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(NCc1ccc(C[NH+]2CCCC2)cc1)[C@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1	ZINC000038831107	558816493	/nfs/dbraw/zinc/81/64/93/558816493.db2.gz	IGBUOBCYHASXRR-QHCPKHFHSA-N	2	0	409.549	3.950	40	0		HHABRP
COc1ccc([C@H]2C[N@H+](Cc3ccccc3)[C@@H]3CCN(C(=O)CCCC[NH3+])C[C@@H]32)cc1	ZINC000257313060	559282950	/nfs/dbraw/zinc/28/29/50/559282950.db2.gz	UQVNAMZJSXDBDH-UBFVSLLYSA-N	2	0	421.585	3.641	40	0		HHABRP
C[C@H]1CCC[NH+](CCCc2nnc(CCC[N@H+]3CCC[C@H](C)C3)n2-n2cccc2)C1	ZINC000260574298	560869361	/nfs/dbraw/zinc/86/93/61/560869361.db2.gz	ROZSEDAVSKYEFJ-VXKWHMMOSA-N	2	0	412.626	3.720	40	0		HHABRP
Cc1cnc(Nc2cc(CC3CC[NH+](CC4CC[NH2+]CC4)CC3)nc(C)n2)s1	ZINC000257305337	568806173	/nfs/dbraw/zinc/80/61/73/568806173.db2.gz	SPMRAYGSRKXRQH-UHFFFAOYSA-N	2	0	400.596	3.548	40	0		HHABRP
CC(C)C[NH2+]CC(=O)Nc1ccc(-c2ccc(NC(=O)C[NH2+]CC(C)C)cc2)cc1	ZINC000004792051	557598131	/nfs/dbraw/zinc/59/81/31/557598131.db2.gz	BZRORFDDFSIFOO-UHFFFAOYSA-N	2	0	410.562	3.722	40	0		HHABRP
Cc1cnccc1C[NH+]1CCC([C@H]2C[C@H](C(=O)Nc3ccc(F)cc3)C[N@H+]2C)CC1	ZINC000019239502	558858015	/nfs/dbraw/zinc/85/80/15/558858015.db2.gz	JYFAVJMKALYGLJ-NZQKXSOJSA-N	2	0	410.537	3.700	40	0		HHABRP
O[C@]1(COc2ccccc2)CCC[N@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C1	ZINC000585272280	559118072	/nfs/dbraw/zinc/11/80/72/559118072.db2.gz	MBMTZTSIIBVNFL-RUZDIDTESA-N	2	0	410.558	3.567	40	0		HHABRP
C[N@@H+](Cc1cccc(OCC[NH+]2CCCCC2)c1)C[C@@H](O)Cn1ccc2ccccc21	ZINC000585274377	559118662	/nfs/dbraw/zinc/11/86/62/559118662.db2.gz	VSAYJCOTSUQKNL-XMMPIXPASA-N	2	0	421.585	3.999	40	0		HHABRP
c1coc(CN2CC3(C[NH+](CC4CC4)C3)[C@]3(C2)CCC[N@H+](Cc2cccnc2)CC3)c1	ZINC000306130787	568893112	/nfs/dbraw/zinc/89/31/12/568893112.db2.gz	JPIQIGHNGFUKIC-RUZDIDTESA-N	2	0	420.601	3.875	40	0		HHABRP
Cc1ccc(OC[C@]2(O)CCC[N@@H+](Cc3ccc(OCC[NH+](C)C)cc3)CC2)cc1	ZINC000585270976	559116609	/nfs/dbraw/zinc/11/66/09/559116609.db2.gz	DWDHDHWKKOXDTI-VWLOTQADSA-N	2	0	412.574	3.731	40	0		HHABRP
CC(C)C[C@@H]1[NH2+][C@H](C(=O)NC2CCC2)Cc2cn(Cc3nccn3C)c3cccc1c23	ZINC000049171753	291248033	/nfs/dbraw/zinc/24/80/33/291248033.db2.gz	AOTZVXQUVHDXSO-SFTDATJTSA-N	2	0	419.573	3.693	40	0	biogenic,in-vitro	HHABRP
CC(C)C[C@@H]1[NH2+][C@H](C(=O)N2CCCC2)Cc2cn(Cc3nccn3C)c3cccc1c23	ZINC000049172000	291248067	/nfs/dbraw/zinc/24/80/67/291248067.db2.gz	UMHLXHOGZOPKOF-SFTDATJTSA-N	2	0	419.573	3.647	40	0	biogenic,in-vitro	HHABRP
