](C[C@H](O)COc2cccc(C[NH2+]CCCc3cccnc3)c2)CC1	ZINC000020109808	558335067	/nfs/dbraw/zinc/33/50/67/558335067.db2.gz	GUWWUCOUTFVGON-QHCPKHFHSA-N	2	1	412.578	2.181	50	0		HEAAMP
C[NH+](C)CCCNC(=O)[C@@H]1C[C@H](C[NH+]2CCCC2)C[N@@H+](CCc2ccccc2)C1	ZINC000014753323	558671286	/nfs/dbraw/zinc/67/12/86/558671286.db2.gz	XPMWABKQZCXKOA-DHIUTWEWSA-N	3	1	400.611	2.331	50	0		HEAAMP
C[NH+](C)CCCNC(=O)[C@@H]1C[C@H](CN2CCCC2)C[N@H+](CCc2ccccc2)C1	ZINC000014753323	558671288	/nfs/dbraw/zinc/67/12/88/558671288.db2.gz	XPMWABKQZCXKOA-DHIUTWEWSA-N	2	1	400.611	2.331	50	0		HEAAMP
C[NH+](C)CCCNC(=O)[C@@H]1C[C@H](CN2CCCC2)C[N@@H+](CCc2ccccc2)C1	ZINC000014753323	558671292	/nfs/dbraw/zinc/67/12/92/558671292.db2.gz	XPMWABKQZCXKOA-DHIUTWEWSA-N	2	1	400.611	2.331	50	0		HEAAMP
C[NH+](C)CCNC(=O)[C@@H]1C[C@@H](Sc2ccccn2)C[N@H+]1C1Cc2ccccc2C1	ZINC000014993199	558695268	/nfs/dbraw/zinc/69/52/68/558695268.db2.gz	LQVTZYOCSZMEHB-RTWAWAEBSA-N	2	1	410.587	2.462	50	0		HEAAMP
O=C(NCc1ccccn1)[C@H]1CCC[N@@H+](C2CCN(c3[nH+]cnc4[nH]ccc43)CC2)C1	ZINC000071764548	558910676	/nfs/dbraw/zinc/91/06/76/558910676.db2.gz	JBMOJLNVVKIUDM-KRWDZBQOSA-N	2	1	419.533	2.350	50	0		HEAAMP
O=C(NCc1ccccn1)[C@H]1CCC[N@H+](C2CCN(c3[nH+]cnc4[nH]ccc43)CC2)C1	ZINC000071764548	558910678	/nfs/dbraw/zinc/91/06/78/558910678.db2.gz	JBMOJLNVVKIUDM-KRWDZBQOSA-N	2	1	419.533	2.350	50	0		HEAAMP
C[NH+](C)C1CCN(C(=O)[C@@H]2CCC[N@H+](C3CCN(Cc4ccncc4)CC3)C2)CC1	ZINC000091462557	559071867	/nfs/dbraw/zinc/07/18/67/559071867.db2.gz	XCTHESPGLBMOMO-OAQYLSRUSA-N	2	1	413.610	2.311	50	0		HEAAMP
CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)C(=O)N1CCN(c2ncccn2)CC1	ZINC000108503114	568418971	/nfs/dbraw/zinc/41/89/71/568418971.db2.gz	CRRZLVCTTOYNLO-AABGKKOBSA-N	2	1	402.587	2.004	50	0		HEAAMP
CC[N@H+]1CCC[C@H]1CN(CC1CC[NH+](CCOC)CC1)C(=O)c1cnc(C)cn1	ZINC000011844240	558288937	/nfs/dbraw/zinc/28/89/37/558288937.db2.gz	YMPFTOXMAKRVSX-FQEVSTJZSA-N	2	1	403.571	2.070	50	0		HEAAMP
CC[N@H+]1CCC[C@@H]1CN(CC1CC[NH+](CCOC)CC1)C(=O)CCN1CCCCO1	ZINC000012075322	558319414	/nfs/dbraw/zinc/31/94/14/558319414.db2.gz	BVLLKQOXWJDCKT-JOCHJYFZSA-N	2	1	424.630	2.075	50	0		HEAAMP
COc1ccc(C[N@@H+](C)Cc2cccs2)cc1OC[C@H](O)CN1CC[NH+](C)CC1	ZINC000022913788	558520610	/nfs/dbraw/zinc/52/06/10/558520610.db2.gz	GBKFNHIEZUGOMQ-LJQANCHMSA-N	2	1	419.591	2.376	50	0		HEAAMP
COc1ccc(C[N@@H+]2CCN(C3CC[NH+](C(C)C)CC3)[C@@H](CCO)C2)cc1OC	ZINC000023359354	558551396	/nfs/dbraw/zinc/55/13/96/558551396.db2.gz	LCZWFPDBAYCJDQ-NRFANRHFSA-N	2	1	405.583	2.445	50	0		HEAAMP
COc1ccc(C[N@H+]2CCN(C3CC[NH+](C(C)C)CC3)[C@@H](CCO)C2)cc1OC	ZINC000023359354	558551397	/nfs/dbraw/zinc/55/13/97/558551397.db2.gz	LCZWFPDBAYCJDQ-NRFANRHFSA-N	2	1	405.583	2.445	50	0		HEAAMP
Cc1cccc(C(=O)N(CCC(=O)N2CC[NH2+]CC2)CC[N@@H+]2CCCC[C@@H]2C)c1	ZINC000035422026	558791813	/nfs/dbraw/zinc/79/18/13/558791813.db2.gz	WTYUNURDYCSXOJ-FQEVSTJZSA-N	2	1	400.567	2.134	50	0		HEAAMP
Cn1ccnc1CNC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](C3Cc4ccccc4C3)CC2)C1	ZINC000091872626	559074447	/nfs/dbraw/zinc/07/44/47/559074447.db2.gz	BILAHSCMNRHNLC-OAQYLSRUSA-N	2	1	421.589	2.380	50	0		HEAAMP
CNC(=O)C(C)(C)NC(=O)[C@H]1CCC[N@H+](C2CCN(CCc3ccccc3)CC2)C1	ZINC000091974078	559074798	/nfs/dbraw/zinc/07/47/98/559074798.db2.gz	NVFNHFCLSNOZRD-FQEVSTJZSA-N	2	1	414.594	2.046	50	0		HEAAMP
CNC(=O)C(C)(C)NC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](CCc3ccccc3)CC2)C1	ZINC000091974078	559074799	/nfs/dbraw/zinc/07/47/99/559074799.db2.gz	NVFNHFCLSNOZRD-FQEVSTJZSA-N	2	1	414.594	2.046	50	0		HEAAMP
CNC(=O)C(C)(C)NC(=O)[C@H]1CCC[N@H+](C2CC[NH+](CCc3ccccc3)CC2)C1	ZINC000091974078	559074800	/nfs/dbraw/zinc/07/48/00/559074800.db2.gz	NVFNHFCLSNOZRD-FQEVSTJZSA-N	2	1	414.594	2.046	50	0		HEAAMP
Cc1oc2c(c1C(=O)NCCN1CC[NH+](C)CC1)C[N@H+](Cc1ccc(C)cc1)CC2	ZINC000065289710	569217942	/nfs/dbraw/zinc/21/79/42/569217942.db2.gz	ZTYWGNGHLZFIDQ-UHFFFAOYSA-N	2	1	410.562	2.432	50	0		HEAAMP
Cc1oc2c(c1C(=O)NCCN1CC[NH+](C)CC1)C[N@@H+](Cc1ccc(C)cc1)CC2	ZINC000065289710	569217944	/nfs/dbraw/zinc/21/79/44/569217944.db2.gz	ZTYWGNGHLZFIDQ-UHFFFAOYSA-N	2	1	410.562	2.432	50	0		HEAAMP
CCc1ccc(C[N@@H+]2CCc3nnc([C@H](C)NC(=O)C4CC[NH+](C)CC4)n3CC2)o1	ZINC000015004459	558698813	/nfs/dbraw/zinc/69/88/13/558698813.db2.gz	FGUWZDVZLCHPPS-INIZCTEOSA-N	2	1	414.554	2.011	50	0		HEAAMP
COc1ccc(CC[N@H+]2CCC[C@H](CN(C)C(=O)CC[NH+]3CCN(C)CC3)C2)cc1	ZINC000019336713	558870106	/nfs/dbraw/zinc/87/01/06/558870106.db2.gz	IZNQIONPWQYPIK-JOCHJYFZSA-N	2	1	416.610	2.046	50	0		HEAAMP
COc1ccc(CC[N@@H+]2CCC[C@H](CN(C)C(=O)CCN3CC[NH+](C)CC3)C2)cc1	ZINC000019336713	558870109	/nfs/dbraw/zinc/87/01/09/558870109.db2.gz	IZNQIONPWQYPIK-JOCHJYFZSA-N	2	1	416.610	2.046	50	0		HEAAMP
COc1ccc(CC[N@H+]2CCC[C@H](CN(C)C(=O)CCN3CC[NH+](C)CC3)C2)cc1	ZINC000019336713	558870112	/nfs/dbraw/zinc/87/01/12/558870112.db2.gz	IZNQIONPWQYPIK-JOCHJYFZSA-N	2	1	416.610	2.046	50	0		HEAAMP
COCC[N@@H+](C)CCN1CC2(CC[NH+](Cc3ccc4c(c3)C[C@H](C)O4)CC2)OC1=O	ZINC000072447111	558982606	/nfs/dbraw/zinc/98/26/06/558982606.db2.gz	AVRRVYGRCYEHEH-SFHVURJKSA-N	2	1	417.550	2.375	50	0		HEAAMP
COc1cc2c(cc1C[N@H+]1CC[C@H](N3CC[NH+](C)CC3)[C@H](CCCO)C1)CCC2	ZINC000095375365	559080380	/nfs/dbraw/zinc/08/03/80/559080380.db2.gz	ZJEZKIRLLCJQHJ-GGAORHGYSA-N	2	1	401.595	2.394	50	0		HEAAMP
COc1ccccc1N1CC[NH+]([C@H]2CCCN(C(=O)C3CC[NH+](C)CC3)C2)CC1	ZINC000011668100	537071001	/nfs/dbraw/zinc/07/10/01/537071001.db2.gz	PNHOSGSMCMTIGZ-FQEVSTJZSA-N	2	1	400.567	2.150	50	0		HEAAMP
COc1ccc(C[N@@H+](C)CCc2cnn(C)c2)cc1OC[C@H](O)C[NH+]1CCCCC1	ZINC000011817835	558281168	/nfs/dbraw/zinc/28/11/68/558281168.db2.gz	BVQRBIVOSWIEKK-OAQYLSRUSA-N	2	1	416.566	2.329	50	0		HEAAMP
COc1ccc(C[NH2+]CC2CCCCC2)c(OC[C@@H](O)C[NH+]2CCN(C)CC2)c1	ZINC000020992384	558426261	/nfs/dbraw/zinc/42/62/61/558426261.db2.gz	ZJWLLXGXFFFYBL-NRFANRHFSA-N	2	1	405.583	2.352	50	0		HEAAMP
CC(C)C[N@@H+]1C[C@H](C(=O)Nc2ccc(F)cc2)C[C@H](C(=O)NCCC[NH+](C)C)C1	ZINC000014733863	558666274	/nfs/dbraw/zinc/66/62/74/558666274.db2.gz	KDWKJMGFOQVWHF-ZWKOTPCHSA-N	2	1	406.546	2.426	50	0		HEAAMP
C[C@H]1CCCC[N@H+]1CCN(CCC(=O)N1CC[NH2+]CC1)C(=O)c1ccc(Cl)cc1	ZINC000035422039	558791882	/nfs/dbraw/zinc/79/18/82/558791882.db2.gz	AOOBMHJPGAYGLX-SFHVURJKSA-N	2	1	420.985	2.479	50	0		HEAAMP
CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)C(=O)N1CCN(c2ncccn2)CC1	ZINC000097164317	558998362	/nfs/dbraw/zinc/99/83/62/558998362.db2.gz	CRRZLVCTTOYNLO-SLFFLAALSA-N	2	1	402.587	2.004	50	0		HEAAMP
O=C(NCC[NH+]1CCCCC1)[C@H]1CCC[N@H+](C2CCN(Cc3cccnc3)CC2)C1	ZINC000082166396	559041990	/nfs/dbraw/zinc/04/19/90/559041990.db2.gz	KSPHGHSUGSJJKQ-QFIPXVFZSA-N	2	1	413.610	2.360	50	0		HEAAMP
COc1ccc(C[N@H+](C)Cc2cnn(C)c2)cc1OC[C@@H](O)C[NH+]1CCCCC1	ZINC000095510913	559083773	/nfs/dbraw/zinc/08/37/73/559083773.db2.gz	OOMXETGNNJSSNB-FQEVSTJZSA-N	2	1	402.539	2.286	50	0		HEAAMP
COc1ccc(C[N@@H+](C)Cc2cnn(C)c2)cc1OC[C@@H](O)C[NH+]1CCCCC1	ZINC000095510913	559083775	/nfs/dbraw/zinc/08/37/75/559083775.db2.gz	OOMXETGNNJSSNB-FQEVSTJZSA-N	2	1	402.539	2.286	50	0		HEAAMP
