smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(S(=O)(=O)N(CC(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)C2CCCCC2)cc1OC	ZINC000000622535	551502887	/nfs/dbraw/zinc/50/28/87/551502887.db2.gz	SLOSJHPGHIZPKO-UHFFFAOYSA-N	0	0	559.685	3.100	50	0		KGAARN
COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1cn(-c2ccccc2)nc1-c1ccc(S(=O)(=O)N2CCOCC2)cc1	ZINC000000623695	551503231	/nfs/dbraw/zinc/50/32/31/551503231.db2.gz	JDIGRZPGSFDCLJ-UHFFFAOYSA-N	0	0	592.674	3.141	50	0		KGAARN
COC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)ccc3OC(C)=O)c(=O)n2[C@@H]1c1ccc(OC(C)=O)cc1	ZINC000000624082	551503426	/nfs/dbraw/zinc/50/34/26/551503426.db2.gz	FKLGSTKJUCSIED-VVOOWDFBSA-N	0	0	585.432	3.021	50	0		KGAARN
COC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)ccc3OC(C)=O)c(=O)n2[C@H]1c1ccc(OC(C)=O)cc1	ZINC000000624083	551503387	/nfs/dbraw/zinc/50/33/87/551503387.db2.gz	FKLGSTKJUCSIED-JUTHHCEFSA-N	0	0	585.432	3.021	50	0		KGAARN
COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1cn(-c2ccccc2)nc1-c1ccc(S(=O)(=O)N(C)C)cc1	ZINC000000624623	193857564	/nfs/dbraw/zinc/85/75/64/193857564.db2.gz	OENQJTGBWYPLPM-UHFFFAOYSA-N	0	0	550.637	3.370	50	0		KGAARN
COC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)ccc3OC(C)=O)c(=O)n2[C@@H]1c1ccccc1	ZINC000000625792	551503778	/nfs/dbraw/zinc/50/37/78/551503778.db2.gz	XLMZESZHZZMXKM-JAORQVBISA-N	0	0	527.396	3.096	50	0		KGAARN
COC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)ccc3OC(C)=O)c(=O)n2[C@H]1c1ccccc1	ZINC000000625795	551503764	/nfs/dbraw/zinc/50/37/64/551503764.db2.gz	XLMZESZHZZMXKM-JCAJYURWSA-N	0	0	527.396	3.096	50	0		KGAARN
CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1cc(I)c(O)c(OC)c1	ZINC000000627107	551503934	/nfs/dbraw/zinc/50/39/34/551503934.db2.gz	LLZSCLKMSCGUBK-UHFFFAOYSA-N	0	0	501.317	3.366	50	0		KGAARN
COC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)ccc3OC(C)=O)c(=O)n2[C@@H]1c1cccs1	ZINC000000627408	193858132	/nfs/dbraw/zinc/85/81/32/193858132.db2.gz	PDQQJYIAXYVVNB-WSDUQJHMSA-N	0	0	533.425	3.158	50	0		KGAARN
COC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)ccc3OC(C)=O)c(=O)n2[C@H]1c1cccs1	ZINC000000627410	551504027	/nfs/dbraw/zinc/50/40/27/551504027.db2.gz	PDQQJYIAXYVVNB-DDYRAIOVSA-N	0	0	533.425	3.158	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC(C)=O)c(OCC)c3)c(=O)n2[C@@H]1c1ccc(OC)cc1	ZINC000000627828	551504024	/nfs/dbraw/zinc/50/40/24/551504024.db2.gz	GKFBTRPTNSFNOI-LWUPDDLQSA-N	0	0	536.606	3.131	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC(C)=O)c(OCC)c3)c(=O)n2[C@H]1c1ccc(OC)cc1	ZINC000000627831	551503888	/nfs/dbraw/zinc/50/38/88/551503888.db2.gz	GKFBTRPTNSFNOI-GJFKPFFXSA-N	0	0	536.606	3.131	50	0		KGAARN
COC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)ccc3OC(C)=O)c(=O)n2[C@@H]1c1ccc(OC)cc1	ZINC000000627982	193858163	/nfs/dbraw/zinc/85/81/63/193858163.db2.gz	KBLXIQCKFDJEIA-ZRELAVNMSA-N	0	0	557.422	3.105	50	0		KGAARN
COC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)ccc3OC(C)=O)c(=O)n2[C@H]1c1ccc(OC)cc1	ZINC000000627984	551504264	/nfs/dbraw/zinc/50/42/64/551504264.db2.gz	KBLXIQCKFDJEIA-AFHVAHMMSA-N	0	0	557.422	3.105	50	0		KGAARN
Cc1ccc(N(CC(=O)Nc2cccc(N(C)S(C)(=O)=O)c2)S(=O)(=O)c2ccc(F)cc2)cc1	ZINC000000628325	551504268	/nfs/dbraw/zinc/50/42/68/551504268.db2.gz	MJVVGKXMFUNOTM-UHFFFAOYSA-N	0	0	505.593	3.364	50	0		KGAARN
COC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)ccc3OC(C)=O)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1	ZINC000000628806	551504553	/nfs/dbraw/zinc/50/45/53/551504553.db2.gz	OQQFLBLVTOPIEY-VVOOWDFBSA-N	0	0	587.448	3.113	50	0		KGAARN
COC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)ccc3OC(C)=O)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1	ZINC000000628808	193858621	/nfs/dbraw/zinc/85/86/21/193858621.db2.gz	OQQFLBLVTOPIEY-JUTHHCEFSA-N	0	0	587.448	3.113	50	0		KGAARN
COC(=O)C1=C(C)N=c2s/c(=C\c3c(F)cccc3Cl)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1	ZINC000000630845	551504753	/nfs/dbraw/zinc/50/47/53/551504753.db2.gz	OTBAFOGMTSLWRX-XQJRBFNUSA-N	0	0	502.951	3.218	50	0		KGAARN
COC(=O)C1=C(C)N=c2s/c(=C\c3c(F)cccc3Cl)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1	ZINC000000630847	551504733	/nfs/dbraw/zinc/50/47/33/551504733.db2.gz	OTBAFOGMTSLWRX-RZXXJPOTSA-N	0	0	502.951	3.218	50	0		KGAARN
COc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4ccc(OC)c(OC)c4)c(=O)n32)cc1	ZINC000000630854	551504780	/nfs/dbraw/zinc/50/47/80/551504780.db2.gz	UYHQXLLXHWTFIN-IGSWSUAKSA-N	0	0	508.596	3.213	50	0		KGAARN
COc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4ccc(OC)c(OC)c4)c(=O)n32)cc1	ZINC000000630856	551504777	/nfs/dbraw/zinc/50/47/77/551504777.db2.gz	UYHQXLLXHWTFIN-YMSBRDKKSA-N	0	0	508.596	3.213	50	0		KGAARN
COc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4ccc(OC(C)=O)c(OC)c4)c(=O)n32)cc1	ZINC000000630859	551504816	/nfs/dbraw/zinc/50/48/16/551504816.db2.gz	GBSOUWJFSRQPPA-CBYYHRJHSA-N	0	0	536.606	3.129	50	0		KGAARN
COc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4ccc(OC(C)=O)c(OC)c4)c(=O)n32)cc1	ZINC000000630862	551504704	/nfs/dbraw/zinc/50/47/04/551504704.db2.gz	GBSOUWJFSRQPPA-PNZYDNNZSA-N	0	0	536.606	3.129	50	0		KGAARN
COc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4ccc(OC)cc4OC)c(=O)n32)cc1	ZINC000000630863	551504800	/nfs/dbraw/zinc/50/48/00/551504800.db2.gz	BXILVDOHHFKSOJ-RWTNITNYSA-N	0	0	508.596	3.213	50	0		KGAARN
COc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4ccc(OC)cc4OC)c(=O)n32)cc1	ZINC000000630866	193858936	/nfs/dbraw/zinc/85/89/36/193858936.db2.gz	BXILVDOHHFKSOJ-MFUBYVTQSA-N	0	0	508.596	3.213	50	0		KGAARN
COc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4ccc(OC(C)=O)cc4)c(=O)n32)cc1	ZINC000000630899	551505070	/nfs/dbraw/zinc/50/50/70/551505070.db2.gz	VGVPEYUTLHGMPT-IGSWSUAKSA-N	0	0	506.580	3.121	50	0		KGAARN
COc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4ccc(OC(C)=O)cc4)c(=O)n32)cc1	ZINC000000630901	193858907	/nfs/dbraw/zinc/85/89/07/193858907.db2.gz	VGVPEYUTLHGMPT-YMSBRDKKSA-N	0	0	506.580	3.121	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCC)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OC)cc1	ZINC000000630904	551505055	/nfs/dbraw/zinc/50/50/55/551505055.db2.gz	HOJHCFATFLZVEO-DLBLZJNESA-N	0	0	508.596	3.214	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCC)c(OC)c3)c(=O)n2[C@H]1c1ccc(OC)cc1	ZINC000000630906	193858923	/nfs/dbraw/zinc/85/89/23/193858923.db2.gz	HOJHCFATFLZVEO-FCKOQQNDSA-N	0	0	508.596	3.214	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC(C)=O)c(OCC)c3)c(=O)n2[C@@H]1c1ccccc1	ZINC000000631297	193859307	/nfs/dbraw/zinc/85/93/07/193859307.db2.gz	OADHIXRXNCJKQV-WLGHQHAYSA-N	0	0	506.580	3.122	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC(C)=O)c(OCC)c3)c(=O)n2[C@H]1c1ccccc1	ZINC000000631298	193859435	/nfs/dbraw/zinc/85/94/35/193859435.db2.gz	OADHIXRXNCJKQV-NLZIUFDSSA-N	0	0	506.580	3.122	50	0		KGAARN
COc1cc(/C=c2\sc3n(c2=O)[C@H](c2cccs2)C(C(=O)OC(C)C)=C(C)N=3)cc(OC)c1OC	ZINC000000631438	551505026	/nfs/dbraw/zinc/50/50/26/551505026.db2.gz	AGHUOVWNGCFLGM-JAORQVBISA-N	0	0	514.625	3.274	50	0		KGAARN
COc1cc(/C=c2\sc3n(c2=O)[C@@H](c2cccs2)C(C(=O)OC(C)C)=C(C)N=3)cc(OC)c1OC	ZINC000000631441	551505458	/nfs/dbraw/zinc/50/54/58/551505458.db2.gz	AGHUOVWNGCFLGM-JCAJYURWSA-N	0	0	514.625	3.274	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC(C)=O)c(OCC)c3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1	ZINC000000631447	551505414	/nfs/dbraw/zinc/50/54/14/551505414.db2.gz	JGUHZBJRSZMGOQ-JAYSWQADSA-N	0	0	566.632	3.140	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC(C)=O)c(OCC)c3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1	ZINC000000631449	551505455	/nfs/dbraw/zinc/50/54/55/551505455.db2.gz	JGUHZBJRSZMGOQ-KEQCBNTKSA-N	0	0	566.632	3.140	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N(CC)CC)o3)c(=O)n2[C@@H]1c1cc(OC)ccc1OC	ZINC000000631649	193859718	/nfs/dbraw/zinc/85/97/18/193859718.db2.gz	MUGPFXMYOJNGBA-INJUALFYSA-N	0	0	525.627	3.255	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(CC)CC)o3)c(=O)n2[C@@H]1c1cc(OC)ccc1OC	ZINC000000631650	551505410	/nfs/dbraw/zinc/50/54/10/551505410.db2.gz	MUGPFXMYOJNGBA-HVUZKSCUSA-N	0	0	525.627	3.255	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(CC)CC)o3)c(=O)n2[C@H]1c1cc(OC)ccc1OC	ZINC000000631651	551505401	/nfs/dbraw/zinc/50/54/01/551505401.db2.gz	MUGPFXMYOJNGBA-VNSJDZJPSA-N	0	0	525.627	3.255	50	0		KGAARN
Cn1c2nc(SCC(=O)c3ccc(Cl)cc3)n(C[C@@H](O)COc3ccc(Cl)cc3)c2c(=O)[nH]c1=O	ZINC000000632669	193860273	/nfs/dbraw/zinc/86/02/73/193860273.db2.gz	FDBPRPIOJHUUEQ-MRXNPFEDSA-N	0	0	535.409	3.145	50	0		KGAARN
COC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3F)c(=O)n2[C@@H]1c1ccc(OC(=O)c2ccco2)cc1	ZINC000000632809	551505679	/nfs/dbraw/zinc/50/56/79/551505679.db2.gz	JLORHVZDKQOHHA-LJJBLSSYSA-N	0	0	518.522	3.360	50	0		KGAARN
COC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3F)c(=O)n2[C@H]1c1ccc(OC(=O)c2ccco2)cc1	ZINC000000632812	551505576	/nfs/dbraw/zinc/50/55/76/551505576.db2.gz	JLORHVZDKQOHHA-CVGPFBNFSA-N	0	0	518.522	3.360	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3OCC)c(=O)n2[C@@H]1c1ccc(OC(C)=O)c(OC)c1	ZINC000000633306	551505583	/nfs/dbraw/zinc/50/55/83/551505583.db2.gz	MKZJVSVQMWLNEU-XSZPGNIMSA-N	0	0	536.606	3.131	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3OCC)c(=O)n2[C@H]1c1ccc(OC(C)=O)c(OC)c1	ZINC000000633308	551505675	/nfs/dbraw/zinc/50/56/75/551505675.db2.gz	MKZJVSVQMWLNEU-XXMKCSCWSA-N	0	0	536.606	3.131	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC)cc3)c(=O)n2[C@@H]1c1ccc(OC(C)=O)c(OC)c1	ZINC000000634974	551505843	/nfs/dbraw/zinc/50/58/43/551505843.db2.gz	AIKKBHZJBNYDBO-AQIZGWBQSA-N	0	0	536.606	3.131	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC)cc3)c(=O)n2[C@H]1c1ccc(OC(C)=O)c(OC)c1	ZINC000000634976	551505921	/nfs/dbraw/zinc/50/59/21/551505921.db2.gz	AIKKBHZJBNYDBO-ZDGAQAAHSA-N	0	0	536.606	3.131	50	0		KGAARN
COc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4cc(OC)ccc4OC)c(=O)n32)cc1	ZINC000000635389	551506092	/nfs/dbraw/zinc/50/60/92/551506092.db2.gz	FNQLYXVGOKZZLS-IGSWSUAKSA-N	0	0	508.596	3.213	50	0		KGAARN
COc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4cc(OC)ccc4OC)c(=O)n32)cc1	ZINC000000635391	551506040	/nfs/dbraw/zinc/50/60/40/551506040.db2.gz	FNQLYXVGOKZZLS-YMSBRDKKSA-N	0	0	508.596	3.213	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3Cl)c(=O)n2[C@H]1c1ccc(OC(C)=O)c(OC)c1	ZINC000000635432	551506058	/nfs/dbraw/zinc/50/60/58/551506058.db2.gz	NYQIUVYFJBUTBB-VZIOXZNFSA-N	0	0	526.998	3.386	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3Cl)c(=O)n2[C@@H]1c1ccc(OC(C)=O)c(OC)c1	ZINC000000635435	551506079	/nfs/dbraw/zinc/50/60/79/551506079.db2.gz	NYQIUVYFJBUTBB-QCHPHUCNSA-N	0	0	526.998	3.386	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Cl)cc3)c(=O)n2[C@H]1c1ccc(OC(C)=O)c(OC)c1	ZINC000000635497	193860844	/nfs/dbraw/zinc/86/08/44/193860844.db2.gz	RVFHETIGTDUGCK-JUTHHCEFSA-N	0	0	526.998	3.386	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Cl)cc3)c(=O)n2[C@@H]1c1ccc(OC(C)=O)c(OC)c1	ZINC000000635499	551506131	/nfs/dbraw/zinc/50/61/31/551506131.db2.gz	RVFHETIGTDUGCK-VVOOWDFBSA-N	0	0	526.998	3.386	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC)c(OC)c3)c(=O)n2[C@H]1c1ccc(OC(C)=O)c(OC)c1	ZINC000000635598	551506101	/nfs/dbraw/zinc/50/61/01/551506101.db2.gz	YXLDQDNPXKGCBX-KEQCBNTKSA-N	0	0	566.632	3.140	50	0		KGAARN
COc1cccc(/C=c2\sc3n(c2=O)[C@H](c2ccc(OC(C)=O)c(OC)c2)C(C(=O)OCC(C)C)=C(C)N=3)c1	ZINC000000635622	193861302	/nfs/dbraw/zinc/86/13/02/193861302.db2.gz	QZROVZLBHCDQON-NFYDWNOTSA-N	0	0	550.633	3.377	50	0		KGAARN
COc1cccc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OC(C)=O)c(OC)c2)C(C(=O)OCC(C)C)=C(C)N=3)c1	ZINC000000635625	551506107	/nfs/dbraw/zinc/50/61/07/551506107.db2.gz	QZROVZLBHCDQON-ZFWDJNJRSA-N	0	0	550.633	3.377	50	0		KGAARN
COc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4cc(OC)c(OC)c(OC)c4)c(=O)n32)cc1	ZINC000000635667	551506046	/nfs/dbraw/zinc/50/60/46/551506046.db2.gz	SKYJLSMOTXDXNR-IGSWSUAKSA-N	0	0	538.622	3.221	50	0		KGAARN
COc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4cc(OC)c(OC)c(OC)c4)c(=O)n32)cc1	ZINC000000635683	551506110	/nfs/dbraw/zinc/50/61/10/551506110.db2.gz	SKYJLSMOTXDXNR-YMSBRDKKSA-N	0	0	538.622	3.221	50	0		KGAARN
COc1cccc(/C=c2\sc3n(c2=O)[C@H](c2ccc(OC(C)=O)c(OC)c2)C(C(=O)OCC(C)C)=C(C)N=3)c1OC	ZINC000000635685	551506116	/nfs/dbraw/zinc/50/61/16/551506116.db2.gz	VLMYYYDJARTXBC-ZSJKCPIUSA-N	0	0	580.659	3.386	50	0		KGAARN
COc1cccc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OC(C)=O)c(OC)c2)C(C(=O)OCC(C)C)=C(C)N=3)c1OC	ZINC000000635687	551506105	/nfs/dbraw/zinc/50/61/05/551506105.db2.gz	VLMYYYDJARTXBC-QARYAGPDSA-N	0	0	580.659	3.386	50	0		KGAARN
COc1ccc(/C=c2\sc3n(c2=O)[C@H](c2ccc(OC(C)=O)c(OC)c2)C(C(=O)OCC(C)C)=C(C)N=3)c(OC)c1	ZINC000000635689	551506140	/nfs/dbraw/zinc/50/61/40/551506140.db2.gz	FQFOZAPGTSKIET-GRXWAMFVSA-N	0	0	580.659	3.386	50	0		KGAARN
COc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OC(C)=O)c(OC)c2)C(C(=O)OCC(C)C)=C(C)N=3)c(OC)c1	ZINC000000635691	551506051	/nfs/dbraw/zinc/50/60/51/551506051.db2.gz	FQFOZAPGTSKIET-QHZSLAKNSA-N	0	0	580.659	3.386	50	0		KGAARN
COc1ccc(OC)c(/C=c2\sc3n(c2=O)[C@H](c2ccc(OC(C)=O)c(OC)c2)C(C(=O)OCC(C)C)=C(C)N=3)c1	ZINC000000635694	551506134	/nfs/dbraw/zinc/50/61/34/551506134.db2.gz	KJUUDGBXWSOZOP-ORVZPOCUSA-N	0	0	580.659	3.386	50	0		KGAARN
COc1ccc(OC)c(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OC(C)=O)c(OC)c2)C(C(=O)OCC(C)C)=C(C)N=3)c1	ZINC000000635696	193861398	/nfs/dbraw/zinc/86/13/98/193861398.db2.gz	KJUUDGBXWSOZOP-IYVASWNSSA-N	0	0	580.659	3.386	50	0		KGAARN
COc1ccccc1/C=c1\sc2n(c1=O)[C@H](c1ccc(OC(C)=O)c(OC)c1)C(C(=O)OCC(C)C)=C(C)N=2	ZINC000000635753	551506089	/nfs/dbraw/zinc/50/60/89/551506089.db2.gz	SXZSBCVTWIBDEG-ZSJKCPIUSA-N	0	0	550.633	3.377	50	0		KGAARN
COc1ccccc1/C=c1\sc2n(c1=O)[C@@H](c1ccc(OC(C)=O)c(OC)c1)C(C(=O)OCC(C)C)=C(C)N=2	ZINC000000635754	551506148	/nfs/dbraw/zinc/50/61/48/551506148.db2.gz	SXZSBCVTWIBDEG-QARYAGPDSA-N	0	0	550.633	3.377	50	0		KGAARN
CCc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)S(=O)(=O)c1ccccc1	ZINC000000636427	551506399	/nfs/dbraw/zinc/50/63/99/551506399.db2.gz	AKDZXXDBAFSVFA-UHFFFAOYSA-N	0	0	543.667	3.104	50	0		KGAARN
CCOC(=O)N1CCN(C(=O)CN(c2cccc(Cl)c2Cl)S(=O)(=O)c2ccccc2)CC1	ZINC000000636442	551506370	/nfs/dbraw/zinc/50/63/70/551506370.db2.gz	URSMJIJFFLWZRS-UHFFFAOYSA-N	0	0	500.404	3.489	50	0		KGAARN
COc1ccc(N(CC(=O)N2CCN(c3ccc(F)cc3)CC2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1	ZINC000000637512	193861846	/nfs/dbraw/zinc/86/18/46/193861846.db2.gz	UOUYRYBGSQUPIY-UHFFFAOYSA-N	0	0	543.617	3.396	50	0		KGAARN
COc1ccc(N(CC(=O)N2CCN(c3ccccc3F)CC2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1	ZINC000000637548	551506389	/nfs/dbraw/zinc/50/63/89/551506389.db2.gz	BCXZCVAXMXFRCE-UHFFFAOYSA-N	0	0	543.617	3.396	50	0		KGAARN
COc1ccc(NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc3c(c2)OCCO3)cc1OC	ZINC000000638135	551506659	/nfs/dbraw/zinc/50/66/59/551506659.db2.gz	MZPBNSVPPPNUSI-UHFFFAOYSA-N	0	0	502.520	3.448	50	0		KGAARN
CN(c1cccc(NC(=O)CN(c2cc(C(F)(F)F)ccc2Cl)S(C)(=O)=O)c1)S(C)(=O)=O	ZINC000000638226	551506593	/nfs/dbraw/zinc/50/65/93/551506593.db2.gz	RARVAKOMYKPSOR-UHFFFAOYSA-N	0	0	513.947	3.159	50	0		KGAARN
COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc5c(c4)n(C)c(=O)n5C)c(=O)n32)cc1	ZINC000000642164	551507127	/nfs/dbraw/zinc/50/71/27/551507127.db2.gz	HDKIKAKAJLOIQH-DBXPASCUSA-N	0	0	565.655	3.073	50	0		KGAARN
COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc5c(c4)n(C)c(=O)n5C)c(=O)n32)cc1	ZINC000000642166	551507061	/nfs/dbraw/zinc/50/70/61/551507061.db2.gz	HDKIKAKAJLOIQH-CMISJSSVSA-N	0	0	565.655	3.073	50	0		KGAARN
Cc1ccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)cc1S(=O)(=O)N1CCN(c2ccccc2)CC1	ZINC000000645206	193862706	/nfs/dbraw/zinc/86/27/06/193862706.db2.gz	AUBZTEOOQGQNFO-UHFFFAOYSA-N	0	0	540.711	3.017	50	0		KGAARN
Cc1ccc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)cc1S(=O)(=O)N1CCN(c2ccc(F)cc2)CC1	ZINC000000645213	551507725	/nfs/dbraw/zinc/50/77/25/551507725.db2.gz	ODARLVLWLHZRHX-UHFFFAOYSA-N	0	0	576.691	3.295	50	0		KGAARN
Cc1onc(-c2ccccc2Cl)c1C(=O)OCC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1	ZINC000000645224	193862712	/nfs/dbraw/zinc/86/27/12/193862712.db2.gz	FJHZDPHLMWCIGF-UHFFFAOYSA-N	0	0	504.948	3.364	50	0		KGAARN
CCOc1ccc(S(=O)(=O)n2c3ccccc3n(S(=O)(=O)c3ccc(OCC)cc3)c2=O)cc1	ZINC000000645661	551507665	/nfs/dbraw/zinc/50/76/65/551507665.db2.gz	QQEGYLBLEGLIAI-UHFFFAOYSA-N	0	0	502.570	3.074	50	0		KGAARN
CC(=O)N(c1ccc(N(C(C)=O)S(=O)(=O)c2ccc(F)cc2)cc1)S(=O)(=O)c1ccc(F)cc1	ZINC000000646142	551507837	/nfs/dbraw/zinc/50/78/37/551507837.db2.gz	JMXXPWCWEUSZAY-UHFFFAOYSA-N	0	0	508.524	3.448	50	0		KGAARN