O=C(NCc1cccc(C[NH+]2CCCC2)c1)C1CC[NH+](Cc2ccccc2F)CC1	ZINC000038831417	558816683	/nfs/dbraw/zinc/81/66/83/558816683.db2.gz	YGDJQDNZSNJHGQ-UHFFFAOYSA-N	2	0	409.549	3.950	40	0		HHABRP
COc1ccc(NC(=O)[C@H]2C[C@@H](C3CC[NH+](Cc4ccc(C)o4)CC3)[N@H+](C)C2)cc1	ZINC000019216577	558850429	/nfs/dbraw/zinc/85/04/29/558850429.db2.gz	RTNJXWGHXBAIJY-CVDCTZTESA-N	2	0	411.546	3.768	40	0		HHABRP
CC[N@@H+]1C[C@H]2C3(CC[C@@]2(C(=O)N2CCCC2)C1)CC[NH+](Cc1cccs1)CC3	ZINC000096036314	559089992	/nfs/dbraw/zinc/08/99/92/559089992.db2.gz	DMVRLSMLJDGJMK-NZQKXSOJSA-N	2	0	401.620	3.685	40	0		HHABRP
O=C(NCc1cccc(C[NH+]2CCCC2)c1)C1CC[NH+](Cc2ccc(F)cc2)CC1	ZINC000038831437	558816675	/nfs/dbraw/zinc/81/66/75/558816675.db2.gz	QNEUAPRLZYKDEE-UHFFFAOYSA-N	2	0	409.549	3.950	40	0		HHABRP
Cc1ccc(OCC2(O)CC[NH+](Cc3ccc(OCC[NH+]4CCCC4)cc3)CC2)cc1	ZINC000585271044	559116628	/nfs/dbraw/zinc/11/66/28/559116628.db2.gz	FWWBKFKKBLJIHN-UHFFFAOYSA-N	2	0	424.585	3.876	40	0		HHABRP
COc1cc(C[N@H+](C)C[C@H](O)c2ccccc2)ccc1OCC[NH+]1CCC(C)CC1	ZINC000585271033	559116651	/nfs/dbraw/zinc/11/66/51/559116651.db2.gz	DFIYZJSMGMBCRC-QHCPKHFHSA-N	2	0	412.574	3.971	40	0		HHABRP
Cc1ccc(C)n1-n1c(CN2C[C@H](C)C[C@@H](C)C2)nnc1CN1C[C@H](C)C[C@H](C)C1	ZINC000225151698	568618223	/nfs/dbraw/zinc/61/82/23/568618223.db2.gz	MDIBVYMKJJKNBR-WTGUMLROSA-N	2	0	412.626	3.964	40	0		HHABRP
Brc1cccc[n+]1Cc1ccc(C[n+]2ccccc2Br)cc1	ZINC000001677064	557280152	/nfs/dbraw/zinc/28/01/52/557280152.db2.gz	IPCYTOPKGFBHNX-UHFFFAOYSA-N	2	0	420.148	3.883	40	0		HHABRP
O=C(NCc1ccc(C[NH+]2CCCC2)cc1)C1CC[NH+](Cc2ccc(F)cc2)CC1	ZINC000038831428	558816735	/nfs/dbraw/zinc/81/67/35/558816735.db2.gz	CNXLIJWZUFLHPU-UHFFFAOYSA-N	2	0	409.549	3.950	40	0		HHABRP
Cc1ccc(C)n1-n1c(CN2C[C@H](C)C[C@H](C)C2)nnc1CN1C[C@H](C)C[C@H](C)C1	ZINC000225151661	568618202	/nfs/dbraw/zinc/61/82/02/568618202.db2.gz	MDIBVYMKJJKNBR-FGYAAKKASA-N	2	0	412.626	3.964	40	0		HHABRP
Nc1nc2c(c(N)n1)C[C@]1(CCC[N@H+](Cc3cccc(Oc4ccccc4)c3)CC1)O2	ZINC000257219383	568781860	/nfs/dbraw/zinc/78/18/60/568781860.db2.gz	DGOWCOKLDXQEQJ-XMMPIXPASA-N	2	0	417.513	3.793	40	0		HHABRP
c1coc(CN2CC3(C[NH+](CC4CC4)C3)[C@@]3(C2)CCC[N@H+](Cc2cccnc2)CC3)c1	ZINC000306130788	568893210	/nfs/dbraw/zinc/89/32/10/568893210.db2.gz	JPIQIGHNGFUKIC-VWLOTQADSA-N	2	0	420.601	3.875	40	0		HHABRP
CC[N@@H+]1C[C@H]2C3(CC[C@@]2(C(=O)N2CCCC2)C1)CC[NH+](Cc1ccc(C)s1)CC3	ZINC000096036317	559089963	/nfs/dbraw/zinc/08/99/63/559089963.db2.gz	PQHZNSPYIQNANF-XUZZJYLKSA-N	2	0	415.647	3.993	40	0		HHABRP
C[C@]12C[C@@H](c3ccccc3)N(C(=O)c3cccc(OCC[NH3+])c3)[C@H]1CCCCC[NH2+]2	ZINC000257232318	568785301	/nfs/dbraw/zinc/78/53/01/568785301.db2.gz	GKIYLPMGAORYRB-LSQMVHIFSA-N	2	0	407.558	3.902	40	0		HHABRP