COC(=O)c1ccc(C[N@@H+]2CCN(C3CC[NH+](C(C)C)CC3)[C@H](CCO)C2)cc1	ZINC000104435665	569008619	/nfs/dbraw/zinc/00/86/19/569008619.db2.gz	OFNLNOXQYUKMIF-JOCHJYFZSA-N	2	1	403.567	2.215	50	0		HEAAMP
COC(=O)c1ccc(C[N@H+]2CCN(C3CC[NH+](C(C)C)CC3)[C@H](CCO)C2)cc1	ZINC000104435665	569008620	/nfs/dbraw/zinc/00/86/20/569008620.db2.gz	OFNLNOXQYUKMIF-JOCHJYFZSA-N	2	1	403.567	2.215	50	0		HEAAMP
COc1ccc(C[NH+]2CCC3(C[C@H](C(=O)N4CCOCC4)[N@@H+](C)C3)CC2)cc1C	ZINC000581802926	1078772435	/nfs/dbraw/zinc/77/24/35/1078772435.db2.gz	RJHLCWKYBYUTQK-HXUWFJFHSA-N	2	1	401.551	2.149	50	0		HEAAMP
CCN1CC[NH+](C[C@@H](O)COc2cccc(C[NH2+]CCc3cccc(C)n3)c2)CC1	ZINC000020535695	521684930	/nfs/dbraw/zinc/68/49/30/521684930.db2.gz	PMIYFNZSBNJNRH-HSZRJFAPSA-N	2	1	412.578	2.100	50	0		HEAAMP
Cc1nnc(SCC[NH2+]Cc2ccccc2OC[C@@H](O)C[NH+]2CCCCC2)[nH]1	ZINC000012093194	558324800	/nfs/dbraw/zinc/32/48/00/558324800.db2.gz	RDUNDLJCSKYEDO-SFHVURJKSA-N	2	1	405.568	2.221	50	0		HEAAMP
COc1ccc(CC[N@@H+]2CCC[C@@H](CN(C)C(=O)CC[NH+]3CCOCC3)C2)cc1	ZINC000012475727	558422521	/nfs/dbraw/zinc/42/25/21/558422521.db2.gz	CPIZSCGLBYMWTL-NRFANRHFSA-N	2	1	403.567	2.130	50	0		HEAAMP
COc1ccc(CC[N@H+]2CCC[C@@H](CN(C)C(=O)CC[NH+]3CCOCC3)C2)cc1	ZINC000012475727	558422523	/nfs/dbraw/zinc/42/25/23/558422523.db2.gz	CPIZSCGLBYMWTL-NRFANRHFSA-N	2	1	403.567	2.130	50	0		HEAAMP
COc1ccc(C(=O)NCC[N@H+]2CCC[C@@H](O)C2)cc1OC1CC[NH+](C(C)C)CC1	ZINC000012592358	558436151	/nfs/dbraw/zinc/43/61/51/558436151.db2.gz	HTFRFKIUVPZNJH-LJQANCHMSA-N	2	1	419.566	2.133	50	0		HEAAMP
CN(C(=O)[C@@H]1CCC[N@H+](C2CCN(Cc3cccnc3)CC2)C1)C1CC[NH+](C)CC1	ZINC000091270515	559070865	/nfs/dbraw/zinc/07/08/65/559070865.db2.gz	KIQZOCWMRIKZFR-OAQYLSRUSA-N	2	1	413.610	2.311	50	0		HEAAMP
CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+][C@H](C)C(=O)N1CCN(c2ncccn2)CC1	ZINC000108503119	568418978	/nfs/dbraw/zinc/41/89/78/568418978.db2.gz	CRRZLVCTTOYNLO-HSALFYBXSA-N	2	1	402.587	2.004	50	0		HEAAMP
CCN(CC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)c1n[nH]c(=O)c2ccccc21	ZINC000011817900	558281215	/nfs/dbraw/zinc/28/12/15/558281215.db2.gz	FVXLTNKGCILOET-UHFFFAOYSA-N	2	1	411.550	2.191	50	0		HEAAMP
CC[N@H+]1CCC[C@@H]1CN(CC1CC[NH+](CCOC)CC1)C(=O)c1cnc(C)cn1	ZINC000011844239	558289014	/nfs/dbraw/zinc/28/90/14/558289014.db2.gz	YMPFTOXMAKRVSX-HXUWFJFHSA-N	2	1	403.571	2.070	50	0		HEAAMP
CC[NH+](CC)C[C@@H](O)COc1cc(C[N@@H+](CC)CCn2cccn2)ccc1OC	ZINC000012430693	558405305	/nfs/dbraw/zinc/40/53/05/558405305.db2.gz	BMAQCKBOSGIIDR-HXUWFJFHSA-N	2	1	404.555	2.495	50	0		HEAAMP
CC[NH+]1CCN(CC(=O)N(C)C[C@H]2CCC[N@@H+](CCc3ccccc3C)C2)CC1	ZINC000020915164	558422821	/nfs/dbraw/zinc/42/28/21/558422821.db2.gz	PKRMKEGZEJWFBD-JOCHJYFZSA-N	2	1	400.611	2.345	50	0		HEAAMP
COc1cc(C[NH2+]CCn2nc(C)cc2C)ccc1OC[C@H](O)C[N@@H+](C)C(C)C	ZINC000012756975	558460333	/nfs/dbraw/zinc/46/03/33/558460333.db2.gz	JKSSORSUDSJNIW-HXUWFJFHSA-N	2	1	404.555	2.378	50	0		HEAAMP
CC[NH+](CC)CC1CC[NH+](CC(=O)Nc2ccc(C)c(S(=O)(=O)N(C)C)c2)CC1	ZINC000058306911	558918514	/nfs/dbraw/zinc/91/85/14/558918514.db2.gz	RIOGZCSTHHFUNO-UHFFFAOYSA-N	2	1	424.611	2.238	50	0		HEAAMP
Nc1cc(N2CCC([N@@H+]3CCC[C@H](C(=O)NCCc4ccccc4)C3)CC2)nc[nH+]1	ZINC000082096573	559037336	/nfs/dbraw/zinc/03/73/36/559037336.db2.gz	MXSOZOJGZQNIEB-IBGZPJMESA-N	2	1	408.550	2.099	50	0		HEAAMP
Nc1cc(N2CCC([N@H+]3CCC[C@H](C(=O)NCCc4ccccc4)C3)CC2)nc[nH+]1	ZINC000082096573	559037337	/nfs/dbraw/zinc/03/73/37/559037337.db2.gz	MXSOZOJGZQNIEB-IBGZPJMESA-N	2	1	408.550	2.099	50	0		HEAAMP
Nc1nc(N2CCC([N@@H+]3CCC[C@@H](C(=O)NCCc4ccccc4)C3)CC2)cc[nH+]1	ZINC000082107622	559038414	/nfs/dbraw/zinc/03/84/14/559038414.db2.gz	WMZYNHJNSXKPLU-LJQANCHMSA-N	2	1	408.550	2.099	50	0		HEAAMP
Nc1nc(N2CCC([N@H+]3CCC[C@@H](C(=O)NCCc4ccccc4)C3)CC2)cc[nH+]1	ZINC000082107622	559038416	/nfs/dbraw/zinc/03/84/16/559038416.db2.gz	WMZYNHJNSXKPLU-LJQANCHMSA-N	2	1	408.550	2.099	50	0		HEAAMP
O=C(NC1CC[NH2+]CC1)[C@@H]1CCC[N@H+](C2CC[NH+](C3Cc4ccccc4C3)CC2)C1	ZINC000082136736	559040158	/nfs/dbraw/zinc/04/01/58/559040158.db2.gz	QSWMSPFZFOJOHC-OAQYLSRUSA-N	3	1	410.606	2.198	50	0		HEAAMP
O=C(NC1CC[NH2+]CC1)[C@@H]1CCC[N@@H+](C2CCN(C3Cc4ccccc4C3)CC2)C1	ZINC000082136736	559040160	/nfs/dbraw/zinc/04/01/60/559040160.db2.gz	QSWMSPFZFOJOHC-OAQYLSRUSA-N	2	1	410.606	2.198	50	0		HEAAMP
O=C(NC1CC[NH2+]CC1)[C@@H]1CCC[N@H+](C2CCN(C3Cc4ccccc4C3)CC2)C1	ZINC000082136736	559040162	/nfs/dbraw/zinc/04/01/62/559040162.db2.gz	QSWMSPFZFOJOHC-OAQYLSRUSA-N	2	1	410.606	2.198	50	0		HEAAMP
COc1ccc(C[N@@H+]2CCN(C3CC[NH+](C(C)C)CC3)[C@H](CCO)C2)cc1OC	ZINC000104472210	569008777	/nfs/dbraw/zinc/00/87/77/569008777.db2.gz	LCZWFPDBAYCJDQ-OAQYLSRUSA-N	2	1	405.583	2.445	50	0		HEAAMP
COc1ccc(C[N@H+]2CCN(C3CC[NH+](C(C)C)CC3)[C@H](CCO)C2)cc1OC	ZINC000104472210	569008778	/nfs/dbraw/zinc/00/87/78/569008778.db2.gz	LCZWFPDBAYCJDQ-OAQYLSRUSA-N	2	1	405.583	2.445	50	0		HEAAMP
COc1ccccc1C[N@H+]1CCC[C@@H](CN(CC[NH+](C)C)C(=O)Cn2ccnc2)C1	ZINC000011816567	558279986	/nfs/dbraw/zinc/27/99/86/558279986.db2.gz	FOBVDXBVNCGBGD-HXUWFJFHSA-N	2	1	413.566	2.194	50	0		HEAAMP
COc1ccccc1C[N@H+]1CCC[C@@H](CN(CC[NH+](C)C)C(=O)c2ccnn2C)C1	ZINC000011878588	558293178	/nfs/dbraw/zinc/29/31/78/558293178.db2.gz	KOMLSDSLVYFMJJ-LJQANCHMSA-N	2	1	413.566	2.345	50	0		HEAAMP
CC[N@@H+](CCO)Cc1ccc(OC)c(OC[C@@H](O)C[NH+](C)Cc2ccccc2)c1	ZINC000012112148	558326544	/nfs/dbraw/zinc/32/65/44/558326544.db2.gz	BJTVYJBJPUFSCD-NRFANRHFSA-N	2	1	402.535	2.381	50	0		HEAAMP
CC[NH+](CCO)Cc1ccc(OC)c(OC[C@@H](O)C[N@H+](C)Cc2ccccc2)c1	ZINC000012112148	558326547	/nfs/dbraw/zinc/32/65/47/558326547.db2.gz	BJTVYJBJPUFSCD-NRFANRHFSA-N	2	1	402.535	2.381	50	0		HEAAMP
CC[NH+](CCO)Cc1ccc(OC)c(OC[C@@H](O)C[N@@H+](C)Cc2ccccc2)c1	ZINC000012112148	558326551	/nfs/dbraw/zinc/32/65/51/558326551.db2.gz	BJTVYJBJPUFSCD-NRFANRHFSA-N	2	1	402.535	2.381	50	0		HEAAMP
Cc1ccccc1C[NH+]1CCC([NH+]2CCC(C(=O)NC[C@@H]3COCCO3)CC2)CC1	ZINC000012581116	558432681	/nfs/dbraw/zinc/43/26/81/558432681.db2.gz	XBVSBYCFCUTKPY-HSZRJFAPSA-N	2	1	415.578	2.203	50	0		HEAAMP
COc1cc(C[NH2+]CCn2nc(C)cc2C)ccc1OC[C@@H](O)C[N@@H+](C)C(C)C	ZINC000012756971	558460324	/nfs/dbraw/zinc/46/03/24/558460324.db2.gz	JKSSORSUDSJNIW-FQEVSTJZSA-N	2	1	404.555	2.378	50	0		HEAAMP
COc1ccc(C[N@@H+](C)Cc2cccs2)cc1OC[C@@H](O)CN1CC[NH+](C)CC1	ZINC000022913782	558520524	/nfs/dbraw/zinc/52/05/24/558520524.db2.gz	GBKFNHIEZUGOMQ-IBGZPJMESA-N	2	1	419.591	2.376	50	0		HEAAMP
Cn1nccc1C(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@@H+](Cc2ccccc2F)C1	ZINC000014960815	558683860	/nfs/dbraw/zinc/68/38/60/558683860.db2.gz	XDLKBFFFGCMXJB-SFHVURJKSA-N	2	1	401.530	2.475	50	0		HEAAMP
Cc1cc(C)cc(C(=O)N(CCC(=O)N2CC[NH2+]CC2)CC[N@@H+]2CCCC[C@H]2C)c1	ZINC000035422033	558791780	/nfs/dbraw/zinc/79/17/80/558791780.db2.gz	IWBLPBOGBOWJBF-OAQYLSRUSA-N	2	1	414.594	2.442	50	0		HEAAMP
Cc1cccc(C(=O)N(CCC(=O)N2CC[NH2+]CC2)CC[N@@H+]2CCCC[C@H]2C)c1	ZINC000035422027	558791791	/nfs/dbraw/zinc/79/17/91/558791791.db2.gz	WTYUNURDYCSXOJ-HXUWFJFHSA-N	2	1	400.567	2.134	50	0		HEAAMP