COc1ccc(N(CC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)S(=O)(=O)c2ccccc2)c(OC)c1	ZINC000000647644	551508869	/nfs/dbraw/zinc/50/88/69/551508869.db2.gz	UVPATHPTRPPICY-UHFFFAOYSA-N	0	0	536.610	3.336	50	0		KGAARN
CCn1ncc(/C=c2/sc3n(c2=O)[C@H](c2ccc(OC)cc2)C(C(=O)Nc2ccccc2)=C(C)N=3)c1C	ZINC000000650124	551511837	/nfs/dbraw/zinc/51/18/37/551511837.db2.gz	AWXLAIZCQCPKQM-XSZPGNIMSA-N	0	0	513.623	3.407	50	0		KGAARN
CCn1cc(/C=c2/sc3n(c2=O)[C@H](c2ccc(OC)cc2)C(C(=O)Nc2ccccc2)=C(C)N=3)c(C)n1	ZINC000000650150	551511871	/nfs/dbraw/zinc/51/18/71/551511871.db2.gz	SVPIUUPRWBSTLW-XSZPGNIMSA-N	0	0	513.623	3.407	50	0		KGAARN
CCn1cc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(OC)cc2)C(C(=O)Nc2ccccc2)=C(C)N=3)c(C)n1	ZINC000000650153	193867873	/nfs/dbraw/zinc/86/78/73/193867873.db2.gz	SVPIUUPRWBSTLW-XXMKCSCWSA-N	0	0	513.623	3.407	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc4c(cc3Br)OCO4)c(=O)n2[C@H]1c1ccc(OC)cc1	ZINC000000653494	551513136	/nfs/dbraw/zinc/51/31/36/551513136.db2.gz	HJGGILMQPMHLAQ-OFHGOEMBSA-N	0	0	557.422	3.298	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc4c(cc3Br)OCO4)c(=O)n2[C@@H]1c1ccc(OC)cc1	ZINC000000653497	551513112	/nfs/dbraw/zinc/51/31/12/551513112.db2.gz	HJGGILMQPMHLAQ-HSELDNCXSA-N	0	0	557.422	3.298	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(O)c(OC)c3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1	ZINC000000653520	551513173	/nfs/dbraw/zinc/51/31/73/551513173.db2.gz	JNDSABZAAKABIM-IYMWYRQMSA-N	0	0	589.464	3.292	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(O)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1	ZINC000000653525	551513146	/nfs/dbraw/zinc/51/31/46/551513146.db2.gz	JNDSABZAAKABIM-VMOHIOPYSA-N	0	0	589.464	3.292	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\Cc3cc(Cl)ccc3O)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1	ZINC000000653601	551513116	/nfs/dbraw/zinc/51/31/16/551513116.db2.gz	DEWABMFEBPONQE-YOURIZNBSA-N	0	0	529.014	3.369	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\Cc3cc(Cl)ccc3O)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1	ZINC000000653605	551513168	/nfs/dbraw/zinc/51/31/68/551513168.db2.gz	DEWABMFEBPONQE-GSOQPGDSSA-N	0	0	529.014	3.369	50	0		KGAARN
O=C(Nc1cccc(C(F)(F)F)c1)[C@@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1	ZINC000000654138	551513399	/nfs/dbraw/zinc/51/33/99/551513399.db2.gz	IYYMQRBTGDKCMV-QFIPXVFZSA-N	0	0	553.584	3.408	50	0		KGAARN
O=C(Nc1ccccc1Cl)[C@@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1	ZINC000000654217	551513618	/nfs/dbraw/zinc/51/36/18/551513618.db2.gz	XCSUZGWICCUCIT-QFIPXVFZSA-N	0	0	520.032	3.043	50	0		KGAARN
O=S(=O)(c1ccc(Br)s1)N1CCCN(S(=O)(=O)c2ccc(Br)s2)CC1	ZINC000000654470	551513713	/nfs/dbraw/zinc/51/37/13/551513713.db2.gz	WZAGDNZGMDMOFE-UHFFFAOYSA-N	0	0	550.341	3.420	50	0		KGAARN
CCOC(=O)c1nnn(CC(=O)N2N=C(c3ccccc3)C[C@@H]2c2ccc(OC)cc2)c1C(=O)OCC	ZINC000000655529	551513868	/nfs/dbraw/zinc/51/38/68/551513868.db2.gz	WGXICNULFREDDT-OAQYLSRUSA-N	0	0	505.531	3.018	50	0		KGAARN
CCOC(=O)c1nnn(CC(=O)N2N=C(c3ccccc3)C[C@H]2c2ccc(OC)cc2)c1C(=O)OCC	ZINC000000655530	551513874	/nfs/dbraw/zinc/51/38/74/551513874.db2.gz	WGXICNULFREDDT-NRFANRHFSA-N	0	0	505.531	3.018	50	0		KGAARN
COc1ccc(N(CC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)S(=O)(=O)c2ccccc2)cc1OC	ZINC000000655916	551513920	/nfs/dbraw/zinc/51/39/20/551513920.db2.gz	SYNPAOHZUDDHCE-UHFFFAOYSA-N	0	0	536.610	3.336	50	0		KGAARN
O=C(Nc1ccccc1C(F)(F)F)[C@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1	ZINC000000655957	551513848	/nfs/dbraw/zinc/51/38/48/551513848.db2.gz	TYQWVMDPEUXFLY-JOCHJYFZSA-N	0	0	553.584	3.408	50	0		KGAARN
Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)c2cc(C)cc(C)c2)cc1	ZINC000000656154	551513895	/nfs/dbraw/zinc/51/38/95/551513895.db2.gz	CHSRUUFNUHLMPN-UHFFFAOYSA-N	0	0	557.694	3.467	50	0		KGAARN
CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1cccc2ccccc21	ZINC000000656706	551514088	/nfs/dbraw/zinc/51/40/88/551514088.db2.gz	PTHMTLUKNQAMJH-UHFFFAOYSA-N	0	0	501.630	3.419	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(O)c(OC)c3)c(=O)n2[C@H]1c1ccc(OC)cc1	ZINC000000657040	551514044	/nfs/dbraw/zinc/51/40/44/551514044.db2.gz	JIVVEGWYGMISBZ-JCAJYURWSA-N	0	0	559.438	3.284	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(O)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OC)cc1	ZINC000000657045	551513988	/nfs/dbraw/zinc/51/39/88/551513988.db2.gz	JIVVEGWYGMISBZ-JAORQVBISA-N	0	0	559.438	3.284	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(O)c(OC)c3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2	ZINC000000657063	551514079	/nfs/dbraw/zinc/51/40/79/551514079.db2.gz	UUZZMALLUJUAHE-YOGOOIESSA-N	0	0	573.421	3.004	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(O)c(OC)c3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2	ZINC000000657067	551514327	/nfs/dbraw/zinc/51/43/27/551514327.db2.gz	UUZZMALLUJUAHE-WQLLJXGDSA-N	0	0	573.421	3.004	50	0		KGAARN
Cc1c(N(CC(=O)NCc2ccc(C)cc2)S(=O)(=O)c2ccccc2)c(=O)n(-c2ccccc2)n1C	ZINC000000657073	551514325	/nfs/dbraw/zinc/51/43/25/551514325.db2.gz	KGGVWHRESYQXQU-UHFFFAOYSA-N	0	0	504.612	3.305	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3c[nH]c4ccccc34)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1	ZINC000000657130	551514331	/nfs/dbraw/zinc/51/43/31/551514331.db2.gz	VGFMBYQFBVASDQ-MFUBYVTQSA-N	0	0	503.580	3.297	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3c[nH]c4ccccc34)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1	ZINC000000657134	551514312	/nfs/dbraw/zinc/51/43/12/551514312.db2.gz	VGFMBYQFBVASDQ-RWTNITNYSA-N	0	0	503.580	3.297	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(O)c(Br)c3)c(=O)n2[C@H]1c1ccc(OC)cc1	ZINC000000657144	551514319	/nfs/dbraw/zinc/51/43/19/551514319.db2.gz	INXZEZMRPRMEJD-JCAJYURWSA-N	0	0	529.412	3.275	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(O)c(Br)c3)c(=O)n2[C@@H]1c1ccc(OC)cc1	ZINC000000657149	551514343	/nfs/dbraw/zinc/51/43/43/551514343.db2.gz	INXZEZMRPRMEJD-JAORQVBISA-N	0	0	529.412	3.275	50	0		KGAARN
Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(N)(=O)=O)cc2)Cc2ccc(Cl)cc2)cc1	ZINC000000658344	551514623	/nfs/dbraw/zinc/51/46/23/551514623.db2.gz	VRSSBWDCMZUTNA-UHFFFAOYSA-N	0	0	508.021	3.125	50	0		KGAARN
CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(N(C)C)o3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2	ZINC000000660349	551515962	/nfs/dbraw/zinc/51/59/62/551515962.db2.gz	QJYBLMXVHDXOOP-ABSINIAXSA-N	0	0	543.601	3.323	50	0		KGAARN
CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(N(C)C)o3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2	ZINC000000660352	551515991	/nfs/dbraw/zinc/51/59/91/551515991.db2.gz	QJYBLMXVHDXOOP-ZQMPRBCBSA-N	0	0	543.601	3.323	50	0		KGAARN
CCOC(=O)N1CCN(C(=O)CN(c2ccc(Cl)cc2Cl)S(=O)(=O)c2ccccc2)CC1	ZINC000000660959	551516039	/nfs/dbraw/zinc/51/60/39/551516039.db2.gz	MPLMYVWXUSVQJL-UHFFFAOYSA-N	0	0	500.404	3.489	50	0		KGAARN
COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(I)cc3)CC2)cc1	ZINC000000661198	551516179	/nfs/dbraw/zinc/51/61/79/551516179.db2.gz	RHRKLUOAOKLUOJ-UHFFFAOYSA-N	0	0	500.358	3.339	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N4CCCCC4)o3)c(=O)n2[C@H]1c1ccccc1OC	ZINC000000665416	551516986	/nfs/dbraw/zinc/51/69/86/551516986.db2.gz	ODSZPZWJCMKNDM-RTWFUWSXSA-N	0	0	507.612	3.390	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N4CCCCC4)o3)c(=O)n2[C@@H]1c1ccccc1OC	ZINC000000665420	551516980	/nfs/dbraw/zinc/51/69/80/551516980.db2.gz	ODSZPZWJCMKNDM-OFVJEAJMSA-N	0	0	507.612	3.390	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(O)c(OCC)c3)c(=O)n2[C@H]1c1ccc(OCC)cc1	ZINC000000665553	551516977	/nfs/dbraw/zinc/51/69/77/551516977.db2.gz	HBKLYGNPRZTFLX-FCKOQQNDSA-N	0	0	508.596	3.301	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(O)c(OCC)c3)c(=O)n2[C@@H]1c1ccc(OCC)cc1	ZINC000000665557	551516960	/nfs/dbraw/zinc/51/69/60/551516960.db2.gz	HBKLYGNPRZTFLX-DLBLZJNESA-N	0	0	508.596	3.301	50	0		KGAARN
Cc1ccc(NC(=O)[C@@H]2CN(S(=O)(=O)c3ccccc3)CCN2S(=O)(=O)c2ccccc2)c(C)c1	ZINC000000666128	551517455	/nfs/dbraw/zinc/51/74/55/551517455.db2.gz	UJWZQHYEBRIUTE-DEOSSOPVSA-N	0	0	513.641	3.006	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3c[nH]c4ccccc34)c(=O)n2[C@H]1c1cc(OC)ccc1OC	ZINC000000666559	551517476	/nfs/dbraw/zinc/51/74/76/551517476.db2.gz	RMPQUWUWCKBLBD-IZBTWGKQSA-N	0	0	503.580	3.297	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3c[nH]c4ccccc34)c(=O)n2[C@@H]1c1cc(OC)ccc1OC	ZINC000000666562	551517452	/nfs/dbraw/zinc/51/74/52/551517452.db2.gz	RMPQUWUWCKBLBD-DKOMQPSQSA-N	0	0	503.580	3.297	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC(C)=O)c(OC)c3)c(=O)n2[C@H]1c1ccc(OCC)cc1	ZINC000000669436	551518541	/nfs/dbraw/zinc/51/85/41/551518541.db2.gz	MCGPKRZPCCBIJL-GJFKPFFXSA-N	0	0	536.606	3.131	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC(C)=O)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OCC)cc1	ZINC000000669440	551518549	/nfs/dbraw/zinc/51/85/49/551518549.db2.gz	MCGPKRZPCCBIJL-LWUPDDLQSA-N	0	0	536.606	3.131	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(NC(C)=O)cc3)c(=O)n2[C@H]1c1ccc(OCC)cc1	ZINC000000669445	551518589	/nfs/dbraw/zinc/51/85/89/551518589.db2.gz	FQBDHWCWDPQHDO-FCKOQQNDSA-N	0	0	505.596	3.155	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(NC(C)=O)cc3)c(=O)n2[C@@H]1c1ccc(OCC)cc1	ZINC000000669448	551518637	/nfs/dbraw/zinc/51/86/37/551518637.db2.gz	FQBDHWCWDPQHDO-DLBLZJNESA-N	0	0	505.596	3.155	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(O)c(OCC)c3)c(=O)n2[C@@H]1c1ccc(OC)c(OCC)c1	ZINC000000669785	551518983	/nfs/dbraw/zinc/51/89/83/551518983.db2.gz	NTRSVWFULBKSMJ-CBYYHRJHSA-N	0	0	538.622	3.310	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(O)c(OCC)c3)c(=O)n2[C@H]1c1ccc(OC)c(OCC)c1	ZINC000000669789	551518941	/nfs/dbraw/zinc/51/89/41/551518941.db2.gz	NTRSVWFULBKSMJ-PNZYDNNZSA-N	0	0	538.622	3.310	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OC)c3)c(=O)n2[C@H]1c1ccc(OC)c(OCC)c1	ZINC000000669953	551518951	/nfs/dbraw/zinc/51/89/51/551518951.db2.gz	UGKSRLBHVIPHLE-YMSBRDKKSA-N	0	0	508.596	3.214	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OC)c3)c(=O)n2[C@@H]1c1ccc(OC)c(OCC)c1	ZINC000000669957	551518964	/nfs/dbraw/zinc/51/89/64/551518964.db2.gz	UGKSRLBHVIPHLE-IGSWSUAKSA-N	0	0	508.596	3.214	50	0		KGAARN
O=C(CCCC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1	ZINC000000671443	551519236	/nfs/dbraw/zinc/51/92/36/551519236.db2.gz	JXKJEYBETYRLJS-UHFFFAOYSA-N	0	0	548.687	3.003	50	0		KGAARN
O=C(CCC(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1	ZINC000000672532	551519509	/nfs/dbraw/zinc/51/95/09/551519509.db2.gz	DUARPAJKSDMRPF-UHFFFAOYSA-N	0	0	562.714	3.393	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Br)o3)c(=O)n2[C@H]1c1ccc(OC)cc1OC	ZINC000000680280	551523716	/nfs/dbraw/zinc/52/37/16/551523716.db2.gz	YIOPETPUYALCTI-OWMRDYPQSA-N	0	0	533.400	3.171	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Br)o3)c(=O)n2[C@@H]1c1ccc(OC)cc1OC	ZINC000000680282	551523795	/nfs/dbraw/zinc/52/37/95/551523795.db2.gz	YIOPETPUYALCTI-ZZODWALSSA-N	0	0	533.400	3.171	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Br)o3)c(=O)n2[C@H]1c1cc(OC)ccc1OC	ZINC000000680288	551523836	/nfs/dbraw/zinc/52/38/36/551523836.db2.gz	LCSOLKAHWROVFU-OWMRDYPQSA-N	0	0	533.400	3.171	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Br)o3)c(=O)n2[C@@H]1c1cc(OC)ccc1OC	ZINC000000680290	551523722	/nfs/dbraw/zinc/52/37/22/551523722.db2.gz	LCSOLKAHWROVFU-ZZODWALSSA-N	0	0	533.400	3.171	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N4CCCCC4)o3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1	ZINC000000680300	551524079	/nfs/dbraw/zinc/52/40/79/551524079.db2.gz	OFTPVNBOSBJHEK-YVVITCHPSA-N	0	0	537.638	3.399	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N4CCCCC4)o3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1	ZINC000000680302	551524129	/nfs/dbraw/zinc/52/41/29/551524129.db2.gz	OFTPVNBOSBJHEK-GJISQHIDSA-N	0	0	537.638	3.399	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Br)o3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1	ZINC000000680304	551524089	/nfs/dbraw/zinc/52/40/89/551524089.db2.gz	PNMITKMVDYXSMB-OWMRDYPQSA-N	0	0	533.400	3.171	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Br)o3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1	ZINC000000680306	551524101	/nfs/dbraw/zinc/52/41/01/551524101.db2.gz	PNMITKMVDYXSMB-ZZODWALSSA-N	0	0	533.400	3.171	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N4CCCCC4)o3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2	ZINC000000680332	551524062	/nfs/dbraw/zinc/52/40/62/551524062.db2.gz	YRLGGQGBRXSHAV-WNOSOOIWSA-N	0	0	521.595	3.110	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N4CCCCC4)o3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2	ZINC000000680334	551524043	/nfs/dbraw/zinc/52/40/43/551524043.db2.gz	YRLGGQGBRXSHAV-OBVMJLIASA-N	0	0	521.595	3.110	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc4c(cc3Cl)OCO4)c(=O)n2[C@H]1c1ccc(OC)cc1	ZINC000000680336	551524095	/nfs/dbraw/zinc/52/40/95/551524095.db2.gz	NOEBZSSVHZQJGS-OFHGOEMBSA-N	0	0	512.971	3.189	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc4c(cc3Cl)OCO4)c(=O)n2[C@@H]1c1ccc(OC)cc1	ZINC000000680338	551524127	/nfs/dbraw/zinc/52/41/27/551524127.db2.gz	NOEBZSSVHZQJGS-HSELDNCXSA-N	0	0	512.971	3.189	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(C)C)o3)c(=O)n2[C@H]1c1ccc(Br)cc1	ZINC000000680350	551524099	/nfs/dbraw/zinc/52/40/99/551524099.db2.gz	VPZXHCBNLYPIOC-PGNDWZGLSA-N	0	0	516.417	3.220	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(C)C)o3)c(=O)n2[C@@H]1c1ccc(Br)cc1	ZINC000000680352	551524093	/nfs/dbraw/zinc/52/40/93/551524093.db2.gz	VPZXHCBNLYPIOC-MJLBXUHQSA-N	0	0	516.417	3.220	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(O)c(OC)c3)c(=O)n2[C@H]1c1ccc(Br)cc1	ZINC000000680354	551524119	/nfs/dbraw/zinc/52/41/19/551524119.db2.gz	QSWULSJMVNJGKQ-JCAJYURWSA-N	0	0	529.412	3.275	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(O)c(OC)c3)c(=O)n2[C@@H]1c1ccc(Br)cc1	ZINC000000680356	551524114	/nfs/dbraw/zinc/52/41/14/551524114.db2.gz	QSWULSJMVNJGKQ-JAORQVBISA-N	0	0	529.412	3.275	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)c(O)c3)c(=O)n2[C@H]1c1ccc(OC(C)C)cc1	ZINC000000680751	551524330	/nfs/dbraw/zinc/52/43/30/551524330.db2.gz	ABPBRWSSXLUKCB-YMSBRDKKSA-N	0	0	508.596	3.300	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)c(O)c3)c(=O)n2[C@@H]1c1ccc(OC(C)C)cc1	ZINC000000680753	551524297	/nfs/dbraw/zinc/52/42/97/551524297.db2.gz	ABPBRWSSXLUKCB-IGSWSUAKSA-N	0	0	508.596	3.300	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(CC)CC)o3)c(=O)n2[C@@H]1c1ccc(OC)cc1OC	ZINC000000680789	1060051776	/nfs/dbraw/zinc/05/17/76/1060051776.db2.gz	CXVXFRBPDXZREU-HVUZKSCUSA-N	0	0	525.627	3.255	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N(CC)CC)o3)c(=O)n2[C@H]1c1ccc(OC)cc1OC	ZINC000000680791	551524351	/nfs/dbraw/zinc/52/43/51/551524351.db2.gz	CXVXFRBPDXZREU-VOZFUJEASA-N	0	0	525.627	3.255	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(CC)CC)o3)c(=O)n2[C@H]1c1ccc(OC)cc1OC	ZINC000000680792	1060052096	/nfs/dbraw/zinc/05/20/96/1060052096.db2.gz	CXVXFRBPDXZREU-VNSJDZJPSA-N	0	0	525.627	3.255	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(CC)CC)o3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1	ZINC000000680816	551524282	/nfs/dbraw/zinc/52/42/82/551524282.db2.gz	CAVQXNXHTUXJKW-HVUZKSCUSA-N	0	0	525.627	3.255	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(CC)CC)o3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1	ZINC000000680818	551524325	/nfs/dbraw/zinc/52/43/25/551524325.db2.gz	CAVQXNXHTUXJKW-VNSJDZJPSA-N	0	0	525.627	3.255	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(O)c(OC)c3)c(=O)n2[C@H]1c1ccc(OC(C)C)cc1	ZINC000000680873	551524356	/nfs/dbraw/zinc/52/43/56/551524356.db2.gz	XTHQRZBCJQNVMF-YMSBRDKKSA-N	0	0	508.596	3.300	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(O)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OC(C)C)cc1	ZINC000000680875	551524328	/nfs/dbraw/zinc/52/43/28/551524328.db2.gz	XTHQRZBCJQNVMF-IGSWSUAKSA-N	0	0	508.596	3.300	50	0		KGAARN
CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3ccc(N4CCN(C)CC4)o3)c(=O)n2[C@H]1c1ccc(OC)cc1	ZINC000000685344	551525788	/nfs/dbraw/zinc/52/57/88/551525788.db2.gz	UKMVSYFIXMEVOT-LJAQVGFWSA-N	0	0	584.698	3.289	50	0		KGAARN
CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3ccc(N4CCN(C)CC4)o3)c(=O)n2[C@@H]1c1ccc(OC)cc1	ZINC000000685346	551525792	/nfs/dbraw/zinc/52/57/92/551525792.db2.gz	UKMVSYFIXMEVOT-GDLZYMKVSA-N	0	0	584.698	3.289	50	0		KGAARN
CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3ccc(N4CCN(C)CC4)o3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2	ZINC000000685356	551525799	/nfs/dbraw/zinc/52/57/99/551525799.db2.gz	FNURAVWZLJEEFB-LJAQVGFWSA-N	0	0	598.681	3.009	50	0		KGAARN
CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3ccc(N4CCN(C)CC4)o3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2	ZINC000000685358	551525833	/nfs/dbraw/zinc/52/58/33/551525833.db2.gz	FNURAVWZLJEEFB-GDLZYMKVSA-N	0	0	598.681	3.009	50	0		KGAARN
CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(N4CCN(C)CC4)o3)c(=O)n2[C@H]1c1cccs1	ZINC000000685384	551525842	/nfs/dbraw/zinc/52/58/42/551525842.db2.gz	LZNJSWFGALAMJO-UHHZJNINSA-N	0	0	560.701	3.342	50	0		KGAARN
CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(N4CCN(C)CC4)o3)c(=O)n2[C@@H]1c1cccs1	ZINC000000685386	551525821	/nfs/dbraw/zinc/52/58/21/551525821.db2.gz	LZNJSWFGALAMJO-SXHIARFNSA-N	0	0	560.701	3.342	50	0		KGAARN
COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N4CCCCC4)o3)c(=O)n2[C@@H]1c1ccc(OC)cc1OC	ZINC000000687939	551526299	/nfs/dbraw/zinc/52/62/99/551526299.db2.gz	SNOKJZULUPOQPQ-HVUZKSCUSA-N	0	0	523.611	3.009	50	0		KGAARN
COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N4CCCCC4)o3)c(=O)n2[C@H]1c1ccc(OC)cc1OC	ZINC000000687941	551526295	/nfs/dbraw/zinc/52/62/95/551526295.db2.gz	SNOKJZULUPOQPQ-VNSJDZJPSA-N	0	0	523.611	3.009	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(C)C)o3)c(=O)n2[C@H]1c1ccc(OC)c(Br)c1	ZINC000000687943	551526315	/nfs/dbraw/zinc/52/63/15/551526315.db2.gz	ARXWUSLCOICCHJ-CNEDASOKSA-N	0	0	546.443	3.228	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(C)C)o3)c(=O)n2[C@@H]1c1ccc(OC)c(Br)c1	ZINC000000687945	551526326	/nfs/dbraw/zinc/52/63/26/551526326.db2.gz	ARXWUSLCOICCHJ-SARUNTBLSA-N	0	0	546.443	3.228	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc4c(c3)OCO4)c(=O)n2[C@H]1c1ccc(OC)c(Br)c1	ZINC000000687947	551526304	/nfs/dbraw/zinc/52/63/04/551526304.db2.gz	GMXOXHIUIXDRFN-OFHGOEMBSA-N	0	0	557.422	3.298	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc4c(c3)OCO4)c(=O)n2[C@@H]1c1ccc(OC)c(Br)c1	ZINC000000687949	551526350	/nfs/dbraw/zinc/52/63/50/551526350.db2.gz	GMXOXHIUIXDRFN-HSELDNCXSA-N	0	0	557.422	3.298	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccco3)c(=O)n2[C@H]1c1ccc(OC)c(Br)c1	ZINC000000687951	551526359	/nfs/dbraw/zinc/52/63/59/551526359.db2.gz	MZBQCTDEXANSBN-XGHXRCDJSA-N	0	0	503.374	3.162	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccco3)c(=O)n2[C@@H]1c1ccc(OC)c(Br)c1	ZINC000000687953	551526347	/nfs/dbraw/zinc/52/63/47/551526347.db2.gz	MZBQCTDEXANSBN-DPWKNNTCSA-N	0	0	503.374	3.162	50	0		KGAARN
COC(=O)C1=C(C)N=c2s/c(=C\c3c(C)[nH]c4ccccc43)c(=O)n2[C@@H]1c1ccc(OC)cc1OC	ZINC000000687963	551526324	/nfs/dbraw/zinc/52/63/24/551526324.db2.gz	LVIMLOWPSZECOH-RWTNITNYSA-N	0	0	503.580	3.215	50	0		KGAARN
COC(=O)C1=C(C)N=c2s/c(=C\c3c(C)[nH]c4ccccc43)c(=O)n2[C@H]1c1ccc(OC)cc1OC	ZINC000000687966	551526353	/nfs/dbraw/zinc/52/63/53/551526353.db2.gz	LVIMLOWPSZECOH-MFUBYVTQSA-N	0	0	503.580	3.215	50	0		KGAARN
O=C(c1ccc(Cl)cc1)c1c2c(=O)n(-c3ccc(O)cc3)c(=O)c2cc2c(=O)n(-c3ccc(O)cc3)c(=O)c21	ZINC000000692388	551527746	/nfs/dbraw/zinc/52/77/46/551527746.db2.gz	RKRSXZHOQZUTFM-UHFFFAOYSA-N	0	0	538.899	3.186	50	0		KGAARN
COc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4cc5c(cc4C)OCO5)c(=O)n32)cc1	ZINC000000693926	551527965	/nfs/dbraw/zinc/52/79/65/551527965.db2.gz	CGXGRLWJMDOQNA-DKOMQPSQSA-N	0	0	506.580	3.233	50	0		KGAARN
COc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4cc5c(cc4C)OCO5)c(=O)n32)cc1	ZINC000000693931	551528052	/nfs/dbraw/zinc/52/80/52/551528052.db2.gz	CGXGRLWJMDOQNA-IZBTWGKQSA-N	0	0	506.580	3.233	50	0		KGAARN
COc1ccc(Cc2c(C)nc(C)nc2N2CCN(S(=O)(=O)c3ccc(NC(C)=O)cc3)CC2)cc1	ZINC000000694945	551528030	/nfs/dbraw/zinc/52/80/30/551528030.db2.gz	JBNCAWRKIANIRO-UHFFFAOYSA-N	0	0	509.632	3.162	50	0		KGAARN
CC(C)N(CC(=O)Nc1nc(CC(=O)N2CCN(c3ccccc3F)CC2)cs1)C(=O)c1ccco1	ZINC000000698149	551528636	/nfs/dbraw/zinc/52/86/36/551528636.db2.gz	QDWUYZQXBRDKNJ-UHFFFAOYSA-N	0	0	513.595	3.256	50	0		KGAARN
COc1ccccc1N1CCN(C(=O)Cc2csc(NC(=O)CN(C(=O)c3ccccc3)C3CC3)n2)CC1	ZINC000000699358	551528644	/nfs/dbraw/zinc/52/86/44/551528644.db2.gz	LNVASCNQFRJERR-UHFFFAOYSA-N	0	0	533.654	3.286	50	0		KGAARN
COc1ccccc1N1CCN(C(=O)Cc2csc(NC(=O)CN(C(=O)c3ccc(F)cc3)C3CC3)n2)CC1	ZINC000000699403	551528960	/nfs/dbraw/zinc/52/89/60/551528960.db2.gz	DRRBCZXQMNTONO-UHFFFAOYSA-N	0	0	551.644	3.425	50	0		KGAARN
COc1ccc(N(CC(=O)N2CCN(c3ccccc3OC)CC2)S(=O)(=O)c2ccccc2)c(OC)c1	ZINC000000706504	551531295	/nfs/dbraw/zinc/53/12/95/551531295.db2.gz	YNTJQOJGKCUOOP-UHFFFAOYSA-N	0	0	525.627	3.257	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)ccc3O)c(=O)n2[C@H]1c1cc(OC)ccc1OC	ZINC000000706700	551531683	/nfs/dbraw/zinc/53/16/83/551531683.db2.gz	ONQIMTYPLFFMQX-IYMWYRQMSA-N	0	0	559.438	3.284	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)ccc3O)c(=O)n2[C@@H]1c1cc(OC)ccc1OC	ZINC000000706702	551531736	/nfs/dbraw/zinc/53/17/36/551531736.db2.gz	ONQIMTYPLFFMQX-VMOHIOPYSA-N	0	0	559.438	3.284	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)ccc3O)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1	ZINC000000707479	551531648	/nfs/dbraw/zinc/53/16/48/551531648.db2.gz	YUDZXVUFZMRTQX-AFHVAHMMSA-N	0	0	514.987	3.175	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)ccc3O)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1	ZINC000000707481	551531895	/nfs/dbraw/zinc/53/18/95/551531895.db2.gz	YUDZXVUFZMRTQX-ZRELAVNMSA-N	0	0	514.987	3.175	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)ccc3O)c(=O)n2[C@H]1c1cccs1	ZINC000000707483	551531879	/nfs/dbraw/zinc/53/18/79/551531879.db2.gz	LTQINUYSWPSMNB-FJJYYWMZSA-N	0	0	505.415	3.328	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)ccc3O)c(=O)n2[C@@H]1c1cccs1	ZINC000000707485	551531889	/nfs/dbraw/zinc/53/18/89/551531889.db2.gz	LTQINUYSWPSMNB-CFINBHSISA-N	0	0	505.415	3.328	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3c[nH]c4ccccc34)c(=O)n2[C@H]1c1ccc(OC)cc1OC	ZINC000000707832	551531836	/nfs/dbraw/zinc/53/18/36/551531836.db2.gz	VAFSANMHPPZMGH-IZBTWGKQSA-N	0	0	503.580	3.297	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(O)c3)c(=O)n2[C@H]1c1cc(Br)c(OC)cc1OC	ZINC000000708066	551532145	/nfs/dbraw/zinc/53/21/45/551532145.db2.gz	VLTRCYIGAHAPGP-OFHGOEMBSA-N	0	0	559.438	3.284	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(O)c3)c(=O)n2[C@@H]1c1cc(Br)c(OC)cc1OC	ZINC000000708068	551532131	/nfs/dbraw/zinc/53/21/31/551532131.db2.gz	VLTRCYIGAHAPGP-HSELDNCXSA-N	0	0	559.438	3.284	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(O)c(OC)c3)c(=O)n2[C@H]1c1cccc(OC)c1	ZINC000000708763	551532382	/nfs/dbraw/zinc/53/23/82/551532382.db2.gz	UPHOQMBMPCKAGK-RZXXJPOTSA-N	0	0	559.438	3.284	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(O)c(OC)c3)c(=O)n2[C@@H]1c1cccc(OC)c1	ZINC000000708765	551532346	/nfs/dbraw/zinc/53/23/46/551532346.db2.gz	UPHOQMBMPCKAGK-XQJRBFNUSA-N	0	0	559.438	3.284	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N4CCCCC4)o3)c(=O)n2[C@H]1c1cccc(OC)c1	ZINC000000708771	551532379	/nfs/dbraw/zinc/53/23/79/551532379.db2.gz	PAIPNHFAHXJDCO-RTWFUWSXSA-N	0	0	507.612	3.390	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N4CCCCC4)o3)c(=O)n2[C@@H]1c1cccc(OC)c1	ZINC000000708773	551532666	/nfs/dbraw/zinc/53/26/66/551532666.db2.gz	PAIPNHFAHXJDCO-OFVJEAJMSA-N	0	0	507.612	3.390	50	0		KGAARN
COc1ccc(Cl)cc1S(=O)(=O)N1CCCN(S(=O)(=O)c2cc(Cl)ccc2OC)CC1	ZINC000000709579	551532913	/nfs/dbraw/zinc/53/29/13/551532913.db2.gz	VKXVFNRURSIKQD-UHFFFAOYSA-N	0	0	509.433	3.096	50	0		KGAARN
COc1ccccc1N(CCOC(=O)[C@H]1CC(=O)N(c2ccccc2)C1)C1=NS(=O)(=O)c2ccccc21	ZINC000000709807	551532884	/nfs/dbraw/zinc/53/28/84/551532884.db2.gz	YGHGHZJRAUIGRX-IBGZPJMESA-N	0	0	519.579	3.247	50	0		KGAARN
COc1ccccc1N(CCOC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1)C1=NS(=O)(=O)c2ccccc21	ZINC000000709808	551532862	/nfs/dbraw/zinc/53/28/62/551532862.db2.gz	YGHGHZJRAUIGRX-LJQANCHMSA-N	0	0	519.579	3.247	50	0		KGAARN
COc1ccc(-n2c(-c3ccc(Br)cc3)cn3c2nc2c3c(=O)n(C)c(=O)n2C)cc1OC	ZINC000000717716	551534785	/nfs/dbraw/zinc/53/47/85/551534785.db2.gz	QJCZYAIDUJFRKC-UHFFFAOYSA-N	0	0	510.348	3.122	50	0		KGAARN
COc1ccc(CCn2c(-c3ccc(Br)cc3)cn3c2nc2c3c(=O)n(C)c(=O)n2C)cc1OC	ZINC000000718207	551535173	/nfs/dbraw/zinc/53/51/73/551535173.db2.gz	PWBSITIIMHJHHC-UHFFFAOYSA-N	0	0	538.402	3.376	50	0	biogenic	KGAARN
Cn1c2nc(SCC(=O)Nc3ccc(OC(F)(F)F)cc3)n(Cc3ccccc3F)c2c(=O)n(C)c1=O	ZINC000000718482	551535222	/nfs/dbraw/zinc/53/52/22/551535222.db2.gz	VDZRDUZGHBQIFJ-UHFFFAOYSA-N	0	0	537.495	3.251	50	0	biogenic,in-vitro	KGAARN
CCOc1ccc(CCNC(=O)CSc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccccc2Cl)cc1OCC	ZINC000000718557	551535573	/nfs/dbraw/zinc/53/55/73/551535573.db2.gz	MUYOLNPGJSRMIZ-UHFFFAOYSA-N	0	0	586.114	3.384	50	0		KGAARN
Cn1c2nc(SCC(=O)NCCc3ccccc3)n(Cc3ccc(C(C)(C)C)cc3)c2c(=O)n(C)c1=O	ZINC000000718625	551535560	/nfs/dbraw/zinc/53/55/60/551535560.db2.gz	RQLIMVRAHDQVTK-UHFFFAOYSA-N	0	0	519.671	3.231	50	0		KGAARN
CCOc1ccc(CCNC(=O)CSc2nc3c(c(=O)n(Cc4ccccc4Cl)c(=O)n3C)n2C)cc1OCC	ZINC000000719721	551536439	/nfs/dbraw/zinc/53/64/39/551536439.db2.gz	FREFFXLKMPCBOK-UHFFFAOYSA-N	0	0	586.114	3.384	50	0	biogenic	KGAARN
CCOc1ccc(CCn2c(-c3ccc(OC)cc3)cn3c2nc2c3c(=O)n(C)c(=O)n2C)cc1OCC	ZINC000000720432	551537193	/nfs/dbraw/zinc/53/71/93/551537193.db2.gz	YEFFMXGXGJJNMX-UHFFFAOYSA-N	0	0	517.586	3.402	50	0		KGAARN
CCOc1ccc(CCNC(=O)CSc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(C)cc2)cc1OCC	ZINC000000720462	551537163	/nfs/dbraw/zinc/53/71/63/551537163.db2.gz	QLVXAWNXLUXWDQ-UHFFFAOYSA-N	0	0	565.696	3.039	50	0		KGAARN
CCOc1ccc(Cn2c(SCC(=O)Nc3ccc(F)cc3F)nc3c2c(=O)n(C)c(=O)n3C)cc1OCC	ZINC000000720786	551537170	/nfs/dbraw/zinc/53/71/70/551537170.db2.gz	CNJKABHNANGSEK-UHFFFAOYSA-N	0	0	559.595	3.288	50	0		KGAARN
O=C(C[C@H]1C(=O)N(Cc2ccccc2)C(=S)N1NC(=O)c1cccc(F)c1)NCCc1ccccc1	ZINC000000720838	551537195	/nfs/dbraw/zinc/53/71/95/551537195.db2.gz	SULKSJCCHCZTKM-QHCPKHFHSA-N	0	0	504.587	3.217	50	0		KGAARN
O=C(C[C@@H]1C(=O)N(Cc2ccccc2)C(=S)N1NC(=O)c1cccc(F)c1)NCCc1ccccc1	ZINC000000720839	551537161	/nfs/dbraw/zinc/53/71/61/551537161.db2.gz	SULKSJCCHCZTKM-HSZRJFAPSA-N	0	0	504.587	3.217	50	0		KGAARN
O=S(=O)(c1ccc(Cl)cc1)N1CCN(c2nc(N3CCCCC3)nc(N3CCCCC3)n2)CC1	ZINC000000724641	551538064	/nfs/dbraw/zinc/53/80/64/551538064.db2.gz	SCOKIPCKARCMIW-UHFFFAOYSA-N	0	0	506.076	3.017	50	0		KGAARN
Cc1c(NC(=S)N[C@H](NC(=O)c2ccco2)C(Cl)(Cl)Cl)c(=O)n(-c2ccccc2)n1C	ZINC000000725095	551537977	/nfs/dbraw/zinc/53/79/77/551537977.db2.gz	QPKJDLNVFMAUGV-KRWDZBQOSA-N	0	0	502.811	3.490	50	0		KGAARN
Cc1c(NC(=S)N[C@@H](NC(=O)c2ccco2)C(Cl)(Cl)Cl)c(=O)n(-c2ccccc2)n1C	ZINC000000725096	551538022	/nfs/dbraw/zinc/53/80/22/551538022.db2.gz	QPKJDLNVFMAUGV-QGZVFWFLSA-N	0	0	502.811	3.490	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)ccc3OC)c(=O)n2[C@H]1c1ccccc1OCC	ZINC000000726206	551538425	/nfs/dbraw/zinc/53/84/25/551538425.db2.gz	WRAFILZIMLFCKH-FCKOQQNDSA-N	0	0	508.596	3.214	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)ccc3OC)c(=O)n2[C@@H]1c1ccccc1OCC	ZINC000000726208	551538420	/nfs/dbraw/zinc/53/84/20/551538420.db2.gz	WRAFILZIMLFCKH-DLBLZJNESA-N	0	0	508.596	3.214	50	0		KGAARN
CC1=C(C(=O)OC(C)C)[C@@H](c2cn(-c3ccccc3)nc2-c2ccc(S(=O)(=O)N(C)C)cc2)NC(=O)N1	ZINC000000728058	551538888	/nfs/dbraw/zinc/53/88/88/551538888.db2.gz	NBLHYILDNCKWBZ-XMMPIXPASA-N	0	0	523.615	3.369	50	0		KGAARN
CC1=C(C(=O)OC(C)C)[C@H](c2cn(-c3ccccc3)nc2-c2ccc(S(=O)(=O)N(C)C)cc2)NC(=O)N1	ZINC000000728059	551538852	/nfs/dbraw/zinc/53/88/52/551538852.db2.gz	NBLHYILDNCKWBZ-DEOSSOPVSA-N	0	0	523.615	3.369	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC(C)=O)c(OCC)c3)c(=O)n2[C@@H]1c1ccc(C)cc1	ZINC000000728737	551539052	/nfs/dbraw/zinc/53/90/52/551539052.db2.gz	ACGZEKYINYSUFK-XSZPGNIMSA-N	0	0	520.607	3.431	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC(C)=O)c(OCC)c3)c(=O)n2[C@H]1c1ccc(C)cc1	ZINC000000728739	551539016	/nfs/dbraw/zinc/53/90/16/551539016.db2.gz	ACGZEKYINYSUFK-XXMKCSCWSA-N	0	0	520.607	3.431	50	0		KGAARN
CCCS(=O)(=O)c1c2ccc(C(N)=O)cn2c(C(=O)c2ccc(C)cc2C)c1S(=O)(=O)CCC	ZINC000000783596	551542380	/nfs/dbraw/zinc/54/23/80/551542380.db2.gz	NECYMPBFQROXLV-UHFFFAOYSA-N	0	0	504.630	3.253	50	0		KGAARN
COc1ccc(S(=O)(=O)N(CC(=O)N2CCN(c3ccccc3)CC2)Cc2ccccc2)cc1OC	ZINC000000786530	551542633	/nfs/dbraw/zinc/54/26/33/551542633.db2.gz	WBQCBTSKNNOZPC-UHFFFAOYSA-N	0	0	509.628	3.244	50	0		KGAARN
Cc1nn(CC(=O)Nc2cc(-c3nn(C)c(=O)c4ccccc43)ccc2N2CCOCC2)c(=O)c2ccccc12	ZINC000000794518	551542927	/nfs/dbraw/zinc/54/29/27/551542927.db2.gz	AVWMQCNJAQSATE-UHFFFAOYSA-N	0	0	536.592	3.094	50	0		KGAARN
O=C(Nc1ccc(I)cc1)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl	ZINC000000797237	551542970	/nfs/dbraw/zinc/54/29/70/551542970.db2.gz	ZNFZHFZLOOJHOS-UHFFFAOYSA-N	0	0	506.749	3.218	50	0		KGAARN
O=C(Nc1ccc(I)cc1)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1	ZINC000000797251	551542889	/nfs/dbraw/zinc/54/28/89/551542889.db2.gz	JHICYYZJZMMMQY-UHFFFAOYSA-N	0	0	506.749	3.218	50	0		KGAARN
O=c1c2cc3c(cc2c(=O)n1-c1ccc(Br)cc1)c(=O)n(-c1ccc(Br)cc1)c3=O	ZINC000000820919	551544103	/nfs/dbraw/zinc/54/41/03/551544103.db2.gz	RIRDFKCXLAPBCW-UHFFFAOYSA-N	0	0	526.140	3.416	50	0		KGAARN
CCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)c2ccc(Cl)c(S(=O)(=O)N(CC)CC)c2)c1	ZINC000000825798	551544896	/nfs/dbraw/zinc/54/48/96/551544896.db2.gz	RELSNHDKYRILEK-UHFFFAOYSA-N	0	0	523.098	3.234	50	0		KGAARN
Cc1ccc(S(=O)(=O)c2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)cc1S(=O)(=O)N1CCCCC1	ZINC000000826736	551544808	/nfs/dbraw/zinc/54/48/08/551544808.db2.gz	JTNFGVIAFJVOFR-UHFFFAOYSA-N	0	0	540.729	3.485	50	0		KGAARN
Cn1c2nc(SCC(=O)c3ccc(Cl)cc3)n(C[C@H](O)COc3ccc(Cl)cc3)c2c(=O)[nH]c1=O	ZINC000000829844	551545784	/nfs/dbraw/zinc/54/57/84/551545784.db2.gz	FDBPRPIOJHUUEQ-INIZCTEOSA-N	0	0	535.409	3.145	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc4c(cc3Br)OCO4)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1	ZINC000000832615	551546251	/nfs/dbraw/zinc/54/62/51/551546251.db2.gz	WLAQDVPYQDRDGF-WNOXZJQASA-N	0	0	587.448	3.307	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc4c(cc3Br)OCO4)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1	ZINC000000832617	551546305	/nfs/dbraw/zinc/54/63/05/551546305.db2.gz	WLAQDVPYQDRDGF-YVLHRROSSA-N	0	0	587.448	3.307	50	0		KGAARN
Cc1cc(C)cc(NC(=O)[C@H]2CN(S(=O)(=O)c3ccccc3)CCN2S(=O)(=O)c2ccccc2)c1	ZINC000000835597	551546881	/nfs/dbraw/zinc/54/68/81/551546881.db2.gz	APRCMWVAYSJLAU-XMMPIXPASA-N	0	0	513.641	3.006	50	0		KGAARN
Cc1cccc(C)c1NC(=O)[C@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1	ZINC000000835598	551546798	/nfs/dbraw/zinc/54/67/98/551546798.db2.gz	FAAJWGZWOBJUKU-HSZRJFAPSA-N	0	0	513.641	3.006	50	0		KGAARN
Cc1c(Cl)cccc1NC(=O)[C@@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1	ZINC000000835611	551546839	/nfs/dbraw/zinc/54/68/39/551546839.db2.gz	MHHMGFNELRUAJY-QHCPKHFHSA-N	0	0	534.059	3.351	50	0		KGAARN
O=C(Nc1nnc(-c2ccccc2)s1)c1ccc(Br)c(S(=O)(=O)N2CCOCC2)c1	ZINC000000837322	551547087	/nfs/dbraw/zinc/54/70/87/551547087.db2.gz	YHVLKPSZJIEDMD-UHFFFAOYSA-N	0	0	509.407	3.241	50	0		KGAARN
Cc1c(Nc2nc3nonc3nc2Nc2c(C)n(C)n(-c3ccccc3)c2=O)c(=O)n(-c2ccccc2)n1C	ZINC000000837543	551547193	/nfs/dbraw/zinc/54/71/93/551547193.db2.gz	UUFZGULSKFUDMC-UHFFFAOYSA-N	0	0	524.545	3.096	50	0		KGAARN
CCOC(=O)C1=C(N)OC(c2ccccc2)=C(C(=O)OCC)[C@@]12c1cc(Br)ccc1NC2=O	ZINC000000850173	551549732	/nfs/dbraw/zinc/54/97/32/551549732.db2.gz	GVWKUGYZKJPDNY-DEOSSOPVSA-N	0	0	513.344	3.377	50	0		KGAARN
CCOC(=O)C1=C(N)OC(c2ccccc2)=C(C(=O)OCC)[C@]12c1cc(Br)ccc1NC2=O	ZINC000000850174	551549721	/nfs/dbraw/zinc/54/97/21/551549721.db2.gz	GVWKUGYZKJPDNY-XMMPIXPASA-N	0	0	513.344	3.377	50	0		KGAARN
O=S(=O)(NCc1ccc2c(c1)OCO2)c1cccc2c1cccc2S(=O)(=O)NCc1ccc2c(c1)OCO2	ZINC000000852595	551549814	/nfs/dbraw/zinc/54/98/14/551549814.db2.gz	VQZGOUPVHRGLIO-UHFFFAOYSA-N	0	0	554.602	3.254	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)c(Br)c3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2	ZINC000000861901	551551497	/nfs/dbraw/zinc/55/14/97/551551497.db2.gz	UCJKPUXLTNCTCC-OFHGOEMBSA-N	0	0	557.422	3.298	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)c(Br)c3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2	ZINC000000861903	551551560	/nfs/dbraw/zinc/55/15/60/551551560.db2.gz	UCJKPUXLTNCTCC-HSELDNCXSA-N	0	0	557.422	3.298	50	0		KGAARN
O=S(=O)(c1ccc(Br)cc1)N1CCCN(S(=O)(=O)c2ccc(Br)cc2)CC1	ZINC000000863592	551552353	/nfs/dbraw/zinc/55/23/53/551552353.db2.gz	PWRBLSDKRPFMKU-UHFFFAOYSA-N	0	0	538.283	3.297	50	0		KGAARN
COc1ccccc1N(CC(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O)S(=O)(=O)c1ccccc1	ZINC000000868435	551553417	/nfs/dbraw/zinc/55/34/17/551553417.db2.gz	HOIRMKFZNVUCMM-UHFFFAOYSA-N	0	0	506.584	3.327	50	0		KGAARN
O=C(Nc1ccc(Br)cc1)c1ccc(Br)c(S(=O)(=O)N2CCOCC2)c1	ZINC000000888052	551561107	/nfs/dbraw/zinc/56/11/07/551561107.db2.gz	YATUIRZEZCXODU-UHFFFAOYSA-N	0	0	504.200	3.485	50	0		KGAARN