CC(C)C[NH+]1CCC2(CCC[N@H+](Cc3cccs3)[C@H]2CNC(=O)N(C)C)CC1	ZINC000306133293	568895406	/nfs/dbraw/zinc/89/54/06/568895406.db2.gz	MHSYEFDQPGIDJI-FQEVSTJZSA-N	2	0	406.640	3.722	40	0		HHABRP
O=C(NCc1ccc(C[NH+]2CCCC2)cc1)[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1	ZINC000038831106	558816513	/nfs/dbraw/zinc/81/65/13/558816513.db2.gz	IGBUOBCYHASXRR-HSZRJFAPSA-N	2	0	409.549	3.950	40	0		HHABRP
Cc1ccc(C[NH+]2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)o1	ZINC000096052868	559092638	/nfs/dbraw/zinc/09/26/38/559092638.db2.gz	BORLXMKKMUNUPZ-HXUWFJFHSA-N	2	0	409.574	3.677	40	0		HHABRP
COc1ccc(NC(=O)[C@H]2C[C@@H](C3CC[NH+](Cc4ccsc4)CC3)[N@H+](C)C2)cc1	ZINC000019587757	569345753	/nfs/dbraw/zinc/34/57/53/569345753.db2.gz	IYRPUHSASFTWDW-UGKGYDQZSA-N	2	0	413.587	3.928	40	0		HHABRP
C[NH+](C)CCOc1ccc(C[N@@H+]2CCC[C@@](O)(COc3ccccc3F)CC2)cc1	ZINC000585270267	559116336	/nfs/dbraw/zinc/11/63/36/559116336.db2.gz	AYXLZOMWOLUFPK-DEOSSOPVSA-N	2	0	416.537	3.562	40	0		HHABRP
O=C(NCc1ccccc1C[NH+]1CCCC1)[C@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1	ZINC000224799561	568597223	/nfs/dbraw/zinc/59/72/23/568597223.db2.gz	PJUOMQQXRPGQFS-QHCPKHFHSA-N	2	0	409.549	3.950	40	0		HHABRP
Nc1nc2c(c(N)n1)C[C@@]1(CCC[N@H+](Cc3cccc(Oc4ccccc4)c3)CC1)O2	ZINC000257219382	568781790	/nfs/dbraw/zinc/78/17/90/568781790.db2.gz	DGOWCOKLDXQEQJ-DEOSSOPVSA-N	2	0	417.513	3.793	40	0		HHABRP
O=C(NCc1cccc(C[NH+]2CCCC2)c1)[C@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1	ZINC000038831123	558816528	/nfs/dbraw/zinc/81/65/28/558816528.db2.gz	HHSPCHCUKJXFGM-QHCPKHFHSA-N	2	0	409.549	3.950	40	0		HHABRP
COc1ccc(NC(=O)[C@@H]2C[C@H](C3CC[NH+](Cc4ccc(C)o4)CC3)[N@H+](C)C2)cc1	ZINC000019216579	558850405	/nfs/dbraw/zinc/85/04/05/558850405.db2.gz	RTNJXWGHXBAIJY-AUSIDOKSSA-N	2	0	411.546	3.768	40	0		HHABRP
Cc1ccc(C)n1-n1c(CN2C[C@H](C)C[C@H](C)C2)nnc1CN1C[C@@H](C)C[C@H](C)C1	ZINC000225151737	568618288	/nfs/dbraw/zinc/61/82/88/568618288.db2.gz	MDIBVYMKJJKNBR-LWYYNNOASA-N	2	0	412.626	3.964	40	0		HHABRP
CN(C)c1cc([C@@H]2CCCN2C(=O)C2(Cc3ccccc3)CC[NH+](C)CC2)ccn1	ZINC000257237954	568786942	/nfs/dbraw/zinc/78/69/42/568786942.db2.gz	HIYOIHCFANSBGF-QFIPXVFZSA-N	2	0	406.574	3.766	40	0		HHABRP
C[C@]12C[C@@H](c3ccccc3)N(C(=O)c3ccc(OCC[NH3+])cc3)[C@H]1CCCCC[NH2+]2	ZINC000257253162	568791213	/nfs/dbraw/zinc/79/12/13/568791213.db2.gz	JXUJGJCITHCUJN-LSQMVHIFSA-N	2	0	407.558	3.902	40	0		HHABRP
