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](COc1ccc(OC[C@@H](O)C[NH+]2CCCCCC2)cc1)C[NH+]1CCCCCC1	ZINC000004101530	557513723	/nfs/dbraw/zinc/51/37/23/557513723.db2.gz	AXGXERPVDHXFCP-SZPZYZBQSA-N	2	0	420.594	2.918	50	0		HFAARP
CCC[N@@H+](Cc1cc(OC)ccc1OC[C@@H](O)C[NH+]1CCC(O)CC1)CC1CC1	ZINC000011842102	558287500	/nfs/dbraw/zinc/28/75/00/558287500.db2.gz	ZLJVLUGZSLBOQG-NRFANRHFSA-N	2	0	406.567	2.514	50	0		HFAARP
C[NH+](C)CCn1cnc2sc3c(c2c1=O)CC[C@H]([NH2+]Cc1ccc(F)cc1F)C3	ZINC000012039309	558312645	/nfs/dbraw/zinc/31/26/45/558312645.db2.gz	LPVAPLPMECWPPN-HNNXBMFYSA-N	2	0	418.513	2.945	50	0		HFAARP
CN1CC[NH+](CCC(=O)N2CC[C@@]3(C2)CCC[N@H+](CCC2CCCCC2)C3)CC1	ZINC000020201705	558345916	/nfs/dbraw/zinc/34/59/16/558345916.db2.gz	QJJIOAMLTLQHFU-DEOSSOPVSA-N	2	0	404.643	2.909	50	0		HFAARP
O=C1CC[C@H](CC[NH2+]Cc2cccnc2)N1CC1([NH+]2CCOCC2)CCCCC1	ZINC000012218871	558354840	/nfs/dbraw/zinc/35/48/40/558354840.db2.gz	LUUBGNNRSMHBDG-OAQYLSRUSA-N	2	0	400.567	2.587	50	0		HFAARP
CC[NH+]1CCN(C[C@@H](O)COc2cccc(C[N@H+](C)Cc3ccc(C)o3)c2)CC1	ZINC000020351649	558356551	/nfs/dbraw/zinc/35/65/51/558356551.db2.gz	XUQGBLOZXXSHBD-OAQYLSRUSA-N	2	0	401.551	2.597	50	0		HFAARP
COC(=O)C1CC[NH+](C[C@@H](O)COc2ccc(C[NH2+]C3CCCCC3)cc2)CC1	ZINC000012439067	558410616	/nfs/dbraw/zinc/41/06/16/558410616.db2.gz	JNZKPCNPXSQASE-OAQYLSRUSA-N	2	0	404.551	2.734	50	0		HFAARP
COc1ccc(OC[C@@H](O)C[NH+]2CCC(O)CC2)c(C[N@H+](C)C2CCCCC2)c1	ZINC000012455582	558417063	/nfs/dbraw/zinc/41/70/63/558417063.db2.gz	RTEWLXLGZFCDIX-NRFANRHFSA-N	2	0	406.567	2.656	50	0		HFAARP
COCC[N@H+](C)Cc1ccc(OC)c(OC[C@H](O)C[NH+](C)Cc2ccccc2)c1	ZINC000012703784	558448694	/nfs/dbraw/zinc/44/86/94/558448694.db2.gz	XMHZYXMQUOVASF-OAQYLSRUSA-N	2	0	402.535	2.645	50	0		HFAARP
O[C@@H](COc1cccc(C[NH2+]CCc2ccccc2Cl)c1)C[NH+]1CCC(O)CC1	ZINC000012755827	558460085	/nfs/dbraw/zinc/46/00/85/558460085.db2.gz	SYPRRHHHWFRMET-OAQYLSRUSA-N	2	0	418.965	2.869	50	0		HFAARP
C[N@H+](CCn1cccn1)Cc1cc2ccc(F)cc2n(CC[NH+]2CCCCC2)c1=O	ZINC000014958283	558683138	/nfs/dbraw/zinc/68/31/38/558683138.db2.gz	YVDOSCVOUUCIMS-UHFFFAOYSA-N	2	0	411.525	2.955	50	0		HFAARP
COc1cc(C[NH2+]CCOc2ccccc2)ccc1OC[C@H](O)C[N@H+](C)C(C)C	ZINC000014958889	558683456	/nfs/dbraw/zinc/68/34/56/558683456.db2.gz	UETVXOQMVBJBPI-HXUWFJFHSA-N	2	0	402.535	2.944	50	0		HFAARP
COC[C@@H](C)NC(=O)C1CC[NH+](C2CC[NH+](CCCc3ccccc3)CC2)CC1	ZINC000019301101	558866595	/nfs/dbraw/zinc/86/65/95/558866595.db2.gz	WSGKKUPPECNCDT-HXUWFJFHSA-N	2	0	401.595	2.947	50	0		HFAARP
CC[NH+](CC)CCC(=O)N1CCC[C@@H]([NH+]2CCN(c3ccccc3OC)CC2)C1	ZINC000055198213	558875820	/nfs/dbraw/zinc/87/58/20/558875820.db2.gz	RMIDLTXNYXKOIK-HXUWFJFHSA-N	2	0	402.583	2.540	50	0		HFAARP
CC1CC[NH+](C[C@@H](O)COc2cccc(OC[C@@H](O)C[NH+]3CCC(C)CC3)c2)CC1	ZINC000000787189	568477408	/nfs/dbraw/zinc/47/74/08/568477408.db2.gz	LAASDIIAZJOUPZ-SZPZYZBQSA-N	2	0	420.594	2.630	50	0		HFAARP
NC(=O)[C@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@H]3CCC[NH+]3Cc3ccccc3)cc2)C1	ZINC000095947535	568664994	/nfs/dbraw/zinc/66/49/94/568664994.db2.gz	FSYUFJPGQWHLDD-JTHBVZDNSA-N	2	0	420.557	2.987	50	0		HFAARP
COc1cc(C[NH2+]CCc2cccc(C)n2)ccc1OC[C@@H](O)C[N@H+](C)C(C)C	ZINC000012434790	568722553	/nfs/dbraw/zinc/72/25/53/568722553.db2.gz	OMRUGIUWINJIHO-NRFANRHFSA-N	2	0	401.551	2.811	50	0		HFAARP
COCCN(C[C@@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1)C(=O)C[NH+]1CCCCC1	ZINC000012713862	568915745	/nfs/dbraw/zinc/91/57/45/568915745.db2.gz	QPNRIWUTQRHWLB-OAQYLSRUSA-N	2	0	413.606	2.827	50	0		HFAARP
COc1ccccc1/C=C/CN1CCN(C2CC[NH+](C(C)C)CC2)[C@H](CCO)C1	ZINC000105271489	569009157	/nfs/dbraw/zinc/00/91/57/569009157.db2.gz	ALAKGOKTMPRCPG-AVAOGFIGSA-N	2	0	401.595	2.950	50	0		HFAARP
CCCC[NH+]1CCN(C(=O)c2cccc(N3CC[NH2+][C@@H](c4ccccc4)C3)n2)CC1	ZINC000065256322	569208390	/nfs/dbraw/zinc/20/83/90/569208390.db2.gz	QJEAATIKEQMVMS-JOCHJYFZSA-N	2	0	407.562	2.790	50	0		HFAARP
CCCNc1cc(N2CCC[C@H](CCC(=O)NC[C@H]3CCC[N@@H+]3CC)C2)ncn1	ZINC000245326092	571225058	/nfs/dbraw/zinc/22/50/58/571225058.db2.gz	DBTVTGAUTCUXIL-RTBURBONSA-N	2	0	402.587	2.896	50	0		HFAARP
CCn1nc(C(=O)NC)c2c1CC[C@H]([NH2+]CC1([NH+]3CCCCC3)CCCCC1)C2	ZINC000032551014	523612400	/nfs/dbraw/zinc/61/24/00/523612400.db2.gz	VKUCFFVHCNWXDL-SFHVURJKSA-N	2	0	401.599	2.898	50	0		HFAARP
CC1CC[NH+](C[C@@H](O)COc2ccc(OC[C@@H](O)C[NH+]3CCC(C)CC3)cc2)CC1	ZINC000004714303	557585899	/nfs/dbraw/zinc/58/58/99/557585899.db2.gz	PQWUJLKTIKKLKM-SZPZYZBQSA-N	2	0	420.594	2.630	50	0		HFAARP
C[C@@H]1CCCC[NH+]1C[C@H](O)COc1ccc(OC[C@H](O)C[N@H+]2CCCC[C@@H]2C)cc1	ZINC000004754601	557593028	/nfs/dbraw/zinc/59/30/28/557593028.db2.gz	SUXCVKYOWFEMAD-ZDNVTZCJSA-N	2	0	420.594	2.915	50	0		HFAARP
COCCOC1CC[NH+](Cc2ccccc2OC[C@@H](O)C[NH+]2CCCCC2)CC1	ZINC000011768001	558274089	/nfs/dbraw/zinc/27/40/89/558274089.db2.gz	JNSKKBPUOWXAGU-NRFANRHFSA-N	2	0	406.567	2.540	50	0		HFAARP
COC(=O)C1CC[NH+](C[C@@H](O)COc2cccc(C[NH2+]Cc3ccccc3)c2)CC1	ZINC000011879365	558293971	/nfs/dbraw/zinc/29/39/71/558293971.db2.gz	VNSOZHZYBIMMQN-JOCHJYFZSA-N	2	0	412.530	2.601	50	0		HFAARP
O=c1c(C[NH2+]Cc2cccnc2)cc2cc3c(cc2n1CC[NH+]1CCCCC1)OCO3	ZINC000012149108	558338635	/nfs/dbraw/zinc/33/86/35/558338635.db2.gz	MISKXWNSPOMFBB-UHFFFAOYSA-N	2	0	420.513	2.901	50	0		HFAARP
COc1cc(C[N@H+](C)CCn2nc(C)cc2C)ccc1OC[C@H](O)C[NH+](C)C(C)C	ZINC000012443093	558412896	/nfs/dbraw/zinc/41/28/96/558412896.db2.gz	QHLJBHICJYGPKC-OAQYLSRUSA-N	2	0	418.582	2.720	50	0		HFAARP
Cc1nn(C)cc1C[NH2+]Cc1ccc(OC[C@H](O)C[N@H+](C)Cc2ccccc2)cc1	ZINC000013596782	558547439	/nfs/dbraw/zinc/54/74/39/558547439.db2.gz	YBAVFJACUUJXRI-HSZRJFAPSA-N	2	0	408.546	2.890	50	0		HFAARP
Cc1ccccc1CN1CCC([NH+]2CCC(C(=O)N3CCC[N@@H+](C)CC3)CC2)CC1	ZINC000015065379	558708320	/nfs/dbraw/zinc/70/83/20/558708320.db2.gz	UKYSACDUMJVSMY-UHFFFAOYSA-N	2	0	412.622	2.836	50	0		HFAARP
CC[NH+]1CCN(C[C@@H](O)COc2cccc(C[NH2+]C3(c4ccccc4)CC3)c2)CC1	ZINC000019340308	558871474	/nfs/dbraw/zinc/87/14/74/558871474.db2.gz	WDQCDQZOEDHFHI-HSZRJFAPSA-N	2	0	409.574	2.843	50	0		HFAARP
O=C(NC[C@@H]1CCOC1)C1CC[NH+](C2CC[NH+](CCCc3ccccc3)CC2)CC1	ZINC000082097109	559037545	/nfs/dbraw/zinc/03/75/45/559037545.db2.gz	YYSZIMQGMPJISN-QFIPXVFZSA-N	2	0	413.606	2.948	50	0		HFAARP
COC(C)(C)CNC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](C3Cc4ccccc4C3)CC2)C1	ZINC000091621043	559072399	/nfs/dbraw/zinc/07/23/99/559072399.db2.gz	ZDPINOKCHZMYGH-OAQYLSRUSA-N	2	0	413.606	2.871	50	0		HFAARP
O=C([C@H]1CCC[N@@H+](C2CC[NH+](C3Cc4ccccc4C3)CC2)C1)N1CCCOCC1	ZINC000091663469	559072864	/nfs/dbraw/zinc/07/28/64/559072864.db2.gz	GRROLAWQPDYBIY-QFIPXVFZSA-N	2	0	411.590	2.579	50	0		HFAARP
O=C(NC1CCOCC1)[C@@H]1CCC[N@@H+](C2CC[NH+](C3Cc4ccccc4C3)CC2)C1	ZINC000092001367	559074990	/nfs/dbraw/zinc/07/49/90/559074990.db2.gz	XSVIMFFTUFXJNI-OAQYLSRUSA-N	2	0	411.590	2.625	50	0		HFAARP
O[C@@H](COc1cccc(C[NH2+]CCN2CCCC2)c1)C[N@@H+]1CCc2ccccc2C1	ZINC000020779379	568643751	/nfs/dbraw/zinc/64/37/51/568643751.db2.gz	IGAKWZHHHRCZGA-XMMPIXPASA-N	2	0	409.574	2.670	50	0		HFAARP
COc1cc(C[NH2+]CCc2cccc(C)n2)ccc1OC[C@H](O)C[N@H+](C)C(C)C	ZINC000012434791	568722584	/nfs/dbraw/zinc/72/25/84/568722584.db2.gz	OMRUGIUWINJIHO-OAQYLSRUSA-N	2	0	401.551	2.811	50	0		HFAARP
CCCC[NH+]1CCN(C(=O)c2ccnc(N3CC[NH2+][C@@H](c4ccccc4)C3)c2)CC1	ZINC000065255990	569208069	/nfs/dbraw/zinc/20/80/69/569208069.db2.gz	FBWNOQFPTPWMJB-JOCHJYFZSA-N	2	0	407.562	2.790	50	0		HFAARP
CCCC[NH+]1CCN(C(=O)c2cccc(N3CC[NH2+][C@H](c4ccccc4)C3)n2)CC1	ZINC000065256321	569208418	/nfs/dbraw/zinc/20/84/18/569208418.db2.gz	QJEAATIKEQMVMS-QFIPXVFZSA-N	2	0	407.562	2.790	50	0		HFAARP
C[NH+]1CCN(c2ccc(C(=O)N[C@@H]3CCC[N@@H+](C4Cc5ccccc5C4)C3)cc2)CC1	ZINC000012437547	132359961	/nfs/dbraw/zinc/35/99/61/132359961.db2.gz	GBFZFUHGTVCVGS-HSZRJFAPSA-N	2	0	418.585	2.800	50	0		HFAARP
COc1ccc(C[NH2+]Cc2cnn(C)c2)cc1OC[C@@H](O)C[N@H+](C)Cc1ccccc1	ZINC000011709711	558271170	/nfs/dbraw/zinc/27/11/70/558271170.db2.gz	CYVWIBKRTRKKHH-QFIPXVFZSA-N	2	0	424.545	2.590	50	0		HFAARP
CC[N@@H+]1CCC[C@@H]1CNC(=O)CCC1CC[NH+](Cc2cnc(N(C)C)s2)CC1	ZINC000011949417	558302797	/nfs/dbraw/zinc/30/27/97/558302797.db2.gz	NHFGJZCBKVARLN-GOSISDBHSA-N	2	0	407.628	2.802	50	0		HFAARP
COc1ccccc1C[N@@H+]1CCC[C@@H](CN(CC[NH+](C)C)C(=O)c2cc(C)on2)C1	ZINC000012073731	558318658	/nfs/dbraw/zinc/31/86/58/558318658.db2.gz	UWQIVFMGGIMAMT-LJQANCHMSA-N	2	0	414.550	2.908	50	0		HFAARP
CC[NH+]1CCN(C[C@H](O)COc2cccc(C[N@H+](C)Cc3ccc(C)o3)c2)CC1	ZINC000020351652	558356674	/nfs/dbraw/zinc/35/66/74/558356674.db2.gz	XUQGBLOZXXSHBD-NRFANRHFSA-N	2	0	401.551	2.597	50	0		HFAARP
CC[C@H](O)CNC(=O)C1CC[NH+](C2CC[NH+](CCCc3ccccc3)CC2)CC1	ZINC000020455042	558369017	/nfs/dbraw/zinc/36/90/17/558369017.db2.gz	RQYCPCUKSQOWCE-QHCPKHFHSA-N	2	0	401.595	2.683	50	0		HFAARP
COc1ccc(C[NH2+]CCc2c(C)n[nH]c2C)cc1OC[C@@H](O)C[NH+]1CCCCC1	ZINC000012589579	558435300	/nfs/dbraw/zinc/43/53/00/558435300.db2.gz	RTCVBPAWQDQPCZ-FQEVSTJZSA-N	2	0	416.566	2.593	50	0		HFAARP
COc1ccc(C[NH2+]CC2(C)COC2)cc1OC[C@H](O)C[N@H+](C)Cc1ccccc1	ZINC000014956012	558682445	/nfs/dbraw/zinc/68/24/45/558682445.db2.gz	HYBYEILTVBMBHD-OAQYLSRUSA-N	2	0	414.546	2.693	50	0		HFAARP
C[N@H+](Cc1ccc(OC[C@H](O)CN2CC[NH+](C)CC2)cc1)Cc1cccc(Cl)c1	ZINC000019222756	558852186	/nfs/dbraw/zinc/85/21/86/558852186.db2.gz	LLZFSLKGSYJBTQ-JOCHJYFZSA-N	2	0	417.981	2.959	50	0		HFAARP
O=C(NCCC[NH+]1CCN(c2ccccc2)CC1)C1CCN(c2cc[nH+]cc2)CC1	ZINC000033129028	558882635	/nfs/dbraw/zinc/88/26/35/558882635.db2.gz	OPSNWABRGUGRCA-UHFFFAOYSA-N	2	0	407.562	2.627	50	0		HFAARP
C[N@@H+](CCc1ccccc1)CCN1CC2(CC[NH+]([C@@H]3CCCOC3)CC2)OC1=O	ZINC000072422123	558978621	/nfs/dbraw/zinc/97/86/21/558978621.db2.gz	CFGINOSGGXPPTC-OAQYLSRUSA-N	2	0	401.551	2.627	50	0		HFAARP
CC1(C)CC([NH2+]C[C@@]2(O)CCCN(Cc3cccc(F)c3F)C2=O)CC(C)(C)[NH2+]1	ZINC000067723789	558991791	/nfs/dbraw/zinc/99/17/91/558991791.db2.gz	KBCSVIGIVWJKQT-QFIPXVFZSA-N	2	0	409.521	2.717	50	0		HFAARP