O=S(=O)(c1ccc(S(=O)(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1)N1CCCC1	ZINC000000922814	551577343	/nfs/dbraw/zinc/57/73/43/551577343.db2.gz	XHOPNGHANUZMRP-UHFFFAOYSA-N	0	0	503.568	3.001	50	0		KGAARN
COc1ccc(CN(Cc2ccc(OC)c(OC)c2)S(=O)(=O)c2ccc(S(=O)(=O)N(C)C)cc2)cc1	ZINC000000933225	551585535	/nfs/dbraw/zinc/58/55/35/551585535.db2.gz	WERVQDZITZWYTN-UHFFFAOYSA-N	0	0	534.656	3.354	50	0		KGAARN
COc1cccc(CN(C2CC2)S(=O)(=O)c2ccc(S(=O)(=O)N3CCC[C@H](C)C3)cc2)c1OC	ZINC000000933715	551586124	/nfs/dbraw/zinc/58/61/24/551586124.db2.gz	LOSNOXIUUPUVLR-SFHVURJKSA-N	0	0	508.662	3.478	50	0		KGAARN
COc1cccc(CN(Cc2ccco2)S(=O)(=O)c2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2)c1	ZINC000000933766	551586112	/nfs/dbraw/zinc/58/61/12/551586112.db2.gz	MKMIUYPHHBQWDI-OAQYLSRUSA-N	0	0	520.629	3.137	50	0		KGAARN
COc1cccc(CN(Cc2ccco2)S(=O)(=O)c2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)c1	ZINC000000933767	551586450	/nfs/dbraw/zinc/58/64/50/551586450.db2.gz	MKMIUYPHHBQWDI-NRFANRHFSA-N	0	0	520.629	3.137	50	0		KGAARN
COc1ccc(CN(Cc2ccco2)S(=O)(=O)c2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2)cc1OC	ZINC000000933769	551586434	/nfs/dbraw/zinc/58/64/34/551586434.db2.gz	VEHMVXSISKDVJE-HXUWFJFHSA-N	0	0	550.655	3.145	50	0		KGAARN
COc1ccc(CN(Cc2ccco2)S(=O)(=O)c2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)cc1OC	ZINC000000933771	551586459	/nfs/dbraw/zinc/58/64/59/551586459.db2.gz	VEHMVXSISKDVJE-FQEVSTJZSA-N	0	0	550.655	3.145	50	0		KGAARN
COc1ccccc1NC(=O)[C@H](C)OC(=O)c1ccc2c(c1)C(=O)N(Cc1ccc3c(c1)OCO3)C2=O	ZINC000000937793	551587349	/nfs/dbraw/zinc/58/73/49/551587349.db2.gz	QYAGWVWOTKEQMI-HNNXBMFYSA-N	0	0	502.479	3.404	50	0		KGAARN
COc1ccccc1NC(=O)[C@@H](C)OC(=O)c1ccc2c(c1)C(=O)N(Cc1ccc3c(c1)OCO3)C2=O	ZINC000000937794	551587400	/nfs/dbraw/zinc/58/74/00/551587400.db2.gz	QYAGWVWOTKEQMI-OAHLLOKOSA-N	0	0	502.479	3.404	50	0		KGAARN
C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)Nc3ccc(I)cc3)cc2)C[C@@H](C)O1	ZINC000000939848	551587519	/nfs/dbraw/zinc/58/75/19/551587519.db2.gz	VZQIYAWBGLTDBH-ZIAGYGMSSA-N	0	0	500.358	3.341	50	0		KGAARN
C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)Nc3ccc(I)cc3)cc2)C[C@H](C)O1	ZINC000000939849	551587513	/nfs/dbraw/zinc/58/75/13/551587513.db2.gz	VZQIYAWBGLTDBH-KBPBESRZSA-N	0	0	500.358	3.341	50	0		KGAARN
CCOC(=O)c1ccc(NC(=O)COC(=O)[C@@H](Cc2ccccc2)N2C(=O)c3ccccc3C2=O)cc1	ZINC000000941747	551587906	/nfs/dbraw/zinc/58/79/06/551587906.db2.gz	SYHZDMFRELYPHI-HSZRJFAPSA-N	0	0	500.507	3.253	50	0		KGAARN
CCOC(=O)c1ccc(NC(=O)COC(=O)[C@H](Cc2ccccc2)N2C(=O)c3ccccc3C2=O)cc1	ZINC000000941748	551587832	/nfs/dbraw/zinc/58/78/32/551587832.db2.gz	SYHZDMFRELYPHI-QHCPKHFHSA-N	0	0	500.507	3.253	50	0		KGAARN
COc1cc([C@@H]2NC(=S)N[C@@](O)(C(F)(F)F)C2=C(O)c2ccccc2)cc(Br)c1O	ZINC000000946545	551588487	/nfs/dbraw/zinc/58/84/87/551588487.db2.gz	DSIFNOXVZSIWPY-GLJUWKHASA-N	0	0	505.312	3.432	50	0		KGAARN
O=C1c2sc3nnc(-c4ccccc4)c(=O)n3c2C(=O)N1c1ccc(I)cc1	ZINC000000947637	551588472	/nfs/dbraw/zinc/58/84/72/551588472.db2.gz	XUOSPLJHVCMCOA-UHFFFAOYSA-N	0	0	500.277	3.223	50	0		KGAARN
COc1ccc(S(=O)(=O)N2Cc3ccccc3C[C@H]2C(=O)NCCc2ccc(OC)c(OC)c2)cc1	ZINC000000949159	551588428	/nfs/dbraw/zinc/58/84/28/551588428.db2.gz	MMYOJTWRMJXBED-DEOSSOPVSA-N	0	0	510.612	3.187	50	0		KGAARN
COc1ccc(S(=O)(=O)N2Cc3ccccc3C[C@@H]2C(=O)NCCc2ccc(OC)c(OC)c2)cc1	ZINC000000949161	551588425	/nfs/dbraw/zinc/58/84/25/551588425.db2.gz	MMYOJTWRMJXBED-XMMPIXPASA-N	0	0	510.612	3.187	50	0		KGAARN
CCOC(=O)c1ccc(NC(=O)COC(=O)c2ccc3c(c2)C(=O)N(CCc2ccccc2)C3=O)cc1	ZINC000000950526	551589175	/nfs/dbraw/zinc/58/91/75/551589175.db2.gz	HWDNSBKNLKXKEF-UHFFFAOYSA-N	0	0	500.507	3.498	50	0		KGAARN
O=S(=O)(c1ccccc1C(F)(F)F)N1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1	ZINC000000953449	551589609	/nfs/dbraw/zinc/58/96/09/551589609.db2.gz	KWCQZJXNWPEYSJ-UHFFFAOYSA-N	0	0	502.458	3.419	50	0		KGAARN
COc1ccc(CCNC(=O)Cn2cnc3sc(C(=O)Nc4ccccc4)c(C)c3c2=O)cc1OC	ZINC000000955603	551589601	/nfs/dbraw/zinc/58/96/01/551589601.db2.gz	BBDKIYPULAKXHM-UHFFFAOYSA-N	0	0	506.584	3.395	50	0		KGAARN
COc1ccccc1NC(=O)c1sc2ncn(CC(=O)NCCc3ccc(OC)c(OC)c3)c(=O)c2c1C	ZINC000000955617	551589540	/nfs/dbraw/zinc/58/95/40/551589540.db2.gz	YZGQOIKWMWGEOJ-UHFFFAOYSA-N	0	0	536.610	3.403	50	0		KGAARN
Cc1nn2c(nc1=O)sc(C(=O)Nc1ccccc1Cl)c2C(=O)N1CCN(c2ccccc2)CC1	ZINC000000958658	551589868	/nfs/dbraw/zinc/58/98/68/551589868.db2.gz	ILSCNHVIRPIMED-UHFFFAOYSA-N	0	0	508.991	3.328	50	0		KGAARN
NS(=O)(=O)c1ccc(NC(=O)c2cccc(NC3=C(Cl)C(=O)N(Cc4ccccc4)C3=O)c2)cc1	ZINC000000959976	551590374	/nfs/dbraw/zinc/59/03/74/551590374.db2.gz	XVTAYNAPIJFSHK-UHFFFAOYSA-N	0	0	510.959	3.018	50	0		KGAARN
NS(=O)(=O)c1ccc(NC(=O)c2ccc(NC3=C(Cl)C(=O)N(Cc4ccccc4)C3=O)cc2)cc1	ZINC000000960068	551590398	/nfs/dbraw/zinc/59/03/98/551590398.db2.gz	CNHVPOYANZFEGM-UHFFFAOYSA-N	0	0	510.959	3.018	50	0		KGAARN
CCn1cc(C(=O)NCc2ccccn2)c(=O)c2cc(F)c(N3CCN(C(=O)c4ccco4)CC3)cc21	ZINC000000971080	551590907	/nfs/dbraw/zinc/59/09/07/551590907.db2.gz	WNDDVICQAMELLO-UHFFFAOYSA-N	0	0	503.534	3.041	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(CC)CC)o3)c(=O)n2[C@H]1c1cc(OC)c(OC)c(OC)c1	ZINC000000977270	551591096	/nfs/dbraw/zinc/59/10/96/551591096.db2.gz	CCFYECHRDMABMS-VNSJDZJPSA-N	0	0	555.653	3.263	50	0		KGAARN
COc1ccc(CNC(=O)CN(c2c(C)n(C)n(-c3ccccc3)c2=O)S(=O)(=O)c2ccccc2)cc1	ZINC000000978841	551591473	/nfs/dbraw/zinc/59/14/73/551591473.db2.gz	LOLZJIKTVODTKP-UHFFFAOYSA-N	0	0	520.611	3.005	50	0		KGAARN
CCc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(OC)cc2)cc1)S(C)(=O)=O	ZINC000000980304	551591746	/nfs/dbraw/zinc/59/17/46/551591746.db2.gz	JNVIMTKLNQJBSL-UHFFFAOYSA-N	0	0	517.629	3.463	50	0		KGAARN
CCOc1ccc(N(CC(=O)Nc2cccc(N(C)S(C)(=O)=O)c2)S(=O)(=O)c2ccccc2)cc1	ZINC000000982819	551592236	/nfs/dbraw/zinc/59/22/36/551592236.db2.gz	UNTPLFAHVZNYHT-UHFFFAOYSA-N	0	0	517.629	3.315	50	0		KGAARN
CCOc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(N(C)S(C)(=O)=O)c2)c2ccccc2)cc1	ZINC000000982902	551592251	/nfs/dbraw/zinc/59/22/51/551592251.db2.gz	AECXIPQEPDGSIC-UHFFFAOYSA-N	0	0	517.629	3.315	50	0		KGAARN
COc1ccc(C(=O)Oc2cccc(NC(=O)c3ccc(C)cc3)c2)cc1S(=O)(=O)N1CCOCC1	ZINC000000990808	551593776	/nfs/dbraw/zinc/59/37/76/551593776.db2.gz	CHXGELXJURKWBK-UHFFFAOYSA-N	0	0	510.568	3.496	50	0		KGAARN
O=S(=O)(c1ccc(Oc2cccc(-c3cnc4ccccc4n3)c2)c(S(=O)(=O)N2CCOCC2)c1)N1CCOCC1	ZINC000000991129	551594136	/nfs/dbraw/zinc/59/41/36/551594136.db2.gz	YZXGNVUWZAZEMS-UHFFFAOYSA-N	0	0	596.687	3.131	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC(F)F)cc3)c(=O)n2[C@H]1c1ccc(OC)cc1	ZINC000000997623	551594854	/nfs/dbraw/zinc/59/48/54/551594854.db2.gz	IVOBPAZOPKGVFW-FNGUVFISSA-N	0	0	500.523	3.408	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC(F)F)cc3)c(=O)n2[C@@H]1c1ccc(OC)cc1	ZINC000000997625	551594888	/nfs/dbraw/zinc/59/48/88/551594888.db2.gz	IVOBPAZOPKGVFW-CNSVBDKNSA-N	0	0	500.523	3.408	50	0		KGAARN
Cn1c(Sc2nc3ccccc3n2Cc2cccc(Br)c2)nc2c1c(=O)n(C)c(=O)n2C	ZINC000001001468	551595689	/nfs/dbraw/zinc/59/56/89/551595689.db2.gz	SNNDXNGLXSCBDO-UHFFFAOYSA-N	0	0	511.405	3.282	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N4CCCCC4)o3)c(=O)n2[C@H]1c1ccc(OC)cc1	ZINC000001004891	551595935	/nfs/dbraw/zinc/59/59/35/551595935.db2.gz	LBMMIZVFUFKVHF-RTWFUWSXSA-N	0	0	507.612	3.390	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N4CCCCC4)o3)c(=O)n2[C@@H]1c1ccc(OC)cc1	ZINC000001004893	551596015	/nfs/dbraw/zinc/59/60/15/551596015.db2.gz	LBMMIZVFUFKVHF-OFVJEAJMSA-N	0	0	507.612	3.390	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N(CC)CC)o3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1	ZINC000001005322	551596000	/nfs/dbraw/zinc/59/60/00/551596000.db2.gz	CAVQXNXHTUXJKW-VOZFUJEASA-N	0	0	525.627	3.255	50	0		KGAARN
Cc1cccc(C(=O)Nc2ccc(S(=O)(=O)C[C@@](O)(Cn3cncn3)c3ccc(F)cc3F)cc2)c1	ZINC000001007472	551596187	/nfs/dbraw/zinc/59/61/87/551596187.db2.gz	MFLPMMGGZUZMNJ-VWLOTQADSA-N	0	0	512.538	3.479	50	0		KGAARN
Cc1cccc(C(=O)Nc2ccc(S(=O)(=O)C[C@](O)(Cn3cncn3)c3ccc(F)cc3F)cc2)c1	ZINC000001007473	551596146	/nfs/dbraw/zinc/59/61/46/551596146.db2.gz	MFLPMMGGZUZMNJ-RUZDIDTESA-N	0	0	512.538	3.479	50	0		KGAARN
Cn1c2ccc(/C=C3/SC(=O)N(CC(=O)Nc4ccc(Br)cc4)C3=O)cc2n(C)c1=O	ZINC000001008634	551596461	/nfs/dbraw/zinc/59/64/61/551596461.db2.gz	WXNNMSRUXKRKQK-LICLKQGHSA-N	0	0	501.362	3.315	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(C[C@H]4CCCO4)c3C)c(=O)n2[C@@H]1c1cccc(OC)c1OC	ZINC000001016149	551596971	/nfs/dbraw/zinc/59/69/71/551596971.db2.gz	QCBFVGHLKIMOLI-NZMDFZPBSA-N	0	0	565.692	3.413	50	0		KGAARN
CCC12CN(S(=O)(=O)c3ccc(C)cc3)CC(CC)(CN(S(=O)(=O)c3ccc(C)cc3)C1)C2=O	ZINC000001017239	551596904	/nfs/dbraw/zinc/59/69/04/551596904.db2.gz	WODURAAQMWOJMW-UHFFFAOYSA-N	0	0	504.674	3.374	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(O)c(OC)c3)c(=O)n2[C@H]1c1cccs1	ZINC000001023674	551597306	/nfs/dbraw/zinc/59/73/06/551597306.db2.gz	NHNLKIBFKVAJTF-FJJYYWMZSA-N	0	0	535.441	3.337	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(O)c(OC)c3)c(=O)n2[C@@H]1c1cccs1	ZINC000001023678	551597198	/nfs/dbraw/zinc/59/71/98/551597198.db2.gz	NHNLKIBFKVAJTF-CFINBHSISA-N	0	0	535.441	3.337	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(O)c(OC)c3)c(=O)n2[C@H]1c1cccs1	ZINC000001023686	551597535	/nfs/dbraw/zinc/59/75/35/551597535.db2.gz	UOQLHWUVPHZXHQ-FJJYYWMZSA-N	0	0	582.441	3.179	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(O)c(OC)c3)c(=O)n2[C@@H]1c1cccs1	ZINC000001023690	551597500	/nfs/dbraw/zinc/59/75/00/551597500.db2.gz	UOQLHWUVPHZXHQ-CFINBHSISA-N	0	0	582.441	3.179	50	0		KGAARN
CC(=O)Nc1ccc(S(=O)(=O)N(c2ccc(F)cc2F)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1	ZINC000001027241	551598004	/nfs/dbraw/zinc/59/80/04/551598004.db2.gz	OUFCTYITTWHLPN-UHFFFAOYSA-N	0	0	523.539	3.466	50	0		KGAARN
COC(=O)c1cnc(N2CCCN(S(=O)(=O)c3ccc(C(F)(F)F)cc3)CC2)nc1C(F)(F)F	ZINC000001032154	551598136	/nfs/dbraw/zinc/59/81/36/551598136.db2.gz	VEIKGDIUELZVIB-UHFFFAOYSA-N	0	0	512.432	3.202	50	0		KGAARN
O=C1CC2(CCCC2)C(=O)N1c1ccc(S(=O)(=O)N2CCN(c3nccc(C(F)(F)F)n3)CC2)cc1Cl	ZINC000001048414	551599376	/nfs/dbraw/zinc/59/93/76/551599376.db2.gz	QVZMSQCFPMLPHT-UHFFFAOYSA-N	0	0	557.982	3.483	50	0		KGAARN
CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(N3C(=O)CC4(CCCC4)C3=O)c(Cl)c2)CC1	ZINC000001048472	551599363	/nfs/dbraw/zinc/59/93/63/551599363.db2.gz	AIMVCXFFDRGLFC-UHFFFAOYSA-N	0	0	512.028	3.405	50	0		KGAARN
COc1cc(OC)c(S(=O)(=O)N(C)Cc2ccccc2)cc1S(=O)(=O)N(C)Cc1ccccc1	ZINC000001050082	551599692	/nfs/dbraw/zinc/59/96/92/551599692.db2.gz	MKNRVGCSHNNVRS-UHFFFAOYSA-N	0	0	504.630	3.345	50	0		KGAARN
Cc1ccc(S(=O)(=O)NCc2nnc(NC(=O)c3ccccc3I)s2)cc1	ZINC000001057424	551600327	/nfs/dbraw/zinc/60/03/27/551600327.db2.gz	RVUOAMROJLFZLR-UHFFFAOYSA-N	0	0	514.370	3.182	50	0		KGAARN
CCN(CC)S(=O)(=O)c1cc(S(=O)(=O)c2ccc(C)c(S(=O)(=O)N(CC)CC)c2)ccc1C	ZINC000001057871	551600304	/nfs/dbraw/zinc/60/03/04/551600304.db2.gz	NASVFFHOOCNGHI-UHFFFAOYSA-N	0	0	516.707	3.197	50	0		KGAARN
Cc1c(NS(=O)(=O)c2ccc(CN3C(=O)c4ccccc4C3=O)cc2)c(=O)n(-c2ccccc2)n1C	ZINC000001057908	551600374	/nfs/dbraw/zinc/60/03/74/551600374.db2.gz	QMAHIDSKQRRQGX-UHFFFAOYSA-N	0	0	502.552	3.081	50	0		KGAARN
CN1C(=O)N(C)[C@@]2(c3ccccc3)Nn3c(=O)/c(=C/c4ccc(Br)cc4)sc3=N[C@@]12c1ccccc1	ZINC000001060140	551600864	/nfs/dbraw/zinc/60/08/64/551600864.db2.gz	HEZFZRZDWSGYCE-COIWSGPDSA-N	0	0	560.477	3.381	50	0		KGAARN
COc1ccc(N(CC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)S(=O)(=O)c2ccccc2)cc1	ZINC000001060702	551600878	/nfs/dbraw/zinc/60/08/78/551600878.db2.gz	UKJNMKSBILDPLH-UHFFFAOYSA-N	0	0	506.584	3.327	50	0		KGAARN
COc1cc(C2N(S(=O)(=O)c3ccc(C)cc3)CCN2S(=O)(=O)c2ccc(C)cc2)ccc1O	ZINC000001061983	551601173	/nfs/dbraw/zinc/60/11/73/551601173.db2.gz	WTQSURWJVDWURX-UHFFFAOYSA-N	0	0	502.614	3.412	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(O)cc3)c(=O)n2[C@H]1c1cc(OC)c(OC)cc1Br	ZINC000001062303	551601108	/nfs/dbraw/zinc/60/11/08/551601108.db2.gz	FOYKNLAJPADWLF-OFHGOEMBSA-N	0	0	559.438	3.284	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(O)cc3)c(=O)n2[C@@H]1c1cc(OC)c(OC)cc1Br	ZINC000001062308	551601167	/nfs/dbraw/zinc/60/11/67/551601167.db2.gz	FOYKNLAJPADWLF-HSELDNCXSA-N	0	0	559.438	3.284	50	0		KGAARN
COc1ccc(OC[C@H](CN(C)C2=NS(=O)(=O)c3ccccc32)OC(=O)c2ccc(OC)cc2)cc1	ZINC000001064149	551601514	/nfs/dbraw/zinc/60/15/14/551601514.db2.gz	GIAJSUIOBGOGDT-QFIPXVFZSA-N	0	0	510.568	3.389	50	0		KGAARN
COc1ccc(OC[C@@H](CN(C)C2=NS(=O)(=O)c3ccccc32)OC(=O)c2ccc(OC)cc2)cc1	ZINC000001064151	551601432	/nfs/dbraw/zinc/60/14/32/551601432.db2.gz	GIAJSUIOBGOGDT-JOCHJYFZSA-N	0	0	510.568	3.389	50	0		KGAARN
Cc1ccc(S(=O)(=O)N(C[C@H](O)CN2C(=O)NC(C)(C)C2=O)c2cc(Cl)ccc2Cl)cc1	ZINC000001068289	551602144	/nfs/dbraw/zinc/60/21/44/551602144.db2.gz	RIQCCWPBYSREMA-OAHLLOKOSA-N	0	0	500.404	3.188	50	0		KGAARN
Cc1ccc(S(=O)(=O)N(C[C@@H](O)CN2C(=O)NC(C)(C)C2=O)c2cc(Cl)ccc2Cl)cc1	ZINC000001068292	551602197	/nfs/dbraw/zinc/60/21/97/551602197.db2.gz	RIQCCWPBYSREMA-HNNXBMFYSA-N	0	0	500.404	3.188	50	0		KGAARN
Cc1c(NC(=O)CCS(=O)(=O)c2nc(-c3ccc4c(c3)OCO4)cc(C(F)(F)F)n2)c(=O)n(-c2ccccc2)n1C	ZINC000001069910	551602593	/nfs/dbraw/zinc/60/25/93/551602593.db2.gz	DQRUZBREGABAIG-UHFFFAOYSA-N	0	0	589.552	3.491	50	0		KGAARN
Cc1cc(C)c(NC(=O)[C@@H](CCS(C)(=O)=O)N2C(=O)c3ccc(Br)cc3C2=O)c(C)c1	ZINC000001070803	551602893	/nfs/dbraw/zinc/60/28/93/551602893.db2.gz	NWQFWRKMVBPVBC-GOSISDBHSA-N	0	0	507.406	3.412	50	0		KGAARN
Cc1cc(C)c(NC(=O)[C@H](CCS(C)(=O)=O)N2C(=O)c3ccc(Br)cc3C2=O)c(C)c1	ZINC000001070804	551602909	/nfs/dbraw/zinc/60/29/09/551602909.db2.gz	NWQFWRKMVBPVBC-SFHVURJKSA-N	0	0	507.406	3.412	50	0		KGAARN
COC(=O)c1ccccc1NC(=O)CSc1nnc(CNC(=O)c2ccc(Br)cc2)n1C	ZINC000001079546	551605566	/nfs/dbraw/zinc/60/55/66/551605566.db2.gz	KFLYDNXXECKOGH-UHFFFAOYSA-N	0	0	518.393	3.025	50	0		KGAARN
COC(=O)c1ccc(COc2ccc(-c3nnn(CC(=O)Nc4ccc(C(=O)OC)cc4)n3)cc2)cc1	ZINC000001080544	551605574	/nfs/dbraw/zinc/60/55/74/551605574.db2.gz	LYXBSAHCZPFPOP-UHFFFAOYSA-N	0	0	501.499	3.131	50	0		KGAARN
Cn1c2nc(SCC(=O)Nc3ccc(F)cc3F)n(Cc3ccc(Cl)cc3)c2c(=O)n(C)c1=O	ZINC000001080857	551605950	/nfs/dbraw/zinc/60/59/50/551605950.db2.gz	LGVIDUIFPJCLQV-UHFFFAOYSA-N	0	0	505.934	3.144	50	0		KGAARN
COc1ccc(OCCN2C(=O)C[C@@H]([C@@H]3C=C(C)C4=C(C3)C(=O)N(CCOc3ccc(OC)cc3)C4=O)C2=O)cc1	ZINC000001084510	551606266	/nfs/dbraw/zinc/60/62/66/551606266.db2.gz	KLTPJRDNUPOVMW-NLFFAJNJSA-N	0	0	560.603	3.168	50	0		KGAARN
COc1ccc(OCCN2C(=O)C[C@@H]([C@H]3C=C(C)C4=C(C3)C(=O)N(CCOc3ccc(OC)cc3)C4=O)C2=O)cc1	ZINC000001084511	551606195	/nfs/dbraw/zinc/60/61/95/551606195.db2.gz	KLTPJRDNUPOVMW-CPJSRVTESA-N	0	0	560.603	3.168	50	0		KGAARN
CCN(CC)S(=O)(=O)c1ccc(OC)c(-c2nnc(-c3cc(S(=O)(=O)N(CC)CC)ccc3OC)o2)c1	ZINC000001087522	551606650	/nfs/dbraw/zinc/60/66/50/551606650.db2.gz	BBWXFCFRNXCHNM-UHFFFAOYSA-N	0	0	552.675	3.482	50	0		KGAARN
CCOC(=O)c1c(NC(=O)c2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)sc2c1CCCC2	ZINC000001089449	551606996	/nfs/dbraw/zinc/60/69/96/551606996.db2.gz	UFNQWQKCTSKZJT-UHFFFAOYSA-N	0	0	508.618	3.085	50	0		KGAARN
NS(=O)(=O)c1ccc(NC(=O)CN(Cc2ccc(Cl)cc2Cl)S(=O)(=O)c2ccccc2)cc1	ZINC000001093553	551607291	/nfs/dbraw/zinc/60/72/91/551607291.db2.gz	GVYRQYMGBDCNFB-UHFFFAOYSA-N	0	0	528.439	3.470	50	0		KGAARN
CCCS(=O)(=O)c1c(C(=O)c2ccc(Br)cc2)n2cccc(C(N)=O)c2c1S(=O)(=O)CCC	ZINC000001097715	551608011	/nfs/dbraw/zinc/60/80/11/551608011.db2.gz	HJCCESGEXDUIHT-UHFFFAOYSA-N	0	0	555.472	3.399	50	0		KGAARN
COc1ccc(Br)cc1S(=O)(=O)N1CCCN(S(=O)(=O)c2cc(Br)ccc2OC)CC1	ZINC000001102553	551608933	/nfs/dbraw/zinc/60/89/33/551608933.db2.gz	OFEXMALLLAOAAT-UHFFFAOYSA-N	0	0	598.335	3.314	50	0		KGAARN
COc1cc(Cl)ccc1S(=O)(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2OC)[C@H](C)C1	ZINC000001102711	551608885	/nfs/dbraw/zinc/60/88/85/551608885.db2.gz	FMBWPAVAQCDLIQ-CYBMUJFWSA-N	0	0	509.433	3.094	50	0		KGAARN
COc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc3c(c2)OCO3)c2ccc(F)cc2)cc1OC	ZINC000001105579	551609800	/nfs/dbraw/zinc/60/98/00/551609800.db2.gz	XRNFAGKLXHJZNU-UHFFFAOYSA-N	0	0	502.520	3.083	50	0		KGAARN
Cn1c(=O)cc(NC(=O)CSc2nnc(COc3ccc(Cl)c(Cl)c3)n2-c2ccccc2)n(C)c1=O	ZINC000001107095	551610517	/nfs/dbraw/zinc/61/05/17/551610517.db2.gz	GZCRDMHNGVQZAO-UHFFFAOYSA-N	0	0	547.424	3.281	50	0		KGAARN
Cc1c(NC(=O)CN(c2ccc3c(c2)OCCO3)S(=O)(=O)c2ccccc2)c(=O)n(-c2ccccc2)n1C	ZINC000001108727	551610775	/nfs/dbraw/zinc/61/07/75/551610775.db2.gz	FLYHMCGJMCILNO-UHFFFAOYSA-N	0	0	534.594	3.090	50	0		KGAARN
COc1cc(S(=O)(=O)N2CCCN(S(=O)(=O)c3cc(OC)c(Cl)cc3OC)CC2)c(OC)cc1Cl	ZINC000001109494	551610680	/nfs/dbraw/zinc/61/06/80/551610680.db2.gz	GIKNUPOSGVOZBL-UHFFFAOYSA-N	0	0	569.485	3.113	50	0		KGAARN
Cc1ccc(Cl)cc1N(CC(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)S(C)(=O)=O	ZINC000001109774	551611026	/nfs/dbraw/zinc/61/10/26/551611026.db2.gz	RBJAMRASOQYQAH-UHFFFAOYSA-N	0	0	500.042	3.228	50	0		KGAARN