Cn1c(C[NH+]2CCCCCC2)cc(=O)c(O)c1C[N@@H+]1C[C@@]2(C)C[C@@H]1CC(C)(C)C2	ZINC000079188750	558824514	/nfs/dbraw/zinc/82/45/14/558824514.db2.gz	VWBVBJVQKCKFER-CYFREDJKSA-N	2	0	401.595	3.868	40	0		HHABRP
O[C@@]1(COc2ccccc2)CCC[N@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C1	ZINC000585272283	559118110	/nfs/dbraw/zinc/11/81/10/559118110.db2.gz	MBMTZTSIIBVNFL-VWLOTQADSA-N	2	0	410.558	3.567	40	0		HHABRP
C[N@@H+](Cc1cccc(OCC[NH+]2CCCCC2)c1)C[C@H](O)COC1CCCCC1	ZINC000585272678	559118205	/nfs/dbraw/zinc/11/82/05/559118205.db2.gz	LVVZCSLAFZUBAL-QFIPXVFZSA-N	2	0	404.595	3.693	40	0		HHABRP
COc1ccc(NC(=O)[C@@H]2C[C@@H](C3CC[NH+](Cc4ccsc4)CC3)[N@H+](C)C2)cc1	ZINC000019587755	569345834	/nfs/dbraw/zinc/34/58/34/569345834.db2.gz	IYRPUHSASFTWDW-KNQAVFIVSA-N	2	0	413.587	3.928	40	0		HHABRP
CC(C)C[C@@H]1[NH2+][C@H](C(=O)NCC2CC2)Cc2cn(Cc3nccn3C)c3cccc1c23	ZINC000049171750	291248054	/nfs/dbraw/zinc/24/80/54/291248054.db2.gz	IXPJJNOSJIREOK-SFTDATJTSA-N	2	0	419.573	3.551	40	0	biogenic,in-vitro	HHABRP
Cc1cnccc1C[NH+]1CCC([C@@H]2C[C@H](C(=O)Nc3ccc(F)cc3)C[N@H+]2C)CC1	ZINC000036734295	558801196	/nfs/dbraw/zinc/80/11/96/558801196.db2.gz	JYFAVJMKALYGLJ-REWPJTCUSA-N	2	0	410.537	3.700	40	0		HHABRP
O=C(NCc1ccccc1C[NH+]1CCCC1)C1CC[NH+](Cc2ccc(F)cc2)CC1	ZINC000224790789	568596871	/nfs/dbraw/zinc/59/68/71/568596871.db2.gz	FGHHCZJPDSENFN-UHFFFAOYSA-N	2	0	409.549	3.950	40	0		HHABRP
Brc1cccc[n+]1Cc1cccc(C[n+]2ccccc2Br)c1	ZINC000001702572	557281650	/nfs/dbraw/zinc/28/16/50/557281650.db2.gz	PISSPFJYGYIPBL-UHFFFAOYSA-N	2	0	420.148	3.883	40	0		HHABRP
Cc1cc(Nc2ccccn2)cc(C2CCN(C(=O)C[NH+]3CCC(C)CC3)CC2)[nH+]1	ZINC000257267762	568794938	/nfs/dbraw/zinc/79/49/38/568794938.db2.gz	MIQUETRVFFUKII-UHFFFAOYSA-N	2	0	407.562	3.967	40	0		HHABRP
Cc1ccc(C[NH+]2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)o1	ZINC000096052867	559092657	/nfs/dbraw/zinc/09/26/57/559092657.db2.gz	BORLXMKKMUNUPZ-FQEVSTJZSA-N	2	0	409.574	3.677	40	0		HHABRP
C[NH+](C)CCOc1ccc(C(=O)N2C[C@@H](c3ccccc3)[C@@H]3[NH2+]CCCCC[C@@H]32)cc1	ZINC000257242681	559284268	/nfs/dbraw/zinc/28/42/68/559284268.db2.gz	IDRYFJRVTSDXCU-SDHOMARFSA-N	2	0	421.585	3.767	40	0		HHABRP
Cc1ccc(C)n1-n1c(CCC[NH+]2CCCCC2)nnc1CCC[NH+]1CCCCC1	ZINC000225152378	568618258	/nfs/dbraw/zinc/61/82/58/568618258.db2.gz	OCMYXADNXVQENZ-UHFFFAOYSA-N	2	0	412.626	3.845	40	0		HHABRP
C[NH2+]CC(=O)N1Cc2ccccc2OC2(CCC([N@H+](C)CC3CCCCC3)CC2)C1	ZINC000257311032	568807528	/nfs/dbraw/zinc/80/75/28/568807528.db2.gz	UHQGLLSJDWGVSK-UHFFFAOYSA-N	2	0	413.606	3.821	40	0		HHABRP