O=C([C@H]1CCC[N@@H+](C2CC[NH+](C3Cc4ccccc4C3)CC2)C1)N1CCSCC1	ZINC000091724619	559073332	/nfs/dbraw/zinc/07/33/32/559073332.db2.gz	MVJFNKDDMRYQQZ-NRFANRHFSA-N	2	0	413.631	2.906	50	0		HFAARP
COCCCN(C)C(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](C3Cc4ccccc4C3)CC2)C1	ZINC000091713656	559073368	/nfs/dbraw/zinc/07/33/68/559073368.db2.gz	TUWPJTKBGLWWLR-JOCHJYFZSA-N	2	0	413.606	2.825	50	0		HFAARP
O=C([C@@H]1CCC[N@@H+](C2CC[NH+](C3Cc4ccccc4C3)CC2)C1)N1CCSCC1	ZINC000091724621	559073381	/nfs/dbraw/zinc/07/33/81/559073381.db2.gz	MVJFNKDDMRYQQZ-OAQYLSRUSA-N	2	0	413.631	2.906	50	0		HFAARP
COc1ccc(OC[C@@H](O)C[NH+](C)C)c(CNCC2([NH+]3CCCCC3)CCCC2)c1	ZINC000032516110	524968745	/nfs/dbraw/zinc/96/87/45/524968745.db2.gz	BATMBJSGKJQTPP-NRFANRHFSA-N	2	0	419.610	2.885	50	0		HFAARP
CCC[NH+]1CCC(N2C[C@H]([NH2+]Cc3ccc(SC)cc3)C[C@H]2C(=O)NC)CC1	ZINC000020210104	558347500	/nfs/dbraw/zinc/34/75/00/558347500.db2.gz	BYPFGDBCXGPSKI-NQIIRXRSSA-N	2	0	404.624	2.561	50	0		HFAARP
O=C(C1CC[NH+](C2CC[NH+](CCCc3ccccc3)CC2)CC1)N1CCC[C@H]1CO	ZINC000020455443	558369269	/nfs/dbraw/zinc/36/92/69/558369269.db2.gz	JCJIXBDUCYPCCW-DEOSSOPVSA-N	2	0	413.606	2.779	50	0		HFAARP
O=C(NC[C@@H]1CCCO1)C1CC[NH+](C2CC[NH+](C3Cc4ccccc4C3)CC2)CC1	ZINC000012701884	558447916	/nfs/dbraw/zinc/44/79/16/558447916.db2.gz	FCQRCMUVXAWSBN-DEOSSOPVSA-N	2	0	411.590	2.625	50	0		HFAARP
O=C(NCc1ccncn1)C1CC[NH+](C2CC[NH+](CCCc3ccccc3)CC2)CC1	ZINC000023340193	558550649	/nfs/dbraw/zinc/55/06/49/558550649.db2.gz	SKKASTFKIYRMHC-UHFFFAOYSA-N	2	0	421.589	2.902	50	0		HFAARP
CC(C)CCN1C(=O)N(CC[NH+](C)C)C(=O)C12CC[NH+](Cc1ccccc1)CC2	ZINC000014753729	558671505	/nfs/dbraw/zinc/67/15/05/558671505.db2.gz	SRLIDJDHKRNBPW-UHFFFAOYSA-N	2	0	400.567	2.893	50	0		HFAARP
COc1cc(C[NH2+]CCOc2ccccc2)ccc1OC[C@@H](O)C[N@H+](C)C(C)C	ZINC000014958885	558683310	/nfs/dbraw/zinc/68/33/10/558683310.db2.gz	UETVXOQMVBJBPI-FQEVSTJZSA-N	2	0	402.535	2.944	50	0		HFAARP
Cc1nnsc1C(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@H+](Cc2ccccc2F)C1	ZINC000014961135	558684149	/nfs/dbraw/zinc/68/41/49/558684149.db2.gz	DTQPCTXZTXHBSB-KRWDZBQOSA-N	2	0	419.570	2.902	50	0		HFAARP
C[NH+](C)CCn1cnc2sc3c(c2c1=O)CC[C@H]([NH2+]Cc1ccc(F)c(F)c1)C3	ZINC000014984225	558692588	/nfs/dbraw/zinc/69/25/88/558692588.db2.gz	YGOUTYSJCFOSJR-AWEZNQCLSA-N	2	0	418.513	2.945	50	0		HFAARP
Cc1ccccc1CN1CCC([NH+]2CCC(C(=O)N3CC[C@@H]([NH+](C)C)C3)CC2)CC1	ZINC000055072830	558871478	/nfs/dbraw/zinc/87/14/78/558871478.db2.gz	YLQKHEALYBWQCA-XMMPIXPASA-N	2	0	412.622	2.834	50	0		HFAARP
C[NH+]1CCC2(CC[N@H+](Cc3ccc(OC[C@@H](O)C[NH+]4CCCCC4)cc3)C2)CC1	ZINC000095500292	559082076	/nfs/dbraw/zinc/08/20/76/559082076.db2.gz	MABUPBVCTYOKBQ-QFIPXVFZSA-N	3	0	401.595	2.830	50	0		HFAARP
COc1cc(C[NH2+]Cc2cnn(C)c2)ccc1OC[C@@H](O)C[NH+]1CCCCCCC1	ZINC000015078849	568749895	/nfs/dbraw/zinc/74/98/95/568749895.db2.gz	SPJHWWZAASFMCF-NRFANRHFSA-N	2	0	416.566	2.724	50	0		HFAARP
COCCOC1CC[NH+](Cc2cccc(OC[C@@H](O)C[NH+]3CCCCCC3)c2)CC1	ZINC000012590829	568868490	/nfs/dbraw/zinc/86/84/90/568868490.db2.gz	ZRVMFWDZGDTJSK-QFIPXVFZSA-N	2	0	420.594	2.930	50	0		HFAARP
O=C1CO[C@H](CNc2cc[nH+]c3ccccc23)CN1CC1CC[NH+](CC2CC2)CC1	ZINC000299784039	568875303	/nfs/dbraw/zinc/87/53/03/568875303.db2.gz	NYXYFUIVSZVCPV-HXUWFJFHSA-N	2	0	408.546	2.996	50	0		HFAARP
C[C@@H]1CCCC[NH+]1C[C@H](O)COc1ccc(OC[C@H](O)C[N@H+]2CCCC[C@H]2C)cc1	ZINC000239412536	569054323	/nfs/dbraw/zinc/05/43/23/569054323.db2.gz	SUXCVKYOWFEMAD-YSFYHYPLSA-N	2	0	420.594	2.915	50	0		HFAARP
C[NH+](C)C[C@@H](O)COc1ccc(C[NH+]2CCN(c3cccc(Cl)c3)CC2)cc1	ZINC000012206532	132356812	/nfs/dbraw/zinc/35/68/12/132356812.db2.gz	FETKCSYQQSCCBL-OAQYLSRUSA-N	2	0	403.954	2.964	50	0		HFAARP
C[NH+](C)C[C@H](O)COc1ccc(C[NH+]2CCN(c3cccc(Cl)c3)CC2)cc1	ZINC000012206538	535955070	/nfs/dbraw/zinc/95/50/70/535955070.db2.gz	FETKCSYQQSCCBL-NRFANRHFSA-N	2	0	403.954	2.964	50	0		HFAARP
CC[N@H+](Cc1ccncc1)Cc1ccccc1OC[C@H](O)C[NH+]1CCSCC1	ZINC000011936840	558300821	/nfs/dbraw/zinc/30/08/21/558300821.db2.gz	MUUAUYBXLYIADO-OAQYLSRUSA-N	2	0	401.576	2.892	50	0		HFAARP
Cc1cc(C(=O)N(CCC[NH+](C)C)CC2CC[NH+](C3Cc4ccccc4C3)CC2)[nH]n1	ZINC000012307371	558375962	/nfs/dbraw/zinc/37/59/62/558375962.db2.gz	GLJYMVQQVZEEQY-UHFFFAOYSA-N	2	0	423.605	2.991	50	0		HFAARP
CC[NH+]1CCN(CC(=O)N2CC[C@@]3(C2)CCC[N@H+](CCC2CCCCC2)C3)CC1	ZINC000020905506	558420665	/nfs/dbraw/zinc/42/06/65/558420665.db2.gz	MXHAZGSWMSFJMZ-DEOSSOPVSA-N	2	0	404.643	2.909	50	0		HFAARP
CCC[NH+]1CCC(N2C[C@H]([NH2+]Cc3ccc4ccccc4c3)C[C@H]2C(=O)NC)CC1	ZINC000023362558	558552553	/nfs/dbraw/zinc/55/25/53/558552553.db2.gz	XVNXLUWCIQHBMW-VWNXMTODSA-N	2	0	408.590	2.993	50	0		HFAARP
COc1ccc(C[NH2+]CC2(C)COC2)cc1OC[C@@H](O)C[N@H+](C)Cc1ccccc1	ZINC000014956006	558682570	/nfs/dbraw/zinc/68/25/70/558682570.db2.gz	HYBYEILTVBMBHD-NRFANRHFSA-N	2	0	414.546	2.693	50	0		HFAARP
CC[N@@H+]1CCC[C@@H]1CN(CC1CC[NH+](CCOC)CC1)C(=O)C(=O)c1ccccc1	ZINC000014959569	558683599	/nfs/dbraw/zinc/68/35/99/558683599.db2.gz	ITJMJRGNTMGKJH-JOCHJYFZSA-N	2	0	415.578	2.541	50	0		HFAARP
COc1ccc(C[N@H+](CCO)Cc2ccccc2)cc1OC[C@@H](O)C[NH+](C)C(C)C	ZINC000019146914	558846887	/nfs/dbraw/zinc/84/68/87/558846887.db2.gz	FOOWJMHHSASREZ-QFIPXVFZSA-N	2	0	416.562	2.770	50	0		HFAARP
[NH3+]C[C@@H]1CCN(C(=O)C2CC[NH+](C3CC[NH+](CCCc4ccccc4)CC3)CC2)C1	ZINC000082127215	559039895	/nfs/dbraw/zinc/03/98/95/559039895.db2.gz	RZPNDYYOBZNRAO-QFIPXVFZSA-N	3	0	412.622	2.603	50	0		HFAARP
Cc1cc(CNC(=O)[C@H]2CCC[N@@H+](C3CC[NH+](C4Cc5ccccc5C4)CC3)C2)on1	ZINC000091690020	559072892	/nfs/dbraw/zinc/07/28/92/559072892.db2.gz	VKXPEKDDCPOGMI-NRFANRHFSA-N	2	0	422.573	2.943	50	0		HFAARP
CC[N@@H+]1CCC[C@H]1CNC(=O)CCC1CC[NH+](Cc2cnc(SC)nc2)CC1	ZINC000011708945	559241452	/nfs/dbraw/zinc/24/14/52/559241452.db2.gz	OOPFEMHRNYWOEP-IBGZPJMESA-N	2	0	405.612	2.791	50	0		HFAARP
CN1CC[N@H+](C)Cc2ccc(NC(=O)C[C@H]3CN(Cc4ccccc4)CCO3)cc21	ZINC000108168957	560898205	/nfs/dbraw/zinc/89/82/05/560898205.db2.gz	CLCVKFZGVHPEOX-QFIPXVFZSA-N	2	0	408.546	2.798	50	0		HFAARP
O=C(NC[C@@H]1CCC[N@@H+](Cc2cnc(-c3ccc(Cl)cc3)nc2)C1)[C@@H]1CCC[NH2+]1	ZINC000097021070	568766453	/nfs/dbraw/zinc/76/64/53/568766453.db2.gz	RPDGSOZTXCSYJL-JXFKEZNVSA-N	2	0	413.953	2.877	50	0		HFAARP
C[NH+](C)CCN(C[C@@H]1CCC[N@H+](Cc2ccccc2F)C1)C(=O)C1CCOCC1	ZINC000011874629	558292301	/nfs/dbraw/zinc/29/23/01/558292301.db2.gz	WXPFLWQTBYSCLW-LJQANCHMSA-N	2	0	405.558	2.855	50	0		HFAARP
CC[NH+]1CCN(CC(=O)N2CC[C@]3(C2)CCC[N@H+](CCC2CCCCC2)C3)CC1	ZINC000020905505	558420639	/nfs/dbraw/zinc/42/06/39/558420639.db2.gz	MXHAZGSWMSFJMZ-XMMPIXPASA-N	2	0	404.643	2.909	50	0		HFAARP
CCN(CCO)C(=O)C1CC[NH+](C2CC[NH+](CCCc3ccccc3)CC2)CC1	ZINC000012702126	558448106	/nfs/dbraw/zinc/44/81/06/558448106.db2.gz	BIUMSNCEMSXADV-UHFFFAOYSA-N	2	0	401.595	2.636	50	0		HFAARP
CC[NH+]1CCN(C[C@@H](O)COc2cccc(C[NH2+]Cc3ccc(C)s3)c2)CC1	ZINC000022851336	558516829	/nfs/dbraw/zinc/51/68/29/558516829.db2.gz	UWPAJAQAMJEPGR-HXUWFJFHSA-N	2	0	403.592	2.724	50	0		HFAARP
O[C@@H](Cn1c2ccccc2c2ccccc21)C[NH+]1CCN(CC[NH+]2CCCC2)CC1	ZINC000022924304	558522809	/nfs/dbraw/zinc/52/28/09/558522809.db2.gz	TVCBOHHHOZCCSR-OAQYLSRUSA-N	2	0	406.574	2.869	50	0		HFAARP
CCN(C[C@@H]1CCC[N@H+](CCc2cccc(F)c2)C1)C(=O)CN1CC[NH+](CC)CC1	ZINC000023374616	558553983	/nfs/dbraw/zinc/55/39/83/558553983.db2.gz	DRVRPSRYLCFQJZ-JOCHJYFZSA-N	2	0	418.601	2.566	50	0		HFAARP
CC[NH+]1CCN(C[C@H](O)COc2cccc(C[NH2+]CCc3ccccc3F)c2)CC1	ZINC000023375314	558554992	/nfs/dbraw/zinc/55/49/92/558554992.db2.gz	KEFYBFXZWINWRX-QFIPXVFZSA-N	2	0	415.553	2.535	50	0		HFAARP
COCCN(C)C(=O)C1CC[NH+](C2CC[NH+](CCCc3ccccc3)CC2)CC1	ZINC000015075831	558716418	/nfs/dbraw/zinc/71/64/18/558716418.db2.gz	VOBYPGMFMJGWHW-UHFFFAOYSA-N	2	0	401.595	2.900	50	0		HFAARP
O=C(NCC1CC[NH2+]CC1)[C@@H]1CCC[N@@H+](C2CCN(CCc3ccccc3)CC2)C1	ZINC000082107186	559038524	/nfs/dbraw/zinc/03/85/24/559038524.db2.gz	HIRLMPOTUSVEON-HSZRJFAPSA-N	2	0	412.622	2.521	50	0		HFAARP
COCC(C)(C)NC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](C3Cc4ccccc4C3)CC2)C1	ZINC000091382196	559071443	/nfs/dbraw/zinc/07/14/43/559071443.db2.gz	DSIDNXFBGJUNJJ-NRFANRHFSA-N	2	0	413.606	2.871	50	0		HFAARP
C[NH+]1CCN(c2ccc(C(=O)N[C@@H]3CCC[N@H+](CCc4ccccc4)C3)cc2)CC1	ZINC000012449442	132360855	/nfs/dbraw/zinc/36/08/55/132360855.db2.gz	ASKRDMROASVETA-HSZRJFAPSA-N	2	0	406.574	2.875	50	0		HFAARP
O=C(c1nc2ccccn2c1C[NH2+]CCCC[NH+]1CCCCCC1)N1CCOCC1	ZINC000011664209	558267919	/nfs/dbraw/zinc/26/79/19/558267919.db2.gz	NWYKEEQPZRQBJN-UHFFFAOYSA-N	2	0	413.566	2.553	50	0		HFAARP
COc1ccc(C[NH2+]CCc2cccc(C)n2)cc1OC[C@H](O)C[NH+]1CCCCC1	ZINC000011821901	558285157	/nfs/dbraw/zinc/28/51/57/558285157.db2.gz	NAMGRNWVJFIZCH-JOCHJYFZSA-N	2	0	413.562	2.957	50	0		HFAARP
COc1ccc(C[NH2+]CCc2scnc2C)cc1OC[C@@H](O)C[N@H+](C)C(C)C	ZINC000011878484	558292719	/nfs/dbraw/zinc/29/27/19/558292719.db2.gz	SAFQHDSIQBNBOW-SFHVURJKSA-N	2	0	407.580	2.872	50	0		HFAARP
COCC[N@H+](C)Cc1ccc(OC)c(OC[C@@H](O)C[NH+](C)Cc2ccccc2)c1	ZINC000012703779	558448659	/nfs/dbraw/zinc/44/86/59/558448659.db2.gz	XMHZYXMQUOVASF-NRFANRHFSA-N	2	0	402.535	2.645	50	0		HFAARP
CC(C)OCCNC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](C3Cc4ccccc4C3)CC2)C1	ZINC000091288816	559070758	/nfs/dbraw/zinc/07/07/58/559070758.db2.gz	AVQOZGREYHGUHQ-QFIPXVFZSA-N	2	0	413.606	2.871	50	0		HFAARP
C[NH+](C)CCNC(=O)CCC1CC[NH+](Cc2cnn(-c3ccc(F)cc3)c2)CC1	ZINC000012000252	558308097	/nfs/dbraw/zinc/30/80/97/558308097.db2.gz	XFWVSTXZDGOALY-UHFFFAOYSA-N	2	0	401.530	2.681	50	0		HFAARP
C[N@@H+](Cc1ccccc1)C[C@H](O)COc1ccc(C[NH2+]CCCn2cccn2)cc1	ZINC000012836505	558478470	/nfs/dbraw/zinc/47/84/70/558478470.db2.gz	FUWTZWIQWOHVOD-QHCPKHFHSA-N	2	0	408.546	2.935	50	0		HFAARP
CC[NH+]1CCN(C[C@H](O)COc2cccc(C[NH2+]C3(c4ccccc4)CC3)c2)CC1	ZINC000019340313	558871336	/nfs/dbraw/zinc/87/13/36/558871336.db2.gz	WDQCDQZOEDHFHI-QHCPKHFHSA-N	2	0	409.574	2.843	50	0		HFAARP