O=C(CSc1nnc(CN2CCOCC2)n1-c1ccccc1)Nc1ccc(I)cc1	ZINC000001109915	551611077	/nfs/dbraw/zinc/61/10/77/551611077.db2.gz	PXUVLZUNACJIAB-UHFFFAOYSA-N	0	0	535.411	3.435	50	0		KGAARN
O=C(CCC(=O)OCc1ccc(S(=O)(=O)N2CCOCC2)cc1)Nc1ccc(Br)c2cccnc12	ZINC000001111194	551611384	/nfs/dbraw/zinc/61/13/84/551611384.db2.gz	JSBHYOFNRXMLKM-UHFFFAOYSA-N	0	0	562.442	3.480	50	0		KGAARN
CCOc1cc(C(=S)N2C[C@@H](C)O[C@@H](C)C2)cc(I)c1OCC(=O)N1CCCC1	ZINC000001114497	551611739	/nfs/dbraw/zinc/61/17/39/551611739.db2.gz	ADAYEUIRGTUQAC-GASCZTMLSA-N	0	0	532.444	3.476	50	0		KGAARN
CCOc1cc(C(=S)N2C[C@@H](C)O[C@H](C)C2)cc(I)c1OCC(=O)N1CCCC1	ZINC000001114499	551611767	/nfs/dbraw/zinc/61/17/67/551611767.db2.gz	ADAYEUIRGTUQAC-HUUCEWRRSA-N	0	0	532.444	3.476	50	0		KGAARN
CCOc1cc(C(=S)N2C[C@H](C)O[C@@H](C)C2)cc(I)c1OCC(=O)N1CCCC1	ZINC000001114500	551611790	/nfs/dbraw/zinc/61/17/90/551611790.db2.gz	ADAYEUIRGTUQAC-GJZGRUSLSA-N	0	0	532.444	3.476	50	0		KGAARN
CCOc1cc(C(=S)N2CCC(C)CC2)cc(I)c1OCC(=O)N1CCOCC1	ZINC000001114603	551611773	/nfs/dbraw/zinc/61/17/73/551611773.db2.gz	PUMFQXUEWVWHHV-UHFFFAOYSA-N	0	0	532.444	3.335	50	0		KGAARN
Cc1cc(=O)oc2cc(OC(=O)[C@@H](CCS(C)(=O)=O)N3C(=O)c4cc(Cl)c(Cl)cc4C3=O)ccc12	ZINC000001115935	551611938	/nfs/dbraw/zinc/61/19/38/551611938.db2.gz	KAGALMWUCVMMKR-GOSISDBHSA-N	0	0	538.361	3.413	50	0		KGAARN
Cc1cc(=O)oc2cc(OC(=O)[C@H](CCS(C)(=O)=O)N3C(=O)c4cc(Cl)c(Cl)cc4C3=O)ccc12	ZINC000001115937	551611975	/nfs/dbraw/zinc/61/19/75/551611975.db2.gz	KAGALMWUCVMMKR-SFHVURJKSA-N	0	0	538.361	3.413	50	0		KGAARN
O=C(COc1ccc(I)cc1)Nc1cccc(C(=O)NN2C(=O)c3ccccc3C2=O)c1	ZINC000001116125	551611967	/nfs/dbraw/zinc/61/19/67/551611967.db2.gz	UITRLLVYMFMJTL-UHFFFAOYSA-N	0	0	541.301	3.250	50	0		KGAARN
COc1ccc(N(CC(=O)Nc2cccc(N(C)S(C)(=O)=O)c2)S(=O)(=O)c2ccc(F)cc2)cc1	ZINC000001117823	551612350	/nfs/dbraw/zinc/61/23/50/551612350.db2.gz	QLGZCBGNZMUFPY-UHFFFAOYSA-N	0	0	521.592	3.064	50	0		KGAARN
COC(=O)COc1c(Br)cc([C@H]2NC(=S)NC(C)=C2C(=O)NCc2ccccc2)cc1OC	ZINC000001118323	551612528	/nfs/dbraw/zinc/61/25/28/551612528.db2.gz	FLQZIXHGHHULNR-HXUWFJFHSA-N	0	0	534.432	3.119	50	0		KGAARN
COC(=O)COc1c(Br)cc([C@@H]2NC(=S)NC(C)=C2C(=O)NCc2ccccc2)cc1OC	ZINC000001118325	551612425	/nfs/dbraw/zinc/61/24/25/551612425.db2.gz	FLQZIXHGHHULNR-FQEVSTJZSA-N	0	0	534.432	3.119	50	0		KGAARN
COc1ccc(Cl)cc1N(CC(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1)S(C)(=O)=O	ZINC000001119053	551612433	/nfs/dbraw/zinc/61/24/33/551612433.db2.gz	LUPKPKMBZHYVNJ-UHFFFAOYSA-N	0	0	530.068	3.318	50	0		KGAARN
COC(=O)c1ccc(C(=O)OC)c(NC(=O)CN(c2cc(C(F)(F)F)ccc2Cl)S(C)(=O)=O)c1	ZINC000001119200	551612483	/nfs/dbraw/zinc/61/24/83/551612483.db2.gz	WGKXYESEOJKYNP-UHFFFAOYSA-N	0	0	522.885	3.337	50	0		KGAARN
Cc1ccccc1CN(c1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1)S(C)(=O)=O	ZINC000001119591	551612779	/nfs/dbraw/zinc/61/27/79/551612779.db2.gz	RCWWHXZYHFPRJZ-UHFFFAOYSA-N	0	0	543.667	3.234	50	0		KGAARN
Cn1c(CC(=O)Nc2ccccc2)nnc1SCC(=O)Nc1ccc(I)cc1	ZINC000001119703	551612789	/nfs/dbraw/zinc/61/27/89/551612789.db2.gz	HXRYFJVGIVKVBF-UHFFFAOYSA-N	0	0	507.357	3.332	50	0		KGAARN
CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1ccc(I)cc1	ZINC000001120253	551612809	/nfs/dbraw/zinc/61/28/09/551612809.db2.gz	UXLMHHXOUQBLDP-UHFFFAOYSA-N	0	0	591.493	3.261	50	0		KGAARN
COc1ccc(N(CC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)S(=O)(=O)c2ccc(F)cc2)cc1	ZINC000001121342	551613014	/nfs/dbraw/zinc/61/30/14/551613014.db2.gz	BDXMUGDIIFNXLX-UHFFFAOYSA-N	0	0	524.574	3.466	50	0		KGAARN
COc1ccc(Cl)cc1NC(=O)CSc1nnc(CNC(=O)c2ccc(OC)c(OC)c2)n1C	ZINC000001122181	551612998	/nfs/dbraw/zinc/61/29/98/551612998.db2.gz	CXYWRKBCSSTXGH-UHFFFAOYSA-N	0	0	505.984	3.155	50	0		KGAARN
CCOc1cc([C@@H]2NC(=S)NC(C)=C2C(=O)Nc2cccc(C(F)(F)F)c2)ccc1OCC(N)=O	ZINC000001126842	551614293	/nfs/dbraw/zinc/61/42/93/551614293.db2.gz	UEHPPLSYYZQJKT-FQEVSTJZSA-N	0	0	508.522	3.400	50	0		KGAARN
CCOc1cc([C@H]2NC(=S)NC(C)=C2C(=O)Nc2cccc(C(F)(F)F)c2)ccc1OCC(N)=O	ZINC000001126844	551614257	/nfs/dbraw/zinc/61/42/57/551614257.db2.gz	UEHPPLSYYZQJKT-HXUWFJFHSA-N	0	0	508.522	3.400	50	0		KGAARN
COc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(N(C)S(C)(=O)=O)c2)c2ccc(C)cc2)cc1OC	ZINC000001127005	551614315	/nfs/dbraw/zinc/61/43/15/551614315.db2.gz	DIYGGYKQIUUBOJ-UHFFFAOYSA-N	0	0	547.655	3.242	50	0		KGAARN
COc1ccc(C)cc1N(CC(=O)Nc1cccc(N(C)S(C)(=O)=O)c1)S(=O)(=O)c1ccccc1	ZINC000001127190	551614416	/nfs/dbraw/zinc/61/44/16/551614416.db2.gz	CSPZKDIYGLOYHE-UHFFFAOYSA-N	0	0	517.629	3.233	50	0		KGAARN
O=C(COc1ccc(N2C[C@@H](C(=O)NCc3ccc4c(c3)OCO4)CC2=O)cc1)Nc1ccccc1F	ZINC000001127440	551614468	/nfs/dbraw/zinc/61/44/68/551614468.db2.gz	IUVBAIQROXKTBB-SFHVURJKSA-N	0	0	505.502	3.241	50	0		KGAARN
COc1ccc(S(=O)(=O)N(CC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c2ccccc2)cc1OC	ZINC000001129194	551615087	/nfs/dbraw/zinc/61/50/87/551615087.db2.gz	IQOWILCBAJMHHK-UHFFFAOYSA-N	0	0	536.610	3.336	50	0		KGAARN
Cc1c(NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc3c(c2)OCCO3)c(=O)n(-c2ccccc2)n1C	ZINC000001129421	551615420	/nfs/dbraw/zinc/61/54/20/551615420.db2.gz	QJGMNCGLFJODSZ-UHFFFAOYSA-N	0	0	552.584	3.229	50	0		KGAARN
COc1ccc(OC)c(NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc3c(c2)OCCO3)c1	ZINC000001134527	551616270	/nfs/dbraw/zinc/61/62/70/551616270.db2.gz	XSXODDNMGFAFIW-UHFFFAOYSA-N	0	0	502.520	3.448	50	0		KGAARN
COc1cccc(N(CC(=O)Nc2cccc(N(C)S(C)(=O)=O)c2)S(=O)(=O)c2ccc(C)cc2)c1	ZINC000001139638	551616601	/nfs/dbraw/zinc/61/66/01/551616601.db2.gz	NZWWQAJTMIIXKN-UHFFFAOYSA-N	0	0	517.629	3.233	50	0		KGAARN
CCc1ccc(N(CC(=O)Nc2cccc(N(C)S(C)(=O)=O)c2)S(=O)(=O)c2ccccc2)cc1	ZINC000001139671	551616555	/nfs/dbraw/zinc/61/65/55/551616555.db2.gz	MWTDLQZZUSBIJP-UHFFFAOYSA-N	0	0	501.630	3.479	50	0		KGAARN
Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(N(C)S(C)(=O)=O)c2)c2ccc(F)cc2)cc1	ZINC000001139981	551616926	/nfs/dbraw/zinc/61/69/26/551616926.db2.gz	NKBNWLVDMJLXRA-UHFFFAOYSA-N	0	0	505.593	3.364	50	0		KGAARN
CN(c1cccc(NC(=O)CN(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)c1)S(C)(=O)=O	ZINC000001141768	551617389	/nfs/dbraw/zinc/61/73/89/551617389.db2.gz	VZXYPEPHSUYYSD-UHFFFAOYSA-N	0	0	503.602	3.279	50	0		KGAARN
COc1ccc(N(CC(=O)Nc2cccc(N(C)S(C)(=O)=O)c2)S(=O)(=O)c2ccc(C)cc2)c(OC)c1	ZINC000001141886	551617384	/nfs/dbraw/zinc/61/73/84/551617384.db2.gz	CIMFGDMGDBKXMR-UHFFFAOYSA-N	0	0	547.655	3.242	50	0		KGAARN
CS(=O)(=O)N(CC(=O)Nc1ccccc1C(=O)NCc1ccco1)c1ccc(I)cc1	ZINC000001141986	551617397	/nfs/dbraw/zinc/61/73/97/551617397.db2.gz	CKVPOBVHECPDJU-UHFFFAOYSA-N	0	0	553.378	3.219	50	0		KGAARN
Cc1ccc(Cl)cc1N1CCN(C(=O)CN(c2ccc(I)cc2)S(C)(=O)=O)CC1	ZINC000001142001	551617403	/nfs/dbraw/zinc/61/74/03/551617403.db2.gz	FALNHHCZTDYLKV-UHFFFAOYSA-N	0	0	547.846	3.368	50	0		KGAARN
COC(=O)c1ccc(NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1	ZINC000001142010	551617399	/nfs/dbraw/zinc/61/73/99/551617399.db2.gz	VJPBKQKDRHNRMZ-UHFFFAOYSA-N	0	0	502.520	3.464	50	0		KGAARN
CC(C)CNC(=O)c1ccccc1NC(=O)CN(c1ccc(I)cc1)S(C)(=O)=O	ZINC000001142021	551617391	/nfs/dbraw/zinc/61/73/91/551617391.db2.gz	FMQXBJLZUAKUNX-UHFFFAOYSA-N	0	0	529.400	3.082	50	0		KGAARN
CCc1ccccc1N(CC(=O)Nc1cccc(N(C)S(C)(=O)=O)c1)S(=O)(=O)c1ccccc1	ZINC000001142035	551617379	/nfs/dbraw/zinc/61/73/79/551617379.db2.gz	FRSMTGJDVGVAQU-UHFFFAOYSA-N	0	0	501.630	3.479	50	0		KGAARN
COC(=O)c1ccccc1NC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2	ZINC000001142090	551617603	/nfs/dbraw/zinc/61/76/03/551617603.db2.gz	SMXVRAXMICEEKD-UHFFFAOYSA-N	0	0	500.504	3.218	50	0		KGAARN
CC[C@@H](C)NC(=O)c1ccccc1NC(=O)CN(c1ccc(I)cc1)S(C)(=O)=O	ZINC000001143977	551618014	/nfs/dbraw/zinc/61/80/14/551618014.db2.gz	JJBGDHVLCYFMFD-CQSZACIVSA-N	0	0	529.400	3.224	50	0		KGAARN
CC[C@H](C)NC(=O)c1ccccc1NC(=O)CN(c1ccc(I)cc1)S(C)(=O)=O	ZINC000001143978	551618001	/nfs/dbraw/zinc/61/80/01/551618001.db2.gz	JJBGDHVLCYFMFD-AWEZNQCLSA-N	0	0	529.400	3.224	50	0		KGAARN
COc1ccc(N(CC(=O)Nc2cccc(N(C)S(C)(=O)=O)c2)S(=O)(=O)c2ccc(C)cc2)cc1	ZINC000001144058	551617966	/nfs/dbraw/zinc/61/79/66/551617966.db2.gz	QYTGEPYZVMPZJC-UHFFFAOYSA-N	0	0	517.629	3.233	50	0		KGAARN
COc1ccc(NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc3c(c2)OCCO3)c(OC)c1	ZINC000001144157	551617957	/nfs/dbraw/zinc/61/79/57/551617957.db2.gz	MJLIFMMPJNJMHG-UHFFFAOYSA-N	0	0	502.520	3.448	50	0		KGAARN
COc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(N(C)S(C)(=O)=O)c2)c2ccc(C)cc2)cc1	ZINC000001145010	551618135	/nfs/dbraw/zinc/61/81/35/551618135.db2.gz	NOVDLGPHZIEJKK-UHFFFAOYSA-N	0	0	517.629	3.233	50	0		KGAARN
COC(=O)c1ccccc1NC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1	ZINC000001145401	551618108	/nfs/dbraw/zinc/61/81/08/551618108.db2.gz	XCOAWWAVWWYIJL-UHFFFAOYSA-N	0	0	502.520	3.464	50	0		KGAARN
CS(=O)(=O)N(CC(=O)Nc1ccccc1C(=O)NCc1ccco1)c1ccccc1Br	ZINC000001145487	551618115	/nfs/dbraw/zinc/61/81/15/551618115.db2.gz	HFKRDOUULHGILL-UHFFFAOYSA-N	0	0	506.378	3.377	50	0		KGAARN
COc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1)S(C)(=O)=O	ZINC000001146781	551618504	/nfs/dbraw/zinc/61/85/04/551618504.db2.gz	SFOMFMINXXWEMF-UHFFFAOYSA-N	0	0	507.565	3.040	50	0		KGAARN
COC(=O)c1ccc(NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc3c(c2)OCCO3)cc1	ZINC000001146821	551618497	/nfs/dbraw/zinc/61/84/97/551618497.db2.gz	ZCYFRPLRPOYPAM-UHFFFAOYSA-N	0	0	500.504	3.218	50	0		KGAARN
COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3cccc(C)c3)cc2)S(C)(=O)=O)cc1	ZINC000001146913	551618524	/nfs/dbraw/zinc/61/85/24/551618524.db2.gz	LPTKVCDWNCNGQN-UHFFFAOYSA-N	0	0	503.602	3.209	50	0		KGAARN
CCOc1ccccc1N(CC(=O)Nc1cccc(N(C)S(C)(=O)=O)c1)S(=O)(=O)c1ccccc1	ZINC000001148551	551618757	/nfs/dbraw/zinc/61/87/57/551618757.db2.gz	LRUAUARDDGZKCJ-UHFFFAOYSA-N	0	0	517.629	3.315	50	0		KGAARN
COc1ccc(OC)c(N(CC(=O)Nc2ccc(I)cc2C)S(C)(=O)=O)c1	ZINC000001148676	551619110	/nfs/dbraw/zinc/61/91/10/551619110.db2.gz	PSCBTRVPUOLYAK-UHFFFAOYSA-N	0	0	504.346	3.022	50	0		KGAARN
Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(N(C)S(C)(=O)=O)c2)c2ccccc2F)cc1	ZINC000001148745	551619041	/nfs/dbraw/zinc/61/90/41/551619041.db2.gz	HQGVKEJSSMYIFI-UHFFFAOYSA-N	0	0	505.593	3.364	50	0		KGAARN
CCOc1ccc(N[C@H](NC(=O)CN2C(=O)c3ccccc3S2(=O)=O)C(Cl)(Cl)Cl)cc1	ZINC000001168216	551620186	/nfs/dbraw/zinc/62/01/86/551620186.db2.gz	KDDAGJYCHSZTFB-GOSISDBHSA-N	0	0	506.795	3.154	50	0		KGAARN
CCOc1ccc(N[C@@H](NC(=O)CN2C(=O)c3ccccc3S2(=O)=O)C(Cl)(Cl)Cl)cc1	ZINC000001168217	551620178	/nfs/dbraw/zinc/62/01/78/551620178.db2.gz	KDDAGJYCHSZTFB-SFHVURJKSA-N	0	0	506.795	3.154	50	0		KGAARN
Cc1c(Cl)cccc1N(CC(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)S(C)(=O)=O	ZINC000001173987	551620422	/nfs/dbraw/zinc/62/04/22/551620422.db2.gz	YROIWWFSSZSTNE-UHFFFAOYSA-N	0	0	500.042	3.228	50	0		KGAARN
COc1ccc(NC(=O)Cn2nc(-c3ccc(C)c(S(=O)(=O)N(C)C)c3)c3ccccc3c2=O)cc1	ZINC000001178360	551620705	/nfs/dbraw/zinc/62/07/05/551620705.db2.gz	VKJOTHACWYHSJI-UHFFFAOYSA-N	0	0	506.584	3.270	50	0		KGAARN
O=C(CN1C(=O)c2ccccc2S1(=O)=O)N[C@H](Nc1ccc(I)cc1)C(Cl)(Cl)Cl	ZINC000001182208	551620868	/nfs/dbraw/zinc/62/08/68/551620868.db2.gz	VRGNENQVOAUAGX-INIZCTEOSA-N	0	0	588.638	3.360	50	0		KGAARN
O=C(CN1C(=O)c2ccccc2S1(=O)=O)N[C@@H](Nc1ccc(I)cc1)C(Cl)(Cl)Cl	ZINC000001182209	551620938	/nfs/dbraw/zinc/62/09/38/551620938.db2.gz	VRGNENQVOAUAGX-MRXNPFEDSA-N	0	0	588.638	3.360	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)cc(OC)c3O)c(=O)n2[C@H]1c1ccccc1OC	ZINC000001187446	551621429	/nfs/dbraw/zinc/62/14/29/551621429.db2.gz	IGKWRYIFXJVCPW-RZXXJPOTSA-N	0	0	559.438	3.284	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)cc(OC)c3O)c(=O)n2[C@@H]1c1ccccc1OC	ZINC000001187449	551621450	/nfs/dbraw/zinc/62/14/50/551621450.db2.gz	IGKWRYIFXJVCPW-XQJRBFNUSA-N	0	0	559.438	3.284	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)cc(OC)c3O)c(=O)n2[C@H]1c1ccc(OC)cc1	ZINC000001187568	551621494	/nfs/dbraw/zinc/62/14/94/551621494.db2.gz	XZMHNLICTWKAET-RZXXJPOTSA-N	0	0	559.438	3.284	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)cc(OC)c3O)c(=O)n2[C@@H]1c1ccc(OC)cc1	ZINC000001187573	551621423	/nfs/dbraw/zinc/62/14/23/551621423.db2.gz	XZMHNLICTWKAET-XQJRBFNUSA-N	0	0	559.438	3.284	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC(C)=O)cc3OC(C)=O)c(=O)n2[C@H]1c1ccccc1Cl	ZINC000001190190	551621627	/nfs/dbraw/zinc/62/16/27/551621627.db2.gz	BMIUADKJSQJMQB-IZBTWGKQSA-N	0	0	555.008	3.302	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC(C)=O)cc3OC(C)=O)c(=O)n2[C@@H]1c1ccccc1Cl	ZINC000001190192	551621696	/nfs/dbraw/zinc/62/16/96/551621696.db2.gz	BMIUADKJSQJMQB-DKOMQPSQSA-N	0	0	555.008	3.302	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc4c(cc3Br)OCO4)c(=O)n2[C@H]1c1ccc2c(c1)OCO2	ZINC000001194418	551622367	/nfs/dbraw/zinc/62/23/67/551622367.db2.gz	YWKLFHUZBKQMHY-MEPVUFHQSA-N	0	0	571.405	3.018	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc4c(cc3Br)OCO4)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2	ZINC000001194420	551622371	/nfs/dbraw/zinc/62/23/71/551622371.db2.gz	YWKLFHUZBKQMHY-QZKYQMIZSA-N	0	0	571.405	3.018	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)ccc3O)c(=O)n2[C@H]1c1ccc(OC)cc1	ZINC000001194434	551622387	/nfs/dbraw/zinc/62/23/87/551622387.db2.gz	DLTDFZCFDFAYHI-JCAJYURWSA-N	0	0	529.412	3.275	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)ccc3O)c(=O)n2[C@@H]1c1ccc(OC)cc1	ZINC000001194436	551622422	/nfs/dbraw/zinc/62/24/22/551622422.db2.gz	DLTDFZCFDFAYHI-JAORQVBISA-N	0	0	529.412	3.275	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)ccc3O)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1	ZINC000001194521	551622430	/nfs/dbraw/zinc/62/24/30/551622430.db2.gz	KXHBFKSJGVLBMR-AFHVAHMMSA-N	0	0	559.438	3.284	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)ccc3O)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1	ZINC000001194523	551622412	/nfs/dbraw/zinc/62/24/12/551622412.db2.gz	KXHBFKSJGVLBMR-ZRELAVNMSA-N	0	0	559.438	3.284	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(O)c(OC)c3)c(=O)n2[C@H]1c1ccccc1	ZINC000001194963	551622416	/nfs/dbraw/zinc/62/24/16/551622416.db2.gz	SLBOEHNXJFTJDO-SQWSFHKJSA-N	0	0	529.412	3.275	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(O)c(OC)c3)c(=O)n2[C@@H]1c1ccccc1	ZINC000001194966	551622435	/nfs/dbraw/zinc/62/24/35/551622435.db2.gz	SLBOEHNXJFTJDO-JKALPCAWSA-N	0	0	529.412	3.275	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OC)cc3OC)c(=O)n2[C@H]1c1ccc2c(c1)OCO2	ZINC000001195013	551622427	/nfs/dbraw/zinc/62/24/27/551622427.db2.gz	VPYBOIOAJNRSSQ-WNOXZJQASA-N	0	0	587.448	3.307	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OC)cc3OC)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2	ZINC000001195017	551622408	/nfs/dbraw/zinc/62/24/08/551622408.db2.gz	VPYBOIOAJNRSSQ-YVLHRROSSA-N	0	0	587.448	3.307	50	0		KGAARN
COc1ccc(NC(=O)CN(c2c(C)n(C)n(-c3ccccc3)c2=O)S(=O)(=O)c2ccccc2)cc1	ZINC000001195503	551622769	/nfs/dbraw/zinc/62/27/69/551622769.db2.gz	XDTSOYOMUKXTLG-UHFFFAOYSA-N	0	0	506.584	3.327	50	0		KGAARN
COc1ccc(OC)c(N(CC(=O)NCc2ccccc2)S(=O)(=O)c2ccc(OC)c(OC)c2)c1	ZINC000001196345	551622749	/nfs/dbraw/zinc/62/27/49/551622749.db2.gz	PRORXARYIBTHOY-UHFFFAOYSA-N	0	0	500.573	3.233	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Br)o3)c(=O)n2[C@H]1c1cccc(OC)c1	ZINC000001201296	551623316	/nfs/dbraw/zinc/62/33/16/551623316.db2.gz	VRBKWQBQXXJKFC-QMDZLVRISA-N	0	0	503.374	3.162	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Br)o3)c(=O)n2[C@@H]1c1cccc(OC)c1	ZINC000001201298	551623287	/nfs/dbraw/zinc/62/32/87/551623287.db2.gz	VRBKWQBQXXJKFC-JVCXIRSZSA-N	0	0	503.374	3.162	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cn(C)c4ccccc34)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1	ZINC000001201645	551623544	/nfs/dbraw/zinc/62/35/44/551623544.db2.gz	ABLFNUXKRXJKBS-PNZYDNNZSA-N	0	0	517.607	3.307	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cn(C)c4ccccc34)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1	ZINC000001201647	551623571	/nfs/dbraw/zinc/62/35/71/551623571.db2.gz	ABLFNUXKRXJKBS-CBYYHRJHSA-N	0	0	517.607	3.307	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)c(OC)c3OC)c(=O)n2[C@H]1c1ccc(Cl)cc1	ZINC000001201941	551623580	/nfs/dbraw/zinc/62/35/80/551623580.db2.gz	FXELUPJXMBMZBR-FNGUVFISSA-N	0	0	529.014	3.478	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)c(OC)c3OC)c(=O)n2[C@@H]1c1ccc(Cl)cc1	ZINC000001201944	551623546	/nfs/dbraw/zinc/62/35/46/551623546.db2.gz	FXELUPJXMBMZBR-CNSVBDKNSA-N	0	0	529.014	3.478	50	0		KGAARN
Cc1ccc(S(=O)(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)cc1S(=O)(=O)N1CCCCC1	ZINC000001203213	551623871	/nfs/dbraw/zinc/62/38/71/551623871.db2.gz	QZZPDNLAVJTDQE-UHFFFAOYSA-N	0	0	526.702	3.177	50	0		KGAARN