C[NH+](C)CCCOC(=O)[C@H]1Cc2ccccc2N(CCC[NH+](C)C)c2ccccc21	ZINC000005336353	557645423	/nfs/dbraw/zinc/64/54/23/557645423.db2.gz	SMFYHYHUXFKKTM-QFIPXVFZSA-N	2	0	409.574	3.911	40	0		HHABRP
C[NH+](C)CCCOC(=O)[C@@H]1Cc2ccccc2N(CCC[NH+](C)C)c2ccccc21	ZINC000005336349	557645438	/nfs/dbraw/zinc/64/54/38/557645438.db2.gz	SMFYHYHUXFKKTM-JOCHJYFZSA-N	2	0	409.574	3.911	40	0		HHABRP
C[NH+](C)CCN(C(=O)[C@H](Cc1ccc(F)cc1)c1ccccc1)C1CC[NH+](C)CC1	ZINC000012360979	558387112	/nfs/dbraw/zinc/38/71/12/558387112.db2.gz	ITKIEUUYUSEJTH-XMMPIXPASA-N	2	0	411.565	3.636	40	0		HHABRP
Cc1ccc([C@@]2(O)CC[C@@H]3C[N@H+](CC4CC[NH+](Cc5ccccc5)CC4)C[C@@H]32)nc1	ZINC000019216104	558850076	/nfs/dbraw/zinc/85/00/76/558850076.db2.gz	BYPUHHJEPJUCMW-RMTZWNOUSA-N	2	0	405.586	3.832	40	0		HHABRP
Cc1ccc(C[NH+]2CCC3(CC[C@@]4(C(=O)N5CCCC5)C[N@H+](C)C[C@@H]34)CC2)s1	ZINC000096036302	559089942	/nfs/dbraw/zinc/08/99/42/559089942.db2.gz	LDJREKAMCCKIOV-NZQKXSOJSA-N	2	0	401.620	3.603	40	0		HHABRP
C[NH+](C)CCNC(=O)C[C@@H]1CC2(CC[NH+](Cc3cccs3)CC2)c2ccccc21	ZINC000096052859	559092625	/nfs/dbraw/zinc/09/26/25/559092625.db2.gz	KWIMWRQWGYWBIU-LJQANCHMSA-N	2	0	411.615	3.837	40	0		HHABRP
Cc1ccc(OCC2(O)CC[NH+](Cc3ccc(OCC[NH+](C)C)cc3)CC2)c(C)c1	ZINC000585272755	559118211	/nfs/dbraw/zinc/11/82/11/559118211.db2.gz	OJIRJEURUGMLDZ-UHFFFAOYSA-N	2	0	412.574	3.650	40	0		HHABRP
CC(C)[N@@H+]1CCOC[C@@]2(CC[C@H](C[NH2+]Cc3cccc(-c4cccs4)n3)O2)C1	ZINC000306143800	568905048	/nfs/dbraw/zinc/90/50/48/568905048.db2.gz	YMZWKSKPOPEENH-DENIHFKCSA-N	2	0	401.576	3.558	40	0		HHABRP
O[C@@]1(COc2ccccc2)CCC[N@H+](Cc2cccc(OCC[NH+]3CCCC3)c2)C1	ZINC000585279036	559119335	/nfs/dbraw/zinc/11/93/35/559119335.db2.gz	BYSQSCDQCIAXDQ-VWLOTQADSA-N	2	0	410.558	3.567	40	0		HHABRP
CC(C)n1c(SCC[NH+]2CCCC2)nnc1[C@@H]1CCC[N@H+](Cc2ccncc2)C1	ZINC000026441151	568549531	/nfs/dbraw/zinc/54/95/31/568549531.db2.gz	UCIWSJYQLBTJRC-HXUWFJFHSA-N	2	0	414.623	3.822	40	0		HHABRP
CC(C)C[NH2+]CC(=O)Nc1ccc(Cc2ccc(NC(=O)C[NH2+]CC(C)C)cc2)cc1	ZINC000004792397	557598144	/nfs/dbraw/zinc/59/81/44/557598144.db2.gz	HEFWPXLTMDRBEY-UHFFFAOYSA-N	2	0	424.589	3.646	40	0		HHABRP
C[N@@H+](Cc1cccc(OCC[NH+]2CCCCC2)c1)C[C@@H](O)COC1CCCCC1	ZINC000585272669	559118039	/nfs/dbraw/zinc/11/80/39/559118039.db2.gz	LVVZCSLAFZUBAL-JOCHJYFZSA-N	2	0	404.595	3.693	40	0		HHABRP
C[NH+]1CCC(NC(=O)c2ccc(C[NH+]3CCC(Cc4ccccc4)CC3)cc2)CC1	ZINC000113958289	559183602	/nfs/dbraw/zinc/18/36/02/559183602.db2.gz	OEVZNLLSQDYJMG-UHFFFAOYSA-N	2	0	405.586	3.965	40	0		HHABRP
O=C(NCc1ccccc1C[NH+]1CCCC1)[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1	ZINC000224799510	568597217	/nfs/dbraw/zinc/59/72/17/568597217.db2.gz	PJUOMQQXRPGQFS-HSZRJFAPSA-N	2	0	409.549	3.950	40	0		HHABRP