COc1ccc(C[NH2+]C2CCCCCC2)c(OC[C@@H](O)C[NH+]2CCN(C)CC2)c1	ZINC000020779282	558412416	/nfs/dbraw/zinc/41/24/16/558412416.db2.gz	ARJSSUZQZQNEJF-NRFANRHFSA-N	2	1	405.583	2.495	50	0		HEAAMP
COc1cc(C[N@@H+](C)CCn2nc(C)cc2C)ccc1OC[C@H](O)C[NH+]1CCCC1	ZINC000012476572	558422852	/nfs/dbraw/zinc/42/28/52/558422852.db2.gz	VGFMYPGFYPYQEG-OAQYLSRUSA-N	2	1	416.566	2.476	50	0		HEAAMP
COc1ccc(C[NH2+]CCc2ccccc2)c(OC[C@@H](O)C[NH+]2CCN(C)CC2)c1	ZINC000020993547	558426191	/nfs/dbraw/zinc/42/61/91/558426191.db2.gz	OOUTVJNESRGADL-QFIPXVFZSA-N	2	1	413.562	2.015	50	0		HEAAMP
C[NH+](C[C@@H](O)COc1ccccc1C[N@@H+](C)CCN1CCOCC1)C1CCCCC1	ZINC000019227617	558852821	/nfs/dbraw/zinc/85/28/21/558852821.db2.gz	VKRCSOKSBIJLCS-HSZRJFAPSA-N	2	1	419.610	2.455	50	0		HEAAMP
C[NH+](CCN1CCOCC1)Cc1ccccc1OC[C@H](O)C[N@H+](C)C1CCCCC1	ZINC000019227617	558852823	/nfs/dbraw/zinc/85/28/23/558852823.db2.gz	VKRCSOKSBIJLCS-HSZRJFAPSA-N	2	1	419.610	2.455	50	0		HEAAMP
C[NH+](CCN1CCOCC1)Cc1ccccc1OC[C@H](O)C[N@@H+](C)C1CCCCC1	ZINC000019227617	558852825	/nfs/dbraw/zinc/85/28/25/558852825.db2.gz	VKRCSOKSBIJLCS-HSZRJFAPSA-N	2	1	419.610	2.455	50	0		HEAAMP
CC(C)C[N@@H+](C)CCCN1CC2(CCN(C(=O)[C@@H]3CCC[NH+](C)C3)CC2)OC1=O	ZINC000072470254	558983587	/nfs/dbraw/zinc/98/35/87/558983587.db2.gz	LAGMTOLABNLYQV-LJQANCHMSA-N	2	1	408.587	2.120	50	0		HEAAMP
CC(C)C[NH+](C)CCCN1CC2(CCN(C(=O)[C@@H]3CCC[N@H+](C)C3)CC2)OC1=O	ZINC000072470254	558983588	/nfs/dbraw/zinc/98/35/88/558983588.db2.gz	LAGMTOLABNLYQV-LJQANCHMSA-N	2	1	408.587	2.120	50	0		HEAAMP
CC(C)C[NH+](C)CCCN1CC2(CCN(C(=O)[C@@H]3CCC[N@@H+](C)C3)CC2)OC1=O	ZINC000072470254	558983589	/nfs/dbraw/zinc/98/35/89/558983589.db2.gz	LAGMTOLABNLYQV-LJQANCHMSA-N	2	1	408.587	2.120	50	0		HEAAMP
O=C([C@H]1CCC[N@H+](C2CC[NH+](C3Cc4ccccc4C3)CC2)C1)N1CCC(O)CC1	ZINC000091736515	559073345	/nfs/dbraw/zinc/07/33/45/559073345.db2.gz	IVZCRAFITVSBOW-NRFANRHFSA-N	2	1	411.590	2.314	50	0		HEAAMP
CNC(=O)C(C)(C)NC(=O)[C@@H]1CCC[N@H+](C2CCN(CCc3ccccc3)CC2)C1	ZINC000091974077	559074844	/nfs/dbraw/zinc/07/48/44/559074844.db2.gz	NVFNHFCLSNOZRD-HXUWFJFHSA-N	2	1	414.594	2.046	50	0		HEAAMP
CNC(=O)C(C)(C)NC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](CCc3ccccc3)CC2)C1	ZINC000091974077	559074845	/nfs/dbraw/zinc/07/48/45/559074845.db2.gz	NVFNHFCLSNOZRD-HXUWFJFHSA-N	2	1	414.594	2.046	50	0		HEAAMP
CNC(=O)C(C)(C)NC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](CCc3ccccc3)CC2)C1	ZINC000091974077	559074847	/nfs/dbraw/zinc/07/48/47/559074847.db2.gz	NVFNHFCLSNOZRD-HXUWFJFHSA-N	2	1	414.594	2.046	50	0		HEAAMP
CN(Cc1cnccn1)C(=O)[C@@H]1CCC[N@H+](C2CCN(Cc3cccnc3)CC2)C1	ZINC000092062095	559075293	/nfs/dbraw/zinc/07/52/93/559075293.db2.gz	MKRAQPMZZCNZEI-HXUWFJFHSA-N	2	1	408.550	2.207	50	0		HEAAMP
COC[C@@]12CC[C@@H]([NH+]3CCOCC3)C[C@H]1CC[N@@H+](CC(=O)Nc1ccccc1)C2	ZINC000095360078	559079891	/nfs/dbraw/zinc/07/98/91/559079891.db2.gz	IWQOINXOROKDSZ-LSWJPFSZSA-N	2	1	401.551	2.465	50	0		HEAAMP
COc1cc(CN2CC[NH+](C)CC2)ccc1OC[C@@H](O)C[N@@H+](C)C1CCCCC1	ZINC000020542961	522381310	/nfs/dbraw/zinc/38/13/10/522381310.db2.gz	KBDZUCCZIBBLJN-NRFANRHFSA-N	2	1	405.583	2.447	50	0		HEAAMP
COc1ccc(C[NH2+]CC2CCCCC2)c(OC[C@H](O)C[NH+]2CCN(C)CC2)c1	ZINC000020992387	558426139	/nfs/dbraw/zinc/42/61/39/558426139.db2.gz	ZJWLLXGXFFFYBL-OAQYLSRUSA-N	2	1	405.583	2.352	50	0		HEAAMP
Cn1ccnc1CNC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](CCc3ccccc3)CC2)C1	ZINC000039445849	558821246	/nfs/dbraw/zinc/82/12/46/558821246.db2.gz	YVMRNPXYEFQNSP-OAQYLSRUSA-N	2	1	409.578	2.455	50	0		HEAAMP
Cn1ccnc1CNC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](CCc3ccccc3)CC2)C1	ZINC000039445849	558821249	/nfs/dbraw/zinc/82/12/49/558821249.db2.gz	YVMRNPXYEFQNSP-OAQYLSRUSA-N	2	1	409.578	2.455	50	0		HEAAMP
O=C([C@@H]1CCC[N@H+](C2CC[NH+](C3Cc4ccccc4C3)CC2)C1)N1CCC[NH2+]CC1	ZINC000082097426	559037564	/nfs/dbraw/zinc/03/75/64/559037564.db2.gz	MLQWLNPJUUMGQD-JOCHJYFZSA-N	3	1	410.606	2.152	50	0		HEAAMP
O=C([C@@H]1CCC[N@@H+](C2CCN(C3Cc4ccccc4C3)CC2)C1)N1CCC[NH2+]CC1	ZINC000082097426	559037565	/nfs/dbraw/zinc/03/75/65/559037565.db2.gz	MLQWLNPJUUMGQD-JOCHJYFZSA-N	2	1	410.606	2.152	50	0		HEAAMP
O=C([C@@H]1CCC[N@H+](C2CCN(C3Cc4ccccc4C3)CC2)C1)N1CCC[NH2+]CC1	ZINC000082097426	559037566	/nfs/dbraw/zinc/03/75/66/559037566.db2.gz	MLQWLNPJUUMGQD-JOCHJYFZSA-N	2	1	410.606	2.152	50	0		HEAAMP
COc1ccccc1C[N@H+]1CCC[C@H](CN(CC[NH+](C)C)C(=O)Cn2ccnc2)C1	ZINC000011816568	558280000	/nfs/dbraw/zinc/28/00/00/558280000.db2.gz	FOBVDXBVNCGBGD-FQEVSTJZSA-N	2	1	413.566	2.194	50	0		HEAAMP
O=C(NCCn1cccn1)[C@@H]1CCC[N@@H+](C2CC[NH+](CCc3ccccc3)CC2)C1	ZINC000020166257	558342873	/nfs/dbraw/zinc/34/28/73/558342873.db2.gz	WPDJRANSISRAJR-JOCHJYFZSA-N	2	1	409.578	2.418	50	0		HEAAMP
O=C(NCCn1cccn1)[C@@H]1CCC[N@H+](C2CC[NH+](CCc3ccccc3)CC2)C1	ZINC000020166257	558342875	/nfs/dbraw/zinc/34/28/75/558342875.db2.gz	WPDJRANSISRAJR-JOCHJYFZSA-N	2	1	409.578	2.418	50	0		HEAAMP
C[NH+]1CCC(N2CCC[C@@H]([NH+]3CCN(Cc4ccc5c(c4)OCO5)CC3)C2)CC1	ZINC000020201190	558345717	/nfs/dbraw/zinc/34/57/17/558345717.db2.gz	QLENXLQVAJPGRF-OAQYLSRUSA-N	2	1	400.567	2.092	50	0		HEAAMP
COc1cc(CN2CC[NH+](CC3CC3)CC2)ccc1OC[C@@H](O)C[N@@H+](C)C(C)C	ZINC000020992939	558426130	/nfs/dbraw/zinc/42/61/30/558426130.db2.gz	JYDWTNLIGJZXEK-NRFANRHFSA-N	2	1	405.583	2.303	50	0		HEAAMP
CC[N@@H+](CCO)Cc1ccc(OC)c(OC[C@H](O)C[NH+](C)Cc2ccccc2)c1	ZINC000012112149	558326711	/nfs/dbraw/zinc/32/67/11/558326711.db2.gz	BJTVYJBJPUFSCD-OAQYLSRUSA-N	2	1	402.535	2.381	50	0		HEAAMP
CC[NH+](CCO)Cc1ccc(OC)c(OC[C@H](O)C[N@H+](C)Cc2ccccc2)c1	ZINC000012112149	558326714	/nfs/dbraw/zinc/32/67/14/558326714.db2.gz	BJTVYJBJPUFSCD-OAQYLSRUSA-N	2	1	402.535	2.381	50	0		HEAAMP
CC[NH+](CCO)Cc1ccc(OC)c(OC[C@H](O)C[N@@H+](C)Cc2ccccc2)c1	ZINC000012112149	558326717	/nfs/dbraw/zinc/32/67/17/558326717.db2.gz	BJTVYJBJPUFSCD-OAQYLSRUSA-N	2	1	402.535	2.381	50	0		HEAAMP
O=C(NCCn1cccn1)[C@H]1CCC[N@@H+](C2CC[NH+](CCc3ccccc3)CC2)C1	ZINC000020166264	558342833	/nfs/dbraw/zinc/34/28/33/558342833.db2.gz	WPDJRANSISRAJR-QFIPXVFZSA-N	2	1	409.578	2.418	50	0		HEAAMP
O=C(NCCn1cccn1)[C@H]1CCC[N@H+](C2CC[NH+](CCc3ccccc3)CC2)C1	ZINC000020166264	558342837	/nfs/dbraw/zinc/34/28/37/558342837.db2.gz	WPDJRANSISRAJR-QFIPXVFZSA-N	2	1	409.578	2.418	50	0		HEAAMP
CC[NH+](CC)C[C@H](O)COc1cc(C[N@@H+](CC)CCn2cccn2)ccc1OC	ZINC000012430694	558405223	/nfs/dbraw/zinc/40/52/23/558405223.db2.gz	BMAQCKBOSGIIDR-FQEVSTJZSA-N	2	1	404.555	2.495	50	0		HEAAMP
COc1ccc(C[NH2+]C2CCCCCC2)c(OC[C@H](O)C[NH+]2CCN(C)CC2)c1	ZINC000020779287	558412479	/nfs/dbraw/zinc/41/24/79/558412479.db2.gz	ARJSSUZQZQNEJF-OAQYLSRUSA-N	2	1	405.583	2.495	50	0		HEAAMP
Cc1[nH+]ccn1CCC[NH2+]Cc1c(C(=O)N2C[C@@H](C)O[C@@H](C)C2)nc2sccn12	ZINC000015068133	558710681	/nfs/dbraw/zinc/71/06/81/558710681.db2.gz	YTKNQXWRNLWUDZ-GASCZTMLSA-N	2	1	416.551	2.330	50	0		HEAAMP
O=C(NC[C@@H]([C@@H]1CCOC1)[NH+]1CCOCC1)Nc1cccc(C[NH+]2CCCC2)c1	ZINC000058297347	558917308	/nfs/dbraw/zinc/91/73/08/558917308.db2.gz	XWUFCHHOBGXQAD-CTNGQTDRSA-N	2	1	402.539	2.141	50	0		HEAAMP