COC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OC)cc3OC)c(=O)n2[C@@H]1c1ccccc1	ZINC000001208479	551625145	/nfs/dbraw/zinc/62/51/45/551625145.db2.gz	MUOKYXUGIYATCG-XQJRBFNUSA-N	0	0	529.412	3.188	50	0		KGAARN
COC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OC)cc3OC)c(=O)n2[C@H]1c1ccccc1	ZINC000001208482	551625132	/nfs/dbraw/zinc/62/51/32/551625132.db2.gz	MUOKYXUGIYATCG-RZXXJPOTSA-N	0	0	529.412	3.188	50	0		KGAARN
NS(=O)(=O)c1ccc(CCN(C(=O)c2ccc(Cl)cc2)[C@H]2CC(=O)N(c3ccccc3)C2=O)cc1	ZINC000001211535	551625398	/nfs/dbraw/zinc/62/53/98/551625398.db2.gz	PYIWWYGXNLUMQW-QFIPXVFZSA-N	0	0	511.987	3.004	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)ccc3O)c(=O)n2[C@H]1c1cc(OC)ccc1OC	ZINC000001212518	551625357	/nfs/dbraw/zinc/62/53/57/551625357.db2.gz	RFZQGCJOHBFPSS-IYMWYRQMSA-N	0	0	514.987	3.175	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)ccc3O)c(=O)n2[C@@H]1c1cc(OC)ccc1OC	ZINC000001212522	551625325	/nfs/dbraw/zinc/62/53/25/551625325.db2.gz	RFZQGCJOHBFPSS-VMOHIOPYSA-N	0	0	514.987	3.175	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(C)c(OC)c3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1	ZINC000001217014	1060052075	/nfs/dbraw/zinc/05/20/75/1060052075.db2.gz	NQBLLLXTWXZQGZ-MFUBYVTQSA-N	0	0	508.596	3.133	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(C)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1	ZINC000001217016	1060052054	/nfs/dbraw/zinc/05/20/54/1060052054.db2.gz	NQBLLLXTWXZQGZ-RWTNITNYSA-N	0	0	508.596	3.133	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)c(OC)c(OC)c3)c(=O)n2[C@H]1c1ccc(Cl)cc1	ZINC000001217073	551626845	/nfs/dbraw/zinc/62/68/45/551626845.db2.gz	BITXMSRNTSMCMZ-WLJFKGHSSA-N	0	0	529.014	3.478	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)c(OC)c(OC)c3)c(=O)n2[C@@H]1c1ccc(Cl)cc1	ZINC000001217075	551626894	/nfs/dbraw/zinc/62/68/94/551626894.db2.gz	BITXMSRNTSMCMZ-VLOXRPPESA-N	0	0	529.014	3.478	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Br)o3)c(=O)n2[C@H]1c1ccccc1OC	ZINC000001217086	551626888	/nfs/dbraw/zinc/62/68/88/551626888.db2.gz	UJUQLCUDMBAJMT-QMDZLVRISA-N	0	0	503.374	3.162	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Br)o3)c(=O)n2[C@@H]1c1ccccc1OC	ZINC000001217088	551626830	/nfs/dbraw/zinc/62/68/30/551626830.db2.gz	UJUQLCUDMBAJMT-JVCXIRSZSA-N	0	0	503.374	3.162	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)cc(OC)c3O)c(=O)n2[C@@H]1c1cc(OC)ccc1OC	ZINC000001217114	551626827	/nfs/dbraw/zinc/62/68/27/551626827.db2.gz	UKPWRWBAUPLVHR-HSELDNCXSA-N	0	0	589.464	3.292	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)cc(OC)c3O)c(=O)n2[C@H]1c1ccccc1	ZINC000001217152	1060019281	/nfs/dbraw/zinc/01/92/81/1060019281.db2.gz	SHNNYWNRBOJZDQ-OLROSQPISA-N	0	0	529.412	3.275	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)cc(OC)c3O)c(=O)n2[C@@H]1c1ccccc1	ZINC000001217154	1060019407	/nfs/dbraw/zinc/01/94/07/1060019407.db2.gz	SHNNYWNRBOJZDQ-ZMUHTPIZSA-N	0	0	529.412	3.275	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Br)o3)c(=O)n2[C@@H]1c1ccc(OC)cc1	ZINC000001217160	551626895	/nfs/dbraw/zinc/62/68/95/551626895.db2.gz	KJDIKYQRIADKML-JVCXIRSZSA-N	0	0	503.374	3.162	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(C)c(OC)c3)c(=O)n2[C@H]1c1cc(OC)ccc1OC	ZINC000001217168	551626911	/nfs/dbraw/zinc/62/69/11/551626911.db2.gz	JGUNZMKGKHFYGA-MFUBYVTQSA-N	0	0	508.596	3.133	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(C)c(OC)c3)c(=O)n2[C@@H]1c1cc(OC)ccc1OC	ZINC000001217170	551626843	/nfs/dbraw/zinc/62/68/43/551626843.db2.gz	JGUNZMKGKHFYGA-RWTNITNYSA-N	0	0	508.596	3.133	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)cc(OC)c3O)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1	ZINC000001217176	551626834	/nfs/dbraw/zinc/62/68/34/551626834.db2.gz	AXQXSQYHXVMJSB-IYMWYRQMSA-N	0	0	589.464	3.292	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)cc(OC)c3O)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1	ZINC000001217178	551626877	/nfs/dbraw/zinc/62/68/77/551626877.db2.gz	AXQXSQYHXVMJSB-VMOHIOPYSA-N	0	0	589.464	3.292	50	0		KGAARN
CC(=O)Nc1ccc(S(=O)(=O)N(c2ccccc2F)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1	ZINC000001218094	551626848	/nfs/dbraw/zinc/62/68/48/551626848.db2.gz	QLVZPKCILDWKGJ-UHFFFAOYSA-N	0	0	505.549	3.327	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(O)c(Br)c3)c(=O)n2[C@H]1c1cccs1	ZINC000001219809	551627676	/nfs/dbraw/zinc/62/76/76/551627676.db2.gz	DMUGQLZLSMSQHM-FJJYYWMZSA-N	0	0	505.415	3.328	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(O)c(Br)c3)c(=O)n2[C@@H]1c1cccs1	ZINC000001219811	551627686	/nfs/dbraw/zinc/62/76/86/551627686.db2.gz	DMUGQLZLSMSQHM-CFINBHSISA-N	0	0	505.415	3.328	50	0		KGAARN
COC(=O)CN1C(=O)N(c2ccc(OC)c(Cl)c2)[C@H](n2oc(=O)n(-c3ccc(OC)c(Cl)c3)c2=O)C1(C)C	ZINC000001231966	1060019192	/nfs/dbraw/zinc/01/91/92/1060019192.db2.gz	ZFOQZEKWYMMCGP-HXUWFJFHSA-N	0	0	567.382	3.309	50	0		KGAARN
COC(=O)CN1C(=O)N(c2ccc(OC)c(Cl)c2)[C@@H](n2oc(=O)n(-c3ccc(OC)c(Cl)c3)c2=O)C1(C)C	ZINC000001231967	1060019258	/nfs/dbraw/zinc/01/92/58/1060019258.db2.gz	ZFOQZEKWYMMCGP-FQEVSTJZSA-N	0	0	567.382	3.309	50	0		KGAARN
NS(=O)(=O)c1ccc(N[C@@H](NC(=O)c2ccccc2)C(Br)(Br)Br)cc1	ZINC000001232308	551629102	/nfs/dbraw/zinc/62/91/02/551629102.db2.gz	LDRCXSFJUTVNKY-AWEZNQCLSA-N	0	0	556.074	3.341	50	0		KGAARN
NS(=O)(=O)c1ccc(N[C@H](NC(=O)c2ccccc2)C(Br)(Br)Br)cc1	ZINC000001232309	551629119	/nfs/dbraw/zinc/62/91/19/551629119.db2.gz	LDRCXSFJUTVNKY-CQSZACIVSA-N	0	0	556.074	3.341	50	0		KGAARN
O=c1/c(=C/c2ccc(I)o2)sc2n1CN(c1cccc(C(F)(F)F)c1)CN=2	ZINC000001246640	551631667	/nfs/dbraw/zinc/63/16/67/551631667.db2.gz	LZEAZIPNQYYAOA-QPEQYQDCSA-N	0	0	505.259	3.010	50	0		KGAARN
COc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4cccc(OC(C)=O)c4)c(=O)n32)cc1	ZINC000001250351	551632525	/nfs/dbraw/zinc/63/25/25/551632525.db2.gz	ISKOHGRYYXFEPN-YMSBRDKKSA-N	0	0	506.580	3.121	50	0		KGAARN
COc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4cccc(OC)c4OC)c(=O)n32)cc1	ZINC000001251969	551632733	/nfs/dbraw/zinc/63/27/33/551632733.db2.gz	CQKLTZUKVLMVEH-LJJBLSSYSA-N	0	0	508.596	3.213	50	0		KGAARN
COc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4cccc(OC)c4OC)c(=O)n32)cc1	ZINC000001251971	551632746	/nfs/dbraw/zinc/63/27/46/551632746.db2.gz	CQKLTZUKVLMVEH-CVGPFBNFSA-N	0	0	508.596	3.213	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cn(C)c4ccccc34)c(=O)n2[C@H]1c1cc(OC)ccc1OC	ZINC000001253241	551632725	/nfs/dbraw/zinc/63/27/25/551632725.db2.gz	ROXCXJZRDUMQFW-PLQXQRLBSA-N	0	0	517.607	3.307	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cn(C)c4ccccc34)c(=O)n2[C@@H]1c1cc(OC)ccc1OC	ZINC000001253243	551632728	/nfs/dbraw/zinc/63/27/28/551632728.db2.gz	ROXCXJZRDUMQFW-VVNKCDPRSA-N	0	0	517.607	3.307	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(C)o3)c(=O)n2[C@H]1c1ccc(OC(C)=O)c(OCC)c1	ZINC000001253550	551632748	/nfs/dbraw/zinc/63/27/48/551632748.db2.gz	RDEATUFAIAQNIU-VZIOXZNFSA-N	0	0	510.568	3.024	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(C)o3)c(=O)n2[C@@H]1c1ccc(OC(C)=O)c(OCC)c1	ZINC000001253552	551632681	/nfs/dbraw/zinc/63/26/81/551632681.db2.gz	RDEATUFAIAQNIU-QCHPHUCNSA-N	0	0	510.568	3.024	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC(C)=O)c(OCC)c3)c(=O)n2[C@@H]1c1ccccc1F	ZINC000001254598	551633064	/nfs/dbraw/zinc/63/30/64/551633064.db2.gz	MYSWQKZCPYCHNU-IGSWSUAKSA-N	0	0	524.570	3.261	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC(C)=O)c(OCC)c3)c(=O)n2[C@H]1c1ccccc1F	ZINC000001254601	551632975	/nfs/dbraw/zinc/63/29/75/551632975.db2.gz	MYSWQKZCPYCHNU-YMSBRDKKSA-N	0	0	524.570	3.261	50	0		KGAARN
CCOC(=O)C1=C(N)OC(C)=C(C(=O)OCc2ccccc2)[C@]12c1cc(Br)ccc1NC2=O	ZINC000001254734	551632957	/nfs/dbraw/zinc/63/29/57/551632957.db2.gz	ZQGOKGIIFIULLT-XMMPIXPASA-N	0	0	513.344	3.420	50	0		KGAARN
CCOC(=O)C1=C(N)OC(C)=C(C(=O)OCc2ccccc2)[C@@]12c1cc(Br)ccc1NC2=O	ZINC000001254735	551633249	/nfs/dbraw/zinc/63/32/49/551633249.db2.gz	ZQGOKGIIFIULLT-DEOSSOPVSA-N	0	0	513.344	3.420	50	0		KGAARN
Cn1c2nc(N3CCc4ccccc4C3)n(CCSc3nc4ccccc4s3)c2c(=O)n(C)c1=O	ZINC000001268379	551634312	/nfs/dbraw/zinc/63/43/12/551634312.db2.gz	BIJXURSLHRKOFB-UHFFFAOYSA-N	0	0	504.641	3.398	50	0		KGAARN
COC(=O)CN1C(=S)N(c2ccc(OC)c(Cl)c2)[C@H](n2oc(=O)n(-c3ccc(OC)c(Cl)c3)c2=O)C1(C)C	ZINC000001271869	551634988	/nfs/dbraw/zinc/63/49/88/551634988.db2.gz	ZKMMIOFPTDZVPH-HXUWFJFHSA-N	0	0	583.450	3.474	50	0		KGAARN
COC(=O)CN1C(=S)N(c2ccc(OC)c(Cl)c2)[C@@H](n2oc(=O)n(-c3ccc(OC)c(Cl)c3)c2=O)C1(C)C	ZINC000001271870	551635019	/nfs/dbraw/zinc/63/50/19/551635019.db2.gz	ZKMMIOFPTDZVPH-FQEVSTJZSA-N	0	0	583.450	3.474	50	0		KGAARN
CCOC(=O)[C@H]1[C@H](c2ccc(OC)cc2)[C@@]2(C(=O)NC(=O)N(Cc3ccccc3)C2=O)[C@H]2c3ccccc3C=NN12	ZINC000001272349	551634999	/nfs/dbraw/zinc/63/49/99/551634999.db2.gz	ZOEQKGZZYIVJKO-PXFJVXAFSA-N	0	0	552.587	3.380	50	0		KGAARN
COC(=O)CN1C(=O)N(c2ccc(Cl)cc2)[C@H](n2oc(=O)n(-c3ccc(Cl)cc3)c2=O)C1(C)C	ZINC000001273988	551635331	/nfs/dbraw/zinc/63/53/31/551635331.db2.gz	NJMBCOWMAQKMMH-GOSISDBHSA-N	0	0	507.330	3.291	50	0		KGAARN
COC(=O)CN1C(=O)N(c2ccc(Cl)cc2)[C@@H](n2oc(=O)n(-c3ccc(Cl)cc3)c2=O)C1(C)C	ZINC000001273989	551635344	/nfs/dbraw/zinc/63/53/44/551635344.db2.gz	NJMBCOWMAQKMMH-SFHVURJKSA-N	0	0	507.330	3.291	50	0		KGAARN
Cc1c(Nc2nc3nonc3nc2Nc2c(C)n(-c3ccccc3)n(C)c2=O)c(=O)n(-c2ccccc2)n1C	ZINC000001276675	551635822	/nfs/dbraw/zinc/63/58/22/551635822.db2.gz	NMYDOQDHVZKVTJ-UHFFFAOYSA-N	0	0	524.545	3.096	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N(CC)CC)o3)c(=O)n2[C@@H]1c1cc(OC)c(OC)c(OC)c1	ZINC000001278085	551635961	/nfs/dbraw/zinc/63/59/61/551635961.db2.gz	CCFYECHRDMABMS-INJUALFYSA-N	0	0	555.653	3.263	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(CC)CC)o3)c(=O)n2[C@@H]1c1cc(OC)c(OC)c(OC)c1	ZINC000001278086	551636021	/nfs/dbraw/zinc/63/60/21/551636021.db2.gz	CCFYECHRDMABMS-HVUZKSCUSA-N	0	0	555.653	3.263	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N(CC)CC)o3)c(=O)n2[C@H]1c1cc(OC)c(OC)c(OC)c1	ZINC000001278087	551636002	/nfs/dbraw/zinc/63/60/02/551636002.db2.gz	CCFYECHRDMABMS-VOZFUJEASA-N	0	0	555.653	3.263	50	0		KGAARN
COc1ccc(CCn2c(=O)[nH]c(=O)c3c2NC(c2cccnc2)=NC3(C(F)(F)F)C(F)(F)F)cc1OC	ZINC000001278923	551636344	/nfs/dbraw/zinc/63/63/44/551636344.db2.gz	VPQQCPJBHSFQCW-UHFFFAOYSA-N	0	0	543.424	3.193	50	0		KGAARN
COc1ccc(Cc2nn3c(=O)/c(=C/c4cn(-c5ccccc5)nc4-c4ccc5c(c4)OCCO5)sc3nc2=O)cc1	ZINC000001283034	551636767	/nfs/dbraw/zinc/63/67/67/551636767.db2.gz	BOCXHVHOFMJEOG-PKAZHMFMSA-N	0	0	577.622	3.282	50	0		KGAARN
CN1O[C@@H]2C(=O)N(CCNc3ncc(C(F)(F)F)cc3Cl)C(=O)[C@@H]2[C@H]1c1coc2ccccc2c1=O	ZINC000001393892	551661020	/nfs/dbraw/zinc/66/10/20/551661020.db2.gz	BEXYXJIGSNKGHN-LMMKCTJWSA-N	0	0	522.867	3.244	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cn(C)c4ccccc34)c(=O)n2[C@H]1c1cc(OC)c(OC)c(OC)c1	ZINC000001409481	551663915	/nfs/dbraw/zinc/66/39/15/551663915.db2.gz	OGYQDWICIWOFMB-PNZYDNNZSA-N	0	0	547.633	3.316	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cn(C)c4ccccc34)c(=O)n2[C@@H]1c1cc(OC)c(OC)c(OC)c1	ZINC000001409483	551663887	/nfs/dbraw/zinc/66/38/87/551663887.db2.gz	OGYQDWICIWOFMB-CBYYHRJHSA-N	0	0	547.633	3.316	50	0		KGAARN
Cc1c(-n2c(CCCN3C(=O)c4ccccc4C3=O)nc3ccccc3c2=O)c(=O)n(-c2ccccc2)n1C	ZINC000001414174	551666318	/nfs/dbraw/zinc/66/63/18/551666318.db2.gz	UNEMJGYGPZZZRI-UHFFFAOYSA-N	0	0	519.561	3.412	50	0		KGAARN
COc1ccc(C(=O)N/C(=C\c2cn(S(=O)(=O)N(C)C)c3ccccc23)C(=O)NCc2ccccc2)cc1OC	ZINC000001414671	551666403	/nfs/dbraw/zinc/66/64/03/551666403.db2.gz	JSSQHAUZULZHMR-JLPGSUDCSA-N	0	0	562.648	3.400	50	0		KGAARN
Cn1nc(-c2ccc(N3CCOCC3)c(NC(=O)CCN3C(=O)c4ccccc4C3=O)c2)c2ccccc2c1=O	ZINC000001420943	551668417	/nfs/dbraw/zinc/66/84/17/551668417.db2.gz	RWAZXMXSNLLCGV-UHFFFAOYSA-N	0	0	537.576	3.062	50	0		KGAARN
CCCC12CN(S(=O)(=O)c3ccc(C)cc3)CC(C)(CN(S(=O)(=O)c3ccc(C)cc3)C1)C2=O	ZINC000001421094	551668362	/nfs/dbraw/zinc/66/83/62/551668362.db2.gz	MCJWWHPFVHYDNR-UHFFFAOYSA-N	0	0	504.674	3.374	50	0		KGAARN
CN1C2=C(C(=O)N(c3ccc(N4CC5=C(C4=O)[C@@H](c4ccc(O)cc4)NC(=O)N5C)cc3)C2)[C@@H](c2ccc(O)cc2)NC1=O	ZINC000001425496	551669255	/nfs/dbraw/zinc/66/92/55/551669255.db2.gz	CTBXRKCFBZGCOB-VSGBNLITSA-N	0	0	592.612	3.092	50	0		KGAARN
CN1C2=C(C(=O)N(c3ccc(N4CC5=C(C4=O)[C@H](c4ccc(O)cc4)NC(=O)N5C)cc3)C2)[C@H](c2ccc(O)cc2)NC1=O	ZINC000001425499	551669321	/nfs/dbraw/zinc/66/93/21/551669321.db2.gz	CTBXRKCFBZGCOB-NSOVKSMOSA-N	0	0	592.612	3.092	50	0		KGAARN
Cn1c2nc(SCC(=O)Nc3ccccc3F)n(Cc3cccc(C(F)(F)F)c3)c2c(=O)n(C)c1=O	ZINC000001425919	551669305	/nfs/dbraw/zinc/66/93/05/551669305.db2.gz	CGTYJHMTHJRTKY-UHFFFAOYSA-N	0	0	521.496	3.371	50	0		KGAARN
CCOC(=O)c1ccc(Oc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2cccc(C(F)(F)F)c2)cc1	ZINC000001427108	551669385	/nfs/dbraw/zinc/66/93/85/551669385.db2.gz	AUIXGUJTVAKULZ-UHFFFAOYSA-N	0	0	502.449	3.470	50	0		KGAARN
Cn1c(Cn2nnc(-c3ccccc3)n2)nnc1SCC(=O)Nc1ccc(OC(F)(F)Cl)cc1	ZINC000001429008	551669696	/nfs/dbraw/zinc/66/96/96/551669696.db2.gz	RXWMGFVLZOIXTL-UHFFFAOYSA-N	0	0	506.926	3.416	50	0		KGAARN
COC(=O)c1ccc(NC(=O)[C@@H]2Cc3ccccc3CN2S(=O)(=O)c2ccc(OC)c(OC)c2)cc1	ZINC000001442248	551673472	/nfs/dbraw/zinc/67/34/72/551673472.db2.gz	FHNAEWLRCLGCMD-QFIPXVFZSA-N	0	0	510.568	3.245	50	0		KGAARN
COC(=O)c1ccc(NC(=O)[C@H]2Cc3ccccc3CN2S(=O)(=O)c2ccc(OC)c(OC)c2)cc1	ZINC000001442250	551673510	/nfs/dbraw/zinc/67/35/10/551673510.db2.gz	FHNAEWLRCLGCMD-JOCHJYFZSA-N	0	0	510.568	3.245	50	0		KGAARN
COc1ccc(N2C[C@@H](C(=O)OCCN(C3=NS(=O)(=O)c4ccccc43)c3ccccc3)CC2=O)cc1	ZINC000001462439	551679626	/nfs/dbraw/zinc/67/96/26/551679626.db2.gz	YECUCUWSPABVGG-IBGZPJMESA-N	0	0	519.579	3.247	50	0		KGAARN
COc1ccc(N2C[C@H](C(=O)OCCN(C3=NS(=O)(=O)c4ccccc43)c3ccccc3)CC2=O)cc1	ZINC000001462440	551679660	/nfs/dbraw/zinc/67/96/60/551679660.db2.gz	YECUCUWSPABVGG-LJQANCHMSA-N	0	0	519.579	3.247	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C3\c4ccccc4N(CC)C3=O)c(=O)n2[C@@H]1c1ccc(SC)cc1	ZINC000001466793	551679964	/nfs/dbraw/zinc/67/99/64/551679964.db2.gz	XHHDIVPMSCJDPV-HOGKFDNTSA-N	0	0	519.648	3.257	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C3\c4ccccc4N(CC)C3=O)c(=O)n2[C@H]1c1ccc(SC)cc1	ZINC000001466795	551680017	/nfs/dbraw/zinc/68/00/17/551680017.db2.gz	XHHDIVPMSCJDPV-MOBKVPTQSA-N	0	0	519.648	3.257	50	0		KGAARN
O=S(=O)(c1ccc2c(c1)Cc1cc(S(=O)(=O)n3nnc4ccccc43)ccc1-2)n1nnc2ccccc21	ZINC000001471048	551680434	/nfs/dbraw/zinc/68/04/34/551680434.db2.gz	ZAPYFKNAWJOCAF-UHFFFAOYSA-N	0	0	528.575	3.221	50	0		KGAARN
O=C(NCCN1CCOCC1)c1nn2c(nc(-c3cccs3)cc2C(F)(F)F)c1Br	ZINC000001507264	551683179	/nfs/dbraw/zinc/68/31/79/551683179.db2.gz	VOUIOLRTPBHMKM-UHFFFAOYSA-N	0	0	504.332	3.301	50	0		KGAARN
COc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3sc4c(c3C(N)=O)CCCC4)C2=O)cc1OC	ZINC000001746960	551692138	/nfs/dbraw/zinc/69/21/38/551692138.db2.gz	ZSJCVLHBRIMFRH-LICLKQGHSA-N	0	0	501.586	3.418	50	0		KGAARN
CCOC(=O)CNS(=O)(=O)c1cc(-c2nnc(Nc3ccc(OCC(=O)NC)cc3)c3ccccc32)ccc1C	ZINC000001748113	551692438	/nfs/dbraw/zinc/69/24/38/551692438.db2.gz	SMXDTYAWSPQQLE-UHFFFAOYSA-N	0	0	563.636	3.315	50	0		KGAARN
CCOC(=O)C1=c2sc(=Cc3ccc(C)cc3)c(=O)n2C(=N)C(S(=O)(=O)c2ccccc2)[C@H]1c1ccc(C)cc1	ZINC000001755385	551693569	/nfs/dbraw/zinc/69/35/69/551693569.db2.gz	GOPJXWHWLXBUFC-IEUUHXEXSA-N	0	0	572.708	3.425	50	0		KGAARN
CCOC(=O)C1=c2sc(=Cc3ccc(C)cc3)c(=O)n2C(=N)C(S(=O)(=O)c2ccccc2)[C@@H]1c1ccc(C)cc1	ZINC000001755390	551693532	/nfs/dbraw/zinc/69/35/32/551693532.db2.gz	GOPJXWHWLXBUFC-IURUZKCNSA-N	0	0	572.708	3.425	50	0		KGAARN
COCCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3OC(C)=O)c(=O)n2[C@@H]1c1ccccc1Cl	ZINC000001755758	551693476	/nfs/dbraw/zinc/69/34/76/551693476.db2.gz	FOKBQHSJPQRBAZ-LJJBLSSYSA-N	0	0	526.998	3.004	50	0		KGAARN
COCCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3OC(C)=O)c(=O)n2[C@H]1c1ccccc1Cl	ZINC000001755762	551693564	/nfs/dbraw/zinc/69/35/64/551693564.db2.gz	FOKBQHSJPQRBAZ-CVGPFBNFSA-N	0	0	526.998	3.004	50	0		KGAARN
COC(=O)[C@@H](Cc1ccccc1)NC(=O)COc1cc(=O)c2c(O)c(-c3ccc4c(c3)OCCO4)coc-2c1	ZINC000001758814	551694100	/nfs/dbraw/zinc/69/41/00/551694100.db2.gz	VUAWWDOTSSJERT-OAQYLSRUSA-N	0	0	531.517	3.216	50	0	biogenic	KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C3/c4ccccc4N(CC)C3=O)c(=O)n2[C@@H]1c1ccc(OC(=O)c2ccco2)cc1	ZINC000001760260	551694154	/nfs/dbraw/zinc/69/41/54/551694154.db2.gz	KLDVWMTTXCLKPL-ZCCPQQFYSA-N	0	0	583.622	3.347	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C3/c4ccccc4N(CC)C3=O)c(=O)n2[C@H]1c1ccc(OC(=O)c2ccco2)cc1	ZINC000001760265	551694062	/nfs/dbraw/zinc/69/40/62/551694062.db2.gz	KLDVWMTTXCLKPL-ULWNEYHBSA-N	0	0	583.622	3.347	50	0		KGAARN
COC(=O)C1=c2sc(=Cc3ccc(C)cc3)c(=O)n2C(=N)C(S(=O)(=O)c2ccccc2)[C@@H]1c1ccc(C)cc1	ZINC000001773349	551696930	/nfs/dbraw/zinc/69/69/30/551696930.db2.gz	FIQCHKMDYGMAHF-YVJFHRMNSA-N	0	0	558.681	3.035	50	0		KGAARN
COC(=O)C1=c2sc(=Cc3ccc(C)cc3)c(=O)n2C(=N)C(S(=O)(=O)c2ccccc2)[C@@H]1c1ccc(C)cc1	ZINC000001773351	551696927	/nfs/dbraw/zinc/69/69/27/551696927.db2.gz	FIQCHKMDYGMAHF-YLXJWSIRSA-N	0	0	558.681	3.035	50	0		KGAARN