Cc1cc(Nc2cnccn2)cc(C2CC[NH+](CC(=O)N(C)C3CCCCC3)CC2)[nH+]1	ZINC000257215279	568780597	/nfs/dbraw/zinc/78/05/97/568780597.db2.gz	CPLVEFJDYKEDSD-UHFFFAOYSA-N	2	0	422.577	3.894	40	0		HHABRP
Cc1cc(Nc2cnccn2)cc(C2CCN(C(=O)C3CC[NH+](C(C)C)CC3)CC2)[nH+]1	ZINC000257239743	568787529	/nfs/dbraw/zinc/78/75/29/568787529.db2.gz	HQPSFJMZEKMMPM-UHFFFAOYSA-N	2	0	422.577	3.750	40	0		HHABRP
COCCc1ncc(C[NH+]2CCC(c3cc(Nc4ccccn4)cc(C)[nH+]3)CC2)cn1	ZINC000257297935	568803841	/nfs/dbraw/zinc/80/38/41/568803841.db2.gz	RJKVGXRKBLCSPN-UHFFFAOYSA-N	2	0	418.545	3.887	40	0		HHABRP
[NH3+]CCCOc1ccc(C(=O)N2[C@@H](Cc3ccccc3)C[C@H]3[NH2+]CCCCC[C@@H]32)cc1	ZINC000585261648	559108895	/nfs/dbraw/zinc/10/88/95/559108895.db2.gz	KWJUJYYJYUWMPV-CAOCKLPOSA-N	2	0	421.585	3.772	40	0		HHABRP
COc1cc(C[N@H+](C)C[C@@H](O)c2ccccc2)ccc1OCC[NH+]1CCC(C)CC1	ZINC000585271030	559116632	/nfs/dbraw/zinc/11/66/32/559116632.db2.gz	DFIYZJSMGMBCRC-HSZRJFAPSA-N	2	0	412.574	3.971	40	0		HHABRP
C[N@@H+](Cc1cccc(OCC[NH+]2CCCCC2)c1)C[C@H](O)Cn1ccc2ccccc21	ZINC000585274372	559118692	/nfs/dbraw/zinc/11/86/92/559118692.db2.gz	VSAYJCOTSUQKNL-DEOSSOPVSA-N	2	0	421.585	3.999	40	0		HHABRP
CC1CC[NH+](CCCc2nnc(CCC[NH+]3CCC(C)CC3)n2-n2cccc2)CC1	ZINC000225152549	568618336	/nfs/dbraw/zinc/61/83/36/568618336.db2.gz	GYCIRWVPZMGUHB-UHFFFAOYSA-N	2	0	412.626	3.720	40	0		HHABRP
CC[NH+](CC)C[C@@H](O)CNc1ncnc(N)c1C(=C(C)C)c1ccc(Cl)cc1	ZINC000005422266	557652897	/nfs/dbraw/zinc/65/28/97/557652897.db2.gz	OZCYQQPQEXYTSQ-KRWDZBQOSA-N	2	0	403.958	3.669	40	0		HHABRP
O=C(NCc1ccc(C[NH+]2CCCC2)cc1)C1CC[NH+](Cc2ccccc2F)CC1	ZINC000038831408	558816725	/nfs/dbraw/zinc/81/67/25/558816725.db2.gz	BIYOOQXPBNAFJE-UHFFFAOYSA-N	2	0	409.549	3.950	40	0		HHABRP
Cc1cnccc1C[NH+]1CCC([C@H]2C[C@@H](C(=O)Nc3ccc(F)cc3)C[N@H+]2C)CC1	ZINC000019239503	558858056	/nfs/dbraw/zinc/85/80/56/558858056.db2.gz	JYFAVJMKALYGLJ-NFBKMPQASA-N	2	0	410.537	3.700	40	0		HHABRP
Cc1ccc(OC[C@@]2(O)CCC[N@@H+](Cc3ccc(OCC[NH+](C)C)cc3)CC2)cc1	ZINC000585270960	559116435	/nfs/dbraw/zinc/11/64/35/559116435.db2.gz	DWDHDHWKKOXDTI-RUZDIDTESA-N	2	0	412.574	3.731	40	0		HHABRP
CC(C)n1c(SCC[NH+]2CCCC2)nnc1[C@H]1CCC[N@H+](Cc2ccncc2)C1	ZINC000026441157	568549500	/nfs/dbraw/zinc/54/95/00/568549500.db2.gz	UCIWSJYQLBTJRC-FQEVSTJZSA-N	2	0	414.623	3.822	40	0		HHABRP
Cc1cnccc1C[NH+]1CCC([C@@H]2C[C@@H](C(=O)Nc3ccc(F)cc3)C[N@H+]2C)CC1	ZINC000036734297	558801163	/nfs/dbraw/zinc/80/11/63/558801163.db2.gz	JYFAVJMKALYGLJ-OFNKIYASSA-N	2	0	410.537	3.700	40	0		HHABRP