CC(C)C[N@@H+](C)CCCN1CC2(CCN(C(=O)[C@H]3CCC[NH+](C)C3)CC2)OC1=O	ZINC000072470256	558983563	/nfs/dbraw/zinc/98/35/63/558983563.db2.gz	LAGMTOLABNLYQV-IBGZPJMESA-N	2	1	408.587	2.120	50	0		HEAAMP
CC(C)C[NH+](C)CCCN1CC2(CCN(C(=O)[C@H]3CCC[N@H+](C)C3)CC2)OC1=O	ZINC000072470256	558983564	/nfs/dbraw/zinc/98/35/64/558983564.db2.gz	LAGMTOLABNLYQV-IBGZPJMESA-N	2	1	408.587	2.120	50	0		HEAAMP
CC(C)C[NH+](C)CCCN1CC2(CCN(C(=O)[C@H]3CCC[N@@H+](C)C3)CC2)OC1=O	ZINC000072470256	558983566	/nfs/dbraw/zinc/98/35/66/558983566.db2.gz	LAGMTOLABNLYQV-IBGZPJMESA-N	2	1	408.587	2.120	50	0		HEAAMP
CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)C(=O)N1CCN(c2ncccn2)CC1	ZINC000097164315	558998257	/nfs/dbraw/zinc/99/82/57/558998257.db2.gz	CRRZLVCTTOYNLO-UFYCRDLUSA-N	2	1	402.587	2.004	50	0		HEAAMP
O=C(N[C@@H]1C2CN3CC1(c1ccccc1)C[N@@H+](C2)CC3)c1ccc(C[NH+]2CCCC2)o1	ZINC000670445197	568910823	/nfs/dbraw/zinc/91/08/23/568910823.db2.gz	PPKWORXXGQPLEY-UXVFNKRRSA-N	2	1	420.557	2.173	50	0		HEAAMP
Cc1ccc(C(=O)N(CCC(=O)N2CC[NH2+]CC2)CC[N@@H+]2CCCC[C@H]2C)cc1	ZINC000045966924	526070977	/nfs/dbraw/zinc/07/09/77/526070977.db2.gz	GTWIUQDSEQUWJM-HXUWFJFHSA-N	2	1	400.567	2.134	50	0		HEAAMP
COC(=O)CCC(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@@H+](Cc2ccccc2OC)C1	ZINC000011818081	558281283	/nfs/dbraw/zinc/28/12/83/558281283.db2.gz	LRKJQZLUYDZVGV-IBGZPJMESA-N	2	1	419.566	2.251	50	0		HEAAMP
Cc1[nH+]ccn1CCNC(=O)C1CC[NH+](C2CCN(Cc3cccc(C)n3)CC2)CC1	ZINC000019853704	558296192	/nfs/dbraw/zinc/29/61/92/558296192.db2.gz	MLAJNKCXDBVNJZ-UHFFFAOYSA-N	2	1	424.593	2.388	50	0		HEAAMP
COC(=O)c1ccc(C[N@@H+]2CCN(C3CC[NH+](C(C)C)CC3)[C@@H](CCO)C2)cc1	ZINC000019229333	558853427	/nfs/dbraw/zinc/85/34/27/558853427.db2.gz	OFNLNOXQYUKMIF-QFIPXVFZSA-N	2	1	403.567	2.215	50	0		HEAAMP
COC(=O)c1ccc(C[N@H+]2CCN(C3CC[NH+](C(C)C)CC3)[C@@H](CCO)C2)cc1	ZINC000019229333	558853430	/nfs/dbraw/zinc/85/34/30/558853430.db2.gz	OFNLNOXQYUKMIF-QFIPXVFZSA-N	2	1	403.567	2.215	50	0		HEAAMP
C[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+](C3CCN(C(=O)CCC4(C)CC4)CC3)C2)CC1	ZINC000071755428	558909543	/nfs/dbraw/zinc/90/95/43/558909543.db2.gz	VSTWAWABDFAOFW-IBGZPJMESA-N	2	1	404.599	2.044	50	0		HEAAMP
C[NH+]1CCN(C(=O)[C@H]2CCC[N@H+](C3CCN(C(=O)CCC4(C)CC4)CC3)C2)CC1	ZINC000071755428	558909544	/nfs/dbraw/zinc/90/95/44/558909544.db2.gz	VSTWAWABDFAOFW-IBGZPJMESA-N	2	1	404.599	2.044	50	0		HEAAMP
Nc1cc[nH+]c(N2CCC([N@@H+]3CCC[C@@H](C(=O)NCCc4ccccc4)C3)CC2)n1	ZINC000082138733	559040615	/nfs/dbraw/zinc/04/06/15/559040615.db2.gz	RHOBSWREDQLQER-LJQANCHMSA-N	2	1	408.550	2.099	50	0		HEAAMP
Nc1cc[nH+]c(N2CCC([N@H+]3CCC[C@@H](C(=O)NCCc4ccccc4)C3)CC2)n1	ZINC000082138733	559040617	/nfs/dbraw/zinc/04/06/17/559040617.db2.gz	RHOBSWREDQLQER-LJQANCHMSA-N	2	1	408.550	2.099	50	0		HEAAMP
Cn1ccnc1C(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@@H+](Cc2ccccc2F)C1	ZINC000095510058	559083651	/nfs/dbraw/zinc/08/36/51/559083651.db2.gz	FKZOWITUNAZEEM-GOSISDBHSA-N	2	1	401.530	2.475	50	0		HEAAMP
CC[NH+]1CCN(CCN2CC3(CC[NH+](Cc4cc(F)cc(F)c4)CC3)OC2=O)CC1	ZINC000072462950	558983153	/nfs/dbraw/zinc/98/31/53/558983153.db2.gz	LWRNCJDRUWXWCI-UHFFFAOYSA-N	2	1	422.520	2.389	50	0		HEAAMP
CN(CC[NH+]1CCCC1)C(=O)[C@H]1CCC[N@H+](C2CCN(Cc3cccnc3)CC2)C1	ZINC000082106625	559038303	/nfs/dbraw/zinc/03/83/03/559038303.db2.gz	LQKXBDJMACJRRH-QFIPXVFZSA-N	2	1	413.610	2.312	50	0		HEAAMP
[NH3+]C1CCN(C(=O)[C@@H]2CCC[N@H+](C3CC[NH+](C4Cc5ccccc5C4)CC3)C2)CC1	ZINC000082109339	559038802	/nfs/dbraw/zinc/03/88/02/559038802.db2.gz	HGKJHIYXUNKVED-OAQYLSRUSA-N	3	1	410.606	2.280	50	0		HEAAMP
[NH3+]C1CCN(C(=O)[C@@H]2CCC[N@@H+](C3CCN(C4Cc5ccccc5C4)CC3)C2)CC1	ZINC000082109339	559038803	/nfs/dbraw/zinc/03/88/03/559038803.db2.gz	HGKJHIYXUNKVED-OAQYLSRUSA-N	2	1	410.606	2.280	50	0		HEAAMP
[NH3+]C1CCN(C(=O)[C@@H]2CCC[N@H+](C3CCN(C4Cc5ccccc5C4)CC3)C2)CC1	ZINC000082109339	559038805	/nfs/dbraw/zinc/03/88/05/559038805.db2.gz	HGKJHIYXUNKVED-OAQYLSRUSA-N	2	1	410.606	2.280	50	0		HEAAMP
C[NH+](C)C1CCN(C(=O)[C@H]2CCC[N@H+](C3CCN(Cc4ccncc4)CC3)C2)CC1	ZINC000091462559	559071798	/nfs/dbraw/zinc/07/17/98/559071798.db2.gz	XCTHESPGLBMOMO-NRFANRHFSA-N	2	1	413.610	2.311	50	0		HEAAMP
CC[NH+]1CCC(N2CCC([N@H+]3CCC[C@@H](C(=O)NCc4ccccn4)C3)CC2)CC1	ZINC000091845408	559074084	/nfs/dbraw/zinc/07/40/84/559074084.db2.gz	AFXSFUXCFJENLC-HXUWFJFHSA-N	2	1	413.610	2.359	50	0		HEAAMP
CC(=O)Nc1ccc(C[N@@H+]2CCN(C3CC[NH+](C(C)C)CC3)[C@H](CCO)C2)cc1	ZINC000104639631	569008139	/nfs/dbraw/zinc/00/81/39/569008139.db2.gz	MIKGDPKVVHPGKH-HSZRJFAPSA-N	2	1	402.583	2.386	50	0		HEAAMP
O[C@@H](COc1ccccc1C[NH+]1CCN(c2ncccn2)CC1)C[NH+]1CCCCC1	ZINC000012575299	132364509	/nfs/dbraw/zinc/36/45/09/132364509.db2.gz	CCBFXHAYSPSUJF-OAQYLSRUSA-N	2	1	411.550	2.024	50	0		HEAAMP
COc1cc(C[N@@H+](C)CCc2cnn(C)c2)ccc1OC[C@H](O)C[NH+](C)C(C)C	ZINC000012385498	558394466	/nfs/dbraw/zinc/39/44/66/558394466.db2.gz	DAUHFKWJVUNPML-HXUWFJFHSA-N	2	1	404.555	2.183	50	0		HEAAMP
COc1cc(C[NH+](C)CCc2cnn(C)c2)ccc1OC[C@H](O)C[N@H+](C)C(C)C	ZINC000012385498	558394467	/nfs/dbraw/zinc/39/44/67/558394467.db2.gz	DAUHFKWJVUNPML-HXUWFJFHSA-N	2	1	404.555	2.183	50	0		HEAAMP
COc1cc(C[NH+](C)CCc2cnn(C)c2)ccc1OC[C@H](O)C[N@@H+](C)C(C)C	ZINC000012385498	558394468	/nfs/dbraw/zinc/39/44/68/558394468.db2.gz	DAUHFKWJVUNPML-HXUWFJFHSA-N	2	1	404.555	2.183	50	0		HEAAMP
O=C(NCc1ccccn1)[C@@H]1CCC[N@@H+](C2CCN(c3[nH+]cnc4[nH]ccc43)CC2)C1	ZINC000071764547	558910602	/nfs/dbraw/zinc/91/06/02/558910602.db2.gz	JBMOJLNVVKIUDM-QGZVFWFLSA-N	2	1	419.533	2.350	50	0		HEAAMP
O=C(NCc1ccccn1)[C@@H]1CCC[N@H+](C2CCN(c3[nH+]cnc4[nH]ccc43)CC2)C1	ZINC000071764547	558910604	/nfs/dbraw/zinc/91/06/04/558910604.db2.gz	JBMOJLNVVKIUDM-QGZVFWFLSA-N	2	1	419.533	2.350	50	0		HEAAMP
COCC[N@@H+](C)CCN1CC2(CC[NH+](Cc3ccc4c(c3)C[C@@H](C)O4)CC2)OC1=O	ZINC000072447110	558982654	/nfs/dbraw/zinc/98/26/54/558982654.db2.gz	AVRRVYGRCYEHEH-GOSISDBHSA-N	2	1	417.550	2.375	50	0		HEAAMP
C[N@@H+](CCc1ccccc1)CCN1CC2(CCN(c3cc[nH+]c(N)n3)CC2)OC1=O	ZINC000077456291	559005766	/nfs/dbraw/zinc/00/57/66/559005766.db2.gz	PSCUSMWHODUYAJ-UHFFFAOYSA-N	2	1	410.522	2.025	50	0		HEAAMP
C[N@H+](CCc1ccccc1)CCN1CC2(CCN(c3cc[nH+]c(N)n3)CC2)OC1=O	ZINC000077456291	559005768	/nfs/dbraw/zinc/00/57/68/559005768.db2.gz	PSCUSMWHODUYAJ-UHFFFAOYSA-N	2	1	410.522	2.025	50	0		HEAAMP
Nc1nc(N2CCC([N@@H+]3CCC[C@H](C(=O)NCCc4ccccc4)C3)CC2)cc[nH+]1	ZINC000082107623	559038481	/nfs/dbraw/zinc/03/84/81/559038481.db2.gz	WMZYNHJNSXKPLU-IBGZPJMESA-N	2	1	408.550	2.099	50	0		HEAAMP
Nc1nc(N2CCC([N@H+]3CCC[C@H](C(=O)NCCc4ccccc4)C3)CC2)cc[nH+]1	ZINC000082107623	559038482	/nfs/dbraw/zinc/03/84/82/559038482.db2.gz	WMZYNHJNSXKPLU-IBGZPJMESA-N	2	1	408.550	2.099	50	0		HEAAMP
Cn1ccnc1C(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@@H+](Cc2ccccc2F)C1	ZINC000095510059	559083590	/nfs/dbraw/zinc/08/35/90/559083590.db2.gz	FKZOWITUNAZEEM-SFHVURJKSA-N	2	1	401.530	2.475	50	0		HEAAMP
CCc1cc(NC[C@H]2CN(CC3CC[NH+](CC4CC4)CC3)C(=O)CO2)nc(C)[nH+]1	ZINC000299782016	568875261	/nfs/dbraw/zinc/87/52/61/568875261.db2.gz	XANGGHDIFNJPIG-FQEVSTJZSA-N	2	1	401.555	2.109	50	0		HEAAMP