COc1ccc(OC2CC[NH+](C3CCCC3)CC2)c(C(=O)N2CC[NH2+][C@H](C)C2)c1	ZINC000095496505	559081413	/nfs/dbraw/zinc/08/14/13/559081413.db2.gz	QLQOEIGVKRHCEM-QGZVFWFLSA-N	2	0	401.551	2.915	50	0		HFAARP
O=C(NCC[NH+]1CCCCC1)Nc1cccc(NC(=O)NCC[NH+]2CCCCC2)c1	ZINC000005512501	560601256	/nfs/dbraw/zinc/60/12/56/560601256.db2.gz	QHEXMYACQRQXAZ-UHFFFAOYSA-N	2	0	416.570	2.901	50	0		HFAARP
CC1CC[NH+](C[C@H](O)COc2cccc(OC[C@@H](O)C[NH+]3CCC(C)CC3)c2)CC1	ZINC000000787194	568477435	/nfs/dbraw/zinc/47/74/35/568477435.db2.gz	LAASDIIAZJOUPZ-VXKWHMMOSA-N	2	0	420.594	2.630	50	0		HFAARP
COc1ccc(C(OC[C@H](O)C[NH2+]CCC[NH+](C)C)c2ccc(OC)cc2)cc1	ZINC000006936624	569185052	/nfs/dbraw/zinc/18/50/52/569185052.db2.gz	SUGBRHWHFZDEAO-HXUWFJFHSA-N	2	0	402.535	2.712	50	0		HFAARP
COc1ccc(C[NH2+]CCC2=CCCCC2)cc1OC[C@@H](O)CN1CC[NH+](C)CC1	ZINC000020536215	524069609	/nfs/dbraw/zinc/06/96/09/524069609.db2.gz	LXXHBLPKFICASK-QFIPXVFZSA-N	2	0	417.594	2.662	50	0		HFAARP
O[C@@H](COc1ccc(OC[C@H](O)C[NH+]2CCCCCC2)cc1)C[NH+]1CCCCCC1	ZINC000004101529	557513697	/nfs/dbraw/zinc/51/36/97/557513697.db2.gz	AXGXERPVDHXFCP-FGZHOGPDSA-N	2	0	420.594	2.918	50	0		HFAARP
COc1ccc(C[NH2+]CCCC2CCCC2)c(OC[C@H](O)CN2CC[NH+](C)CC2)c1	ZINC000020208109	558347234	/nfs/dbraw/zinc/34/72/34/558347234.db2.gz	IWHPPFALAUJSMY-JOCHJYFZSA-N	2	0	419.610	2.742	50	0		HFAARP
CC[NH+](CC)C[C@H](O)COc1ccc(C[NH2+]CCc2nc(C)cc(C)n2)cc1OC	ZINC000012205306	558352451	/nfs/dbraw/zinc/35/24/51/558352451.db2.gz	ZCMLMUJEZOIGAX-FQEVSTJZSA-N	2	0	416.566	2.516	50	0		HFAARP
COc1cc(C[N@H+](C)CCn2nc(C)cc2C)ccc1OC[C@@H](O)C[NH+](C)C(C)C	ZINC000012443091	558413003	/nfs/dbraw/zinc/41/30/03/558413003.db2.gz	QHLJBHICJYGPKC-NRFANRHFSA-N	2	0	418.582	2.720	50	0		HFAARP
COc1cc(C[N@H+](C)Cc2cccnc2)ccc1OC[C@H](O)C[NH+]1CCSCC1	ZINC000015070680	558712587	/nfs/dbraw/zinc/71/25/87/558712587.db2.gz	ABZYDPZFFPYBQF-HXUWFJFHSA-N	2	0	417.575	2.511	50	0		HFAARP
CC[NH+]1CCC(C(=O)N2CCC[C@@H]([NH+]3CCN(c4ccc(F)cc4)CC3)C2)CC1	ZINC000055091095	558871962	/nfs/dbraw/zinc/87/19/62/558871962.db2.gz	DHEYFJQRGSMLME-JOCHJYFZSA-N	2	0	402.558	2.671	50	0		HFAARP
Cc1nccn1CC[N@@H+](C)Cc1cccc(OC[C@H](O)C[NH+]2CCCCCC2)c1	ZINC000095508160	559083452	/nfs/dbraw/zinc/08/34/52/559083452.db2.gz	AEWWZRYAEOKVOC-JOCHJYFZSA-N	2	0	400.567	2.939	50	0		HFAARP
O=C(NC[C@@H]1CCC[N@@H+](Cc2cnc(-c3ccc(Cl)cc3)nc2)C1)[C@H]1CCC[NH2+]1	ZINC000108460472	568419019	/nfs/dbraw/zinc/41/90/19/568419019.db2.gz	RPDGSOZTXCSYJL-OXJNMPFZSA-N	2	0	413.953	2.877	50	0		HFAARP
CC(=O)N(CCC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)C1CC(C)(C)[NH2+]C(C)(C)C1	ZINC000004127554	568915274	/nfs/dbraw/zinc/91/52/74/568915274.db2.gz	NFXGQRWICVNCMD-UHFFFAOYSA-N	2	0	408.631	2.960	50	0		HFAARP
CC(C)[NH+]1CCC(N2CC[N@@H+](C3CCN(c4ccccc4)CC3)C[C@H]2CCO)CC1	ZINC000104628172	569008977	/nfs/dbraw/zinc/00/89/77/569008977.db2.gz	HBFSNTJTUBYXHF-RUZDIDTESA-N	2	0	414.638	2.897	50	0		HFAARP
COc1ccc(/C=C/CN2CCN(C3CC[NH+](C(C)C)CC3)[C@H](CCO)C2)cc1	ZINC000105278813	569009235	/nfs/dbraw/zinc/00/92/35/569009235.db2.gz	KODRBOFEFKNKTJ-NVIZVJJSSA-N	2	0	401.595	2.950	50	0		HFAARP
[NH3+][C@H]1CC[C@@H](NC(=O)[C@H]2CCC[N@@H+](C3CCN(CCc4ccccc4)CC3)C2)CC1	ZINC000244595016	569056093	/nfs/dbraw/zinc/05/60/93/569056093.db2.gz	DMXWRNSWEQLEGV-RJGXRXQPSA-N	3	0	412.622	2.792	50	0		HFAARP
COCC[N@@H+]1CC[C@H](CNC(=O)c2ccc(C[NH+]3CCc4ccccc4C3)cc2)C1	ZINC000670472544	571094352	/nfs/dbraw/zinc/09/43/52/571094352.db2.gz	NSHNKXDBBZQQOZ-OAQYLSRUSA-N	2	0	407.558	2.943	50	0		HFAARP
C[NH+]1CCN(c2ccc(C(=O)N[C@H]3CCC[N@H+](CCc4ccccc4)C3)cc2)CC1	ZINC000012449443	132360882	/nfs/dbraw/zinc/36/08/82/132360882.db2.gz	ASKRDMROASVETA-QHCPKHFHSA-N	2	0	406.574	2.875	50	0		HFAARP
CC(C)[NH+]1CCC(N2CC[N@H+](Cc3cccc(-n4cccn4)c3)C[C@@H]2CCO)CC1	ZINC000020542016	519670251	/nfs/dbraw/zinc/67/02/51/519670251.db2.gz	XTLWVZOVNBAYFT-DEOSSOPVSA-N	2	0	411.594	2.614	50	0		HFAARP
CCOc1cc(C[NH2+]CC2CC[NH2+]CC2)ccc1Oc1nnnn1-c1ccccc1	ZINC000009356198	557838784	/nfs/dbraw/zinc/83/87/84/557838784.db2.gz	LXZRAPXDSMOFCE-UHFFFAOYSA-N	2	0	408.506	2.943	50	0		HFAARP
C[N@@H+]1CCCN(C(=O)c2nc3sccn3c2C[NH2+]CC[C@@H]2C[C@@H]3C=C[C@H]2C3)CC1	ZINC000020110063	558335328	/nfs/dbraw/zinc/33/53/28/558335328.db2.gz	IZMGRFCBYIGYLQ-FGTMMUONSA-N	2	0	413.591	2.865	50	0		HFAARP
Cc1cc(C)n(CCC[NH2+]Cc2ccccc2OC[C@@H](O)C[NH+]2CCCCC2)n1	ZINC000012754524	558459522	/nfs/dbraw/zinc/45/95/22/558459522.db2.gz	ZGXCHTBEYONSIC-QFIPXVFZSA-N	2	0	400.567	2.905	50	0		HFAARP
CC[NH+](CC)C[C@H](O)COc1ccc(C[NH2+]CCCOc2cccnc2)cc1OC	ZINC000015064717	558707570	/nfs/dbraw/zinc/70/75/70/558707570.db2.gz	WHKYTTGICPOEGF-FQEVSTJZSA-N	2	0	417.550	2.730	50	0		HFAARP
COc1ccc(OC[C@H](O)C[NH+]2CCC(O)CC2)c(C[NH2+]CCCC2CCCC2)c1	ZINC000015072319	558713511	/nfs/dbraw/zinc/71/35/11/558713511.db2.gz	QYIZTMWOIQZIGM-JOCHJYFZSA-N	2	0	420.594	2.952	50	0		HFAARP
[NH3+]CC1CCN(C(=O)[C@H]2CCC[N@@H+](C3CCN(CCc4ccccc4)CC3)C2)CC1	ZINC000082106921	559038244	/nfs/dbraw/zinc/03/82/44/559038244.db2.gz	VWZISELRCJTGMF-QHCPKHFHSA-N	2	0	412.622	2.603	50	0		HFAARP
CC(C)OCCNC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](C3Cc4ccccc4C3)CC2)C1	ZINC000091288812	559070844	/nfs/dbraw/zinc/07/08/44/559070844.db2.gz	AVQOZGREYHGUHQ-JOCHJYFZSA-N	2	0	413.606	2.871	50	0		HFAARP
c1cc(C[NH2+]CCC[NH+]2CCCCCC2)n(-c2nnc(N3CCOCC3)s2)c1	ZINC000015728205	568979218	/nfs/dbraw/zinc/97/92/18/568979218.db2.gz	OQHGEHSZMFRUIW-UHFFFAOYSA-N	2	0	404.584	2.521	50	0		HFAARP
CC[N@@H+]1CCC[C@H](N2CCC(Oc3cccc(C(=O)N(C)CC[NH+](C)C)c3)CC2)C1	ZINC000020539603	521643522	/nfs/dbraw/zinc/64/35/22/521643522.db2.gz	UYFOORLWEJBFIG-NRFANRHFSA-N	2	0	416.610	2.648	50	0		HFAARP
COc1ccc(C[NH2+]CCc2scnc2C)cc1OC[C@H](O)C[N@H+](C)C(C)C	ZINC000011878485	558292839	/nfs/dbraw/zinc/29/28/39/558292839.db2.gz	SAFQHDSIQBNBOW-GOSISDBHSA-N	2	0	407.580	2.872	50	0		HFAARP
CC[NH+]1CCN(C[C@@H](O)COc2ccc(C[NH2+]C3CCCCCC3)cc2OC)CC1	ZINC000020513465	558382606	/nfs/dbraw/zinc/38/26/06/558382606.db2.gz	KZQOSMZXNOIAGR-JOCHJYFZSA-N	2	0	419.610	2.885	50	0		HFAARP
COC(=O)C1CC[NH+](C[C@H](O)COc2ccc(C[NH2+]C3CCCCC3)cc2)CC1	ZINC000012439068	558410540	/nfs/dbraw/zinc/41/05/40/558410540.db2.gz	JNZKPCNPXSQASE-NRFANRHFSA-N	2	0	404.551	2.734	50	0		HFAARP
CC[NH+]1CCN(CC(=O)N[C@@H]2CCC[N@H+](Cc3ccc(CC(C)C)cc3)C2)CC1	ZINC000039421036	558821004	/nfs/dbraw/zinc/82/10/04/558821004.db2.gz	QCZIJXAQAUVFCU-HSZRJFAPSA-N	2	0	400.611	2.603	50	0		HFAARP
CN1[C@@H](c2ccccc2F)[C@@H](C[NH2+]Cc2cccc(OCC[NH+](C)C)c2)C[C@H]1CO	ZINC000055099370	558872297	/nfs/dbraw/zinc/87/22/97/558872297.db2.gz	FZVQXZZWKXPELX-JXALWOEJSA-N	2	0	415.553	2.910	50	0		HFAARP
Cc1cccc(C[NH+]2CCC3(CN(CCCN4CC[C@@H]([NH+](C)C)C4)C(=O)O3)CC2)c1	ZINC000072430147	558979445	/nfs/dbraw/zinc/97/94/45/558979445.db2.gz	WWIOURAPJDVRLX-JOCHJYFZSA-N	2	0	414.594	2.808	50	0		HFAARP
COCCCN(C)C(=O)[C@H]1CCC[N@@H+](C2CC[NH+](C3Cc4ccccc4C3)CC2)C1	ZINC000091713657	559073411	/nfs/dbraw/zinc/07/34/11/559073411.db2.gz	TUWPJTKBGLWWLR-QFIPXVFZSA-N	2	0	413.606	2.825	50	0		HFAARP
COc1cc(C[NH2+]CC(C)(C)CO)ccc1OC[C@@H](O)C[NH+]1CCCCCCC1	ZINC000011841872	559261692	/nfs/dbraw/zinc/26/16/92/559261692.db2.gz	DLOBEKFSACBNQK-FQEVSTJZSA-N	2	0	408.583	2.809	50	0		HFAARP
CC[NH+]1CCN(C[C@H](O)COc2ccc(C[NH2+]CC3CCCCC3)cc2OC)CC1	ZINC000020534717	568629984	/nfs/dbraw/zinc/62/99/84/568629984.db2.gz	ODUSGNMCSBLVAX-QFIPXVFZSA-N	2	0	419.610	2.742	50	0		HFAARP
CCC[NH+]1CCC(N2C[C@@H]([NH2+]Cc3ccc(F)cc3F)C[C@H]2C(=O)NCC)CC1	ZINC000020601687	519844373	/nfs/dbraw/zinc/84/43/73/519844373.db2.gz	UNCLWMWKBDYKML-RXVVDRJESA-N	2	0	408.537	2.508	50	0		HFAARP
Cc1ccc(NC(=O)NCC(C)(C)[NH+](C)C)cc1NC(=O)NCC(C)(C)[NH+](C)C	ZINC000032779631	525155686	/nfs/dbraw/zinc/15/56/86/525155686.db2.gz	YPGWVGCXROPEOI-UHFFFAOYSA-N	2	0	406.575	2.918	50	0		HFAARP
CCn1c[n+](CCOCCOCC[n+]2cn(CC)c3ccccc32)c2ccccc21	ZINC000003121913	557448496	/nfs/dbraw/zinc/44/84/96/557448496.db2.gz	YSOXAHZNTNDSEZ-UHFFFAOYSA-N	2	0	408.546	2.944	50	0		HFAARP
CC[NH+](CC)CCNC(=O)C1CC[NH+](C2CCN(Cc3cccc(C)n3)CC2)CC1	ZINC000011821434	558284879	/nfs/dbraw/zinc/28/48/79/558284879.db2.gz	YPBYZDLKIZFBPH-UHFFFAOYSA-N	2	0	415.626	2.524	50	0		HFAARP
Cn1cc(C[N@H+](C)Cc2cc3ccc(F)cc3n(CC[NH+]3CCCCC3)c2=O)cn1	ZINC000011880941	558295052	/nfs/dbraw/zinc/29/50/52/558295052.db2.gz	MPEWTDKKMKGORM-UHFFFAOYSA-N	2	0	411.525	2.992	50	0		HFAARP
CC[N@@H+]1CCC[C@H]1CNC(=O)CCC1CC[NH+](Cc2cnc(N(C)C)s2)CC1	ZINC000011949426	558302757	/nfs/dbraw/zinc/30/27/57/558302757.db2.gz	NHFGJZCBKVARLN-SFHVURJKSA-N	2	0	407.628	2.802	50	0		HFAARP
C[N@H+](CCC1CCOCC1)Cc1ccccc1OC[C@H](O)C[NH+]1CCSCC1	ZINC000012092370	558324501	/nfs/dbraw/zinc/32/45/01/558324501.db2.gz	CVDFPDBWJMDWRC-OAQYLSRUSA-N	2	0	408.608	2.724	50	0		HFAARP
COc1cc(C[NH+]2CCC(CO)CC2)ccc1OC[C@H](O)C[N@H+](C)C1CCCCC1	ZINC000012612528	558438940	/nfs/dbraw/zinc/43/89/40/558438940.db2.gz	LLSDZPYPXWJLMF-JOCHJYFZSA-N	2	0	420.594	2.904	50	0		HFAARP
COc1cc(C[NH2+]Cc2ccc(C)s2)ccc1OC[C@@H](O)C[NH+]1CCC(O)CC1	ZINC000014949339	558680593	/nfs/dbraw/zinc/68/05/93/558680593.db2.gz	ASDYEDOKKBDRIM-IBGZPJMESA-N	2	0	420.575	2.551	50	0		HFAARP
C[N@H+](Cc1ccc(OC[C@@H](O)CN2CC[NH+](C)CC2)cc1)Cc1cccc(Cl)c1	ZINC000019222760	558852362	/nfs/dbraw/zinc/85/23/62/558852362.db2.gz	LLZFSLKGSYJBTQ-QFIPXVFZSA-N	2	0	417.981	2.959	50	0		HFAARP
C[NH2+]C1CCN(C(=O)[C@H]2CCC[N@@H+](C3CCN(CCc4ccccc4)CC3)C2)CC1	ZINC000082146966	559040882	/nfs/dbraw/zinc/04/08/82/559040882.db2.gz	YMNVLNSDKNSQTM-QFIPXVFZSA-N	2	0	412.622	2.616	50	0		HFAARP
O=C(C1CC[NH+](C2CC[NH+](CCCc3ccccc3)CC2)CC1)N1CCC(O)CC1	ZINC000011662486	559128130	/nfs/dbraw/zinc/12/81/30/559128130.db2.gz	JPMJLADCKWIWEY-UHFFFAOYSA-N	2	0	413.606	2.779	50	0		HFAARP
COc1ccc(C[N@@H+]2CCC[C@@H](CCC(=O)N(C)C3CC[NH+](C)CC3)C2)cc1O	ZINC000011999648	559270567	/nfs/dbraw/zinc/27/05/67/559270567.db2.gz	IEEBVOMNPRWQSE-SFHVURJKSA-N	2	0	403.567	2.946	50	0		HFAARP