C[NH+](C)CCNC(=O)C[C@H]1CC2(CC[NH+](Cc3cccs3)CC2)c2ccccc21	ZINC000096052860	559092649	/nfs/dbraw/zinc/09/26/49/559092649.db2.gz	KWIMWRQWGYWBIU-IBGZPJMESA-N	2	0	411.615	3.837	40	0		HHABRP
C[C@@H]1CCC[NH+](CCCc2nnc(CCC[N@H+]3CCC[C@H](C)C3)n2-n2cccc2)C1	ZINC000260574292	560869355	/nfs/dbraw/zinc/86/93/55/560869355.db2.gz	ROZSEDAVSKYEFJ-SZPZYZBQSA-N	2	0	412.626	3.720	40	0		HHABRP
[NH3+]CCCOc1ccc(C(=O)N2C[C@@H](c3ccccc3)[C@@H]3[NH2+]CCCCC[C@@H]32)cc1	ZINC000257268714	568795139	/nfs/dbraw/zinc/79/51/39/568795139.db2.gz	MMWHBIWPGFCEAL-HJOGWXRNSA-N	2	0	407.558	3.555	40	0		HHABRP
CC[NH+](CC)CCOc1cccc(OCC[NH+](CC)CC)c1OCC[NH+](CC)CC	ZINC000005650070	569071998	/nfs/dbraw/zinc/07/19/98/569071998.db2.gz	ICLWTJIMXVISSR-UHFFFAOYSA-N	3	0	423.642	3.848	40	0	world	HHABRP
Brc1cccc[n+]1Cc1ccccc1C[n+]1ccccc1Br	ZINC000001702571	557281691	/nfs/dbraw/zinc/28/16/91/557281691.db2.gz	SDIDETQWVGEPGE-UHFFFAOYSA-N	2	0	420.148	3.883	40	0		HHABRP
COc1ccc(NC(=O)[C@@H]2C[C@H](C3CC[NH+](Cc4ccsc4)CC3)[N@H+](C)C2)cc1	ZINC000019587759	558940152	/nfs/dbraw/zinc/94/01/52/558940152.db2.gz	IYRPUHSASFTWDW-DENIHFKCSA-N	2	0	413.587	3.928	40	0		HHABRP
CC[N@@H+]1C[C@H]2C3(CC[C@@]2(C(=O)N2CCCC2)C1)CC[NH+](Cc1ccc(F)cc1)CC3	ZINC000096036318	559090029	/nfs/dbraw/zinc/09/00/29/559090029.db2.gz	YKEAPKUGPRIKNR-WIOPSUGQSA-N	2	0	413.581	3.762	40	0		HHABRP
C[NH+](C)CCOc1ccc(C[N@@H+]2CCC[C@](O)(COc3ccccc3F)CC2)cc1	ZINC000585270270	559116293	/nfs/dbraw/zinc/11/62/93/559116293.db2.gz	AYXLZOMWOLUFPK-XMMPIXPASA-N	2	0	416.537	3.562	40	0		HHABRP
C[NH+](C)CCN(C(=O)[C@@H](Cc1ccc(F)cc1)c1ccccc1)C1CC[NH+](C)CC1	ZINC000012360978	558387082	/nfs/dbraw/zinc/38/70/82/558387082.db2.gz	ITKIEUUYUSEJTH-DEOSSOPVSA-N	2	0	411.565	3.636	40	0		HHABRP
COc1ccc(NC(=O)[C@H]2C[C@H](C3CC[NH+](Cc4ccsc4)CC3)[N@H+](C)C2)cc1	ZINC000019587761	558940162	/nfs/dbraw/zinc/94/01/62/558940162.db2.gz	IYRPUHSASFTWDW-SIKLNZKXSA-N	2	0	413.587	3.928	40	0		HHABRP
CC[N@@H+]1C[C@H]2C3(CC[C@@]2(C(=O)N2CCCC2)C1)CC[NH+](Cc1ccsc1)CC3	ZINC000096036315	559090006	/nfs/dbraw/zinc/09/00/06/559090006.db2.gz	XLQDZEVIHZDOSR-NZQKXSOJSA-N	2	0	401.620	3.685	40	0		HHABRP
C[C@@H]1CCC[NH+](CCCc2nnc(CCC[N@H+]3CCC[C@@H](C)C3)n2-n2cccc2)C1	ZINC000225152662	568618370	/nfs/dbraw/zinc/61/83/70/568618370.db2.gz	ROZSEDAVSKYEFJ-FGZHOGPDSA-N	2	0	412.626	3.720	40	0		HHABRP
Cc1cc(Nc2ncccn2)cc(C2CC[NH+](CC(=O)N(C)C3CCCCC3)CC2)[nH+]1	ZINC000257316739	568809161	/nfs/dbraw/zinc/80/91/61/568809161.db2.gz	VGTVXUSPXPCGBO-UHFFFAOYSA-N	2	0	422.577	3.894	40	0		HHABRP