Cc1ccc(C[N@@H+]2CCc3nnc([C@@H](C)NC(=O)C4CC[NH+](C)CC4)n3CC2)c(C)c1	ZINC000011977197	558305861	/nfs/dbraw/zinc/30/58/61/558305861.db2.gz	RNGREIKVEGOTFA-LJQANCHMSA-N	2	1	424.593	2.472	50	0		HEAAMP
CC[NH+]1CCN(CC(=O)N(C)C[C@@H]2CCC[N@@H+](CCc3ccccc3OC)C2)CC1	ZINC000020324824	558355588	/nfs/dbraw/zinc/35/55/88/558355588.db2.gz	NWVCCOHDIMUCSY-NRFANRHFSA-N	2	1	416.610	2.046	50	0		HEAAMP
CC[NH+](CC)C[C@@H](O)COc1ccc(C[NH2+]CCCn2cc[nH+]c2C)cc1OC	ZINC000012429367	558404218	/nfs/dbraw/zinc/40/42/18/558404218.db2.gz	UTYIMDUWFCVGBT-HXUWFJFHSA-N	3	1	404.555	2.462	50	0		HEAAMP
COc1ccc(CC[N@@H+]2CCC[C@H](CN(C)C(=O)CC[NH+]3CCOCC3)C2)cc1	ZINC000012475733	558422563	/nfs/dbraw/zinc/42/25/63/558422563.db2.gz	CPIZSCGLBYMWTL-OAQYLSRUSA-N	2	1	403.567	2.130	50	0		HEAAMP
COc1ccc(CC[N@H+]2CCC[C@H](CN(C)C(=O)CC[NH+]3CCOCC3)C2)cc1	ZINC000012475733	558422565	/nfs/dbraw/zinc/42/25/65/558422565.db2.gz	CPIZSCGLBYMWTL-OAQYLSRUSA-N	2	1	403.567	2.130	50	0		HEAAMP
COC(=O)CCC(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@@H+](Cc2ccccc2F)C1	ZINC000012711759	558452940	/nfs/dbraw/zinc/45/29/40/558452940.db2.gz	DFSWWIXPHDAAPT-SFHVURJKSA-N	2	1	407.530	2.381	50	0		HEAAMP
COc1ccc(CN2CC[NH+](C)CC2)cc1OC[C@@H](O)C[N@@H+](C)Cc1ccccc1	ZINC000022851921	558516897	/nfs/dbraw/zinc/51/68/97/558516897.db2.gz	XLMYARWGXKYXCR-QFIPXVFZSA-N	2	1	413.562	2.314	50	0		HEAAMP
COC(=O)C1CC[NH+](Cc2ccc(OC)c(OC[C@@H](O)C[N@@H+](C)C(C)C)c2)CC1	ZINC000015063798	558706509	/nfs/dbraw/zinc/70/65/09/558706509.db2.gz	GRWILGNLMDVSNU-IBGZPJMESA-N	2	1	408.539	2.160	50	0		HEAAMP
O=C(NCC[NH+]1CCCCC1)[C@@H]1CCC[N@H+](C2CCN(Cc3cccnc3)CC2)C1	ZINC000082166397	559042071	/nfs/dbraw/zinc/04/20/71/559042071.db2.gz	KSPHGHSUGSJJKQ-JOCHJYFZSA-N	2	1	413.610	2.360	50	0		HEAAMP
C[NH+](C)CCCNC(=O)[C@H]1CCC[N@H+](C2CC[NH+](C3Cc4ccccc4C3)CC2)C1	ZINC000091656144	559072808	/nfs/dbraw/zinc/07/28/08/559072808.db2.gz	ZFRMVPCKSCDCSG-QFIPXVFZSA-N	3	1	412.622	2.398	50	0		HEAAMP
C[NH+](C)CCCNC(=O)[C@H]1CCC[N@@H+](C2CCN(C3Cc4ccccc4C3)CC2)C1	ZINC000091656144	559072810	/nfs/dbraw/zinc/07/28/10/559072810.db2.gz	ZFRMVPCKSCDCSG-QFIPXVFZSA-N	2	1	412.622	2.398	50	0		HEAAMP
C[NH+](C)CCCNC(=O)[C@H]1CCC[N@H+](C2CCN(C3Cc4ccccc4C3)CC2)C1	ZINC000091656144	559072811	/nfs/dbraw/zinc/07/28/11/559072811.db2.gz	ZFRMVPCKSCDCSG-QFIPXVFZSA-N	2	1	412.622	2.398	50	0		HEAAMP
Cc1noc(C)c1C[N@@H+](C)Cc1cccc(OC[C@@H](O)C[NH+]2CCC(O)CC2)c1	ZINC000095501745	559082487	/nfs/dbraw/zinc/08/24/87/559082487.db2.gz	LTBGUUZKZUXHLH-FQEVSTJZSA-N	2	1	403.523	2.120	50	0		HEAAMP
Cc1noc(C)c1C[N@H+](C)Cc1cccc(OC[C@@H](O)C[NH+]2CCC(O)CC2)c1	ZINC000095501745	559082489	/nfs/dbraw/zinc/08/24/89/559082489.db2.gz	LTBGUUZKZUXHLH-FQEVSTJZSA-N	2	1	403.523	2.120	50	0		HEAAMP
COc1ccc(C[NH+]2CCC3(C[C@@H](C(=O)N4CCOCC4)[N@@H+](C)C3)CC2)cc1C	ZINC000581802924	1078772318	/nfs/dbraw/zinc/77/23/18/1078772318.db2.gz	RJHLCWKYBYUTQK-FQEVSTJZSA-N	2	1	401.551	2.149	50	0		HEAAMP
Cc1ccc(C(=O)N(CCC(=O)N2CC[NH2+]CC2)CC[N@@H+]2CCCC[C@@H]2C)cc1	ZINC000045966922	526071407	/nfs/dbraw/zinc/07/14/07/526071407.db2.gz	GTWIUQDSEQUWJM-FQEVSTJZSA-N	2	1	400.567	2.134	50	0		HEAAMP
Cc1nnc(SCC[NH2+]Cc2ccccc2OC[C@H](O)C[NH+]2CCCCC2)[nH]1	ZINC000012093199	558324791	/nfs/dbraw/zinc/32/47/91/558324791.db2.gz	RDUNDLJCSKYEDO-GOSISDBHSA-N	2	1	405.568	2.221	50	0		HEAAMP
CCN1CC[NH+](C[C@@H](O)COc2cccc(C[NH2+]CCCc3cccnc3)c2)CC1	ZINC000020109807	558335076	/nfs/dbraw/zinc/33/50/76/558335076.db2.gz	GUWWUCOUTFVGON-HSZRJFAPSA-N	2	1	412.578	2.181	50	0		HEAAMP
COc1ccccc1C[N@H+]1CCC[C@H](CN(CC[NH+](C)C)C(=O)c2cnsn2)C1	ZINC000012470960	558421907	/nfs/dbraw/zinc/42/19/07/558421907.db2.gz	NLOZOGUOBVIZLC-KRWDZBQOSA-N	2	1	417.579	2.463	50	0		HEAAMP
CC(C)CCN1C(=O)N(CC[NH+](C)C)C(=O)C12CC[NH+](Cc1nccs1)CC2	ZINC000014538598	558658971	/nfs/dbraw/zinc/65/89/71/558658971.db2.gz	AHARXWLOGOSDQQ-UHFFFAOYSA-N	2	1	407.584	2.350	50	0		HEAAMP
C[NH+](C)CCN(C[C@H]1CCC[N@@H+](Cc2ccccc2F)C1)C(=O)c1ccc[n+]([O-])c1	ZINC000014979068	558690506	/nfs/dbraw/zinc/69/05/06/558690506.db2.gz	ZKBSXAUIHZVENA-IBGZPJMESA-N	2	1	414.525	2.375	50	0		HEAAMP
O=C(NC[C@H]([C@H]1CCOC1)[NH+]1CCOCC1)Nc1cccc(C[NH+]2CCCC2)c1	ZINC000058297357	558917391	/nfs/dbraw/zinc/91/73/91/558917391.db2.gz	XWUFCHHOBGXQAD-PZJWPPBQSA-N	2	1	402.539	2.141	50	0		HEAAMP
O=C(NCC[NH+]1CCCCC1)[C@H]1CCC[N@H+](C2CCN(Cc3ccncc3)CC2)C1	ZINC000082147310	559040874	/nfs/dbraw/zinc/04/08/74/559040874.db2.gz	QPXBENVFVVLVDR-QFIPXVFZSA-N	2	1	413.610	2.360	50	0		HEAAMP
COc1ccccc1C[N@H+]1CCC[C@H](CN(CC[NH+](C)C)C(=O)Cn2cccn2)C1	ZINC000012053441	558314871	/nfs/dbraw/zinc/31/48/71/558314871.db2.gz	HGVWYCNPBDSAMC-FQEVSTJZSA-N	2	1	413.566	2.194	50	0		HEAAMP
O=CN1CCC[N@H+](Cc2cccc(OC[C@H](O)C[NH+]3CCc4ccccc4C3)c2)CC1	ZINC000012298975	558368990	/nfs/dbraw/zinc/36/89/90/558368990.db2.gz	LHOMYMMZGHNFPQ-XMMPIXPASA-N	2	1	423.557	2.149	50	0		HEAAMP
O=CN1CCC[NH+](Cc2cccc(OC[C@H](O)C[N@@H+]3CCc4ccccc4C3)c2)CC1	ZINC000012298975	558368994	/nfs/dbraw/zinc/36/89/94/558368994.db2.gz	LHOMYMMZGHNFPQ-XMMPIXPASA-N	2	1	423.557	2.149	50	0		HEAAMP
O=CN1CCC[NH+](Cc2cccc(OC[C@H](O)C[N@H+]3CCc4ccccc4C3)c2)CC1	ZINC000012298975	558368997	/nfs/dbraw/zinc/36/89/97/558368997.db2.gz	LHOMYMMZGHNFPQ-XMMPIXPASA-N	2	1	423.557	2.149	50	0		HEAAMP
COc1cc(C[N@@H+](C)CCc2cnn(C)c2)ccc1OC[C@@H](O)C[NH+](C)C(C)C	ZINC000012385497	558394536	/nfs/dbraw/zinc/39/45/36/558394536.db2.gz	DAUHFKWJVUNPML-FQEVSTJZSA-N	2	1	404.555	2.183	50	0		HEAAMP
COc1cc(C[NH+](C)CCc2cnn(C)c2)ccc1OC[C@@H](O)C[N@H+](C)C(C)C	ZINC000012385497	558394538	/nfs/dbraw/zinc/39/45/38/558394538.db2.gz	DAUHFKWJVUNPML-FQEVSTJZSA-N	2	1	404.555	2.183	50	0		HEAAMP
COc1cc(C[NH+](C)CCc2cnn(C)c2)ccc1OC[C@@H](O)C[N@@H+](C)C(C)C	ZINC000012385497	558394540	/nfs/dbraw/zinc/39/45/40/558394540.db2.gz	DAUHFKWJVUNPML-FQEVSTJZSA-N	2	1	404.555	2.183	50	0		HEAAMP
C[NH+](C)CCN(C[C@H]1CCC[N@@H+](Cc2ccccc2F)C1)C(=O)CCn1cncn1	ZINC000012386181	558395095	/nfs/dbraw/zinc/39/50/95/558395095.db2.gz	MFMHXTSDZJREHB-IBGZPJMESA-N	2	1	416.545	2.110	50	0		HEAAMP
C[N@@H+](CCC1CCOCC1)Cc1cccc(OC[C@H](O)C[NH+]2CCC(O)CC2)c1	ZINC000012719022	558456450	/nfs/dbraw/zinc/45/64/50/558456450.db2.gz	QMGZABSUQUTKSA-JOCHJYFZSA-N	2	1	406.567	2.132	50	0		HEAAMP
CN(CC1CC[NH+](CCc2cccc(F)c2)CC1)C(=O)CCN1CC[NH+](C)CC1	ZINC000022926217	558523219	/nfs/dbraw/zinc/52/32/19/558523219.db2.gz	UDDKNDYZLCUVRS-UHFFFAOYSA-N	2	1	404.574	2.176	50	0		HEAAMP
O=C(NC[C@@H]([C@H]1CCOC1)[NH+]1CCOCC1)Nc1cccc(C[NH+]2CCCC2)c1	ZINC000058297354	558917319	/nfs/dbraw/zinc/91/73/19/558917319.db2.gz	XWUFCHHOBGXQAD-FPOVZHCZSA-N	2	1	402.539	2.141	50	0		HEAAMP
CCOC(=O)N1CCC([NH+]2CCC([NH+]3CCC(C(=O)NC4CC4)CC3)CC2)CC1	ZINC000023340045	559173016	/nfs/dbraw/zinc/17/30/16/559173016.db2.gz	YEWQJSZMANTUGH-UHFFFAOYSA-N	2	1	406.571	2.062	50	0		HEAAMP
O=C(N[C@H]1C2CN3CC1(c1ccccc1)C[N@@H+](C2)CC3)C1([NH+]2CCCC2)CCCCC1	ZINC000670469785	568982976	/nfs/dbraw/zinc/98/29/76/568982976.db2.gz	AEDXXMJWKLPWTG-LUQTXGNESA-N	2	1	422.617	2.469	50	0		HEAAMP