O=C(NCC[NH+]1CCCC1)c1cccc(CN2CC[NH+](Cc3ccccc3)CC2)c1	ZINC000096281078	568718376	/nfs/dbraw/zinc/71/83/76/568718376.db2.gz	DZKLXINKBANOMO-UHFFFAOYSA-N	2	0	406.574	2.830	50	0		HFAARP
CC[N@@H+]1CCC[C@H]1CN(CC1CC[NH+](CCOC)CC1)C(=O)/C=C/c1ccco1	ZINC000011816462	558279810	/nfs/dbraw/zinc/27/98/10/558279810.db2.gz	WPMKECIBUNBAMM-SHBDEGQCSA-N	2	0	403.567	2.964	50	0		HFAARP
CN(C[C@H]1CCC[N@H+](CCc2ccc(Cl)cc2)C1)C(=O)CC[NH+]1CCN(C)CC1	ZINC000019836610	558292711	/nfs/dbraw/zinc/29/27/11/558292711.db2.gz	PNEGWEVADMJMFM-OAQYLSRUSA-N	2	0	421.029	2.690	50	0		HFAARP
C[NH+](C)CCn1cnc2sc3c(c2c1=O)CC[C@@H]([NH2+]Cc1ccc(F)cc1F)C3	ZINC000012039313	558312551	/nfs/dbraw/zinc/31/25/51/558312551.db2.gz	LPVAPLPMECWPPN-OAHLLOKOSA-N	2	0	418.513	2.945	50	0		HFAARP
COC[C@@H]1CCC[N@H+](Cc2ccc3c(c2)CN(C(=O)C[NH+]2CCCCC2)CCO3)C1	ZINC000012162051	558341914	/nfs/dbraw/zinc/34/19/14/558341914.db2.gz	QFZMVJIPHFJTFP-OAQYLSRUSA-N	2	0	415.578	2.752	50	0		HFAARP
CC[NH+]1CCN(C[C@H](O)COc2ccc(C[NH2+]C3CCCCCC3)cc2OC)CC1	ZINC000020513470	558382537	/nfs/dbraw/zinc/38/25/37/558382537.db2.gz	KZQOSMZXNOIAGR-QFIPXVFZSA-N	2	0	419.610	2.885	50	0		HFAARP
C[N@@H+](Cc1ccccc1)C[C@@H](O)COc1ccc(C[NH2+]CCCn2cccn2)cc1	ZINC000012836503	558478374	/nfs/dbraw/zinc/47/83/74/558478374.db2.gz	FUWTZWIQWOHVOD-HSZRJFAPSA-N	2	0	408.546	2.935	50	0		HFAARP
Cc1ccc(N2CC[C@H]([NH+]3CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC3)C2=O)cc1	ZINC000072296496	558749571	/nfs/dbraw/zinc/74/95/71/558749571.db2.gz	CVOLTUPXHDQAMK-NRFANRHFSA-N	2	0	414.594	2.516	50	0		HFAARP
CC[NH+]1CCC(C(=O)N2CCC[C@H]([NH+]3CCN(c4ccc(F)cc4)CC3)C2)CC1	ZINC000055091092	558872076	/nfs/dbraw/zinc/87/20/76/558872076.db2.gz	DHEYFJQRGSMLME-QFIPXVFZSA-N	2	0	402.558	2.671	50	0		HFAARP
[NH3+]C1CCN(C(=O)C2CC[NH+](C3CC[NH+](CCCc4ccccc4)CC3)CC2)CC1	ZINC000082145788	559040848	/nfs/dbraw/zinc/04/08/48/559040848.db2.gz	DOIGUJPQRVLZHU-UHFFFAOYSA-N	3	0	412.622	2.745	50	0		HFAARP
CCN(CCOC)C(=O)[C@H]1CCC[N@@H+](C2CC[NH+](C3Cc4ccccc4C3)CC2)C1	ZINC000091602840	559072307	/nfs/dbraw/zinc/07/23/07/559072307.db2.gz	AXPBCGOOVYSESQ-QFIPXVFZSA-N	2	0	413.606	2.825	50	0		HFAARP
C[NH+]1CCN(C[C@@H](O)COc2ccc(C[NH+]3CCC(C(C)(C)C)CC3)cc2)CC1	ZINC000095531749	559087041	/nfs/dbraw/zinc/08/70/41/559087041.db2.gz	DWFJADBHJBRDTB-JOCHJYFZSA-N	2	0	403.611	2.932	50	0		HFAARP
CCC[NH+]1CCC(N2C[C@@H]([NH2+]Cc3ccc(Cl)cc3)C[C@H]2C(=O)NCC)CC1	ZINC000020780141	568643685	/nfs/dbraw/zinc/64/36/85/568643685.db2.gz	QVNYMLLFWPFZEP-FPOVZHCZSA-N	2	0	407.002	2.883	50	0		HFAARP
O=C1CO[C@@H](CNc2cc[nH+]c3ccccc23)CN1CC1CC[NH+](CC2CC2)CC1	ZINC000299784030	568875320	/nfs/dbraw/zinc/87/53/20/568875320.db2.gz	NYXYFUIVSZVCPV-FQEVSTJZSA-N	2	0	408.546	2.996	50	0		HFAARP
C[NH+]1CCN(CCCNC(=O)c2ccc(C[N@@H+]3CCc4ccccc4C3)cc2)CC1	ZINC000022933341	569008067	/nfs/dbraw/zinc/00/80/67/569008067.db2.gz	VRMVVJJBQZOJOR-UHFFFAOYSA-N	2	0	406.574	2.612	50	0		HFAARP
C[C@@H]1CCCC[NH+]1C[C@H](O)COc1ccc(OC[C@@H](O)C[N@H+]2CCCC[C@H]2C)cc1	ZINC000239412534	569054318	/nfs/dbraw/zinc/05/43/18/569054318.db2.gz	SUXCVKYOWFEMAD-CZYKHXBRSA-N	2	0	420.594	2.915	50	0		HFAARP
CC[N@@H+]1CCC[C@H]1CNC(=O)CC[C@H]1CCCN(c2cc(NC3CC3)ncn2)C1	ZINC000249698662	569255407	/nfs/dbraw/zinc/25/54/07/569255407.db2.gz	WAKNLWWSCDEJDY-MJGOQNOKSA-N	2	0	400.571	2.648	50	0		HFAARP
NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@@H]3CCC[NH+]3Cc3ccccc3)cc2)C1	ZINC000195529916	569312008	/nfs/dbraw/zinc/31/20/08/569312008.db2.gz	FSYUFJPGQWHLDD-GGAORHGYSA-N	2	0	420.557	2.987	50	0		HFAARP
CC(C)(C[NH2+]Cc1cccc(OC[C@H](O)C[NH+]2CCCCCC2)c1)N1CCOCC1	ZINC000019721039	569429002	/nfs/dbraw/zinc/42/90/02/569429002.db2.gz	ANBSTSPMEFKSHL-JOCHJYFZSA-N	2	0	419.610	2.503	50	0		HFAARP
CCn1nc(C(=O)NC)c2c1CC[C@@H]([NH2+]CC1([NH+]3CCCCC3)CCCCC1)C2	ZINC000032551015	523614098	/nfs/dbraw/zinc/61/40/98/523614098.db2.gz	VKUCFFVHCNWXDL-GOSISDBHSA-N	2	0	401.599	2.898	50	0		HFAARP
COCC[N@H+](CC1CC[NH+](Cc2ccccc2OC)CC1)C1CCN(C(C)=O)CC1	ZINC000011662635	558266523	/nfs/dbraw/zinc/26/65/23/558266523.db2.gz	FBAQETKTIDDLRG-UHFFFAOYSA-N	2	0	417.594	2.867	50	0		HFAARP
COc1cc(C[NH2+]CCc2ncccc2C)ccc1OC[C@H](O)C[N@H+](C)C(C)C	ZINC000011821072	558284196	/nfs/dbraw/zinc/28/41/96/558284196.db2.gz	SLRNYMMSWKXDJI-HXUWFJFHSA-N	2	0	401.551	2.811	50	0		HFAARP
CC[N@@H+]1CCC[C@H]1CN(CC1CC[NH+](CCOC)CC1)C(=O)c1ccc(OC)o1	ZINC000011934583	558298905	/nfs/dbraw/zinc/29/89/05/558298905.db2.gz	VHIYSWWWEATYKJ-IBGZPJMESA-N	2	0	407.555	2.573	50	0		HFAARP
C[NH+](C)CCN(C[C@@H]1CCC[N@H+](Cc2ccccc2F)C1)C(=O)c1cnsn1	ZINC000011947355	558302393	/nfs/dbraw/zinc/30/23/93/558302393.db2.gz	LOZVEKPLYJRKJR-MRXNPFEDSA-N	2	0	405.543	2.593	50	0		HFAARP
CC[NH+](CC)C[C@@H](O)COc1ccc(C[NH2+]CCc2cccc(C)n2)cc1OC	ZINC000012298937	558368928	/nfs/dbraw/zinc/36/89/28/558368928.db2.gz	YNKATQQJAKKOAX-OAQYLSRUSA-N	2	0	401.551	2.812	50	0		HFAARP
COCCN(CC1CC[NH+](Cc2ccccc2OC)CC1)C(=O)C[NH+]1CCCCC1	ZINC000012386740	558395527	/nfs/dbraw/zinc/39/55/27/558395527.db2.gz	AJIBQIYOOKIURO-UHFFFAOYSA-N	2	0	417.594	2.868	50	0		HFAARP
COc1cc(C[NH+]2CCC(CO)CC2)ccc1OC[C@@H](O)C[N@H+](C)C1CCCCC1	ZINC000012612523	558438971	/nfs/dbraw/zinc/43/89/71/558438971.db2.gz	LLSDZPYPXWJLMF-QFIPXVFZSA-N	2	0	420.594	2.904	50	0		HFAARP
O[C@H](Cn1c2ccccc2c2ccccc21)C[NH+]1CCN(CC[NH+]2CCCC2)CC1	ZINC000022924300	558522814	/nfs/dbraw/zinc/52/28/14/558522814.db2.gz	TVCBOHHHOZCCSR-NRFANRHFSA-N	2	0	406.574	2.869	50	0		HFAARP
Cc1ccc(OC[C@H]2C[C@@H](C(=O)NCC[C@H]3CCC[NH+]3C)C[N@H+](CC(C)C)C2)cn1	ZINC000014753230	558671362	/nfs/dbraw/zinc/67/13/62/558671362.db2.gz	JBJPZUCCBGAGMR-BHDDXSALSA-N	2	0	416.610	2.963	50	0		HFAARP
Cn1cc(CC[N@H+](C)Cc2ccc(OC[C@H](O)C[NH+](C)Cc3ccccc3)cc2)cn1	ZINC000019334184	558869545	/nfs/dbraw/zinc/86/95/45/558869545.db2.gz	XZGFAQISEKNZJD-XMMPIXPASA-N	2	0	422.573	2.966	50	0		HFAARP
COCC(C)(C)NC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](C3Cc4ccccc4C3)CC2)C1	ZINC000091382193	559071369	/nfs/dbraw/zinc/07/13/69/559071369.db2.gz	DSIDNXFBGJUNJJ-OAQYLSRUSA-N	2	0	413.606	2.871	50	0		HFAARP
COc1ccc(C[NH2+]CCOc2ccccc2)cc1OC[C@@H](O)C[NH+]1CCCC1	ZINC000011997396	559270325	/nfs/dbraw/zinc/27/03/25/559270325.db2.gz	WLZUVVAVWLLSIH-FQEVSTJZSA-N	2	0	400.519	2.699	50	0		HFAARP
COC(=O)C1CC[NH+](Cc2cccc(OC[C@H](O)C[NH+]3CCCCCC3)c2)CC1	ZINC000012753886	568942102	/nfs/dbraw/zinc/94/21/02/568942102.db2.gz	UBCKQMQHEIVFJH-OAQYLSRUSA-N	2	0	404.551	2.687	50	0		HFAARP
O=C(NCCC[NH+]1CCCCC1)c1cccc(N2CC[NH2+][C@H](c3ccccc3)C2)n1	ZINC000065256353	569208359	/nfs/dbraw/zinc/20/83/59/569208359.db2.gz	SPIIQFWICSRZST-QFIPXVFZSA-N	2	0	407.562	2.838	50	0		HFAARP
COC(=O)C1CC[NH+](C[C@H](O)COc2cccc(C[NH2+]C3CCCCC3)c2)CC1	ZINC000011662897	558266483	/nfs/dbraw/zinc/26/64/83/558266483.db2.gz	XKTCQFUAMQDKMH-NRFANRHFSA-N	2	0	404.551	2.734	50	0		HFAARP
Cn1nccc1C(=O)N(CCC[NH+](C)C)CC1CC[NH+](C2Cc3ccccc3C2)CC1	ZINC000012386354	558395020	/nfs/dbraw/zinc/39/50/20/558395020.db2.gz	GCCHGPYEBRXAIU-UHFFFAOYSA-N	2	0	423.605	2.693	50	0		HFAARP
COCC[NH+]1CCC(C[N@H+](Cc2ccncc2)Cc2ccc(OCCO)cc2)CC1	ZINC000012448147	558415318	/nfs/dbraw/zinc/41/53/18/558415318.db2.gz	SYPNJFAABCPHTM-UHFFFAOYSA-N	2	0	413.562	2.813	50	0		HFAARP
CCN(C[C@H]1CCC[N@H+](CCc2cccc(F)c2)C1)C(=O)CN1CC[NH+](CC)CC1	ZINC000023374618	558553945	/nfs/dbraw/zinc/55/39/45/558553945.db2.gz	DRVRPSRYLCFQJZ-QFIPXVFZSA-N	2	0	418.601	2.566	50	0		HFAARP
O=C(NCC[N@H+]1CCCC[C@@H]1CO)c1ccc(C[NH+]2CCc3ccccc3C2)cc1	ZINC000670439910	568889650	/nfs/dbraw/zinc/88/96/50/568889650.db2.gz	RTGJEPZUNMKERY-XMMPIXPASA-N	2	0	407.558	2.822	50	0		HFAARP
COCCN(C[C@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1)C(=O)C[NH+]1CCCCC1	ZINC000012713866	568915718	/nfs/dbraw/zinc/91/57/18/568915718.db2.gz	QPNRIWUTQRHWLB-NRFANRHFSA-N	2	0	413.606	2.827	50	0		HFAARP
O=C(NCCC[NH+]1CCCCC1)c1ccnc(N2CC[NH2+][C@@H](c3ccccc3)C2)c1	ZINC000065256024	569208246	/nfs/dbraw/zinc/20/82/46/569208246.db2.gz	DPYSWCJWOBRUMB-JOCHJYFZSA-N	2	0	407.562	2.838	50	0		HFAARP
O=C(NCCC[NH+]1CCCCC1)c1cccc(N2CC[NH2+][C@@H](c3ccccc3)C2)n1	ZINC000065256354	569208436	/nfs/dbraw/zinc/20/84/36/569208436.db2.gz	SPIIQFWICSRZST-JOCHJYFZSA-N	2	0	407.562	2.838	50	0		HFAARP
[NH2+]=C1Nc2nc3cc4c(cc3n2C2(CC[NH+](Cc3ccccc3)CC2)N1)OCCCO4	ZINC000007738310	569305170	/nfs/dbraw/zinc/30/51/70/569305170.db2.gz	YIEDHLSORSDQBA-UHFFFAOYSA-N	2	0	418.501	2.696	50	0		HFAARP
C[NH+](C)CCN(C[C@H]1CCC[N@H+](Cc2ccccc2F)C1)C(=O)c1csnn1	ZINC000011844575	558289295	/nfs/dbraw/zinc/28/92/95/558289295.db2.gz	MTJDEDQJMVXVPQ-INIZCTEOSA-N	2	0	405.543	2.593	50	0		HFAARP
O[C@H](COc1ccccc1C[NH2+]CCOc1ccccc1)C[NH+]1CCSCC1	ZINC000012073409	558318451	/nfs/dbraw/zinc/31/84/51/558318451.db2.gz	NJAHAMFENUZHJD-FQEVSTJZSA-N	2	0	402.560	2.644	50	0		HFAARP
COc1ccc(C[NH2+]CCc2cn[nH]c2)cc1OC[C@H](O)C[N@H+](C)Cc1ccccc1	ZINC000012701797	558448015	/nfs/dbraw/zinc/44/80/15/558448015.db2.gz	RPXMKHMNWZDDIF-JOCHJYFZSA-N	2	0	424.545	2.622	50	0		HFAARP
COC(=O)C1CC[NH+](C[C@@H](O)COc2ccc(C[NH2+]Cc3ccsc3)cc2)CC1	ZINC000015062689	558705441	/nfs/dbraw/zinc/70/54/41/558705441.db2.gz	SLKPUIUKKQWSPC-HXUWFJFHSA-N	2	0	418.559	2.663	50	0		HFAARP
COc1cc(C[NH2+]C(C2CC2)C2CC2)ccc1OC[C@@H](O)C[NH+]1CCSCC1	ZINC000015064422	558707323	/nfs/dbraw/zinc/70/73/23/558707323.db2.gz	ZPQLWKUUBMSLAX-IBGZPJMESA-N	2	0	406.592	2.762	50	0		HFAARP
O=C(NCc1ccon1)[C@@H]1CCC[N@@H+](C2CC[NH+](C3Cc4ccccc4C3)CC2)C1	ZINC000015073889	558714760	/nfs/dbraw/zinc/71/47/60/558714760.db2.gz	ZHLKCROGWOCPGI-HXUWFJFHSA-N	2	0	408.546	2.635	50	0		HFAARP
CC[NH+]1CCN(CC(=O)N[C@H]2CCC[N@H+](Cc3ccc(CC(C)C)cc3)C2)CC1	ZINC000039421037	558821024	/nfs/dbraw/zinc/82/10/24/558821024.db2.gz	QCZIJXAQAUVFCU-QHCPKHFHSA-N	2	0	400.611	2.603	50	0		HFAARP
CC(C)[NH+]1CCC2(CC1)C(=O)N(CCC[NH+](C)C)C(=O)N2CCc1ccccc1	ZINC000019224790	558852516	/nfs/dbraw/zinc/85/25/16/558852516.db2.gz	MPBDUKZARJQHSA-UHFFFAOYSA-N	2	0	400.567	2.688	50	0		HFAARP