COC(=O)C1=c2sc(=Cc3ccc(C)cc3)c(=O)n2C(=N)C(S(=O)(=O)c2ccccc2)[C@H]1c1ccc(C)cc1	ZINC000001773353	551697114	/nfs/dbraw/zinc/69/71/14/551697114.db2.gz	FIQCHKMDYGMAHF-ICBIFTLVSA-N	0	0	558.681	3.035	50	0		KGAARN
COC(=O)C1=c2sc(=Cc3ccc(C)cc3)c(=O)n2C(=N)C(S(=O)(=O)c2ccccc2)[C@H]1c1ccc(C)cc1	ZINC000001773355	551697132	/nfs/dbraw/zinc/69/71/32/551697132.db2.gz	FIQCHKMDYGMAHF-PSJJOBAMSA-N	0	0	558.681	3.035	50	0		KGAARN
COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(C)cc1	ZINC000001774440	551697098	/nfs/dbraw/zinc/69/70/98/551697098.db2.gz	RXRRKDKDGWJWFV-UIOOFZCWSA-N	0	0	519.623	3.266	50	0	biogenic	KGAARN
COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(C)cc1	ZINC000001774441	551697077	/nfs/dbraw/zinc/69/70/77/551697077.db2.gz	RXRRKDKDGWJWFV-FTJBHMTQSA-N	0	0	519.623	3.266	50	0	biogenic	KGAARN
COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(C)cc1	ZINC000001774443	551697115	/nfs/dbraw/zinc/69/71/15/551697115.db2.gz	RXRRKDKDGWJWFV-IZZNHLLZSA-N	0	0	519.623	3.266	50	0	biogenic	KGAARN
COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(C)cc1	ZINC000001774444	551697125	/nfs/dbraw/zinc/69/71/25/551697125.db2.gz	RXRRKDKDGWJWFV-CLJLJLNGSA-N	0	0	519.623	3.266	50	0	biogenic	KGAARN
O=C(CN1C(=O)/C(=C2/SC(=S)N([C@@H]3CCS(=O)(=O)C3)C2=O)c2ccccc21)Nc1cccc(Cl)c1	ZINC000001777708	1059534730	/nfs/dbraw/zinc/53/47/30/1059534730.db2.gz	ORDHZJVAUPAUKA-FZFLATATSA-N	0	0	548.067	3.084	50	0		KGAARN
NS(=O)(=O)c1ccc(NC(=O)c2cccc(NC3=C(Cl)C(=O)N(CCc4ccccc4)C3=O)c2)cc1	ZINC000001785748	551700186	/nfs/dbraw/zinc/70/01/86/551700186.db2.gz	GQLFUNKXCZTXOA-UHFFFAOYSA-N	0	0	524.986	3.060	50	0		KGAARN
COCCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)c(OC)c3)c(=O)n2[C@@H]1c1ccccc1Cl	ZINC000001789798	551701283	/nfs/dbraw/zinc/70/12/83/551701283.db2.gz	HTOBCWKEKUJSMZ-LJJBLSSYSA-N	0	0	529.014	3.095	50	0		KGAARN
COCCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)c(OC)c3)c(=O)n2[C@H]1c1ccccc1Cl	ZINC000001789802	551701242	/nfs/dbraw/zinc/70/12/42/551701242.db2.gz	HTOBCWKEKUJSMZ-CVGPFBNFSA-N	0	0	529.014	3.095	50	0		KGAARN
CC1=C(C(=O)Nc2ccc(I)cc2)[C@@H](c2ccc3c(c2)OCO3)n2nc(CCCO)nc2N1	ZINC000001795610	551702634	/nfs/dbraw/zinc/70/26/34/551702634.db2.gz	CWKNFYKNEWOTTC-OAQYLSRUSA-N	0	0	559.364	3.464	50	0		KGAARN
CCN1c2ccccc2/C(=c2/sc3n(c2=O)[C@H](c2ccc(C)cc2)C(C(=O)OC(C)C)=C(C)N=3)C1=O	ZINC000001805274	551704612	/nfs/dbraw/zinc/70/46/12/551704612.db2.gz	MNJDRJDVPXLKOQ-UGUGFTGJSA-N	0	0	501.608	3.232	50	0		KGAARN
CCN1c2ccccc2/C(=c2/sc3n(c2=O)[C@@H](c2ccc(C)cc2)C(C(=O)OC(C)C)=C(C)N=3)C1=O	ZINC000001805277	551704563	/nfs/dbraw/zinc/70/45/63/551704563.db2.gz	MNJDRJDVPXLKOQ-FEYWKWKCSA-N	0	0	501.608	3.232	50	0		KGAARN
CCOC(=O)C1=C(N)n2c(=O)/c(=C/c3c(F)cccc3Cl)sc2=C(C(=O)OC)[C@H]1c1c(F)cccc1Cl	ZINC000001806027	551704580	/nfs/dbraw/zinc/70/45/80/551704580.db2.gz	MAZYNDWSXCTATA-FJJYYWMZSA-N	0	0	567.397	3.135	50	0		KGAARN
CCOC(=O)C1=C(N)n2c(=O)/c(=C/c3c(F)cccc3Cl)sc2=C(C(=O)OC)[C@@H]1c1c(F)cccc1Cl	ZINC000001806030	551704595	/nfs/dbraw/zinc/70/45/95/551704595.db2.gz	MAZYNDWSXCTATA-CFINBHSISA-N	0	0	567.397	3.135	50	0		KGAARN
CC(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2NS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1	ZINC000001807204	551704718	/nfs/dbraw/zinc/70/47/18/551704718.db2.gz	OCPKOPHWUIZPTB-UHFFFAOYSA-N	0	0	502.574	3.205	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N(CC)CC)o3)c(=O)n2[C@H]1c1cc(OC)ccc1OC	ZINC000001816491	551707656	/nfs/dbraw/zinc/70/76/56/551707656.db2.gz	MUGPFXMYOJNGBA-VOZFUJEASA-N	0	0	525.627	3.255	50	0		KGAARN
COCCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC(C)=O)c(OC)c3)c(=O)n2[C@@H]1c1ccccc1Cl	ZINC000001819032	551708470	/nfs/dbraw/zinc/70/84/70/551708470.db2.gz	UNUFEFGDNSZXOU-IGSWSUAKSA-N	0	0	557.024	3.012	50	0		KGAARN
COCCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC(C)=O)c(OC)c3)c(=O)n2[C@H]1c1ccccc1Cl	ZINC000001819034	551708453	/nfs/dbraw/zinc/70/84/53/551708453.db2.gz	UNUFEFGDNSZXOU-YMSBRDKKSA-N	0	0	557.024	3.012	50	0		KGAARN
COC(=O)CSc1nnc2n1c1sc3c(c1c(=O)n2-c1ccc(OC)cc1)C[C@H](C(C)C)OC3	ZINC000001819250	551708461	/nfs/dbraw/zinc/70/84/61/551708461.db2.gz	SZOCUXZJSLIMRK-MRXNPFEDSA-N	0	0	500.602	3.466	50	0		KGAARN
COC(=O)CSc1nnc2n1c1sc3c(c1c(=O)n2-c1ccc(OC)cc1)C[C@@H](C(C)C)OC3	ZINC000001819251	551708462	/nfs/dbraw/zinc/70/84/62/551708462.db2.gz	SZOCUXZJSLIMRK-INIZCTEOSA-N	0	0	500.602	3.466	50	0		KGAARN
COCCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC(C)=O)cc3)c(=O)n2[C@@H]1c1ccccc1Cl	ZINC000001821499	551708824	/nfs/dbraw/zinc/70/88/24/551708824.db2.gz	HIKPNDXMVLQGHP-LJJBLSSYSA-N	0	0	526.998	3.004	50	0		KGAARN
COCCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC(C)=O)cc3)c(=O)n2[C@H]1c1ccccc1Cl	ZINC000001821501	551708798	/nfs/dbraw/zinc/70/87/98/551708798.db2.gz	HIKPNDXMVLQGHP-CVGPFBNFSA-N	0	0	526.998	3.004	50	0		KGAARN
CCOC(=O)C1=C(N)n2c(=O)/c(=C/c3ccc(Cl)cc3Cl)sc2=C(C(N)=O)[C@H]1c1ccc(Cl)cc1Cl	ZINC000001828170	551710572	/nfs/dbraw/zinc/71/05/72/551710572.db2.gz	USSGOPPJKCFBRJ-UGIZUQJLSA-N	0	0	585.296	3.476	50	0		KGAARN
CCOC(=O)C1=C(N)n2c(=O)/c(=C/c3ccc(Cl)cc3Cl)sc2=C(C(N)=O)[C@@H]1c1ccc(Cl)cc1Cl	ZINC000001828172	551710514	/nfs/dbraw/zinc/71/05/14/551710514.db2.gz	USSGOPPJKCFBRJ-BOVGMKJQSA-N	0	0	585.296	3.476	50	0		KGAARN
COCCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3F)c(=O)n2[C@@H]1c1ccc(OC(=O)c2ccco2)cc1	ZINC000001828798	551710705	/nfs/dbraw/zinc/71/07/05/551710705.db2.gz	YRYWJOACBGPZTO-QKSFETHESA-N	0	0	562.575	3.376	50	0		KGAARN
COCCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3F)c(=O)n2[C@H]1c1ccc(OC(=O)c2ccco2)cc1	ZINC000001828800	551710739	/nfs/dbraw/zinc/71/07/39/551710739.db2.gz	YRYWJOACBGPZTO-ZDQFFALBSA-N	0	0	562.575	3.376	50	0		KGAARN
NS(=O)(=O)c1ccc(NC(=O)CSc2nc3sc4c(c3c(=O)n2-c2ccccc2)CCC4)cc1	ZINC000001828831	551710707	/nfs/dbraw/zinc/71/07/07/551710707.db2.gz	RSDBXKANQGGQFU-UHFFFAOYSA-N	0	0	512.638	3.314	50	0		KGAARN
COCCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3OC)c(=O)n2[C@@H]1c1ccc(OC(=O)c2ccco2)cc1	ZINC000001830025	551711224	/nfs/dbraw/zinc/71/12/24/551711224.db2.gz	AMVJMNNULBUUNO-KDSDTBODSA-N	0	0	574.611	3.246	50	0		KGAARN
COCCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3OC)c(=O)n2[C@H]1c1ccc(OC(=O)c2ccco2)cc1	ZINC000001830027	551711253	/nfs/dbraw/zinc/71/12/53/551711253.db2.gz	AMVJMNNULBUUNO-FCYPAOMHSA-N	0	0	574.611	3.246	50	0		KGAARN
COC(=O)C1=C(N)Oc2cc(C)n(CCc3ccc(OC)c(OC)c3)c(=O)c2[C@H]1c1cc(OC)c(OC)c(OC)c1	ZINC000001835556	551712319	/nfs/dbraw/zinc/71/23/19/551712319.db2.gz	OIMUJIIKDJVCFT-XMMPIXPASA-N	0	0	566.607	3.310	50	0	biogenic	KGAARN
COC(=O)C1=C(N)Oc2cc(C)n(CCc3ccc(OC)c(OC)c3)c(=O)c2[C@@H]1c1cc(OC)c(OC)c(OC)c1	ZINC000001835557	551712313	/nfs/dbraw/zinc/71/23/13/551712313.db2.gz	OIMUJIIKDJVCFT-DEOSSOPVSA-N	0	0	566.607	3.310	50	0	biogenic	KGAARN
O=C(CN1C(=O)/C(=C2/SC(=S)N([C@@H]3CCS(=O)(=O)C3)C2=O)c2ccccc21)Nc1cccc(Br)c1	ZINC000001835576	1059534706	/nfs/dbraw/zinc/53/47/06/1059534706.db2.gz	MBPBXGMZEHSWAG-FZFLATATSA-N	0	0	592.518	3.193	50	0		KGAARN
CCOc1ccc(-n2c(SCC(=O)Nc3ccc(S(N)(=O)=O)cc3)nnc2-c2cccnc2)cc1	ZINC000001836895	551712663	/nfs/dbraw/zinc/71/26/63/551712663.db2.gz	DOHKNSOBMHRPEU-UHFFFAOYSA-N	0	0	510.601	3.106	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC(C)=O)c(OCC)c3)c(=O)n2[C@@H]1c1ccc(OC(C)=O)c(OC)c1	ZINC000001838887	551713305	/nfs/dbraw/zinc/71/33/05/551713305.db2.gz	VKASXVHTCJYYIS-LXYLXTGBSA-N	0	0	594.642	3.056	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC(C)=O)c(OCC)c3)c(=O)n2[C@H]1c1ccc(OC(C)=O)c(OC)c1	ZINC000001838889	551713331	/nfs/dbraw/zinc/71/33/31/551713331.db2.gz	VKASXVHTCJYYIS-XGLZOBASSA-N	0	0	594.642	3.056	50	0		KGAARN
O=C(N[C@]1(C(F)(F)F)C(=O)Nc2c1c(=O)[nH]c(=O)n2CCc1ccccc1)c1ccc(Cl)cc1Cl	ZINC000001842051	551714201	/nfs/dbraw/zinc/71/42/01/551714201.db2.gz	FUUTZBWJTAJOOY-NRFANRHFSA-N	0	0	527.286	3.226	50	0		KGAARN
O=C(N[C@@]1(C(F)(F)F)C(=O)Nc2c1c(=O)[nH]c(=O)n2CCc1ccccc1)c1ccc(Cl)cc1Cl	ZINC000001842054	551714178	/nfs/dbraw/zinc/71/41/78/551714178.db2.gz	FUUTZBWJTAJOOY-OAQYLSRUSA-N	0	0	527.286	3.226	50	0		KGAARN
COc1ccc(CCNC(=O)c2c(N)n(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)c3nc4ccccc4nc32)cc1	ZINC000001873993	551720763	/nfs/dbraw/zinc/72/07/63/551720763.db2.gz	FJPJRMXMSXDMSE-UHFFFAOYSA-N	0	0	586.674	3.158	50	0		KGAARN
CCCOc1ccc(Cc2nn3c(=O)/c(=C/c4cc(Br)c(OC(C)=O)c(OC)c4)sc3nc2=O)cc1	ZINC000001879545	551723828	/nfs/dbraw/zinc/72/38/28/551723828.db2.gz	RHHZPEIFWWNGMA-BKUYFWCQSA-N	0	0	572.437	3.135	50	0		KGAARN
CCOC(=O)c1ccc2c(c1)[n+](CCCS(=O)(=O)[O-])c(/C=C/N(C(C)=O)c1ccccc1)n2CC	ZINC000001881546	551724339	/nfs/dbraw/zinc/72/43/39/551724339.db2.gz	XENONHKIYRGPAD-UHFFFAOYSA-O	0	0	500.597	3.427	50	0		KGAARN
CN(C)c1nc(N(C)C)nc(N(C#N)[C@H](NC(=O)COc2ccc(Cl)cc2Cl)C(Cl)(Cl)Cl)n1	ZINC000001884798	551725279	/nfs/dbraw/zinc/72/52/79/551725279.db2.gz	BDDZKDCTAKJDHD-AWEZNQCLSA-N	0	0	556.669	3.489	50	0		KGAARN
CN(C)c1nc(N(C)C)nc(N(C#N)[C@@H](NC(=O)COc2ccc(Cl)cc2Cl)C(Cl)(Cl)Cl)n1	ZINC000001884800	551725276	/nfs/dbraw/zinc/72/52/76/551725276.db2.gz	BDDZKDCTAKJDHD-CQSZACIVSA-N	0	0	556.669	3.489	50	0		KGAARN
COc1ccc(-c2nnc(SCC(=O)NCCc3ccc(S(N)(=O)=O)cc3)nc2-c2ccc(OC)cc2)cc1	ZINC000001886369	551725915	/nfs/dbraw/zinc/72/59/15/551725915.db2.gz	BSAHOCFWZBZWIV-UHFFFAOYSA-N	0	0	565.677	3.321	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC(C)=O)c(OCC)c3)c(=O)n2[C@@H]1c1ccc(OC(C)=O)cc1	ZINC000001894235	551727180	/nfs/dbraw/zinc/72/71/80/551727180.db2.gz	ORKHKGUSSBFAMJ-KMBIYUNPSA-N	0	0	564.616	3.048	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC(C)=O)c(OCC)c3)c(=O)n2[C@H]1c1ccc(OC(C)=O)cc1	ZINC000001894242	551727136	/nfs/dbraw/zinc/72/71/36/551727136.db2.gz	ORKHKGUSSBFAMJ-GVMLUORFSA-N	0	0	564.616	3.048	50	0		KGAARN
Cc1sc2nc(SCC(=O)Nc3ccc(S(N)(=O)=O)cc3)n(-c3ccccc3)c(=O)c2c1C	ZINC000001896267	551728130	/nfs/dbraw/zinc/72/81/30/551728130.db2.gz	KEJHAHCKDLWKFE-UHFFFAOYSA-N	0	0	500.627	3.442	50	0		KGAARN
COc1cc(C(=O)NCCn2c(N)c(S(=O)(=O)c3ccccc3)c3nc4ccccc4nc32)cc(OC)c1OC	ZINC000001896736	551728342	/nfs/dbraw/zinc/72/83/42/551728342.db2.gz	KVFHCPZMMKNWOC-UHFFFAOYSA-N	0	0	561.620	3.455	50	0		KGAARN
CCCCN1c2ccccc2/C(=c2/sc3n(c2=O)[C@H](c2ccc(OC(C)=O)c(OC)c2)C(C(=O)OCC)=C(C)N=3)C1=O	ZINC000001899844	551730475	/nfs/dbraw/zinc/73/04/75/551730475.db2.gz	WCCNTLQFVKVPPJ-ORDRXGECSA-N	0	0	589.670	3.249	50	0		KGAARN
CCCCN1c2ccccc2/C(=c2/sc3n(c2=O)[C@@H](c2ccc(OC(C)=O)c(OC)c2)C(C(=O)OCC)=C(C)N=3)C1=O	ZINC000001899846	551730434	/nfs/dbraw/zinc/73/04/34/551730434.db2.gz	WCCNTLQFVKVPPJ-PIJNJCDPSA-N	0	0	589.670	3.249	50	0		KGAARN
Cc1ccc(-c2nnc(Nc3ccc(S(N)(=O)=O)cc3)c3ccccc32)cc1S(=O)(=O)NC[C@H]1CCCO1	ZINC000001901591	551731265	/nfs/dbraw/zinc/73/12/65/551731265.db2.gz	GJMJISOANKBFHD-HXUWFJFHSA-N	0	0	553.666	3.454	50	0		KGAARN
Cc1ccc(-c2nnc(Nc3ccc(S(N)(=O)=O)cc3)c3ccccc32)cc1S(=O)(=O)NC[C@@H]1CCCO1	ZINC000001901593	551731255	/nfs/dbraw/zinc/73/12/55/551731255.db2.gz	GJMJISOANKBFHD-FQEVSTJZSA-N	0	0	553.666	3.454	50	0		KGAARN
COC(=O)c1ccc(NC(=O)c2sc3nc(C)cc(=O)n3c2C(=O)Nc2cc(OC)ccc2OC)cc1	ZINC000001906967	551732653	/nfs/dbraw/zinc/73/26/53/551732653.db2.gz	LNTVWCXTQZZVQE-UHFFFAOYSA-N	0	0	522.539	3.373	50	0		KGAARN
COC(=O)c1ccc(NC(=O)c2sc3nc(C)cc(=O)n3c2C(=O)Nc2ccc(OC)cc2OC)cc1	ZINC000001906969	551732677	/nfs/dbraw/zinc/73/26/77/551732677.db2.gz	IRQYROJHHJYKBE-UHFFFAOYSA-N	0	0	522.539	3.373	50	0		KGAARN
COC(=O)c1ccc(NC(=O)c2sc3nc(C)cc(=O)n3c2C(=O)Nc2cccc(C(=O)OC)c2)cc1	ZINC000001906977	551732662	/nfs/dbraw/zinc/73/26/62/551732662.db2.gz	WHZQRYXLDGUZFH-UHFFFAOYSA-N	0	0	520.523	3.142	50	0		KGAARN
COC(=O)c1ccc(NC(=O)c2sc3nc(C)cc(=O)n3c2C(=O)Nc2ccc(C(=O)OC)cc2)cc1	ZINC000001906979	551732635	/nfs/dbraw/zinc/73/26/35/551732635.db2.gz	PEJZTTNEZUJRIR-UHFFFAOYSA-N	0	0	520.523	3.142	50	0		KGAARN
COC(=O)c1c(NC(=O)COC(=O)[C@@H](C(C)C)N2C(=O)c3ccccc3C2=O)sc2c1CC[C@H](C)C2	ZINC000001917127	551733503	/nfs/dbraw/zinc/73/35/03/551733503.db2.gz	XSGPRBYKWVLBIO-LHSJRXKWSA-N	0	0	512.584	3.462	50	0		KGAARN
COC(=O)c1c(NC(=O)COC(=O)[C@@H](C(C)C)N2C(=O)c3ccccc3C2=O)sc2c1CC[C@@H](C)C2	ZINC000001917129	551733489	/nfs/dbraw/zinc/73/34/89/551733489.db2.gz	XSGPRBYKWVLBIO-SPLOXXLWSA-N	0	0	512.584	3.462	50	0		KGAARN
COC(=O)c1c(NC(=O)COC(=O)[C@H](C(C)C)N2C(=O)c3ccccc3C2=O)sc2c1CC[C@H](C)C2	ZINC000001917131	551733520	/nfs/dbraw/zinc/73/35/20/551733520.db2.gz	XSGPRBYKWVLBIO-QKKBWIMNSA-N	0	0	512.584	3.462	50	0		KGAARN
COC(=O)c1c(NC(=O)COC(=O)[C@H](C(C)C)N2C(=O)c3ccccc3C2=O)sc2c1CC[C@@H](C)C2	ZINC000001917132	551733481	/nfs/dbraw/zinc/73/34/81/551733481.db2.gz	XSGPRBYKWVLBIO-SZNDQCEHSA-N	0	0	512.584	3.462	50	0		KGAARN
Cc1ccc(S(=O)(=O)NCCN(CCNS(=O)(=O)c2ccc(C)cc2)Cc2ccccc2)cc1	ZINC000002024481	551736463	/nfs/dbraw/zinc/73/64/63/551736463.db2.gz	ZEJWEQZIMFOOEJ-UHFFFAOYSA-N	0	0	501.674	3.062	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N(CC)CC)o3)c(=O)n2[C@@H]1c1ccc(OC)cc1OC	ZINC000002049409	551737247	/nfs/dbraw/zinc/73/72/47/551737247.db2.gz	CXVXFRBPDXZREU-INJUALFYSA-N	0	0	525.627	3.255	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N(CC)CC)o3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1	ZINC000002049456	551737506	/nfs/dbraw/zinc/73/75/06/551737506.db2.gz	CAVQXNXHTUXJKW-INJUALFYSA-N	0	0	525.627	3.255	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC(C)=O)c(OCC)c3)c(=O)n2[C@@H]1c1ccc(OC)cc1	ZINC000002058549	551740731	/nfs/dbraw/zinc/74/07/31/551740731.db2.gz	GKFBTRPTNSFNOI-XSZPGNIMSA-N	0	0	536.606	3.131	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC(C)=O)c(OCC)c3)c(=O)n2[C@H]1c1ccc(OC)cc1	ZINC000002058551	551740725	/nfs/dbraw/zinc/74/07/25/551740725.db2.gz	GKFBTRPTNSFNOI-XXMKCSCWSA-N	0	0	536.606	3.131	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)ccc3OC(C)=O)c(=O)n2[C@H]1c1ccc(OC(C)=O)cc1	ZINC000002058646	551740673	/nfs/dbraw/zinc/74/06/73/551740673.db2.gz	OMKJZKQEXBAVTA-MFUBYVTQSA-N	0	0	599.459	3.411	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)ccc3OC(C)=O)c(=O)n2[C@@H]1c1ccc(OC(C)=O)cc1	ZINC000002058648	551740671	/nfs/dbraw/zinc/74/06/71/551740671.db2.gz	OMKJZKQEXBAVTA-RWTNITNYSA-N	0	0	599.459	3.411	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(Br)c3)c(=O)n2[C@H]1c1ccc(OC(C)=O)cc1	ZINC000002058860	551740963	/nfs/dbraw/zinc/74/09/63/551740963.db2.gz	ADIBKCOFSPHIMV-WLJFKGHSSA-N	0	0	541.423	3.486	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(Br)c3)c(=O)n2[C@@H]1c1ccc(OC(C)=O)cc1	ZINC000002058862	551740878	/nfs/dbraw/zinc/74/08/78/551740878.db2.gz	ADIBKCOFSPHIMV-VLOXRPPESA-N	0	0	541.423	3.486	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)ccc3OC(C)=O)c(=O)n2[C@H]1c1ccc(OC)cc1	ZINC000002058946	551741005	/nfs/dbraw/zinc/74/10/05/551741005.db2.gz	KMYGLCPYYWKIMQ-VZIOXZNFSA-N	0	0	571.449	3.495	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)ccc3OC(C)=O)c(=O)n2[C@@H]1c1ccc(OC)cc1	ZINC000002058948	551741038	/nfs/dbraw/zinc/74/10/38/551741038.db2.gz	KMYGLCPYYWKIMQ-QCHPHUCNSA-N	0	0	571.449	3.495	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C3/c4ccccc4N(C(C)=O)C3=O)c(=O)n2[C@H]1c1ccc(C(C)(C)C)cc1	ZINC000002059857	551741663	/nfs/dbraw/zinc/74/16/63/551741663.db2.gz	LHQPYVLSNMVZNI-MYXKAAJQSA-N	0	0	543.645	3.359	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C3/c4ccccc4N(C(C)=O)C3=O)c(=O)n2[C@@H]1c1ccc(C(C)(C)C)cc1	ZINC000002059859	551741672	/nfs/dbraw/zinc/74/16/72/551741672.db2.gz	LHQPYVLSNMVZNI-QQYUXEJHSA-N	0	0	543.645	3.359	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C3/c4ccccc4N(C)C3=O)c(=O)n2[C@H]1c1ccc(C(C)(C)C)cc1	ZINC000002059861	551741696	/nfs/dbraw/zinc/74/16/96/551741696.db2.gz	MLRRSDVPXNWUKH-FEYWKWKCSA-N	0	0	515.635	3.442	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C3/c4ccccc4N(C)C3=O)c(=O)n2[C@@H]1c1ccc(C(C)(C)C)cc1	ZINC000002059863	551741668	/nfs/dbraw/zinc/74/16/68/551741668.db2.gz	MLRRSDVPXNWUKH-UGUGFTGJSA-N	0	0	515.635	3.442	50	0		KGAARN
CCCN1c2ccccc2/C(=c2/sc3n(c2=O)[C@H](c2ccccc2Cl)C(C(=O)OC)=C(C)N=3)C1=O	ZINC000002059905	551741978	/nfs/dbraw/zinc/74/19/78/551741978.db2.gz	HIHOLPTWARFTOX-SADKCHQCSA-N	0	0	507.999	3.188	50	0		KGAARN
CCCN1c2ccccc2/C(=c2/sc3n(c2=O)[C@@H](c2ccccc2Cl)C(C(=O)OC)=C(C)N=3)C1=O	ZINC000002059907	551741950	/nfs/dbraw/zinc/74/19/50/551741950.db2.gz	HIHOLPTWARFTOX-AGGMBTAESA-N	0	0	507.999	3.188	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Br)cc3)c(=O)n2[C@H]1c1ccc(OC(C)=O)cc1	ZINC000002059968	551741984	/nfs/dbraw/zinc/74/19/84/551741984.db2.gz	UUQPIUOHSCBRME-WLJFKGHSSA-N	0	0	541.423	3.486	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Br)cc3)c(=O)n2[C@@H]1c1ccc(OC(C)=O)cc1	ZINC000002059970	551741957	/nfs/dbraw/zinc/74/19/57/551741957.db2.gz	UUQPIUOHSCBRME-VLOXRPPESA-N	0	0	541.423	3.486	50	0		KGAARN
CCCCN1c2ccccc2/C(=c2/sc3n(c2=O)[C@H](c2ccccc2)C(C(=O)OCC)=C(C)N=3)C1=O	ZINC000002063847	551744539	/nfs/dbraw/zinc/74/45/39/551744539.db2.gz	HNWJNTOYVAMQOQ-UGUGFTGJSA-N	0	0	501.608	3.315	50	0		KGAARN