C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1	ZINC000170598136	569242396	/nfs/dbraw/zinc/24/23/96/569242396.db2.gz	ZAOXGROPQOBMIB-IBGZPJMESA-N	2	1	419.639	2.425	50	0		HEAAMP
C[NH+](C)CCN(C[C@@H]1CCC[N@@H+](Cc2ccccc2F)C1)C(=O)CN1CCCC1=O	ZINC000012443619	558412954	/nfs/dbraw/zinc/41/29/54/558412954.db2.gz	NEBKPZKXAJCDBP-LJQANCHMSA-N	2	1	418.557	2.050	50	0		HEAAMP
C[NH+](C)CC(C)(C)NC(=O)[C@H]1CCC[N@H+](C2CCN(Cc3cccnc3)CC2)C1	ZINC000082126388	559039845	/nfs/dbraw/zinc/03/98/45/559039845.db2.gz	WRJHLUUDRXIGQG-FQEVSTJZSA-N	2	1	401.599	2.214	50	0		HEAAMP
COC(=O)C1CC[NH+](C[C@H](O)COc2ccc(C[N@@H+]3CC=C(C)CC3)cc2)CC1	ZINC000095528073	559086299	/nfs/dbraw/zinc/08/62/99/559086299.db2.gz	JBHDRUBMVSLYEJ-NRFANRHFSA-N	2	1	402.535	2.463	50	0		HEAAMP
CC[NH+]1CCC2(CC1)OC(=O)C(C)=C2C(=O)NCCC[N@H+]1CCc2ccccc2C1	ZINC000020531761	568627601	/nfs/dbraw/zinc/62/76/01/568627601.db2.gz	LNZQVFGIKRXLDZ-UHFFFAOYSA-N	2	1	411.546	2.279	50	0	biogenic	HEAAMP
CC(C)[NH+]1CCC(N2CC[N@H+](Cc3ccc4c(c3)OCCO4)C[C@H]2CCO)CC1	ZINC000104439268	569008721	/nfs/dbraw/zinc/00/87/21/569008721.db2.gz	GGUAOPDRIOQYGL-OAQYLSRUSA-N	2	1	403.567	2.199	50	0		HEAAMP
CC(C)[NH+]1CCC(N2CC[N@@H+](Cc3ccc4c(c3)OCCO4)C[C@H]2CCO)CC1	ZINC000104439268	569008722	/nfs/dbraw/zinc/00/87/22/569008722.db2.gz	GGUAOPDRIOQYGL-OAQYLSRUSA-N	2	1	403.567	2.199	50	0		HEAAMP
Cc1ccc(C)c(C[N@@H+]2CCc3nnc([C@@H](C)NC(=O)C4CC[NH+](C)CC4)n3CC2)c1	ZINC000011972030	558305129	/nfs/dbraw/zinc/30/51/29/558305129.db2.gz	RZRSWHGYAAEMJB-LJQANCHMSA-N	2	1	424.593	2.472	50	0		HEAAMP
COc1ccccc1C[N@H+]1CCC[C@@H](CN(CC[NH+](C)C)C(=O)c2cnsn2)C1	ZINC000012470952	558421986	/nfs/dbraw/zinc/42/19/86/558421986.db2.gz	NLOZOGUOBVIZLC-QGZVFWFLSA-N	2	1	417.579	2.463	50	0		HEAAMP
COc1cc(CN2CC[NH+](CC3CC3)CC2)ccc1OC[C@H](O)C[N@@H+](C)C(C)C	ZINC000020992943	558426082	/nfs/dbraw/zinc/42/60/82/558426082.db2.gz	JYDWTNLIGJZXEK-OAQYLSRUSA-N	2	1	405.583	2.303	50	0		HEAAMP
NC(=O)C[NH+]1CCC(C(=O)N2CC[C@]3(C2)CCC[N@H+](CC2CCCCC2)C3)CC1	ZINC000012764166	558461596	/nfs/dbraw/zinc/46/15/96/558461596.db2.gz	ZHMPHNVIBABZDD-HSZRJFAPSA-N	2	1	404.599	2.079	50	0		HEAAMP
NC(=O)C[NH+]1CCC(C(=O)N2CC[C@]3(C2)CCC[N@@H+](CC2CCCCC2)C3)CC1	ZINC000012764166	558461597	/nfs/dbraw/zinc/46/15/97/558461597.db2.gz	ZHMPHNVIBABZDD-HSZRJFAPSA-N	2	1	404.599	2.079	50	0		HEAAMP
Cn1nccc1C(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@@H+](Cc2ccccc2F)C1	ZINC000014960811	558683799	/nfs/dbraw/zinc/68/37/99/558683799.db2.gz	XDLKBFFFGCMXJB-GOSISDBHSA-N	2	1	401.530	2.475	50	0		HEAAMP
C[NH+](C)CCN(C[C@@H]1CCC[N@@H+](Cc2ccccc2F)C1)C(=O)c1ccc[n+]([O-])c1	ZINC000014979065	558690455	/nfs/dbraw/zinc/69/04/55/558690455.db2.gz	ZKBSXAUIHZVENA-LJQANCHMSA-N	2	1	414.525	2.375	50	0		HEAAMP
C[C@@H]1CCCC[N@H+]1CCN(CC(=O)N1CC[NH2+]CC1)C(=O)c1ccc(Cl)cc1	ZINC000033032733	558857068	/nfs/dbraw/zinc/85/70/68/558857068.db2.gz	AXPBGYJHESRKPZ-QGZVFWFLSA-N	2	1	406.958	2.088	50	0		HEAAMP
CCNc1cc[nH+]c(N2CCC([N@@H+]3CCC[C@H](C(=O)NCc4cccnc4)C3)CC2)n1	ZINC000071575335	558905499	/nfs/dbraw/zinc/90/54/99/558905499.db2.gz	KZVWFPAABSSUBY-IBGZPJMESA-N	2	1	423.565	2.301	50	0		HEAAMP
CCNc1cc[nH+]c(N2CCC([N@H+]3CCC[C@H](C(=O)NCc4cccnc4)C3)CC2)n1	ZINC000071575335	558905503	/nfs/dbraw/zinc/90/55/03/558905503.db2.gz	KZVWFPAABSSUBY-IBGZPJMESA-N	2	1	423.565	2.301	50	0		HEAAMP
[NH3+]C1CCN(C(=O)[C@H]2CCC[N@H+](C3CC[NH+](C4Cc5ccccc5C4)CC3)C2)CC1	ZINC000082109338	559038790	/nfs/dbraw/zinc/03/87/90/559038790.db2.gz	HGKJHIYXUNKVED-NRFANRHFSA-N	3	1	410.606	2.280	50	0		HEAAMP
[NH3+]C1CCN(C(=O)[C@H]2CCC[N@@H+](C3CCN(C4Cc5ccccc5C4)CC3)C2)CC1	ZINC000082109338	559038792	/nfs/dbraw/zinc/03/87/92/559038792.db2.gz	HGKJHIYXUNKVED-NRFANRHFSA-N	2	1	410.606	2.280	50	0		HEAAMP
[NH3+]C1CCN(C(=O)[C@H]2CCC[N@H+](C3CCN(C4Cc5ccccc5C4)CC3)C2)CC1	ZINC000082109338	559038795	/nfs/dbraw/zinc/03/87/95/559038795.db2.gz	HGKJHIYXUNKVED-NRFANRHFSA-N	2	1	410.606	2.280	50	0		HEAAMP
Cc1ccc(C[N@@H+]2CCc3nnc([C@H](C)NC(=O)C4CC[NH+](C)CC4)n3CC2)c(C)c1	ZINC000011977203	558305868	/nfs/dbraw/zinc/30/58/68/558305868.db2.gz	RNGREIKVEGOTFA-IBGZPJMESA-N	2	1	424.593	2.472	50	0		HEAAMP
COC[C@@H]1CCC[N@H+](Cc2c(C(=O)N3CCC[NH+](C)CC3)nc3sccn23)C1	ZINC000019939733	558313719	/nfs/dbraw/zinc/31/37/19/558313719.db2.gz	PQNCMUFFKNJQRC-MRXNPFEDSA-N	2	1	405.568	2.032	50	0		HEAAMP
COC[C@@H]1CCC[N@@H+](Cc2c(C(=O)N3CCC[NH+](C)CC3)nc3sccn23)C1	ZINC000019939733	558313721	/nfs/dbraw/zinc/31/37/21/558313721.db2.gz	PQNCMUFFKNJQRC-MRXNPFEDSA-N	2	1	405.568	2.032	50	0		HEAAMP
COC[C@@H]1CCC[NH+](Cc2c(C(=O)N3CCC[N@H+](C)CC3)nc3sccn23)C1	ZINC000019939733	558313723	/nfs/dbraw/zinc/31/37/23/558313723.db2.gz	PQNCMUFFKNJQRC-MRXNPFEDSA-N	2	1	405.568	2.032	50	0		HEAAMP
COC[C@@H]1CCC[NH+](Cc2c(C(=O)N3CCC[N@@H+](C)CC3)nc3sccn23)C1	ZINC000019939733	558313724	/nfs/dbraw/zinc/31/37/24/558313724.db2.gz	PQNCMUFFKNJQRC-MRXNPFEDSA-N	2	1	405.568	2.032	50	0		HEAAMP
C[NH+]1CCC(N2CCC[C@H]([NH+]3CCN(Cc4ccc5c(c4)OCO5)CC3)C2)CC1	ZINC000020201193	558345728	/nfs/dbraw/zinc/34/57/28/558345728.db2.gz	QLENXLQVAJPGRF-NRFANRHFSA-N	2	1	400.567	2.092	50	0		HEAAMP
CC[NH+](CC)CCO[C@@H]1CC[N@H+](CC(=O)N(C)CC(=O)Nc2ccccc2Cl)C1	ZINC000072309459	558773455	/nfs/dbraw/zinc/77/34/55/558773455.db2.gz	LBEBQRWIKRFPFQ-QGZVFWFLSA-N	2	1	424.973	2.170	50	0		HEAAMP
CC[NH+](CC)CCO[C@@H]1CC[N@@H+](CC(=O)N(C)CC(=O)Nc2ccccc2Cl)C1	ZINC000072309459	558773457	/nfs/dbraw/zinc/77/34/57/558773457.db2.gz	LBEBQRWIKRFPFQ-QGZVFWFLSA-N	2	1	424.973	2.170	50	0		HEAAMP
COc1ccc(CC[N@H+]2CCC[C@@H](CN(C)C(=O)CC[NH+]3CCN(C)CC3)C2)cc1	ZINC000019336707	558870124	/nfs/dbraw/zinc/87/01/24/558870124.db2.gz	IZNQIONPWQYPIK-QFIPXVFZSA-N	2	1	416.610	2.046	50	0		HEAAMP
COc1ccc(CC[N@@H+]2CCC[C@@H](CN(C)C(=O)CCN3CC[NH+](C)CC3)C2)cc1	ZINC000019336707	558870127	/nfs/dbraw/zinc/87/01/27/558870127.db2.gz	IZNQIONPWQYPIK-QFIPXVFZSA-N	2	1	416.610	2.046	50	0		HEAAMP
COc1ccc(CC[N@H+]2CCC[C@@H](CN(C)C(=O)CCN3CC[NH+](C)CC3)C2)cc1	ZINC000019336707	558870129	/nfs/dbraw/zinc/87/01/29/558870129.db2.gz	IZNQIONPWQYPIK-QFIPXVFZSA-N	2	1	416.610	2.046	50	0		HEAAMP
COc1ccc(C[NH2+]CCC[NH+]2CCCC2)cc1OC[C@@H](O)C[NH+]1CCCCC1	ZINC000055227851	558876951	/nfs/dbraw/zinc/87/69/51/558876951.db2.gz	MWCOKAQAOPPSDQ-NRFANRHFSA-N	3	1	405.583	2.496	50	0		HEAAMP
Cc1c(C(=O)NCC[N@@H+]2CCCC[C@@H]2C)sc2ncnc(N3CC[NH+](C)CC3)c12	ZINC000033048284	558885174	/nfs/dbraw/zinc/88/51/74/558885174.db2.gz	LIJQWQYFPJDSEN-HNNXBMFYSA-N	2	1	416.595	2.356	50	0		HEAAMP
CCNc1cc[nH+]c(N2CCC([N@@H+]3CCC[C@@H](C(=O)NCc4cccnc4)C3)CC2)n1	ZINC000071575338	558905459	/nfs/dbraw/zinc/90/54/59/558905459.db2.gz	KZVWFPAABSSUBY-LJQANCHMSA-N	2	1	423.565	2.301	50	0		HEAAMP
CCNc1cc[nH+]c(N2CCC([N@H+]3CCC[C@@H](C(=O)NCc4cccnc4)C3)CC2)n1	ZINC000071575338	558905462	/nfs/dbraw/zinc/90/54/62/558905462.db2.gz	KZVWFPAABSSUBY-LJQANCHMSA-N	2	1	423.565	2.301	50	0		HEAAMP
Cc1cc(N2CCC([N@H+]3CCC[C@H](C(=O)NCCc4ccccc4)C3)CC2)nc(N)[nH+]1	ZINC000082125274	559039700	/nfs/dbraw/zinc/03/97/00/559039700.db2.gz	RYYFCBGGPVZSCC-FQEVSTJZSA-N	2	1	422.577	2.407	50	0		HEAAMP