Cn1cc(CC[NH2+]Cc2cccc(OC[C@H](O)C[N@@H+]3CCc4ccccc4C3)c2)cn1	ZINC000019224578	558852633	/nfs/dbraw/zinc/85/26/33/558852633.db2.gz	WBWPETXPBKZMJY-XMMPIXPASA-N	2	0	420.557	2.550	50	0		HFAARP
CCC[C@H]([NH3+])C(=O)N1CCC2(CN(CCC[N@H+](C)C3CCCCC3)C(=O)O2)CC1	ZINC000077393220	559003716	/nfs/dbraw/zinc/00/37/16/559003716.db2.gz	TUSQDDHXNXWVRD-IBGZPJMESA-N	2	0	408.587	2.582	50	0		HFAARP
[NH3+]C[C@H]1CCN(C(=O)C2CC[NH+](C3CC[NH+](CCCc4ccccc4)CC3)CC2)C1	ZINC000082127211	559039826	/nfs/dbraw/zinc/03/98/26/559039826.db2.gz	RZPNDYYOBZNRAO-JOCHJYFZSA-N	3	0	412.622	2.603	50	0		HFAARP
COC(C)(C)CNC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](C3Cc4ccccc4C3)CC2)C1	ZINC000091621045	559072438	/nfs/dbraw/zinc/07/24/38/559072438.db2.gz	ZDPINOKCHZMYGH-NRFANRHFSA-N	2	0	413.606	2.871	50	0		HFAARP
COC[C@@]12CC[C@@H]([NH+]3CCOCC3)C[C@H]1CC[N@H+](Cc1cccc3nonc31)C2	ZINC000095354193	559079656	/nfs/dbraw/zinc/07/96/56/559079656.db2.gz	IRMKBPBRSNBVBM-KNKQGSTJSA-N	2	0	400.523	2.562	50	0		HFAARP
Cc1nccn1CC[N@@H+](C)Cc1cccc(OC[C@@H](O)C[NH+]2CCCCCC2)c1	ZINC000095508161	559083488	/nfs/dbraw/zinc/08/34/88/559083488.db2.gz	AEWWZRYAEOKVOC-QFIPXVFZSA-N	2	0	400.567	2.939	50	0		HFAARP
COc1ccc(C[NH2+]CCOc2ccccc2)cc1OC[C@H](O)C[NH+]1CCCC1	ZINC000011997402	559270366	/nfs/dbraw/zinc/27/03/66/559270366.db2.gz	WLZUVVAVWLLSIH-HXUWFJFHSA-N	2	0	400.519	2.699	50	0		HFAARP
CC[NH+](CC)CCOC(=O)NCCCCCCNC(=O)OCC[NH+](CC)CC	ZINC000004775530	571045206	/nfs/dbraw/zinc/04/52/06/571045206.db2.gz	KETHSIZJDSAPFL-UHFFFAOYSA-N	2	0	402.580	2.683	50	0		HFAARP
O=C1CC[C@@H](CC[NH2+]Cc2cccnc2)N1CC1([NH+]2CCOCC2)CCCCC1	ZINC000012218870	558354693	/nfs/dbraw/zinc/35/46/93/558354693.db2.gz	LUUBGNNRSMHBDG-NRFANRHFSA-N	2	0	400.567	2.587	50	0		HFAARP
O[C@H](COc1ccccc1C[NH2+]CCc1ccc(F)cc1)C[NH+]1CCSCC1	ZINC000012754804	558459860	/nfs/dbraw/zinc/45/98/60/558459860.db2.gz	YYRPKDAEJBLUDC-NRFANRHFSA-N	2	0	404.551	2.947	50	0		HFAARP
CCN1C(=O)N(CC[NH+](C)C)C(=O)C12CC[NH+](Cc1ccc(SC)cc1)CC2	ZINC000014535627	558658048	/nfs/dbraw/zinc/65/80/48/558658048.db2.gz	QTOPJURTQMCLER-UHFFFAOYSA-N	2	0	404.580	2.589	50	0		HFAARP
C[NH+](C)CCNC(=O)CCC1CC[NH+](C2CCN(Cc3ccccc3)CC2)CC1	ZINC000014953450	558681507	/nfs/dbraw/zinc/68/15/07/558681507.db2.gz	PCAOQUNBONLOJK-UHFFFAOYSA-N	2	0	400.611	2.821	50	0		HFAARP
Cc1ccc(N2CC[C@@H]([NH+]3CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC3)C2=O)cc1	ZINC000072296497	558749591	/nfs/dbraw/zinc/74/95/91/558749591.db2.gz	CVOLTUPXHDQAMK-OAQYLSRUSA-N	2	0	414.594	2.516	50	0		HFAARP
COc1ccc(C[N@H+](CCO)Cc2ccccc2)cc1OC[C@H](O)C[NH+](C)C(C)C	ZINC000019146917	558846828	/nfs/dbraw/zinc/84/68/28/558846828.db2.gz	FOOWJMHHSASREZ-JOCHJYFZSA-N	2	0	416.562	2.770	50	0		HFAARP
COCC[N@H+](C)CCN1CC2(CC[NH+](Cc3cc(C)c(C)cc3C)CC2)OC1=O	ZINC000072430537	558979442	/nfs/dbraw/zinc/97/94/42/558979442.db2.gz	HATFFOBASHJNON-UHFFFAOYSA-N	2	0	403.567	2.977	50	0		HFAARP
COc1ccc(OC2CC[NH+](C3CCCC3)CC2)c(C(=O)NC2CC[NH2+]CC2)c1	ZINC000095519887	559085135	/nfs/dbraw/zinc/08/51/35/559085135.db2.gz	UZVYVXUIVQNKEY-UHFFFAOYSA-N	2	0	401.551	2.963	50	0		HFAARP
CC[N@@H+]1CCC[C@H]1CN(CC1CC[NH+](CCOC)CC1)C(=O)c1[nH]c(C)cc1C	ZINC000011813838	559260307	/nfs/dbraw/zinc/26/03/07/559260307.db2.gz	FZSCIEGFKCUOSD-NRFANRHFSA-N	2	0	404.599	2.916	50	0		HFAARP
CC1CC[NH+](C[C@@H](O)COc2cccc(OC[C@H](O)C[NH+]3CCC(C)CC3)c2)CC1	ZINC000000787191	568477463	/nfs/dbraw/zinc/47/74/63/568477463.db2.gz	LAASDIIAZJOUPZ-FGZHOGPDSA-N	2	0	420.594	2.630	50	0		HFAARP
COC(=O)C1CC[NH+](Cc2cccc(OC[C@@H](O)C[NH+]3CCCCCC3)c2)CC1	ZINC000012753881	568942105	/nfs/dbraw/zinc/94/21/05/568942105.db2.gz	UBCKQMQHEIVFJH-NRFANRHFSA-N	2	0	404.551	2.687	50	0		HFAARP
CC(C)[NH+]1CCC(N2CC[N@H+](Cc3ccc(-n4cccn4)cc3)C[C@H]2CCO)CC1	ZINC000104322767	569008381	/nfs/dbraw/zinc/00/83/81/569008381.db2.gz	WBZPKMDWPKCNFW-XMMPIXPASA-N	2	0	411.594	2.614	50	0		HFAARP
COc1ccc(C[NH2+]CCc2cccc(C)n2)cc1OC[C@@H](O)C[NH+]1CCCCC1	ZINC000011821900	558285125	/nfs/dbraw/zinc/28/51/25/558285125.db2.gz	NAMGRNWVJFIZCH-QFIPXVFZSA-N	2	0	413.562	2.957	50	0		HFAARP
CC(C)[NH+]1CCC(N2CC[N@H+](Cc3ccc(-n4cccn4)cc3)C[C@@H]2CCO)CC1	ZINC000019835728	558292800	/nfs/dbraw/zinc/29/28/00/558292800.db2.gz	WBZPKMDWPKCNFW-DEOSSOPVSA-N	2	0	411.594	2.614	50	0		HFAARP
CC[NH+](CC)C[C@H](O)COc1ccc(C[NH2+]CCc2cccc(C)n2)cc1OC	ZINC000012298938	558369093	/nfs/dbraw/zinc/36/90/93/558369093.db2.gz	YNKATQQJAKKOAX-NRFANRHFSA-N	2	0	401.551	2.812	50	0		HFAARP
CC[NH+]1CCN(C[C@@H](O)COc2cccc(C[NH2+]CCc3ccccc3F)c2)CC1	ZINC000023375312	558554907	/nfs/dbraw/zinc/55/49/07/558554907.db2.gz	KEFYBFXZWINWRX-JOCHJYFZSA-N	2	0	415.553	2.535	50	0		HFAARP
Cc1ccc(OC[C@H]2C[C@@H](C(=O)NCC[NH+](C)C)C[N@@H+](CCc3ccccc3)C2)cn1	ZINC000014539704	558659406	/nfs/dbraw/zinc/65/94/06/558659406.db2.gz	YCYQTHQGYUGDDQ-XZOQPEGZSA-N	2	0	424.589	2.627	50	0		HFAARP
Cc1cccc(C[N@H+]2CC=C(c3noc(CCC(=O)NCC[NH+]4CCCC4)n3)CC2)c1	ZINC000033069246	558865854	/nfs/dbraw/zinc/86/58/54/558865854.db2.gz	MAILNULYTWBYCK-UHFFFAOYSA-N	2	0	423.561	2.812	50	0		HFAARP
CC[NH+](CC)CCC(=O)N1CCC[C@H]([NH+]2CCN(c3ccccc3OC)CC2)C1	ZINC000055198211	558875733	/nfs/dbraw/zinc/87/57/33/558875733.db2.gz	RMIDLTXNYXKOIK-FQEVSTJZSA-N	2	0	402.583	2.540	50	0		HFAARP
O=C(C[N@@H+]1CCC[C@H]1C1CC[NH+](Cc2ccccc2)CC1)NC(=O)NCc1ccco1	ZINC000057991177	558892674	/nfs/dbraw/zinc/89/26/74/558892674.db2.gz	VDNOLBGVTHUUJP-QFIPXVFZSA-N	2	0	424.545	2.982	50	0		HFAARP
CN(CC[NH+](C)C)C(=O)[C@@H]1CCC[N@@H+](C2CCN(c3nc4ccccc4o3)CC2)C1	ZINC000091391000	559071409	/nfs/dbraw/zinc/07/14/09/559071409.db2.gz	AVPYROJJJWRXJG-GOSISDBHSA-N	2	0	413.566	2.529	50	0		HFAARP
COC[C@@]12CC[C@@H]([NH+]3CCOCC3)C[C@H]1CC[N@H+](Cc1cc(C(C)=O)cn1C)C2	ZINC000095374631	559080385	/nfs/dbraw/zinc/08/03/85/559080385.db2.gz	UXUNZBWVZRZIGT-XPNTWCBSSA-N	2	0	403.567	2.567	50	0		HFAARP
CC[NH+]1CCN(C[C@H](O)COc2cccc(C[N@@H+]3CCC4(CCCC4)C3)c2)CC1	ZINC000095511453	559083921	/nfs/dbraw/zinc/08/39/21/559083921.db2.gz	GLZZBMUDNLLUCO-QFIPXVFZSA-N	2	0	401.595	2.830	50	0		HFAARP
NC(=O)[C@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@@H]3CCC[NH+]3Cc3ccccc3)cc2)C1	ZINC000095947536	568665168	/nfs/dbraw/zinc/66/51/68/568665168.db2.gz	FSYUFJPGQWHLDD-GMAHTHKFSA-N	2	0	420.557	2.987	50	0		HFAARP
COc1ccc(N2C(=O)C[C@@H]([NH2+]CC3CC[NH+](Cc4cccs4)CC3)C2=O)cc1	ZINC000004784519	557597695	/nfs/dbraw/zinc/59/76/95/557597695.db2.gz	VOUALPXYIVKCMY-HXUWFJFHSA-N	2	0	413.543	2.890	50	0		HFAARP
COc1ccc(C[NH2+]CC(C)(C)CO)cc1OC[C@@H](O)C[N@H+](C)Cc1ccccc1	ZINC000011879587	558294326	/nfs/dbraw/zinc/29/43/26/558294326.db2.gz	SXBGUTOUCKLHNR-NRFANRHFSA-N	2	0	416.562	2.675	50	0		HFAARP
COc1ccccc1C[N@@H+]1CCC[C@H](CN(CC[NH+](C)C)C(=O)c2cc(C)on2)C1	ZINC000012073734	558318685	/nfs/dbraw/zinc/31/86/85/558318685.db2.gz	UWQIVFMGGIMAMT-IBGZPJMESA-N	2	0	414.550	2.908	50	0		HFAARP
COc1ccc(N2C(=O)C[C@H]([NH2+]CC3CC[NH+](Cc4cccs4)CC3)C2=O)cc1	ZINC000020248951	558351920	/nfs/dbraw/zinc/35/19/20/558351920.db2.gz	VOUALPXYIVKCMY-FQEVSTJZSA-N	2	0	413.543	2.890	50	0		HFAARP
CC[NH+](CC)C[C@@H](O)COc1ccc(C[NH2+]CCc2nc(C)cc(C)n2)cc1OC	ZINC000012205300	558352436	/nfs/dbraw/zinc/35/24/36/558352436.db2.gz	ZCMLMUJEZOIGAX-HXUWFJFHSA-N	2	0	416.566	2.516	50	0		HFAARP
COCC1CC[NH+](Cc2ccc(OC)c(OC[C@@H](O)C[NH+]3CCCCC3)c2)CC1	ZINC000012456157	558417359	/nfs/dbraw/zinc/41/73/59/558417359.db2.gz	NXJGUIAOAOIOBU-NRFANRHFSA-N	2	0	406.567	2.779	50	0		HFAARP
CC(C)c1ccccc1OC[C@@H](O)C[NH2+]CCN1CC[NH+](Cc2ccccc2)CC1	ZINC000022032953	558459346	/nfs/dbraw/zinc/45/93/46/558459346.db2.gz	ZSRULZPFIHBATJ-QHCPKHFHSA-N	2	0	411.590	2.957	50	0		HFAARP
CC[NH+]1CCN(C[C@H](O)COc2cccc(C[NH2+]Cc3ccc(C)s3)c2)CC1	ZINC000022851335	558516951	/nfs/dbraw/zinc/51/69/51/558516951.db2.gz	UWPAJAQAMJEPGR-FQEVSTJZSA-N	2	0	403.592	2.724	50	0		HFAARP
C[NH+]1CCN(C[C@H](O)COc2ccc(C[NH2+]Cc3cccc(Cl)c3)cc2)CC1	ZINC000023374915	558554575	/nfs/dbraw/zinc/55/45/75/558554575.db2.gz	SFERWGNCWISTDO-NRFANRHFSA-N	2	0	403.954	2.617	50	0		HFAARP
CC(C)CCN1C(=O)N(CC[NH+](C)C)C(=O)C12CC[NH+](Cc1cccc(O)c1)CC2	ZINC000014747333	558669543	/nfs/dbraw/zinc/66/95/43/558669543.db2.gz	QIHFUBPULVJNNL-UHFFFAOYSA-N	2	0	416.566	2.599	50	0		HFAARP
Cc1nnsc1C(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@H+](Cc2ccccc2F)C1	ZINC000014961131	558684115	/nfs/dbraw/zinc/68/41/15/558684115.db2.gz	DTQPCTXZTXHBSB-QGZVFWFLSA-N	2	0	419.570	2.902	50	0		HFAARP
C[NH+]1CCN(C[C@H](O)COc2ccc(C[NH+]3CCC(C(C)(C)C)CC3)cc2)CC1	ZINC000095531750	559087077	/nfs/dbraw/zinc/08/70/77/559087077.db2.gz	DWFJADBHJBRDTB-QFIPXVFZSA-N	2	0	403.611	2.932	50	0		HFAARP
COc1ccc(-c2cc(N(CCC[NH+](C)C)CCC[NH+](C)C)n3ncnc3n2)cc1	ZINC000023322919	559142895	/nfs/dbraw/zinc/14/28/95/559142895.db2.gz	YCGVLBRPNJSTKJ-UHFFFAOYSA-N	2	0	411.554	2.510	50	0		HFAARP
C[NH+](C)CCNC(=O)c1ccc(C[NH+]2CCN(c3ccc(Cl)cc3)CC2)cc1	ZINC000034684566	557387614	/nfs/dbraw/zinc/38/76/14/557387614.db2.gz	TUWFCKLLWYISAK-UHFFFAOYSA-N	2	0	400.954	2.954	50	0		HFAARP
COc1cc(C[NH2+]CCc2ncccc2C)ccc1OC[C@@H](O)C[N@H+](C)C(C)C	ZINC000011821071	558284287	/nfs/dbraw/zinc/28/42/87/558284287.db2.gz	SLRNYMMSWKXDJI-FQEVSTJZSA-N	2	0	401.551	2.811	50	0		HFAARP
C[NH+](C)CCN(C[C@H]1CCC[N@H+](Cc2ccccc2F)C1)C(=O)c1cnsn1	ZINC000011947361	558302355	/nfs/dbraw/zinc/30/23/55/558302355.db2.gz	LOZVEKPLYJRKJR-INIZCTEOSA-N	2	0	405.543	2.593	50	0		HFAARP
CC[N@@H+]1CCC[C@H]1CNC(=O)CCC1CC[NH+](Cc2cccn2-c2ncccn2)CC1	ZINC000012582842	558433073	/nfs/dbraw/zinc/43/30/73/558433073.db2.gz	HTHQTTGSZQJNSC-NRFANRHFSA-N	2	0	424.593	2.860	50	0		HFAARP
COC(=O)CCCC(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@H+](Cc2ccccc2F)C1	ZINC000012746095	558458190	/nfs/dbraw/zinc/45/81/90/558458190.db2.gz	JKSURTGOKNTPAJ-IBGZPJMESA-N	2	0	421.557	2.771	50	0		HFAARP
COc1cc(C[NH2+]Cc2ccc(C)s2)ccc1OC[C@H](O)C[NH+]1CCC(O)CC1	ZINC000014949342	558680549	/nfs/dbraw/zinc/68/05/49/558680549.db2.gz	ASDYEDOKKBDRIM-LJQANCHMSA-N	2	0	420.575	2.551	50	0		HFAARP