CC(C)C[NH+]1CCC2(CCC[N@H+](Cc3cccs3)[C@@H]2CNC(=O)N(C)C)CC1	ZINC000306133294	568895437	/nfs/dbraw/zinc/89/54/37/568895437.db2.gz	MHSYEFDQPGIDJI-HXUWFJFHSA-N	2	0	406.640	3.722	40	0		HHABRP
Cn1c(C[NH+]2CCCCCC2)cc(=O)c(O)c1C[N@@H+]1C[C@]2(C)C[C@H]1CC(C)(C)C2	ZINC000079188753	558824585	/nfs/dbraw/zinc/82/45/85/558824585.db2.gz	VWBVBJVQKCKFER-NTKDMRAZSA-N	2	0	401.595	3.868	40	0		HHABRP
COc1ccc(NC(=O)[C@@H]2C[C@@H](C3CC[NH+](Cc4ccc(C)o4)CC3)[N@H+](C)C2)cc1	ZINC000019216575	558850397	/nfs/dbraw/zinc/85/03/97/558850397.db2.gz	RTNJXWGHXBAIJY-XXBNENTESA-N	2	0	411.546	3.768	40	0		HHABRP
COc1ccc(NC(=O)[C@H]2C[C@H](C3CC[NH+](Cc4ccc(C)o4)CC3)[N@H+](C)C2)cc1	ZINC000019216581	558850464	/nfs/dbraw/zinc/85/04/64/558850464.db2.gz	RTNJXWGHXBAIJY-WMZHIEFXSA-N	2	0	411.546	3.768	40	0		HHABRP
CC[NH+](CC)Cc1cc(C[NH+]2CCC(O)(c3cccnc3F)CC2)ccc1OC	ZINC000019526444	558907743	/nfs/dbraw/zinc/90/77/43/558907743.db2.gz	BXVGPSSUSGVFEA-UHFFFAOYSA-N	2	0	401.526	3.555	40	0		HHABRP
O[C@]1(COc2ccccc2)CCC[N@H+](Cc2cccc(OCC[NH+]3CCCC3)c2)C1	ZINC000585279034	559119305	/nfs/dbraw/zinc/11/93/05/559119305.db2.gz	BYSQSCDQCIAXDQ-RUZDIDTESA-N	2	0	410.558	3.567	40	0		HHABRP
CC1CC[NH+](Cc2ccc(C(=O)Nc3ccc(N4CC[NH+](C)CC4)cc3)cc2)CC1	ZINC000113947586	559182680	/nfs/dbraw/zinc/18/26/80/559182680.db2.gz	JECYOFYYZVKIIY-UHFFFAOYSA-N	2	0	406.574	3.923	40	0		HHABRP
O=C(NCc1ccccc1C[NH+]1CCCC1)C1CC[NH+](Cc2ccccc2F)CC1	ZINC000224790722	568596858	/nfs/dbraw/zinc/59/68/58/568596858.db2.gz	LBMAFXFQLZUCHL-UHFFFAOYSA-N	2	0	409.549	3.950	40	0		HHABRP
CC(C)C[C@@H]1[NH2+][C@H](C(=O)NC(C)C)Cc2cn(Cc3nccn3C)c3cccc1c23	ZINC000049171765	291248088	/nfs/dbraw/zinc/24/80/88/291248088.db2.gz	CNHBYSCKPCQAJZ-PMACEKPBSA-N	2	0	407.562	3.549	40	0	biogenic,in-vitro	HHABRP
O=C(NCc1cccc(C[NH+]2CCCC2)c1)[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1	ZINC000038831122	558816500	/nfs/dbraw/zinc/81/65/00/558816500.db2.gz	HHSPCHCUKJXFGM-HSZRJFAPSA-N	2	0	409.549	3.950	40	0		HHABRP
[NH3+]CCCOc1cccc(C(=O)N2C[C@@H](c3ccccc3)[C@@H]3[NH2+]CCCCC[C@@H]32)c1	ZINC000585263572	559112044	/nfs/dbraw/zinc/11/20/44/559112044.db2.gz	RGVSTJMVURLYTL-HJOGWXRNSA-N	2	0	407.558	3.555	40	0		HHABRP
C[NH+](C)CCOc1ccc(C[NH+]2CCC(O)(COc3cccc(Cl)c3)CC2)cc1	ZINC000585273094	559117237	/nfs/dbraw/zinc/11/72/37/559117237.db2.gz	QTXVUZNVJCKHCM-UHFFFAOYSA-N	2	0	418.965	3.686	40	0		HHABRP
CN(C)c1cc([C@H]2CCCN2C(=O)C2(Cc3ccccc3)CC[NH+](C)CC2)ccn1	ZINC000257237953	568786855	/nfs/dbraw/zinc/78/68/55/568786855.db2.gz	HIYOIHCFANSBGF-JOCHJYFZSA-N	2	0	406.574	3.766	40	0		HHABRP