CN(C(=O)[C@H]1CCC[N@H+](C2CCN(Cc3cccnc3)CC2)C1)C1CC[NH+](C)CC1	ZINC000091270516	559070823	/nfs/dbraw/zinc/07/08/23/559070823.db2.gz	KIQZOCWMRIKZFR-NRFANRHFSA-N	2	1	413.610	2.311	50	0		HEAAMP
Cc1noc(C)c1C[N@@H+](C)Cc1cccc(OC[C@H](O)C[NH+]2CCC(O)CC2)c1	ZINC000095501744	559082423	/nfs/dbraw/zinc/08/24/23/559082423.db2.gz	LTBGUUZKZUXHLH-HXUWFJFHSA-N	2	1	403.523	2.120	50	0		HEAAMP
Cc1noc(C)c1C[N@H+](C)Cc1cccc(OC[C@H](O)C[NH+]2CCC(O)CC2)c1	ZINC000095501744	559082424	/nfs/dbraw/zinc/08/24/24/559082424.db2.gz	LTBGUUZKZUXHLH-HXUWFJFHSA-N	2	1	403.523	2.120	50	0		HEAAMP
CC[N@H+]1CCC[C@H]1CN(CCC(=O)N1CC[NH2+]CC1)C(=O)c1ccc(Cl)cc1	ZINC000045966792	521654018	/nfs/dbraw/zinc/65/40/18/521654018.db2.gz	QRAVIBINIPEXNG-IBGZPJMESA-N	2	1	406.958	2.088	50	0		HEAAMP
C[N@@H+](CCC1CCOCC1)Cc1cccc(OC[C@@H](O)C[NH+]2CCC(O)CC2)c1	ZINC000012719021	558456400	/nfs/dbraw/zinc/45/64/00/558456400.db2.gz	QMGZABSUQUTKSA-QFIPXVFZSA-N	2	1	406.567	2.132	50	0		HEAAMP
COc1ccc(CN2CC[NH+](C)CC2)cc1OC[C@H](O)C[N@@H+](C)Cc1ccccc1	ZINC000022851919	558516799	/nfs/dbraw/zinc/51/67/99/558516799.db2.gz	XLMYARWGXKYXCR-JOCHJYFZSA-N	2	1	413.562	2.314	50	0		HEAAMP
CC[NH+](CC)CCO[C@H]1CC[N@H+](CC(=O)N(C)CC(=O)Nc2ccccc2Cl)C1	ZINC000072309460	558773548	/nfs/dbraw/zinc/77/35/48/558773548.db2.gz	LBEBQRWIKRFPFQ-KRWDZBQOSA-N	2	1	424.973	2.170	50	0		HEAAMP
CC[NH+](CC)CCO[C@H]1CC[N@@H+](CC(=O)N(C)CC(=O)Nc2ccccc2Cl)C1	ZINC000072309460	558773550	/nfs/dbraw/zinc/77/35/50/558773550.db2.gz	LBEBQRWIKRFPFQ-KRWDZBQOSA-N	2	1	424.973	2.170	50	0		HEAAMP
CC(C)[NH+]1CCC(N2CC[N@H+](Cc3ccc4c(c3)OCCO4)C[C@@H]2CCO)CC1	ZINC000019336338	558870165	/nfs/dbraw/zinc/87/01/65/558870165.db2.gz	GGUAOPDRIOQYGL-NRFANRHFSA-N	2	1	403.567	2.199	50	0		HEAAMP
CC(C)[NH+]1CCC(N2CC[N@@H+](Cc3ccc4c(c3)OCCO4)C[C@@H]2CCO)CC1	ZINC000019336338	558870168	/nfs/dbraw/zinc/87/01/68/558870168.db2.gz	GGUAOPDRIOQYGL-NRFANRHFSA-N	2	1	403.567	2.199	50	0		HEAAMP
C[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+](C3CCN(C(=O)CCC4(C)CC4)CC3)C2)CC1	ZINC000071755429	558909528	/nfs/dbraw/zinc/90/95/28/558909528.db2.gz	VSTWAWABDFAOFW-LJQANCHMSA-N	2	1	404.599	2.044	50	0		HEAAMP
C[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+](C3CCN(C(=O)CCC4(C)CC4)CC3)C2)CC1	ZINC000071755429	558909529	/nfs/dbraw/zinc/90/95/29/558909529.db2.gz	VSTWAWABDFAOFW-LJQANCHMSA-N	2	1	404.599	2.044	50	0		HEAAMP
CN(CC[NH+](C)C)C(=O)[C@@H]1CCC[N@H+](C2CC[NH+](C3Cc4ccccc4C3)CC2)C1	ZINC000091526669	559072023	/nfs/dbraw/zinc/07/20/23/559072023.db2.gz	NFIAYYKAHQMBSK-JOCHJYFZSA-N	3	1	412.622	2.350	50	0		HEAAMP
CN(CC[NH+](C)C)C(=O)[C@@H]1CCC[N@@H+](C2CCN(C3Cc4ccccc4C3)CC2)C1	ZINC000091526669	559072024	/nfs/dbraw/zinc/07/20/24/559072024.db2.gz	NFIAYYKAHQMBSK-JOCHJYFZSA-N	2	1	412.622	2.350	50	0		HEAAMP
CN(CC[NH+](C)C)C(=O)[C@@H]1CCC[N@H+](C2CCN(C3Cc4ccccc4C3)CC2)C1	ZINC000091526669	559072025	/nfs/dbraw/zinc/07/20/25/559072025.db2.gz	NFIAYYKAHQMBSK-JOCHJYFZSA-N	2	1	412.622	2.350	50	0		HEAAMP
Cn1c(C[NH+]2CCCCC2)cc(=O)c(O)c1CN1CC[NH+](Cc2ccccc2)CC1	ZINC000079482301	569431877	/nfs/dbraw/zinc/43/18/77/569431877.db2.gz	WGXWCKLNDKORRU-UHFFFAOYSA-N	2	1	410.562	2.395	50	0		HEAAMP
COc1ccc(C[N@@H+]2CCN(C3CC[NH+](C(C)C)CC3)[C@@H](CCO)C2)c(OC)c1	ZINC000020599813	524031535	/nfs/dbraw/zinc/03/15/35/524031535.db2.gz	FLDOWZCOUDYYLI-NRFANRHFSA-N	2	1	405.583	2.445	50	0		HEAAMP
COc1ccc(C[N@H+]2CCN(C3CC[NH+](C(C)C)CC3)[C@@H](CCO)C2)c(OC)c1	ZINC000020599813	524031537	/nfs/dbraw/zinc/03/15/37/524031537.db2.gz	FLDOWZCOUDYYLI-NRFANRHFSA-N	2	1	405.583	2.445	50	0		HEAAMP
O=C(C[C@@H]1C(=O)NCC[N@H+]1C1CCCC1)NCC1CC[NH+](Cc2ccccc2)CC1	ZINC000011775717	558274777	/nfs/dbraw/zinc/27/47/77/558274777.db2.gz	DRFBIMYQGFYIGH-JOCHJYFZSA-N	2	1	412.578	2.148	50	0		HEAAMP
CC[NH+]1CCN(CC(=O)N(C)C[C@H]2CCC[N@@H+](CCc3ccccc3OC)C2)CC1	ZINC000020324830	558355544	/nfs/dbraw/zinc/35/55/44/558355544.db2.gz	NWVCCOHDIMUCSY-OAQYLSRUSA-N	2	1	416.610	2.046	50	0		HEAAMP
COc1ccc(C[NH2+]CCCn2ccnc2C)cc1OC[C@@H](O)C[N@@H+](C)C(C)C	ZINC000012302110	558371709	/nfs/dbraw/zinc/37/17/09/558371709.db2.gz	OVFHIJHPDXVYPV-FQEVSTJZSA-N	2	1	404.555	2.460	50	0		HEAAMP
COc1ccc(C[NH2+]CCCn2cc[nH+]c2C)cc1OC[C@@H](O)C[N@H+](C)C(C)C	ZINC000012302110	558371713	/nfs/dbraw/zinc/37/17/13/558371713.db2.gz	OVFHIJHPDXVYPV-FQEVSTJZSA-N	3	1	404.555	2.460	50	0		HEAAMP
COc1ccc(C[NH2+]CCCn2cc[nH+]c2C)cc1OC[C@@H](O)C[N@@H+](C)C(C)C	ZINC000012302110	558371715	/nfs/dbraw/zinc/37/17/15/558371715.db2.gz	OVFHIJHPDXVYPV-FQEVSTJZSA-N	3	1	404.555	2.460	50	0		HEAAMP
COc1cc(C[N@@H+]2CCN(C3CC[NH+](C(C)C)CC3)C[C@H]2CCO)cc(OC)c1	ZINC000039447824	558821509	/nfs/dbraw/zinc/82/15/09/558821509.db2.gz	RKCRVNCHKQIKRW-OAQYLSRUSA-N	2	1	405.583	2.445	50	0		HEAAMP
COc1cc(C[N@H+]2CCN(C3CC[NH+](C(C)C)CC3)C[C@H]2CCO)cc(OC)c1	ZINC000039447824	558821511	/nfs/dbraw/zinc/82/15/11/558821511.db2.gz	RKCRVNCHKQIKRW-OAQYLSRUSA-N	2	1	405.583	2.445	50	0		HEAAMP
O=C(NC[C@H]([C@@H]1CCOC1)[NH+]1CCOCC1)Nc1cccc(C[NH+]2CCCC2)c1	ZINC000058297350	558917360	/nfs/dbraw/zinc/91/73/60/558917360.db2.gz	XWUFCHHOBGXQAD-TZIWHRDSSA-N	2	1	402.539	2.141	50	0		HEAAMP
Cc1cc(N2CCC([N@H+]3CCC[C@@H](C(=O)NCCc4ccccc4)C3)CC2)nc(N)[nH+]1	ZINC000082125277	559039726	/nfs/dbraw/zinc/03/97/26/559039726.db2.gz	RYYFCBGGPVZSCC-HXUWFJFHSA-N	2	1	422.577	2.407	50	0		HEAAMP
O=C(N[C@H]1C2CN3CC1(c1ccccc1)C[N@@H+](C2)CC3)c1ccc(C[NH+]2CCCC2)o1	ZINC000670445198	568910839	/nfs/dbraw/zinc/91/08/39/568910839.db2.gz	PPKWORXXGQPLEY-VMQIMYIWSA-N	2	1	420.557	2.173	50	0		HEAAMP
CC[NH+]1CCN(CC(=O)N(C)C[C@@H]2CCC[N@@H+](CCc3ccccc3C)C2)CC1	ZINC000020915158	558422696	/nfs/dbraw/zinc/42/26/96/558422696.db2.gz	PKRMKEGZEJWFBD-QFIPXVFZSA-N	2	1	400.611	2.345	50	0		HEAAMP
COc1ccc(OC)c(C[N@@H+]2CCN(C3CC[NH+](C(C)C)CC3)[C@@H](CCO)C2)c1	ZINC000022851207	558516880	/nfs/dbraw/zinc/51/68/80/558516880.db2.gz	JAWCTOPJTAVLMX-NRFANRHFSA-N	2	1	405.583	2.445	50	0		HEAAMP
COc1ccc(OC)c(C[N@H+]2CCN(C3CC[NH+](C(C)C)CC3)[C@@H](CCO)C2)c1	ZINC000022851207	558516881	/nfs/dbraw/zinc/51/68/81/558516881.db2.gz	JAWCTOPJTAVLMX-NRFANRHFSA-N	2	1	405.583	2.445	50	0		HEAAMP
CC(C)CNC(=O)[C@@H]1C[C@H](CN2CC[NH+](C)CC2)C[N@@H+](CCc2ccccc2)C1	ZINC000023353747	558551174	/nfs/dbraw/zinc/55/11/74/558551174.db2.gz	VHWWONBNBXJURD-DHIUTWEWSA-N	2	1	400.611	2.187	50	0		HEAAMP
O=C(NC[C@H]1CCCO1)[C@@H]1C[C@H](C[NH+]2CCCC2)C[N@@H+](Cc2ccc(O)cc2)C1	ZINC000014534542	558657648	/nfs/dbraw/zinc/65/76/48/558657648.db2.gz	LFQONOWKCKXBRU-KCZVDYSFSA-N	2	1	401.551	2.221	50	0		HEAAMP
O=C(NC[C@H]1CCCO1)[C@@H]1C[C@H](C[NH+]2CCCC2)C[N@H+](Cc2ccc(O)cc2)C1	ZINC000014534542	558657652	/nfs/dbraw/zinc/65/76/52/558657652.db2.gz	LFQONOWKCKXBRU-KCZVDYSFSA-N	2	1	401.551	2.221	50	0		HEAAMP
CC(C)C[N@@H+]1C[C@H](C(=O)Nc2ccc3c(c2)CCC3)C[C@H](C(=O)NCC[NH+](C)C)C1	ZINC000014746181	558669163	/nfs/dbraw/zinc/66/91/63/558669163.db2.gz	YPENZIMAKKNNON-LEWJYISDSA-N	2	1	414.594	2.386	50	0		HEAAMP
CN(CC[NH+]1CCCC1)C(=O)[C@H]1CCC[N@H+](C2CCN(Cc3ccncc3)CC2)C1	ZINC000091548812	559072106	/nfs/dbraw/zinc/07/21/06/559072106.db2.gz	QNEZIRQMJSRNLK-QFIPXVFZSA-N	2	1	413.610	2.312	50	0		HEAAMP