CC[N@@H+]1CCC[C@H]1CN(CC1CC[NH+](CCOC)CC1)C(=O)C(=O)c1ccccc1	ZINC000014959574	558683564	/nfs/dbraw/zinc/68/35/64/558683564.db2.gz	ITJMJRGNTMGKJH-QFIPXVFZSA-N	2	0	415.578	2.541	50	0		HFAARP
CCn1nc(C(=O)N2CCC[N@H+](C)CC2)c2c1CC[C@H]([NH+](C)Cc1ccsc1)C2	ZINC000019143719	558846425	/nfs/dbraw/zinc/84/64/25/558846425.db2.gz	KCDHGXGGGZZKIQ-SFHVURJKSA-N	2	0	415.607	2.732	50	0		HFAARP
COC[C@H](C)NC(=O)C1CC[NH+](C2CC[NH+](CCCc3ccccc3)CC2)CC1	ZINC000019301102	558866501	/nfs/dbraw/zinc/86/65/01/558866501.db2.gz	WSGKKUPPECNCDT-FQEVSTJZSA-N	2	0	401.595	2.947	50	0		HFAARP
O=C(C[N@@H+]1CCC[C@@H]1C1CC[NH+](Cc2ccccc2)CC1)NC(=O)NCc1ccco1	ZINC000057991179	558892580	/nfs/dbraw/zinc/89/25/80/558892580.db2.gz	VDNOLBGVTHUUJP-JOCHJYFZSA-N	2	0	424.545	2.982	50	0		HFAARP
O=C(NC[C@H]1CCOC1)C1CC[NH+](C2CC[NH+](CCCc3ccccc3)CC2)CC1	ZINC000082097110	559037580	/nfs/dbraw/zinc/03/75/80/559037580.db2.gz	YYSZIMQGMPJISN-JOCHJYFZSA-N	2	0	413.606	2.948	50	0		HFAARP
COC[C@@]12CC[C@@H]([NH+]3CCOCC3)C[C@H]1CC[N@H+](Cc1cnc(C(C)C)nc1)C2	ZINC000095364028	559080040	/nfs/dbraw/zinc/08/00/40/559080040.db2.gz	ULBDUQQMTBHWPA-XPNTWCBSSA-N	2	0	402.583	2.939	50	0		HFAARP
CC[N@@H+]1CCC[C@@H](N2CCC(Oc3cccc(C(=O)N(C)CC[NH+](C)C)c3)CC2)C1	ZINC000020539601	521617842	/nfs/dbraw/zinc/61/78/42/521617842.db2.gz	UYFOORLWEJBFIG-OAQYLSRUSA-N	2	0	416.610	2.648	50	0		HFAARP
COCCOC1CC[NH+](Cc2ccccc2OC[C@H](O)C[NH+]2CCCCC2)CC1	ZINC000011767992	558274081	/nfs/dbraw/zinc/27/40/81/558274081.db2.gz	JNSKKBPUOWXAGU-OAQYLSRUSA-N	2	0	406.567	2.540	50	0		HFAARP
CCC[N@@H+](Cc1cc(OC)ccc1OC[C@H](O)C[NH+]1CCC(O)CC1)CC1CC1	ZINC000011842103	558287445	/nfs/dbraw/zinc/28/74/45/558287445.db2.gz	ZLJVLUGZSLBOQG-OAQYLSRUSA-N	2	0	406.567	2.514	50	0		HFAARP
O[C@@H](COc1ccccc1C[NH2+]CCOc1ccccc1)C[NH+]1CCSCC1	ZINC000012073406	558318469	/nfs/dbraw/zinc/31/84/69/558318469.db2.gz	NJAHAMFENUZHJD-HXUWFJFHSA-N	2	0	402.560	2.644	50	0		HFAARP
CC(C)[NH+]1CCC(N2CC[N@@H+](C3CCN(c4ccccc4)CC3)C[C@@H]2CCO)CC1	ZINC000020449917	558365096	/nfs/dbraw/zinc/36/50/96/558365096.db2.gz	HBFSNTJTUBYXHF-VWLOTQADSA-N	2	0	414.638	2.897	50	0		HFAARP
COc1ccc(OC[C@H](O)C[NH+]2CCC(O)CC2)c(C[N@H+](C)C2CCCCC2)c1	ZINC000012455586	558417090	/nfs/dbraw/zinc/41/70/90/558417090.db2.gz	RTEWLXLGZFCDIX-OAQYLSRUSA-N	2	0	406.567	2.656	50	0		HFAARP
CC[NH+]1CCN(C[C@@H](O)COc2cccc(C[N@H+](C)Cc3ccc(F)cc3)c2)CC1	ZINC000022852924	558517201	/nfs/dbraw/zinc/51/72/01/558517201.db2.gz	WKGLPHKYIXGYTP-HSZRJFAPSA-N	2	0	415.553	2.835	50	0		HFAARP
CC[NH+]1CCN(C[C@H](O)COc2cccc(C[N@H+](C)Cc3ccc(F)cc3)c2)CC1	ZINC000022852923	558517299	/nfs/dbraw/zinc/51/72/99/558517299.db2.gz	WKGLPHKYIXGYTP-QHCPKHFHSA-N	2	0	415.553	2.835	50	0		HFAARP
C[NH+]1CCN(C[C@@H](O)COc2ccc(C[NH2+]Cc3cccc(Cl)c3)cc2)CC1	ZINC000023374913	558554609	/nfs/dbraw/zinc/55/46/09/558554609.db2.gz	SFERWGNCWISTDO-OAQYLSRUSA-N	2	0	403.954	2.617	50	0		HFAARP
CC[NH+](CC)CCN(C)C(=O)c1ccc(-c2ccsc2)nc1N1CC[NH+](C)CC1	ZINC000014884360	558677244	/nfs/dbraw/zinc/67/72/44/558677244.db2.gz	XJJJYNADIWQPJV-UHFFFAOYSA-N	2	0	415.607	2.976	50	0		HFAARP
COc1cc(C[NH2+]CC(C)(C)CO)ccc1OC[C@H](O)C[N@H+](C)C1CCCCC1	ZINC000014981262	558691511	/nfs/dbraw/zinc/69/15/11/558691511.db2.gz	CHGHRFINSZUERU-HXUWFJFHSA-N	2	0	408.583	2.808	50	0		HFAARP
CC[NH+](CC)C[C@@H](O)COc1ccc(C[NH2+]CCCOc2cccnc2)cc1OC	ZINC000015064716	558707601	/nfs/dbraw/zinc/70/76/01/558707601.db2.gz	WHKYTTGICPOEGF-HXUWFJFHSA-N	2	0	417.550	2.730	50	0		HFAARP
COc1cc(C[N@H+](C)Cc2cccnc2)ccc1OC[C@@H](O)C[NH+]1CCSCC1	ZINC000015070678	558712524	/nfs/dbraw/zinc/71/25/24/558712524.db2.gz	ABZYDPZFFPYBQF-FQEVSTJZSA-N	2	0	417.575	2.511	50	0		HFAARP
C[C@@H](CCn1cccn1)[NH+]1CCC([NH+]2CCC(C(=O)NCc3cccnc3)CC2)CC1	ZINC000015075293	558715842	/nfs/dbraw/zinc/71/58/42/558715842.db2.gz	VQZKPXXBRRZEHW-FQEVSTJZSA-N	2	0	424.593	2.550	50	0		HFAARP
C[N@@H+](CCc1ccccc1)CCN1CC2(CC[NH+]([C@H]3CCCOC3)CC2)OC1=O	ZINC000072422124	558978675	/nfs/dbraw/zinc/97/86/75/558978675.db2.gz	CFGINOSGGXPPTC-NRFANRHFSA-N	2	0	401.551	2.627	50	0		HFAARP
[NH3+]CC1CCN(C(=O)[C@@H]2CCC[N@@H+](C3CCN(CCc4ccccc4)CC3)C2)CC1	ZINC000082106922	559038363	/nfs/dbraw/zinc/03/83/63/559038363.db2.gz	VWZISELRCJTGMF-HSZRJFAPSA-N	2	0	412.622	2.603	50	0		HFAARP
CC[NH+]1CCN(C[C@@H](O)COc2cccc(C[N@@H+]3CCC4(CCCC4)C3)c2)CC1	ZINC000095511454	559084065	/nfs/dbraw/zinc/08/40/65/559084065.db2.gz	GLZZBMUDNLLUCO-JOCHJYFZSA-N	2	0	401.595	2.830	50	0		HFAARP
O=C(NCC[N@H+]1CCCC[C@H]1CO)c1ccc(C[NH+]2CCc3ccccc3C2)cc1	ZINC000670439907	568889813	/nfs/dbraw/zinc/88/98/13/568889813.db2.gz	RTGJEPZUNMKERY-DEOSSOPVSA-N	2	0	407.558	2.822	50	0		HFAARP
COC(=O)C1CC[NH+](C[C@@H](O)COc2cccc(C[NH2+]C3CCCCC3)c2)CC1	ZINC000011662898	558266470	/nfs/dbraw/zinc/26/64/70/558266470.db2.gz	XKTCQFUAMQDKMH-OAQYLSRUSA-N	2	0	404.551	2.734	50	0		HFAARP
COCC[NH+]1CCC(C[N@H+](Cc2ccncc2)Cc2ccccc2OCCO)CC1	ZINC000012432898	558406941	/nfs/dbraw/zinc/40/69/41/558406941.db2.gz	GJQJHPNNHIZMKB-UHFFFAOYSA-N	2	0	413.562	2.813	50	0		HFAARP
O[C@H](COc1cccc(C[NH2+]CCc2ccccc2Cl)c1)C[NH+]1CCC(O)CC1	ZINC000012755831	558460053	/nfs/dbraw/zinc/46/00/53/558460053.db2.gz	SYPRRHHHWFRMET-NRFANRHFSA-N	2	0	418.965	2.869	50	0		HFAARP
COc1cc(C[NH2+]Cc2ccc(F)cc2)ccc1OC[C@@H](O)C[NH+]1CCSCC1	ZINC000014974654	558688812	/nfs/dbraw/zinc/68/88/12/558688812.db2.gz	BZVRHOZBWHQLSM-FQEVSTJZSA-N	2	0	420.550	2.913	50	0		HFAARP
COc1cc(C[NH2+]Cc2ccc(F)cc2)ccc1OC[C@H](O)C[NH+]1CCSCC1	ZINC000014974657	558688855	/nfs/dbraw/zinc/68/88/55/558688855.db2.gz	BZVRHOZBWHQLSM-HXUWFJFHSA-N	2	0	420.550	2.913	50	0		HFAARP
Cc1cccc(C[NH+]2CCC3(CN(CCCN4CC[C@H]([NH+](C)C)C4)C(=O)O3)CC2)c1	ZINC000072430144	558979439	/nfs/dbraw/zinc/97/94/39/558979439.db2.gz	WWIOURAPJDVRLX-QFIPXVFZSA-N	2	0	414.594	2.808	50	0		HFAARP
C[NH2+]C1CCN(C(=O)[C@@H]2CCC[N@@H+](C3CCN(CCc4ccccc4)CC3)C2)CC1	ZINC000082146964	559040887	/nfs/dbraw/zinc/04/08/87/559040887.db2.gz	YMNVLNSDKNSQTM-JOCHJYFZSA-N	2	0	412.622	2.616	50	0		HFAARP
CCC[NH+]1CCC(N2C[C@H]([NH2+]Cc3ccc(F)c(F)c3)C[C@H]2C(=O)NCC)CC1	ZINC000023358761	559173151	/nfs/dbraw/zinc/17/31/51/559173151.db2.gz	LUSYZJAOMNAGQN-UTKZUKDTSA-N	2	0	408.537	2.508	50	0		HFAARP
COc1cc(C[NH2+]CC(C)(C)CO)ccc1OC[C@H](O)C[NH+]1CCCCCCC1	ZINC000011841874	559261690	/nfs/dbraw/zinc/26/16/90/559261690.db2.gz	DLOBEKFSACBNQK-HXUWFJFHSA-N	2	0	408.583	2.809	50	0		HFAARP
CC(C)NC(=O)C1CC[NH+](C2CCN(C(=O)C3([NH+]4CCCC4)CCCC3)CC2)CC1	ZINC000012570691	568862252	/nfs/dbraw/zinc/86/22/52/568862252.db2.gz	KCTNDBMFRZAKRX-UHFFFAOYSA-N	2	0	418.626	2.623	50	0		HFAARP
O[C@H](COc1ccc(OC[C@@H](O)C[NH+]2CCCCCC2)cc1)C[NH+]1CCCCCC1	ZINC000004101531	557513726	/nfs/dbraw/zinc/51/37/26/557513726.db2.gz	AXGXERPVDHXFCP-VXKWHMMOSA-N	2	0	420.594	2.918	50	0		HFAARP
COC(=O)C1CC[NH+](C[C@H](O)COc2cccc(C[NH2+]Cc3ccccc3)c2)CC1	ZINC000011879366	558293858	/nfs/dbraw/zinc/29/38/58/558293858.db2.gz	VNSOZHZYBIMMQN-QFIPXVFZSA-N	2	0	412.530	2.601	50	0		HFAARP
COC[C@H]1CCC[N@H+](Cc2ccc3c(c2)CN(C(=O)C[NH+]2CCCCC2)CCO3)C1	ZINC000012162059	558342008	/nfs/dbraw/zinc/34/20/08/558342008.db2.gz	QFZMVJIPHFJTFP-NRFANRHFSA-N	2	0	415.578	2.752	50	0		HFAARP
COc1ccc(C[NH2+]CCn2cccn2)cc1OC[C@@H](O)C[N@H+](C)Cc1ccccc1	ZINC000012592689	558436385	/nfs/dbraw/zinc/43/63/85/558436385.db2.gz	VYUNRSJLKOMHLY-QFIPXVFZSA-N	2	0	424.545	2.553	50	0		HFAARP
C[NH+](C)CCN(C[C@H]1CCC[N@H+](Cc2ccccc2F)C1)C(=O)C[NH+]1CCCCC1	ZINC000012835640	558478156	/nfs/dbraw/zinc/47/81/56/558478156.db2.gz	SZJQMWLWHKNGBO-NRFANRHFSA-N	3	0	418.601	2.914	50	0		HFAARP
CC(C)CCN1C(=O)N(CC[NH+](C)C)C(=O)C12CC[NH+](C1CCSCC1)CC2	ZINC000014748185	558670061	/nfs/dbraw/zinc/67/00/61/558670061.db2.gz	CADYPQOPMUNKGW-UHFFFAOYSA-N	2	0	410.628	2.589	50	0		HFAARP
C[C@H](CCn1cccn1)[NH+]1CCC([NH+]2CCC(C(=O)NCc3cccnc3)CC2)CC1	ZINC000015075294	558715830	/nfs/dbraw/zinc/71/58/30/558715830.db2.gz	VQZKPXXBRRZEHW-HXUWFJFHSA-N	2	0	424.593	2.550	50	0		HFAARP
COc1ccc(C[NH+]2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)c(OC)c1OC	ZINC000004699152	558907263	/nfs/dbraw/zinc/90/72/63/558907263.db2.gz	XMKNHOAVDRXRBT-UHFFFAOYSA-N	2	0	421.582	2.628	50	0		HFAARP
CC1(C)CC([NH2+]C[C@]2(O)CCCN(Cc3cccc(F)c3F)C2=O)CC(C)(C)[NH2+]1	ZINC000067723787	558991849	/nfs/dbraw/zinc/99/18/49/558991849.db2.gz	KBCSVIGIVWJKQT-JOCHJYFZSA-N	2	0	409.521	2.717	50	0		HFAARP
C[NH+]1CCC(N2CCC([N@@H+]3CCC[C@H](C(=O)NCCc4ccccc4)C3)CC2)CC1	ZINC000082134504	559040010	/nfs/dbraw/zinc/04/00/10/559040010.db2.gz	DBVDSWFFNGOBHA-QFIPXVFZSA-N	2	0	412.622	2.616	50	0		HFAARP
Cc1cc(CNC(=O)[C@@H]2CCC[N@@H+](C3CC[NH+](C4Cc5ccccc5C4)CC3)C2)on1	ZINC000091690019	559072945	/nfs/dbraw/zinc/07/29/45/559072945.db2.gz	VKXPEKDDCPOGMI-OAQYLSRUSA-N	2	0	422.573	2.943	50	0		HFAARP
O=C(NC[C@H]1CCC[N@@H+](Cc2cnc(-c3ccc(Cl)cc3)nc2)C1)[C@@H]1CCC[NH2+]1	ZINC000097021067	568766432	/nfs/dbraw/zinc/76/64/32/568766432.db2.gz	RPDGSOZTXCSYJL-UZLBHIALSA-N	2	0	413.953	2.877	50	0		HFAARP
C[C@@H]1CCCC[NH+]1C[C@H](O)COc1ccc(OC[C@@H](O)C[N@H+]2CCCC[C@@H]2C)cc1	ZINC000239412535	569054301	/nfs/dbraw/zinc/05/43/01/569054301.db2.gz	SUXCVKYOWFEMAD-LRSLUSHPSA-N	2	0	420.594	2.915	50	0		HFAARP
[NH3+][C@H]1CC[C@@H](NC(=O)[C@@H]2CCC[N@@H+](C3CCN(CCc4ccccc4)CC3)C2)CC1	ZINC000244595017	569056109	/nfs/dbraw/zinc/05/61/09/569056109.db2.gz	DMXWRNSWEQLEGV-ZLNRFVROSA-N	3	0	412.622	2.792	50	0		HFAARP
C[NH+]1CCN(c2ccc(C(=O)N[C@H]3CCC[N@@H+](C4Cc5ccccc5C4)C3)cc2)CC1	ZINC000012437549	132359928	/nfs/dbraw/zinc/35/99/28/132359928.db2.gz	GBFZFUHGTVCVGS-QHCPKHFHSA-N	2	0	418.585	2.800	50	0		HFAARP
COc1ccc(OC[C@H](O)C[NH+](C)C)c(CNCC2([NH+]3CCCCC3)CCCC2)c1	ZINC000032516111	524969701	/nfs/dbraw/zinc/96/97/01/524969701.db2.gz	BATMBJSGKJQTPP-OAQYLSRUSA-N	2	0	419.610	2.885	50	0		HFAARP
C[NH+](C)CCN(C[C@@H]1CCC[N@H+](Cc2ccccc2F)C1)C(=O)c1csnn1	ZINC000011844574	558289309	/nfs/dbraw/zinc/28/93/09/558289309.db2.gz	MTJDEDQJMVXVPQ-MRXNPFEDSA-N	2	0	405.543	2.593	50	0		HFAARP
O=C(NC[C@H]1CCCO1)C1CC[NH+](C2CC[NH+](C3Cc4ccccc4C3)CC2)CC1	ZINC000012701890	558448084	/nfs/dbraw/zinc/44/80/84/558448084.db2.gz	FCQRCMUVXAWSBN-XMMPIXPASA-N	2	0	411.590	2.625	50	0		HFAARP