O=C([C@@H]1CCC[N@H+](C2CC[NH+](C3Cc4ccccc4C3)CC2)C1)N1CCC(O)CC1	ZINC000091736517	559073400	/nfs/dbraw/zinc/07/34/00/559073400.db2.gz	IVZCRAFITVSBOW-OAQYLSRUSA-N	2	1	411.590	2.314	50	0		HEAAMP
COC(=O)C1CC[NH+](C[C@H](O)COc2cccc(C[N@@H+]3CC=C(C)CC3)c2)CC1	ZINC000095511766	559083982	/nfs/dbraw/zinc/08/39/82/559083982.db2.gz	LCIPKSQTXOZUDH-NRFANRHFSA-N	2	1	402.535	2.463	50	0		HEAAMP
O=C(N[C@@H]1C2CN3CC1(c1ccccc1)C[N@@H+](C2)CC3)C1([NH+]2CCCC2)CCCCC1	ZINC000670469786	568982965	/nfs/dbraw/zinc/98/29/65/568982965.db2.gz	AEDXXMJWKLPWTG-XRODLIKFSA-N	2	1	422.617	2.469	50	0		HEAAMP
CCN1CC[NH+](C[C@H](O)COc2cccc(C[NH2+]CCc3cccc(C)n3)c2)CC1	ZINC000020535698	521686839	/nfs/dbraw/zinc/68/68/39/521686839.db2.gz	PMIYFNZSBNJNRH-QHCPKHFHSA-N	2	1	412.578	2.100	50	0		HEAAMP
COc1cc(CN2CC[NH+](C)CC2)ccc1OC[C@H](O)C[N@@H+](C)C1CCCCC1	ZINC000020542966	522380939	/nfs/dbraw/zinc/38/09/39/522380939.db2.gz	KBDZUCCZIBBLJN-OAQYLSRUSA-N	2	1	405.583	2.447	50	0		HEAAMP
COC(=O)CCC(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@@H+](Cc2ccccc2OC)C1	ZINC000011818080	558281187	/nfs/dbraw/zinc/28/11/87/558281187.db2.gz	LRKJQZLUYDZVGV-LJQANCHMSA-N	2	1	419.566	2.251	50	0		HEAAMP
COC[C@H]1CCC[N@H+](Cc2c(C(=O)N3CCC[NH+](C)CC3)nc3sccn23)C1	ZINC000019939735	558313688	/nfs/dbraw/zinc/31/36/88/558313688.db2.gz	PQNCMUFFKNJQRC-INIZCTEOSA-N	2	1	405.568	2.032	50	0		HEAAMP
COC[C@H]1CCC[N@@H+](Cc2c(C(=O)N3CCC[NH+](C)CC3)nc3sccn23)C1	ZINC000019939735	558313690	/nfs/dbraw/zinc/31/36/90/558313690.db2.gz	PQNCMUFFKNJQRC-INIZCTEOSA-N	2	1	405.568	2.032	50	0		HEAAMP
COC[C@H]1CCC[NH+](Cc2c(C(=O)N3CCC[N@H+](C)CC3)nc3sccn23)C1	ZINC000019939735	558313691	/nfs/dbraw/zinc/31/36/91/558313691.db2.gz	PQNCMUFFKNJQRC-INIZCTEOSA-N	2	1	405.568	2.032	50	0		HEAAMP
COC[C@H]1CCC[NH+](Cc2c(C(=O)N3CCC[N@@H+](C)CC3)nc3sccn23)C1	ZINC000019939735	558313692	/nfs/dbraw/zinc/31/36/92/558313692.db2.gz	PQNCMUFFKNJQRC-INIZCTEOSA-N	2	1	405.568	2.032	50	0		HEAAMP
CC[N@H+]1CCC[C@H]1CN(CC1CC[NH+](CCOC)CC1)C(=O)CCN1CCCCO1	ZINC000012075327	558319466	/nfs/dbraw/zinc/31/94/66/558319466.db2.gz	BVLLKQOXWJDCKT-QFIPXVFZSA-N	2	1	424.630	2.075	50	0		HEAAMP
COc1cc(C[N@@H+](C)CC2CCOCC2)ccc1OC[C@@H](O)C[NH+]1CCSCC1	ZINC000012429528	558404424	/nfs/dbraw/zinc/40/44/24/558404424.db2.gz	XFNGIEYDOPIWFA-FQEVSTJZSA-N	2	1	424.607	2.342	50	0		HEAAMP
O=C(NCCc1c[nH]cn1)[C@@H]1C[C@H](C[NH+]2CCCC2)C[N@@H+](CCc2ccccc2)C1	ZINC000014538284	558659027	/nfs/dbraw/zinc/65/90/27/558659027.db2.gz	ZGTXIVPUEKQOOT-FGZHOGPDSA-N	2	1	409.578	2.345	50	0		HEAAMP
O=C(NCCc1cnc[nH]1)[C@@H]1C[C@H](C[NH+]2CCCC2)C[N@H+](CCc2ccccc2)C1	ZINC000014538284	558659029	/nfs/dbraw/zinc/65/90/29/558659029.db2.gz	ZGTXIVPUEKQOOT-FGZHOGPDSA-N	2	1	409.578	2.345	50	0		HEAAMP
O=C(NCCc1cnc[nH]1)[C@@H]1C[C@H](C[NH+]2CCCC2)C[N@@H+](CCc2ccccc2)C1	ZINC000014538284	558659031	/nfs/dbraw/zinc/65/90/31/558659031.db2.gz	ZGTXIVPUEKQOOT-FGZHOGPDSA-N	2	1	409.578	2.345	50	0		HEAAMP
C[NH+](C[C@H](O)COc1ccccc1C[N@@H+](C)CCN1CCOCC1)C1CCCCC1	ZINC000019227614	558852872	/nfs/dbraw/zinc/85/28/72/558852872.db2.gz	VKRCSOKSBIJLCS-QHCPKHFHSA-N	2	1	419.610	2.455	50	0		HEAAMP
C[NH+](CCN1CCOCC1)Cc1ccccc1OC[C@@H](O)C[N@H+](C)C1CCCCC1	ZINC000019227614	558852873	/nfs/dbraw/zinc/85/28/73/558852873.db2.gz	VKRCSOKSBIJLCS-QHCPKHFHSA-N	2	1	419.610	2.455	50	0		HEAAMP
C[NH+](CCN1CCOCC1)Cc1ccccc1OC[C@@H](O)C[N@@H+](C)C1CCCCC1	ZINC000019227614	558852874	/nfs/dbraw/zinc/85/28/74/558852874.db2.gz	VKRCSOKSBIJLCS-QHCPKHFHSA-N	2	1	419.610	2.455	50	0		HEAAMP
C[NH+](C)CC(C)(C)NC(=O)[C@@H]1CCC[N@H+](C2CCN(Cc3cccnc3)CC2)C1	ZINC000082126385	559039902	/nfs/dbraw/zinc/03/99/02/559039902.db2.gz	WRJHLUUDRXIGQG-HXUWFJFHSA-N	2	1	401.599	2.214	50	0		HEAAMP
CNC(=O)CCN(C)C(=O)[C@H]1CCC[N@@H+](C2CC[NH+](CCc3ccccc3)CC2)C1	ZINC000091707877	559073237	/nfs/dbraw/zinc/07/32/37/559073237.db2.gz	LMNIEXAHJAFSRL-NRFANRHFSA-N	2	1	414.594	2.000	50	0		HEAAMP
CNC(=O)CCN(C)C(=O)[C@H]1CCC[N@H+](C2CC[NH+](CCc3ccccc3)CC2)C1	ZINC000091707877	559073239	/nfs/dbraw/zinc/07/32/39/559073239.db2.gz	LMNIEXAHJAFSRL-NRFANRHFSA-N	2	1	414.594	2.000	50	0		HEAAMP
CC[N@H+]1CCC[C@@H]1CN(CCC(=O)N1CC[NH2+]CC1)C(=O)c1ccc(Cl)cc1	ZINC000045966790	521633392	/nfs/dbraw/zinc/63/33/92/521633392.db2.gz	QRAVIBINIPEXNG-LJQANCHMSA-N	2	1	406.958	2.088	50	0		HEAAMP
COc1cc(C[N@@H+](C)CC2CCOCC2)ccc1OC[C@H](O)C[NH+]1CCSCC1	ZINC000012429529	558404465	/nfs/dbraw/zinc/40/44/65/558404465.db2.gz	XFNGIEYDOPIWFA-HXUWFJFHSA-N	2	1	424.607	2.342	50	0		HEAAMP
C[C@H]1CCCC[N@H+]1CCN(CC(=O)N1CC[NH2+]CC1)C(=O)c1ccc(Cl)cc1	ZINC000033032735	558856980	/nfs/dbraw/zinc/85/69/80/558856980.db2.gz	AXPBGYJHESRKPZ-KRWDZBQOSA-N	2	1	406.958	2.088	50	0		HEAAMP
CCOC(=O)c1c2c(sc1NC(=O)CN1CC[NH+](C)CC1)C(C)(C)[NH2+]C(C)(C)C2	ZINC000022037439	558985566	/nfs/dbraw/zinc/98/55/66/558985566.db2.gz	JECVBRUYUSLWPR-UHFFFAOYSA-N	2	1	422.595	2.270	50	0		HEAAMP
C[NH+](C)CCCNC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](C3Cc4ccccc4C3)CC2)C1	ZINC000091656143	559072739	/nfs/dbraw/zinc/07/27/39/559072739.db2.gz	ZFRMVPCKSCDCSG-JOCHJYFZSA-N	3	1	412.622	2.398	50	0		HEAAMP
C[NH+](C)CCCNC(=O)[C@@H]1CCC[N@@H+](C2CCN(C3Cc4ccccc4C3)CC2)C1	ZINC000091656143	559072740	/nfs/dbraw/zinc/07/27/40/559072740.db2.gz	ZFRMVPCKSCDCSG-JOCHJYFZSA-N	2	1	412.622	2.398	50	0		HEAAMP
C[NH+](C)CCCNC(=O)[C@@H]1CCC[N@H+](C2CCN(C3Cc4ccccc4C3)CC2)C1	ZINC000091656143	559072742	/nfs/dbraw/zinc/07/27/42/559072742.db2.gz	ZFRMVPCKSCDCSG-JOCHJYFZSA-N	2	1	412.622	2.398	50	0		HEAAMP
COC(=O)C1CC[NH+](C[C@@H](O)COc2cccc(C[N@@H+]3CC=C(C)CC3)c2)CC1	ZINC000095511765	559083947	/nfs/dbraw/zinc/08/39/47/559083947.db2.gz	LCIPKSQTXOZUDH-OAQYLSRUSA-N	2	1	402.535	2.463	50	0		HEAAMP
O=c1occ(C[NH+]2CCCCCC2)c(O)c1CN1CC[NH+](C2CCOCC2)CC1	ZINC000101373660	560793475	/nfs/dbraw/zinc/79/34/75/560793475.db2.gz	SBYUXGGRFDJVNP-UHFFFAOYSA-N	2	1	405.539	2.018	50	0		HEAAMP
CCN(C[C@@H]1CCC[N@H+](CCc2cccc(F)c2)C1)C(=O)C[NH+]1CCC(O)CC1	ZINC000011996695	558306931	/nfs/dbraw/zinc/30/69/31/558306931.db2.gz	UZBTXGNANGUCPF-HXUWFJFHSA-N	2	1	405.558	2.385	50	0		HEAAMP
CCN(C[C@@H]1CCC[N@@H+](CCc2cccc(F)c2)C1)C(=O)C[NH+]1CCC(O)CC1	ZINC000011996695	558306933	/nfs/dbraw/zinc/30/69/33/558306933.db2.gz	UZBTXGNANGUCPF-HXUWFJFHSA-N	2	1	405.558	2.385	50	0		HEAAMP
O=C(NC[C@@H]1CCCO1)[C@@H]1C[C@H](C[NH+]2CCCC2)C[N@@H+](Cc2ccc(O)cc2)C1	ZINC000014534541	558657624	/nfs/dbraw/zinc/65/76/24/558657624.db2.gz	LFQONOWKCKXBRU-SJBKTWHCSA-N	2	1	401.551	2.221	50	0		HEAAMP
O=C(NC[C@@H]1CCCO1)[C@@H]1C[C@H](C[NH+]2CCCC2)C[N@H+](Cc2ccc(O)cc2)C1	ZINC000014534541	558657627	/nfs/dbraw/zinc/65/76/27/558657627.db2.gz	LFQONOWKCKXBRU-SJBKTWHCSA-N	2	1	401.551	2.221	50	0		HEAAMP
CN(Cc1cnccn1)C(=O)[C@H]1CCC[N@H+](C2CCN(Cc3cccnc3)CC2)C1	ZINC000092062096	559075304	/nfs/dbraw/zinc/07/53/04/559075304.db2.gz	MKRAQPMZZCNZEI-FQEVSTJZSA-N	2	1	408.550	2.207	50	0		HEAAMP
C[NH+](C)CCNC(=O)CCC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1	ZINC000008091165	568973425	/nfs/dbraw/zinc/97/34/25/568973425.db2.gz	RQQIBTZTKFVMAB-UHFFFAOYSA-N	2	1	422.573	2.378	50	0		HEAAMP