CC(C)(C)n1nc[n+](-c2ccc(Oc3ccc(-[n+]4cnn(C(C)(C)C)n4)cc3)cc2)n1	ZINC000004602952	558846153	/nfs/dbraw/zinc/84/61/53/558846153.db2.gz	CIKLTFHYQPWHSE-UHFFFAOYSA-N	2	0	420.521	2.725	50	0		HFAARP
O=C([C@@H]1CCC[N@@H+](C2CC[NH+](C3Cc4ccccc4C3)CC2)C1)N1CCCOCC1	ZINC000091663470	559072854	/nfs/dbraw/zinc/07/28/54/559072854.db2.gz	GRROLAWQPDYBIY-JOCHJYFZSA-N	2	0	411.590	2.579	50	0		HFAARP
O=C(NC[C@H]1CCC[N@@H+](Cc2cnc(-c3ccc(Cl)cc3)nc2)C1)[C@H]1CCC[NH2+]1	ZINC000108460474	568418984	/nfs/dbraw/zinc/41/89/84/568418984.db2.gz	RPDGSOZTXCSYJL-OXQOHEQNSA-N	2	0	413.953	2.877	50	0		HFAARP
CCn1cc(C[NH2+]Cc2cccc(OC[C@H](O)C[N@@H+]3CCc4ccccc4C3)c2)cn1	ZINC000012303642	568464932	/nfs/dbraw/zinc/46/49/32/568464932.db2.gz	OIZXIMDHAYLGQN-XMMPIXPASA-N	2	0	420.557	2.991	50	0		HFAARP
CC[NH+]1CCN(C[C@@H](O)COc2ccc(C[NH2+]CC3CCCCC3)cc2OC)CC1	ZINC000020534714	568630114	/nfs/dbraw/zinc/63/01/14/568630114.db2.gz	ODUSGNMCSBLVAX-JOCHJYFZSA-N	2	0	419.610	2.742	50	0		HFAARP
CCCC[NH+]1CCN(C(=O)c2ccnc(N3CC[NH2+][C@H](c4ccccc4)C3)c2)CC1	ZINC000065255989	569208043	/nfs/dbraw/zinc/20/80/43/569208043.db2.gz	FBWNOQFPTPWMJB-QFIPXVFZSA-N	2	0	407.562	2.790	50	0		HFAARP
C[NH+](C)CCNC(=O)CCC1CC[NH+](C2CCN(c3ccccc3F)CC2)CC1	ZINC000011933084	132352340	/nfs/dbraw/zinc/35/23/40/132352340.db2.gz	IORWQLWOPVQITH-UHFFFAOYSA-N	2	0	404.574	2.965	50	0		HFAARP
COc1ccc(C[NH2+]Cc2cnn(C)c2)cc1OC[C@H](O)C[N@H+](C)Cc1ccccc1	ZINC000011709702	558271189	/nfs/dbraw/zinc/27/11/89/558271189.db2.gz	CYVWIBKRTRKKHH-JOCHJYFZSA-N	2	0	424.545	2.590	50	0		HFAARP
COc1ccc(C[NH2+]CCc2c(C)n[nH]c2C)cc1OC[C@H](O)C[NH+]1CCCCC1	ZINC000012589587	558435326	/nfs/dbraw/zinc/43/53/26/558435326.db2.gz	RTCVBPAWQDQPCZ-HXUWFJFHSA-N	2	0	416.566	2.593	50	0		HFAARP
COC(=O)CCCC(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@H+](Cc2ccccc2F)C1	ZINC000012746092	558458015	/nfs/dbraw/zinc/45/80/15/558458015.db2.gz	JKSURTGOKNTPAJ-LJQANCHMSA-N	2	0	421.557	2.771	50	0		HFAARP
Cn1cc(CC[NH2+]Cc2cccc(OC[C@@H](O)C[N@@H+]3CCc4ccccc4C3)c2)cn1	ZINC000019224574	558852327	/nfs/dbraw/zinc/85/23/27/558852327.db2.gz	WBWPETXPBKZMJY-DEOSSOPVSA-N	2	0	420.557	2.550	50	0		HFAARP
Cc1ccccc1CN1CCC([NH+]2CCC(C(=O)NCC[NH+]3CCCC3)CC2)CC1	ZINC000019225402	558852547	/nfs/dbraw/zinc/85/25/47/558852547.db2.gz	PNSOUNOYXNUHMA-UHFFFAOYSA-N	2	0	412.622	2.883	50	0		HFAARP
CC(C)c1ccccc1OC[C@H](O)C[NH2+]CCN1CC[NH+](Cc2ccccc2)CC1	ZINC000019365073	558876866	/nfs/dbraw/zinc/87/68/66/558876866.db2.gz	ZSRULZPFIHBATJ-HSZRJFAPSA-N	2	0	411.590	2.957	50	0		HFAARP
O[C@H](COc1cccc(C[NH2+]CCN2CCCC2)c1)C[N@@H+]1CCc2ccccc2C1	ZINC000020779383	568643793	/nfs/dbraw/zinc/64/37/93/568643793.db2.gz	IGAKWZHHHRCZGA-DEOSSOPVSA-N	2	0	409.574	2.670	50	0		HFAARP
CCN(CC)C(=O)[C@@H]1CCC[N@H+](Cc2ccc(C(=O)NCC[NH+]3CCCCC3)o2)C1	ZINC000096281081	568671686	/nfs/dbraw/zinc/67/16/86/568671686.db2.gz	DTQAEKNWJBZCGI-LJQANCHMSA-N	2	0	418.582	2.576	50	0		HFAARP
CCN(CC)C(=O)[C@H]1CCC[N@H+](Cc2ccc(C(=O)NCC[NH+]3CCCCC3)o2)C1	ZINC000096281082	568671864	/nfs/dbraw/zinc/67/18/64/568671864.db2.gz	DTQAEKNWJBZCGI-IBGZPJMESA-N	2	0	418.582	2.576	50	0		HFAARP
CC[N@@H+]1CCC[C@@H]1CN(CC1CC[NH+](CCOC)CC1)C(=O)/C=C/c1ccco1	ZINC000011816461	558279760	/nfs/dbraw/zinc/27/97/60/558279760.db2.gz	WPMKECIBUNBAMM-MHNQQFQPSA-N	2	0	403.567	2.964	50	0		HFAARP
CC[N@H+](Cc1ccncc1)Cc1ccccc1OC[C@@H](O)C[NH+]1CCSCC1	ZINC000011936839	558300755	/nfs/dbraw/zinc/30/07/55/558300755.db2.gz	MUUAUYBXLYIADO-NRFANRHFSA-N	2	0	401.576	2.892	50	0		HFAARP
C[N@H+](CCC1CCOCC1)Cc1ccccc1OC[C@@H](O)C[NH+]1CCSCC1	ZINC000012092367	558324527	/nfs/dbraw/zinc/32/45/27/558324527.db2.gz	CVDFPDBWJMDWRC-NRFANRHFSA-N	2	0	408.608	2.724	50	0		HFAARP
COc1cc(C[NH2+]C(C2CC2)C2CC2)ccc1OC[C@H](O)C[NH+]1CCSCC1	ZINC000015064423	558707272	/nfs/dbraw/zinc/70/72/72/558707272.db2.gz	ZPQLWKUUBMSLAX-LJQANCHMSA-N	2	0	406.592	2.762	50	0		HFAARP
Cc1ccccc1CN1CCC([NH+]2CCC(C(=O)N3CC[C@H]([NH+](C)C)C3)CC2)CC1	ZINC000055072825	558871535	/nfs/dbraw/zinc/87/15/35/558871535.db2.gz	YLQKHEALYBWQCA-DEOSSOPVSA-N	2	0	412.622	2.834	50	0		HFAARP
CCC[NH+](CCC)CCNC(=O)c1sc2ncnc(N3CC[NH+](C)CC3)c2c1C	ZINC000033048231	558884587	/nfs/dbraw/zinc/88/45/87/558884587.db2.gz	QPJORBKXKSNIHH-UHFFFAOYSA-N	2	0	418.611	2.603	50	0		HFAARP
CCN(CCOC)C(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](C3Cc4ccccc4C3)CC2)C1	ZINC000091602838	559072314	/nfs/dbraw/zinc/07/23/14/559072314.db2.gz	AXPBCGOOVYSESQ-JOCHJYFZSA-N	2	0	413.606	2.825	50	0		HFAARP
O[C@H](COc1cccc(C[NH2+]CCCn2cccn2)c1)C[N@@H+]1CCc2ccccc2C1	ZINC000011817785	559260449	/nfs/dbraw/zinc/26/04/49/559260449.db2.gz	MZCLLPOTHSHWHF-DEOSSOPVSA-N	2	0	420.557	2.861	50	0		HFAARP
CCn1cc(C[NH2+]Cc2cccc(OC[C@@H](O)C[N@@H+]3CCc4ccccc4C3)c2)cn1	ZINC000012303641	568464835	/nfs/dbraw/zinc/46/48/35/568464835.db2.gz	OIZXIMDHAYLGQN-DEOSSOPVSA-N	2	0	420.557	2.991	50	0		HFAARP
COc1ccc(C(OC[C@@H](O)C[NH2+]CCC[NH+](C)C)c2ccc(OC)cc2)cc1	ZINC000006936621	569185114	/nfs/dbraw/zinc/18/51/14/569185114.db2.gz	SUGBRHWHFZDEAO-FQEVSTJZSA-N	2	0	402.535	2.712	50	0		HFAARP
O=C(NCCC[NH+]1CCCCC1)c1ccnc(N2CC[NH2+][C@H](c3ccccc3)C2)c1	ZINC000065256023	569208258	/nfs/dbraw/zinc/20/82/58/569208258.db2.gz	DPYSWCJWOBRUMB-QFIPXVFZSA-N	2	0	407.562	2.838	50	0		HFAARP
CC[NH+](CC)CCc1ccc(NC(=O)NC[C@@H](C(C)C)[NH+]2CCN(C)CC2)cc1	ZINC000170612073	569246417	/nfs/dbraw/zinc/24/64/17/569246417.db2.gz	RNBNBKPHLZYHDQ-QFIPXVFZSA-N	2	0	403.615	2.964	50	0		HFAARP
CC1CC[NH+](C[C@@H](O)COc2ccc(OC[C@H](O)C[NH+]3CCC(C)CC3)cc2)CC1	ZINC000004714304	557586111	/nfs/dbraw/zinc/58/61/11/557586111.db2.gz	PQWUJLKTIKKLKM-FGZHOGPDSA-N	2	0	420.594	2.630	50	0		HFAARP
CC[N@@H+]1CCC[C@@H]1CN(CC1CC[NH+](CCOC)CC1)C(=O)c1ccc(OC)o1	ZINC000011934582	558298882	/nfs/dbraw/zinc/29/88/82/558298882.db2.gz	VHIYSWWWEATYKJ-LJQANCHMSA-N	2	0	407.555	2.573	50	0		HFAARP
CC[C@@H](O)CNC(=O)C1CC[NH+](C2CC[NH+](CCCc3ccccc3)CC2)CC1	ZINC000020455040	558369005	/nfs/dbraw/zinc/36/90/05/558369005.db2.gz	RQYCPCUKSQOWCE-HSZRJFAPSA-N	2	0	401.595	2.683	50	0		HFAARP
CN1CCC([NH+]2CCC(C[N@H+](Cc3ccc(CO)o3)Cc3ccncc3)CC2)CC1	ZINC000012302140	558371719	/nfs/dbraw/zinc/37/17/19/558371719.db2.gz	UPQMAIHPSKFVBD-UHFFFAOYSA-N	2	0	412.578	2.975	50	0		HFAARP
O[C@@H](COc1ccccc1C[NH2+]CCc1ccc(F)cc1)C[NH+]1CCSCC1	ZINC000012754798	558459478	/nfs/dbraw/zinc/45/94/78/558459478.db2.gz	YYRPKDAEJBLUDC-OAQYLSRUSA-N	2	0	404.551	2.947	50	0		HFAARP
C[NH+](C)CCn1cnc2sc3c(c2c1=O)CC[C@@H]([NH2+]Cc1ccc(F)c(F)c1)C3	ZINC000014984227	558692721	/nfs/dbraw/zinc/69/27/21/558692721.db2.gz	YGOUTYSJCFOSJR-CQSZACIVSA-N	2	0	418.513	2.945	50	0		HFAARP
O=C(NCc1ccon1)[C@H]1CCC[N@@H+](C2CC[NH+](C3Cc4ccccc4C3)CC2)C1	ZINC000015073890	558714743	/nfs/dbraw/zinc/71/47/43/558714743.db2.gz	ZHLKCROGWOCPGI-FQEVSTJZSA-N	2	0	408.546	2.635	50	0		HFAARP
CCn1nc(C(=O)N2CCC[N@H+](C)CC2)c2c1CC[C@@H]([NH+](C)Cc1ccsc1)C2	ZINC000019143724	558846460	/nfs/dbraw/zinc/84/64/60/558846460.db2.gz	KCDHGXGGGZZKIQ-GOSISDBHSA-N	2	0	415.607	2.732	50	0		HFAARP
CC[NH+]1CCN(CCN2CC3(CC[NH+](C/C=C/c4ccccc4)CC3)OC2=O)CC1	ZINC000072411568	558977817	/nfs/dbraw/zinc/97/78/17/558977817.db2.gz	BDYQFVUIDXFVBC-RMKNXTFCSA-N	2	0	412.578	2.624	50	0		HFAARP
O=C(NC[C@@H]1CCC[NH2+]1)C1CC[NH+](C2CC[NH+](CCCc3ccccc3)CC2)CC1	ZINC000082091864	559037140	/nfs/dbraw/zinc/03/71/40/559037140.db2.gz	DWEZXJACRCSKPP-QHCPKHFHSA-N	3	0	412.622	2.664	50	0		HFAARP
Cc1ccccc1N1CCC([N@@H+]2CC[C@H](N3CCOCC3)[C@H](CCCO)C2)CC1	ZINC000091966335	559074801	/nfs/dbraw/zinc/07/48/01/559074801.db2.gz	IBJYDIRQJIVHAV-QPPBQGQZSA-N	2	0	401.595	2.759	50	0		HFAARP
C[NH+]1CCC2(CC[N@H+](Cc3ccc(OC[C@H](O)C[NH+]4CCCCC4)cc3)C2)CC1	ZINC000095500291	559082086	/nfs/dbraw/zinc/08/20/86/559082086.db2.gz	MABUPBVCTYOKBQ-JOCHJYFZSA-N	3	0	401.595	2.830	50	0		HFAARP
O[C@@H](COc1cccc(C[NH2+]CCCn2cccn2)c1)C[N@@H+]1CCc2ccccc2C1	ZINC000011817784	559260443	/nfs/dbraw/zinc/26/04/43/559260443.db2.gz	MZCLLPOTHSHWHF-XMMPIXPASA-N	2	0	420.557	2.861	50	0		HFAARP
COc1ccc(C[N@@H+]2CCC[C@H](CCC(=O)N(C)C3CC[NH+](C)CC3)C2)cc1O	ZINC000011999651	559270551	/nfs/dbraw/zinc/27/05/51/559270551.db2.gz	IEEBVOMNPRWQSE-GOSISDBHSA-N	2	0	403.567	2.946	50	0		HFAARP
CC[N@@H+]1CCC[C@@H]1CNC(=O)CC[C@H]1CCCN(c2cc(NC3CC3)ncn2)C1	ZINC000249698661	569255424	/nfs/dbraw/zinc/25/54/24/569255424.db2.gz	WAKNLWWSCDEJDY-IEBWSBKVSA-N	2	0	400.571	2.648	50	0		HFAARP
CC1CC[NH+](C[C@H](O)COc2ccc(OC[C@@H](O)C[NH+]3CCC(C)CC3)cc2)CC1	ZINC000004714305	557586117	/nfs/dbraw/zinc/58/61/17/557586117.db2.gz	PQWUJLKTIKKLKM-VXKWHMMOSA-N	2	0	420.594	2.630	50	0		HFAARP
COCCCNC(=O)C1CC[NH+](C2CC[NH+](CCCc3ccccc3)CC2)CC1	ZINC000011818351	558281541	/nfs/dbraw/zinc/28/15/41/558281541.db2.gz	CJVZLKKIWBTLHP-UHFFFAOYSA-N	2	0	401.595	2.948	50	0		HFAARP
C[NH+](C)CCn1ccc(NC(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)n1	ZINC000097164690	558998519	/nfs/dbraw/zinc/99/85/19/558998519.db2.gz	LGBMHYRJNAXULX-UHFFFAOYSA-N	2	0	402.568	2.680	50	0		HFAARP
COc1ccc(OC2CC[NH+](C3CCCC3)CC2)c(C(=O)N2CCC[NH2+]CC2)c1	ZINC000095521774	559085481	/nfs/dbraw/zinc/08/54/81/559085481.db2.gz	BQMPXXBXJJKTPZ-UHFFFAOYSA-N	2	0	401.551	2.917	50	0		HFAARP
COCCOC1CC[NH+](Cc2cccc(OC[C@H](O)C[NH+]3CCCCCC3)c2)CC1	ZINC000012590834	568868463	/nfs/dbraw/zinc/86/84/63/568868463.db2.gz	ZRVMFWDZGDTJSK-JOCHJYFZSA-N	2	0	420.594	2.930	50	0		HFAARP
C[NH+](C)CCCN(CC1CC[NH+](C2Cc3ccccc3C2)CC1)C(=O)[C@H]1CCCO1	ZINC000012302317	558372055	/nfs/dbraw/zinc/37/20/55/558372055.db2.gz	SREYZCDDUMNULR-XMMPIXPASA-N	2	0	413.606	2.825	50	0		HFAARP
COc1ccc(C[NH+]2CCC(O)CC2)cc1OC[C@@H](O)C[N@H+](C)Cc1ccccc1	ZINC000012463898	558419889	/nfs/dbraw/zinc/41/98/89/558419889.db2.gz	DFNOKCSPYOFKSG-QFIPXVFZSA-N	2	0	414.546	2.524	50	0		HFAARP
COc1ccc(C[NH2+]C2CCCCCCC2)c(OC[C@H](O)CN2CC[NH+](C)CC2)c1	ZINC000020998837	558427964	/nfs/dbraw/zinc/42/79/64/558427964.db2.gz	TVDGWIZMDXNYNM-JOCHJYFZSA-N	2	0	419.610	2.885	50	0		HFAARP
COC(=O)C1CC[NH+](C[C@@H](O)COc2ccc(C[NH2+]Cc3ccccc3)cc2)CC1	ZINC000012708755	558451075	/nfs/dbraw/zinc/45/10/75/558451075.db2.gz	YFVOYXBEGUSUKX-JOCHJYFZSA-N	2	0	412.530	2.601	50	0		HFAARP
Cc1ccc(OC[C@H]2C[C@@H](C(=O)NCC[C@@H]3CCC[NH+]3C)C[N@H+](CC(C)C)C2)cn1	ZINC000014753228	558671393	/nfs/dbraw/zinc/67/13/93/558671393.db2.gz	JBJPZUCCBGAGMR-BDTNDASRSA-N	2	0	416.610	2.963	50	0		HFAARP
CC[NH+](CC)CC(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@H+](Cc2ccccc2OC)C1	ZINC000014951620	558681172	/nfs/dbraw/zinc/68/11/72/558681172.db2.gz	XHDNWSWSAQGAJP-OAQYLSRUSA-N	3	0	418.626	2.639	50	0		HFAARP
Cn1cc(CC[N@H+](C)Cc2ccc(OC[C@@H](O)C[NH+](C)Cc3ccccc3)cc2)cn1	ZINC000019334179	558869435	/nfs/dbraw/zinc/86/94/35/558869435.db2.gz	XZGFAQISEKNZJD-DEOSSOPVSA-N	2	0	422.573	2.966	50	0		HFAARP
CCCC[N@H+](CC)CCNC(=O)c1sc2ncnc(N3CC[NH+](C)CC3)c2c1C	ZINC000033048228	558884593	/nfs/dbraw/zinc/88/45/93/558884593.db2.gz	LSSWAIZUMLVZQN-UHFFFAOYSA-N	2	0	418.611	2.603	50	0		HFAARP
COc1ccc(OC2CC[NH+](C3CCCC3)CC2)c(C(=O)NC[C@@H]2CCC[NH2+]2)c1	ZINC000095504024	559082933	/nfs/dbraw/zinc/08/29/33/559082933.db2.gz	UYSFRGRLRITBGN-KRWDZBQOSA-N	2	0	401.551	2.963	50	0		HFAARP
CC[NH+](CC)CCCNC(=O)C1=C(C)C(=O)OC12CC[NH+](Cc1ccccc1)CC2	ZINC000020531700	568627307	/nfs/dbraw/zinc/62/73/07/568627307.db2.gz	KDSADQUZULGMOH-UHFFFAOYSA-N	2	0	413.562	2.743	50	0	biogenic	HFAARP
CCCNc1cc(N2CCC[C@@H](CCC(=O)NC[C@H]3CCC[N@@H+]3CC)C2)ncn1	ZINC000245326089	571225116	/nfs/dbraw/zinc/22/51/16/571225116.db2.gz	DBTVTGAUTCUXIL-RBUKOAKNSA-N	2	0	402.587	2.896	50	0		HFAARP
COc1ccc(C[NH2+]CCC2=CCCCC2)cc1OC[C@H](O)CN1CC[NH+](C)CC1	ZINC000020536218	524069581	/nfs/dbraw/zinc/06/95/81/524069581.db2.gz	LXXHBLPKFICASK-JOCHJYFZSA-N	2	0	417.594	2.662	50	0		HFAARP
CN1CCC([NH+]2CCC(C[N@H+](CCCn3cccn3)Cc3ccncc3)CC2)CC1	ZINC000011817349	558280746	/nfs/dbraw/zinc/28/07/46/558280746.db2.gz	CFWFLPWDDJCGIM-UHFFFAOYSA-N	2	0	410.610	2.977	50	0		HFAARP
COc1ccc(C[NH2+]CCCC2CCCC2)c(OC[C@@H](O)CN2CC[NH+](C)CC2)c1	ZINC000020208105	558347242	/nfs/dbraw/zinc/34/72/42/558347242.db2.gz	IWHPPFALAUJSMY-QFIPXVFZSA-N	2	0	419.610	2.742	50	0		HFAARP
CN1CCC([NH+]2CCC(Oc3ccc(C(=O)NCC[NH+](C)C)cc3Cl)CC2)CC1	ZINC000020877921	558419703	/nfs/dbraw/zinc/41/97/03/558419703.db2.gz	FSNPXHDTNUMOIT-UHFFFAOYSA-N	2	0	423.001	2.569	50	0		HFAARP
COc1ccc(C[NH+]2CCC(O)CC2)cc1OC[C@H](O)C[N@H+](C)Cc1ccccc1	ZINC000012463901	558419910	/nfs/dbraw/zinc/41/99/10/558419910.db2.gz	DFNOKCSPYOFKSG-JOCHJYFZSA-N	2	0	414.546	2.524	50	0		HFAARP
COc1ccc(C[NH2+]C2CCCCCCC2)c(OC[C@@H](O)CN2CC[NH+](C)CC2)c1	ZINC000020998835	558427926	/nfs/dbraw/zinc/42/79/26/558427926.db2.gz	TVDGWIZMDXNYNM-QFIPXVFZSA-N	2	0	419.610	2.885	50	0		HFAARP
C[NH+](C)CCN(C[C@@H]1CCC[N@H+](Cc2ccccc2F)C1)C(=O)C[NH+]1CCCCC1	ZINC000012835638	558478097	/nfs/dbraw/zinc/47/80/97/558478097.db2.gz	SZJQMWLWHKNGBO-OAQYLSRUSA-N	3	0	418.601	2.914	50	0		HFAARP
CC[NH+](CC)CC(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@H+](Cc2ccccc2OC)C1	ZINC000014951625	558681235	/nfs/dbraw/zinc/68/12/35/558681235.db2.gz	XHDNWSWSAQGAJP-NRFANRHFSA-N	3	0	418.626	2.639	50	0		HFAARP
COc1cc(C[NH2+]CC(C)(C)CO)ccc1OC[C@@H](O)C[N@H+](C)C1CCCCC1	ZINC000014981260	558691750	/nfs/dbraw/zinc/69/17/50/558691750.db2.gz	CHGHRFINSZUERU-FQEVSTJZSA-N	2	0	408.583	2.808	50	0		HFAARP
CC[NH+]1CCN(CCCN2CC3(CC[NH+](Cc4cccc(C)c4)CC3)OC2=O)CC1	ZINC000072407444	558977129	/nfs/dbraw/zinc/97/71/29/558977129.db2.gz	BAIFWOVNNNMUEW-UHFFFAOYSA-N	2	0	414.594	2.809	50	0		HFAARP
O=C(NCC1CC[NH2+]CC1)[C@H]1CCC[N@@H+](C2CCN(CCc3ccccc3)CC2)C1	ZINC000082107185	559038435	/nfs/dbraw/zinc/03/84/35/559038435.db2.gz	HIRLMPOTUSVEON-QHCPKHFHSA-N	2	0	412.622	2.521	50	0		HFAARP
NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@H]3CCC[NH+]3Cc3ccccc3)cc2)C1	ZINC000250642102	559276649	/nfs/dbraw/zinc/27/66/49/559276649.db2.gz	FSYUFJPGQWHLDD-FYYLOGMGSA-N	2	0	420.557	2.987	50	0		HFAARP
CC[N@H+](CCCNC(=O)C1=C(C)C(=O)OC12CC[NH+](CC)CC2)Cc1ccccc1	ZINC000020531748	568627669	/nfs/dbraw/zinc/62/76/69/568627669.db2.gz	AKGPOEPNMAGERE-UHFFFAOYSA-N	2	0	413.562	2.743	50	0	biogenic	HFAARP
C[NH+]1CCC(N2CCN(Cc3nc(-c4ccccc4)cs3)C[C@H]2CCO)CC1	ZINC000104516453	569008817	/nfs/dbraw/zinc/00/88/17/569008817.db2.gz	XUKINPGAHZUJSA-HXUWFJFHSA-N	2	0	400.592	2.773	50	0		HFAARP
C[N@@H+]1CCCN(C(=O)c2nc3sccn3c2CN2CCC[C@H]2c2ccccn2)CC1	ZINC000244899932	569055184	/nfs/dbraw/zinc/05/51/84/569055184.db2.gz	ZTFAVPAVCBQPOL-SFHVURJKSA-N	2	0	424.574	2.906	50	0		HFAARP
C[NH+](C)CCN(C[C@H]1CCC[N@H+](Cc2ccccc2F)C1)C(=O)C1CCOCC1	ZINC000011874630	558292278	/nfs/dbraw/zinc/29/22/78/558292278.db2.gz	WXPFLWQTBYSCLW-IBGZPJMESA-N	2	0	405.558	2.855	50	0		HFAARP
CN1CC[NH+](CCC(=O)N2CC[C@]3(C2)CCC[N@H+](CCC2CCCCC2)C3)CC1	ZINC000020201702	558346082	/nfs/dbraw/zinc/34/60/82/558346082.db2.gz	QJJIOAMLTLQHFU-XMMPIXPASA-N	2	0	404.643	2.909	50	0		HFAARP
C[NH+](C)CCCN(CC1CC[NH+](C2Cc3ccccc3C2)CC1)C(=O)[C@@H]1CCCO1	ZINC000012302314	558372053	/nfs/dbraw/zinc/37/20/53/558372053.db2.gz	SREYZCDDUMNULR-DEOSSOPVSA-N	2	0	413.606	2.825	50	0		HFAARP
COc1ccc(C[NH2+]CCn2ccnc2)cc1OC[C@H](O)C[N@H+](C)Cc1ccccc1	ZINC000012317210	558380349	/nfs/dbraw/zinc/38/03/49/558380349.db2.gz	TUUZZQNHQLOXQX-JOCHJYFZSA-N	2	0	424.545	2.553	50	0		HFAARP
COCC1CC[NH+](Cc2ccc(OC)c(OC[C@H](O)C[NH+]3CCCCC3)c2)CC1	ZINC000012456159	558417351	/nfs/dbraw/zinc/41/73/51/558417351.db2.gz	NXJGUIAOAOIOBU-OAQYLSRUSA-N	2	0	406.567	2.779	50	0		HFAARP
CC[N@@H+]1CCC[C@@H]1CNC(=O)CCC1CC[NH+](Cc2cccn2-c2ncccn2)CC1	ZINC000012582838	558433125	/nfs/dbraw/zinc/43/31/25/558433125.db2.gz	HTHQTTGSZQJNSC-OAQYLSRUSA-N	2	0	424.593	2.860	50	0		HFAARP
COc1ccc(C[NH2+]CCc2cn[nH]c2)cc1OC[C@@H](O)C[N@H+](C)Cc1ccccc1	ZINC000012701784	558447903	/nfs/dbraw/zinc/44/79/03/558447903.db2.gz	RPXMKHMNWZDDIF-QFIPXVFZSA-N	2	0	424.545	2.622	50	0		HFAARP
Cc1nn(C)cc1C[NH2+]Cc1ccc(OC[C@@H](O)C[N@H+](C)Cc2ccccc2)cc1	ZINC000013596785	558547340	/nfs/dbraw/zinc/54/73/40/558547340.db2.gz	YBAVFJACUUJXRI-QHCPKHFHSA-N	2	0	408.546	2.890	50	0		HFAARP
COc1ccc(OC[C@@H](O)C[NH+]2CCC(O)CC2)c(C[NH2+]CCCC2CCCC2)c1	ZINC000015072317	558713508	/nfs/dbraw/zinc/71/35/08/558713508.db2.gz	QYIZTMWOIQZIGM-QFIPXVFZSA-N	2	0	420.594	2.952	50	0		HFAARP
C[NH+](C)CCCN(CCC[NH+](C)C)S(=O)(=O)c1cc(Cl)sc1Cl	ZINC000060561963	558913859	/nfs/dbraw/zinc/91/38/59/558913859.db2.gz	VTWVFRLDTRCZMB-UHFFFAOYSA-N	2	0	402.413	2.949	50	0		HFAARP
C[NH+]1CCC(N2CCC([N@@H+]3CCC[C@@H](C(=O)NCCc4ccccc4)C3)CC2)CC1	ZINC000082134507	559039981	/nfs/dbraw/zinc/03/99/81/559039981.db2.gz	DBVDSWFFNGOBHA-JOCHJYFZSA-N	2	0	412.622	2.616	50	0		HFAARP
CC[N@@H+]1CCC[C@@H]1CNC(=O)CCC1CC[NH+](Cc2cnc(SC)nc2)CC1	ZINC000011708935	559241500	/nfs/dbraw/zinc/24/15/00/559241500.db2.gz	OOPFEMHRNYWOEP-LJQANCHMSA-N	2	0	405.612	2.791	50	0		HFAARP
COc1cc(C[NH2+]Cc2cnn(C)c2)ccc1OC[C@H](O)C[NH+]1CCCCCCC1	ZINC000015078852	568749904	/nfs/dbraw/zinc/74/99/04/568749904.db2.gz	SPJHWWZAASFMCF-OAQYLSRUSA-N	2	0	416.566	2.724	50	0		HFAARP
CC[NH+](CC)CCc1ccc(NC(=O)NC[C@H](C(C)C)[NH+]2CCN(C)CC2)cc1	ZINC000170612074	569246413	/nfs/dbraw/zinc/24/64/13/569246413.db2.gz	RNBNBKPHLZYHDQ-JOCHJYFZSA-N	2	0	403.615	2.964	50	0		HFAARP
COCC[N@@H+]1CC[C@@H](CNC(=O)c2ccc(C[NH+]3CCc4ccccc4C3)cc2)C1	ZINC000670472543	571094499	/nfs/dbraw/zinc/09/44/99/571094499.db2.gz	NSHNKXDBBZQQOZ-NRFANRHFSA-N	2	0	407.558	2.943	50	0		HFAARP
CN(C[C@@H]1CCC[N@H+](CCc2ccc(Cl)cc2)C1)C(=O)CC[NH+]1CCN(C)CC1	ZINC000019836608	558292831	/nfs/dbraw/zinc/29/28/31/558292831.db2.gz	PNEGWEVADMJMFM-NRFANRHFSA-N	2	0	421.029	2.690	50	0		HFAARP
COc1ccc(C[NH2+]CC(C)(C)CO)cc1OC[C@H](O)C[N@H+](C)Cc1ccccc1	ZINC000011879588	558294236	/nfs/dbraw/zinc/29/42/36/558294236.db2.gz	SXBGUTOUCKLHNR-OAQYLSRUSA-N	2	0	416.562	2.675	50	0		HFAARP
COc1ccc(C[NH2+]CCn2ccnc2)cc1OC[C@@H](O)C[N@H+](C)Cc1ccccc1	ZINC000012317209	558380411	/nfs/dbraw/zinc/38/04/11/558380411.db2.gz	TUUZZQNHQLOXQX-QFIPXVFZSA-N	2	0	424.545	2.553	50	0		HFAARP
COc1ccc(C[NH2+]CCn2cccn2)cc1OC[C@H](O)C[N@H+](C)Cc1ccccc1	ZINC000012592693	558436325	/nfs/dbraw/zinc/43/63/25/558436325.db2.gz	VYUNRSJLKOMHLY-JOCHJYFZSA-N	2	0	424.545	2.553	50	0		HFAARP
COC(=O)C1CC[NH+](C[C@H](O)COc2ccc(C[NH2+]Cc3ccccc3)cc2)CC1	ZINC000012708760	558451086	/nfs/dbraw/zinc/45/10/86/558451086.db2.gz	YFVOYXBEGUSUKX-QFIPXVFZSA-N	2	0	412.530	2.601	50	0		HFAARP
Cc1cc(C)n(CCC[NH2+]Cc2ccccc2OC[C@H](O)C[NH+]2CCCCC2)n1	ZINC000012754530	558459585	/nfs/dbraw/zinc/45/95/85/558459585.db2.gz	ZGXCHTBEYONSIC-JOCHJYFZSA-N	2	0	400.567	2.905	50	0		HFAARP
COC(=O)C1CC[NH+](C[C@H](O)COc2ccc(C[NH2+]Cc3ccsc3)cc2)CC1	ZINC000015062691	558705249	/nfs/dbraw/zinc/70/52/49/558705249.db2.gz	SLKPUIUKKQWSPC-FQEVSTJZSA-N	2	0	418.559	2.663	50	0		HFAARP
Cc1cc(N2CCC3(CN(CCCN4CC[NH+](C(C)C)CC4)C(=O)O3)CC2)cc[nH+]1	ZINC000077453418	559005702	/nfs/dbraw/zinc/00/57/02/559005702.db2.gz	LBRRPRJKTKJSQA-UHFFFAOYSA-N	2	0	415.582	2.597	50	0		HFAARP
CN(CC[NH+](C)C)C(=O)[C@H]1CCC[N@@H+](C2CCN(c3nc4ccccc4o3)CC2)C1	ZINC000091391001	559071427	/nfs/dbraw/zinc/07/14/27/559071427.db2.gz	AVPYROJJJWRXJG-SFHVURJKSA-N	2	0	413.566	2.529	50	0		HFAARP
O=C(NC1CCOCC1)[C@H]1CCC[N@@H+](C2CC[NH+](C3Cc4ccccc4C3)CC2)C1	ZINC000092001363	559075019	/nfs/dbraw/zinc/07/50/19/559075019.db2.gz	XSVIMFFTUFXJNI-NRFANRHFSA-N	2	0	411.590	2.625	50	0		HFAARP
C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1)C1CN(C(=O)OC(C)(C)C)C1	ZINC000225509893	568644816	/nfs/dbraw/zinc/64/48/16/568644816.db2.gz	NNAPAUJHAUOOLJ-QGZVFWFLSA-N	2	0	403.567	2.988	50	0		HFAARP
C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1)C1CN(C(=O)OC(C)(C)C)C1	ZINC000225509919	568644906	/nfs/dbraw/zinc/64/49/06/568644906.db2.gz	NNAPAUJHAUOOLJ-KRWDZBQOSA-N	2	0	403.567	2.988	50	0		HFAARP
CC(C)(C[NH2+]Cc1cccc(OC[C@@H](O)C[NH+]2CCCCCC2)c1)N1CCOCC1	ZINC000019721038	569429021	/nfs/dbraw/zinc/42/90/21/569429021.db2.gz	ANBSTSPMEFKSHL-QFIPXVFZSA-N	2	0	419.610	2.503	50	0		HFAARP