CCCCN1c2ccccc2/C(=c2/sc3n(c2=O)[C@@H](c2ccccc2)C(C(=O)OCC)=C(C)N=3)C1=O	ZINC000002063849	551744536	/nfs/dbraw/zinc/74/45/36/551744536.db2.gz	HNWJNTOYVAMQOQ-FEYWKWKCSA-N	0	0	501.608	3.315	50	0		KGAARN
CCCCN1c2ccccc2/C(=c2/sc3n(c2=O)[C@H](c2ccc(OC)cc2)C(C(=O)OCC)=C(C)N=3)C1=O	ZINC000002063863	551744814	/nfs/dbraw/zinc/74/48/14/551744814.db2.gz	LVHVQKYFNUSVRV-QQYUXEJHSA-N	0	0	531.634	3.324	50	0		KGAARN
CCCCN1c2ccccc2/C(=c2/sc3n(c2=O)[C@@H](c2ccc(OC)cc2)C(C(=O)OCC)=C(C)N=3)C1=O	ZINC000002063865	551744797	/nfs/dbraw/zinc/74/47/97/551744797.db2.gz	LVHVQKYFNUSVRV-MYXKAAJQSA-N	0	0	531.634	3.324	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C3/c4ccccc4N(CC)C3=O)c(=O)n2[C@@H]1c1ccc(Cl)cc1	ZINC000002063930	551744780	/nfs/dbraw/zinc/74/47/80/551744780.db2.gz	GOGSCQZGRREEMW-SADKCHQCSA-N	0	0	507.999	3.188	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C3/c4ccccc4N(CC)C3=O)c(=O)n2[C@H]1c1ccc(Cl)cc1	ZINC000002063932	551744845	/nfs/dbraw/zinc/74/48/45/551744845.db2.gz	GOGSCQZGRREEMW-AGGMBTAESA-N	0	0	507.999	3.188	50	0		KGAARN
COC(=O)CN1C(=O)[C@@H]2[C@@H](C1=O)C1(Br)c3ccccc3C2(Br)c2ccccc21	ZINC000002068169	551746082	/nfs/dbraw/zinc/74/60/82/551746082.db2.gz	QTQVIERYYHKCCU-AMZMEHNNSA-N	0	0	505.162	3.065	50	0		KGAARN
COC(=O)CN1C(=O)[C@H]2[C@H](C1=O)C1(Br)c3ccccc3C2(Br)c2ccccc21	ZINC000002068172	551746046	/nfs/dbraw/zinc/74/60/46/551746046.db2.gz	QTQVIERYYHKCCU-FBIZOPLVSA-N	0	0	505.162	3.065	50	0		KGAARN
CCOC(=O)CN1C(=O)[C@@H]2[C@@H](C1=O)C1(Br)c3ccccc3C2(Br)c2ccccc21	ZINC000002068173	551746086	/nfs/dbraw/zinc/74/60/86/551746086.db2.gz	ODQYFUXNJBTGBK-HTAFUYNTSA-N	0	0	519.189	3.455	50	0		KGAARN
CCOC(=O)CN1C(=O)[C@H]2[C@@H](C1=O)C1(Br)c3ccccc3C2(Br)c2ccccc21	ZINC000002068174	551746038	/nfs/dbraw/zinc/74/60/38/551746038.db2.gz	ODQYFUXNJBTGBK-OTXOEQGISA-N	0	0	519.189	3.455	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC(C)=O)c(OCC)c3)c(=O)n2[C@@H]1c1cccs1	ZINC000002071013	551747118	/nfs/dbraw/zinc/74/71/18/551747118.db2.gz	FYTSRBFNSFQQGM-WVWKGNOCSA-N	0	0	512.609	3.184	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC(C)=O)c(OCC)c3)c(=O)n2[C@@H]1c1cccs1	ZINC000002071014	551747078	/nfs/dbraw/zinc/74/70/78/551747078.db2.gz	FYTSRBFNSFQQGM-VLOXRPPESA-N	0	0	512.609	3.184	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC(C)=O)c(OCC)c3)c(=O)n2[C@H]1c1cccs1	ZINC000002071015	551747085	/nfs/dbraw/zinc/74/70/85/551747085.db2.gz	FYTSRBFNSFQQGM-IMEWXKHHSA-N	0	0	512.609	3.184	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC(C)=O)c(OCC)c3)c(=O)n2[C@H]1c1cccs1	ZINC000002071016	551747074	/nfs/dbraw/zinc/74/70/74/551747074.db2.gz	FYTSRBFNSFQQGM-WLJFKGHSSA-N	0	0	512.609	3.184	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(O)c(OC)c3)c(=O)n2[C@H]1c1ccccc1	ZINC000002075590	551749704	/nfs/dbraw/zinc/74/97/04/551749704.db2.gz	WZXRESFMWPKZET-SQWSFHKJSA-N	0	0	576.412	3.117	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(O)c(OC)c3)c(=O)n2[C@@H]1c1ccccc1	ZINC000002075592	551749688	/nfs/dbraw/zinc/74/96/88/551749688.db2.gz	WZXRESFMWPKZET-JKALPCAWSA-N	0	0	576.412	3.117	50	0		KGAARN
CCOc1ccc(N2C(=O)[N-]C(=O)[C@@](Cc3ccc(OC)cc3)(C[N@@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)C2=O)cc1	ZINC000002087547	551757013	/nfs/dbraw/zinc/75/70/13/551757013.db2.gz	LKQXDSSDFXZCGS-MEYXWREJSA-N	0	0	570.646	3.187	50	0	biogenic	KGAARN
CCOc1ccc(N2C(=O)[N-]C(=O)[C@](Cc3ccc(OC)cc3)(C[N@@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)C2=O)cc1	ZINC000002087550	551757091	/nfs/dbraw/zinc/75/70/91/551757091.db2.gz	LKQXDSSDFXZCGS-MODXFSQWSA-N	0	0	570.646	3.187	50	0	biogenic	KGAARN
COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C4\C(=O)Nc5ccccc54)c(=O)n32)c(OC)c1	ZINC000002089283	551758353	/nfs/dbraw/zinc/75/83/53/551758353.db2.gz	XKGCASCABXIEAL-ZCCPQQFYSA-N	0	0	552.612	3.213	50	0		KGAARN
COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C4\C(=O)Nc5ccccc54)c(=O)n32)c(OC)c1	ZINC000002089285	551758342	/nfs/dbraw/zinc/75/83/42/551758342.db2.gz	XKGCASCABXIEAL-ULWNEYHBSA-N	0	0	552.612	3.213	50	0		KGAARN
COC(=O)c1ccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(C[C@H](O)c4ccccc4)CC(=O)N32)cc1	ZINC000002092611	551759333	/nfs/dbraw/zinc/75/93/33/551759333.db2.gz	QJIPBLDBFJECMF-VBOOUTDYSA-N	0	0	509.562	3.373	50	0	biogenic	KGAARN
COC(=O)c1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(C[C@H](O)c4ccccc4)CC(=O)N23)cc1	ZINC000002092613	551759325	/nfs/dbraw/zinc/75/93/25/551759325.db2.gz	QJIPBLDBFJECMF-PNIUZAESSA-N	0	0	509.562	3.373	50	0	biogenic	KGAARN
COC(=O)c1ccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(C[C@@H](O)c4ccccc4)CC(=O)N32)cc1	ZINC000002092615	551759322	/nfs/dbraw/zinc/75/93/22/551759322.db2.gz	QJIPBLDBFJECMF-OARDWFSCSA-N	0	0	509.562	3.373	50	0	biogenic	KGAARN
COC(=O)c1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(C[C@@H](O)c4ccccc4)CC(=O)N23)cc1	ZINC000002092617	551759266	/nfs/dbraw/zinc/75/92/66/551759266.db2.gz	QJIPBLDBFJECMF-BXTSTYNKSA-N	0	0	509.562	3.373	50	0	biogenic	KGAARN
CCOC(=O)c1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc1	ZINC000002094245	551760305	/nfs/dbraw/zinc/76/03/05/551760305.db2.gz	SHCLQYDJEBZSTH-VTZPFEBOSA-N	0	0	528.609	3.404	50	0	biogenic	KGAARN
CC(=O)Nc1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc1	ZINC000002095149	551761074	/nfs/dbraw/zinc/76/10/74/551761074.db2.gz	UIZBDNLQEIRAGG-SLSDLSHTSA-N	0	0	513.598	3.185	50	0	biogenic	KGAARN
O=c1cccc2n1C[C@@H]1C[C@H]2C[N@H+](C[C@]2(Cc3ccc(Cl)cc3)C(=O)[N-]C(=O)N(c3ccccc3)C2=O)C1	ZINC000002107014	551764745	/nfs/dbraw/zinc/76/47/45/551764745.db2.gz	PAQDFCWFNIOKLG-HNMNOHOESA-N	0	0	531.012	3.433	50	0		KGAARN
CC(C)[C@@H](C(=O)Nc1nc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)cs1)N1C(=O)c2ccccc2C1=O	ZINC000002107492	551764733	/nfs/dbraw/zinc/76/47/33/551764733.db2.gz	BYLPAFIYZWIQCN-QFIPXVFZSA-N	0	0	554.650	3.090	50	0		KGAARN
CC(C)[C@H](C(=O)Nc1nc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)cs1)N1C(=O)c2ccccc2C1=O	ZINC000002107494	551764734	/nfs/dbraw/zinc/76/47/34/551764734.db2.gz	BYLPAFIYZWIQCN-JOCHJYFZSA-N	0	0	554.650	3.090	50	0		KGAARN
Cc1c2ccc(OCC(=O)NCC(=O)N3CC[C@]4(O)CCCC[C@@H]4C3)cc2oc(=O)c1Cc1ccccc1	ZINC000002110695	551767098	/nfs/dbraw/zinc/76/70/98/551767098.db2.gz	IBWNNXVKFROASK-YKGWIAGDSA-N	0	0	518.610	3.341	50	0	biogenic	KGAARN
O=c1cccc2n1C[C@@H]1C[C@H]2C[N@H+](C[C@@]2(Cc3ccc(Cl)cc3)C(=O)[N-]C(=O)N(c3ccccc3)C2=O)C1	ZINC000002114744	551769211	/nfs/dbraw/zinc/76/92/11/551769211.db2.gz	PAQDFCWFNIOKLG-CGQTXMLISA-N	0	0	531.012	3.433	50	0		KGAARN
COC(=O)[C@H]1Cc2c3ccccc3[nH]c2CN1C(=O)CSc1nnc([C@H](C)NC(=O)OC(C)(C)C)o1	ZINC000002127302	551772255	/nfs/dbraw/zinc/77/22/55/551772255.db2.gz	UABGSVNDWOGHBM-SCLBCKFNSA-N	0	0	515.592	3.355	50	0		KGAARN
COc1ccc(CCN2C(=O)NC(=O)[C@]3(Cc4ccccc4N4CCN(c5ccccc5)C[C@H]43)C2=O)cc1OC	ZINC000002133432	551773065	/nfs/dbraw/zinc/77/30/65/551773065.db2.gz	OZPJELXQAXGZCQ-JTSJOTPCSA-N	0	0	540.620	3.263	50	0	biogenic	KGAARN
COC(=O)C1=C(N)Oc2cc(C)n(CCc3ccc(OC)c(OC)c3)c(=O)c2[C@H]1c1ccc(OC)c(OC)c1	ZINC000002145697	551776143	/nfs/dbraw/zinc/77/61/43/551776143.db2.gz	FPRTZSGXKGQZBD-XMMPIXPASA-N	0	0	536.581	3.301	50	0	biogenic	KGAARN
COC(=O)C1=C(N)Oc2cc(C)n(CCc3ccc(OC)c(OC)c3)c(=O)c2[C@@H]1c1ccc(OC)c(OC)c1	ZINC000002145699	551776138	/nfs/dbraw/zinc/77/61/38/551776138.db2.gz	FPRTZSGXKGQZBD-DEOSSOPVSA-N	0	0	536.581	3.301	50	0	biogenic	KGAARN
COc1cc([C@H]2c3[nH]c4ccccc4c3C[C@@H]3C(=O)N(C[C@H]4CCCO4)CC(=O)N32)cc(OC)c1OC	ZINC000002149907	551777968	/nfs/dbraw/zinc/77/79/68/551777968.db2.gz	GKZSVBLZGICNGG-GZAUMTHMSA-N	0	0	505.571	3.058	50	0	biogenic	KGAARN
COc1cc([C@@H]2c3[nH]c4ccccc4c3C[C@@H]3C(=O)N(C[C@H]4CCCO4)CC(=O)N32)cc(OC)c1OC	ZINC000002149910	551777941	/nfs/dbraw/zinc/77/79/41/551777941.db2.gz	GKZSVBLZGICNGG-HIIGZGGBSA-N	0	0	505.571	3.058	50	0	biogenic	KGAARN
COc1cc([C@H]2c3[nH]c4ccccc4c3C[C@@H]3C(=O)N(C[C@@H]4CCCO4)CC(=O)N32)cc(OC)c1OC	ZINC000002149913	551777919	/nfs/dbraw/zinc/77/79/19/551777919.db2.gz	GKZSVBLZGICNGG-GYDRKIPBSA-N	0	0	505.571	3.058	50	0	biogenic	KGAARN
COc1cc([C@@H]2c3[nH]c4ccccc4c3C[C@@H]3C(=O)N(C[C@@H]4CCCO4)CC(=O)N32)cc(OC)c1OC	ZINC000002149916	551777938	/nfs/dbraw/zinc/77/79/38/551777938.db2.gz	GKZSVBLZGICNGG-JHACJNOPSA-N	0	0	505.571	3.058	50	0	biogenic	KGAARN
COc1cc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(CCCCCO)CC(=O)N32)cc(OC)c1OC	ZINC000002153558	551779366	/nfs/dbraw/zinc/77/93/66/551779366.db2.gz	XMNIUZONIYFANF-LVXARBLLSA-N	0	0	507.587	3.041	50	0	biogenic	KGAARN
COc1cc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(CCCCCO)CC(=O)N23)cc(OC)c1OC	ZINC000002153560	551779355	/nfs/dbraw/zinc/77/93/55/551779355.db2.gz	XMNIUZONIYFANF-HFZDXXHNSA-N	0	0	507.587	3.041	50	0	biogenic	KGAARN
CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc4c(c3)OCCO4)c(=O)n2[C@H]1c1ccc2c(c1)OCO2	ZINC000002162581	551781015	/nfs/dbraw/zinc/78/10/15/551781015.db2.gz	WRVKQMKLHZFGRH-FSFYKJEYSA-N	0	0	568.607	3.436	50	0		KGAARN
CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc4c(c3)OCCO4)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2	ZINC000002162584	551781012	/nfs/dbraw/zinc/78/10/12/551781012.db2.gz	WRVKQMKLHZFGRH-ZUCAMLDZSA-N	0	0	568.607	3.436	50	0		KGAARN
CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OC)c(O)c3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2	ZINC000002162702	551781104	/nfs/dbraw/zinc/78/11/04/551781104.db2.gz	NSGWRPMFWBPJDR-CJIXEESDSA-N	0	0	556.596	3.379	50	0		KGAARN
CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OC)c(O)c3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2	ZINC000002162706	551781140	/nfs/dbraw/zinc/78/11/40/551781140.db2.gz	NSGWRPMFWBPJDR-ZDZYTSRMSA-N	0	0	556.596	3.379	50	0		KGAARN
CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(O)c(OC)c3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2	ZINC000002162728	551781145	/nfs/dbraw/zinc/78/11/45/551781145.db2.gz	PLHZSRCUEFQWMX-CJIXEESDSA-N	0	0	556.596	3.379	50	0		KGAARN
CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(O)c(OC)c3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2	ZINC000002162732	551781096	/nfs/dbraw/zinc/78/10/96/551781096.db2.gz	PLHZSRCUEFQWMX-ZDZYTSRMSA-N	0	0	556.596	3.379	50	0		KGAARN
CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(OC)c(O)c(OC)c3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2	ZINC000002162747	551781136	/nfs/dbraw/zinc/78/11/36/551781136.db2.gz	XCOGTEDZJXWNIR-CJIXEESDSA-N	0	0	586.622	3.387	50	0		KGAARN
CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(OC)c(O)c(OC)c3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2	ZINC000002162753	551781123	/nfs/dbraw/zinc/78/11/23/551781123.db2.gz	XCOGTEDZJXWNIR-ZDZYTSRMSA-N	0	0	586.622	3.387	50	0		KGAARN
O=C(CSc1nnnn1Cc1ccccc1)Nc1ccc2nc(SCC(=O)NC3CC3)sc2c1	ZINC000002162792	551781148	/nfs/dbraw/zinc/78/11/48/551781148.db2.gz	RHFIXCKKYYGOKW-UHFFFAOYSA-N	0	0	511.658	3.433	50	0		KGAARN
CCCC1=C(C(=O)OCC)[C@@H](c2cccc(OC)c2)n2c(=O)/c(=C/c3ccc(C(=O)OC)cc3)sc2=N1	ZINC000002177430	551783614	/nfs/dbraw/zinc/78/36/14/551783614.db2.gz	NIRBBDITDAUZTA-DLBLZJNESA-N	0	0	520.607	3.374	50	0		KGAARN
CCCC1=C(C(=O)OCC)[C@H](c2cccc(OC)c2)n2c(=O)/c(=C/c3ccc(C(=O)OC)cc3)sc2=N1	ZINC000002177432	551783609	/nfs/dbraw/zinc/78/36/09/551783609.db2.gz	NIRBBDITDAUZTA-FCKOQQNDSA-N	0	0	520.607	3.374	50	0		KGAARN
O=C(NN1C(=O)[C@H]2[C@H](C1=O)C1(Br)c3ccccc3C2(Br)c2ccccc21)C1CC1	ZINC000002185876	551787150	/nfs/dbraw/zinc/78/71/50/551787150.db2.gz	MVUDCMMCGVRFOA-WZGNDQMWSA-N	0	0	516.189	3.333	50	0		KGAARN
O=C(NN1C(=O)[C@@H]2[C@@H](C1=O)C1(Br)c3ccccc3C2(Br)c2ccccc21)C1CC1	ZINC000002185879	551787181	/nfs/dbraw/zinc/78/71/81/551787181.db2.gz	MVUDCMMCGVRFOA-UOBYYGQQSA-N	0	0	516.189	3.333	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Br)cc3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2	ZINC000002188462	551788563	/nfs/dbraw/zinc/78/85/63/551788563.db2.gz	VZUIUXXPUZBZDC-LYFUXTGPSA-N	0	0	527.396	3.290	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Br)cc3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2	ZINC000002188464	551788575	/nfs/dbraw/zinc/78/85/75/551788575.db2.gz	VZUIUXXPUZBZDC-BYHQVZLYSA-N	0	0	527.396	3.290	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(I)cc3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2	ZINC000002188909	551788912	/nfs/dbraw/zinc/78/89/12/551788912.db2.gz	GQFQLKVNXCMYFV-LYFUXTGPSA-N	0	0	574.396	3.132	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(I)cc3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2	ZINC000002188911	551788951	/nfs/dbraw/zinc/78/89/51/551788951.db2.gz	GQFQLKVNXCMYFV-BYHQVZLYSA-N	0	0	574.396	3.132	50	0		KGAARN
CCOC(=O)COc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccccc2OCC)C(C(=O)OCC)=C(C)N=3)cc1	ZINC000002193019	551791340	/nfs/dbraw/zinc/79/13/40/551791340.db2.gz	MQXDPOHIUMQLHY-VFHYMGCCSA-N	0	0	550.633	3.139	50	0		KGAARN
CCOC(=O)COc1ccc(/C=c2\sc3n(c2=O)[C@H](c2ccccc2OCC)C(C(=O)OCC)=C(C)N=3)cc1	ZINC000002193021	551791302	/nfs/dbraw/zinc/79/13/02/551791302.db2.gz	MQXDPOHIUMQLHY-HZHYMEEXSA-N	0	0	550.633	3.139	50	0		KGAARN
CCCN1c2ccccc2/C(=c2/sc3n(c2=O)[C@H](c2cccs2)C(C(=O)OC(C)C)=C(C)N=3)C1=O	ZINC000002194834	551791710	/nfs/dbraw/zinc/79/17/10/551791710.db2.gz	INAKMVXYPSWHRF-SADKCHQCSA-N	0	0	507.637	3.375	50	0		KGAARN
CCCN1c2ccccc2/C(=c2/sc3n(c2=O)[C@@H](c2cccs2)C(C(=O)OC(C)C)=C(C)N=3)C1=O	ZINC000002194838	551791730	/nfs/dbraw/zinc/79/17/30/551791730.db2.gz	INAKMVXYPSWHRF-AGGMBTAESA-N	0	0	507.637	3.375	50	0		KGAARN
CCOC(=O)C1=c2s/c(=C\c3ccc(Cl)cc3)c(=O)n2C(N)=C(C(=O)OCC)[C@H]1c1ccc(Cl)cc1	ZINC000002197094	551792154	/nfs/dbraw/zinc/79/21/54/551792154.db2.gz	IPOZMEPMBZGRFY-CWDSQJGSSA-N	0	0	545.444	3.247	50	0		KGAARN
CCOC(=O)C1=c2s/c(=C\c3ccc(Cl)cc3)c(=O)n2C(N)=C(C(=O)OCC)[C@@H]1c1ccc(Cl)cc1	ZINC000002197097	551792152	/nfs/dbraw/zinc/79/21/52/551792152.db2.gz	IPOZMEPMBZGRFY-LJLZWOEMSA-N	0	0	545.444	3.247	50	0		KGAARN
CCOC(=O)C1=c2s/c(=C\c3ccccc3Cl)c(=O)n2C(N)=C(C(=O)OCC)[C@H]1c1ccccc1Cl	ZINC000002197143	551792100	/nfs/dbraw/zinc/79/21/00/551792100.db2.gz	NPOOUGQXBSIMDJ-CWDSQJGSSA-N	0	0	545.444	3.247	50	0		KGAARN
CCOC(=O)C1=c2s/c(=C\c3ccccc3Cl)c(=O)n2C(N)=C(C(=O)OCC)[C@@H]1c1ccccc1Cl	ZINC000002197145	551792211	/nfs/dbraw/zinc/79/22/11/551792211.db2.gz	NPOOUGQXBSIMDJ-LJLZWOEMSA-N	0	0	545.444	3.247	50	0		KGAARN
COc1ccc(-n2c(COc3ccccc3)nnc2SCC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1	ZINC000002204699	551793223	/nfs/dbraw/zinc/79/32/23/551793223.db2.gz	IZJHDVUTUYMBKD-UHFFFAOYSA-N	0	0	525.612	3.233	50	0		KGAARN
Cc1cc(Cl)cc2c1NC(=O)[C@@]21[NH2+][C@H](CCC(=O)[O-])[C@H]2C(=O)N(Cc3ccccc3Cl)C(=O)[C@H]21	ZINC000002206083	551793444	/nfs/dbraw/zinc/79/34/44/551793444.db2.gz	ASQBAJXZDOUNMK-SYSFZUQMSA-N	0	0	502.354	3.087	50	0		KGAARN
Cc1cc(Cl)cc2c1NC(=O)[C@]21[NH2+][C@H](CCC(=O)[O-])[C@H]2C(=O)N(Cc3ccccc3Cl)C(=O)[C@H]21	ZINC000002206084	551793467	/nfs/dbraw/zinc/79/34/67/551793467.db2.gz	ASQBAJXZDOUNMK-BKJGLDIHSA-N	0	0	502.354	3.087	50	0		KGAARN
Cc1cc(Cl)cc2c1NC(=O)[C@@]21[NH2+][C@@H](CCC(=O)[O-])[C@H]2C(=O)N(Cc3ccccc3Cl)C(=O)[C@H]21	ZINC000002206085	551793456	/nfs/dbraw/zinc/79/34/56/551793456.db2.gz	ASQBAJXZDOUNMK-NARGUJOISA-N	0	0	502.354	3.087	50	0		KGAARN
Cc1cc(Cl)cc2c1NC(=O)[C@]21[NH2+][C@@H](CCC(=O)[O-])[C@H]2C(=O)N(Cc3ccccc3Cl)C(=O)[C@H]21	ZINC000002206086	551793471	/nfs/dbraw/zinc/79/34/71/551793471.db2.gz	ASQBAJXZDOUNMK-DOGKRZLPSA-N	0	0	502.354	3.087	50	0		KGAARN
NS(=O)(=O)c1ccc(NC(=O)CSc2nnc(-c3ccncc3)n2-c2ccc(Cl)cc2)cc1	ZINC000002212635	551794477	/nfs/dbraw/zinc/79/44/77/551794477.db2.gz	NQTSYDNRGOXDDO-UHFFFAOYSA-N	0	0	500.993	3.361	50	0		KGAARN
Cc1ccccc1-n1c(=O)c2cc(I)ccc2nc1SCC(=O)N1CCOCC1	ZINC000002214414	551794900	/nfs/dbraw/zinc/79/49/00/551794900.db2.gz	JHYHZYLAGSQKDP-UHFFFAOYSA-N	0	0	521.380	3.250	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)ccc3OC(C)=O)c(=O)n2[C@H]1c1ccccc1	ZINC000002217898	551795362	/nfs/dbraw/zinc/79/53/62/551795362.db2.gz	MLEBHNZHOZEGNV-WLJFKGHSSA-N	0	0	541.423	3.486	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)ccc3OC(C)=O)c(=O)n2[C@@H]1c1ccccc1	ZINC000002217901	551795344	/nfs/dbraw/zinc/79/53/44/551795344.db2.gz	MLEBHNZHOZEGNV-VLOXRPPESA-N	0	0	541.423	3.486	50	0		KGAARN
COc1ccc(OCC(=O)Nc2cc(-c3nn(C)c(=O)c4ccccc43)ccc2N2CCOCC2)cc1	ZINC000002221433	551796225	/nfs/dbraw/zinc/79/62/25/551796225.db2.gz	MIUNZUXIUVUVNI-UHFFFAOYSA-N	0	0	500.555	3.463	50	0		KGAARN
CC(=O)Nc1ccc(NC(=O)CSc2nnc3n2c2sc4c(c2c(=O)n3C)CC(C)(C)OC4)cc1	ZINC000002223296	551796393	/nfs/dbraw/zinc/79/63/93/551796393.db2.gz	SURVCLDNZPSIGR-UHFFFAOYSA-N	0	0	512.617	3.183	50	0		KGAARN
CCCCOC(=O)C1=C(N)n2c(=O)/c(=C/c3ccc(C)cc3)sc2=C(C(=O)OCC)[C@H]1c1ccc(C)cc1	ZINC000002224645	551796661	/nfs/dbraw/zinc/79/66/61/551796661.db2.gz	BPOULWUZOCBDGV-RJYQMNAMSA-N	0	0	532.662	3.337	50	0		KGAARN
CCCCOC(=O)C1=C(N)n2c(=O)/c(=C/c3ccc(C)cc3)sc2=C(C(=O)OCC)[C@@H]1c1ccc(C)cc1	ZINC000002224649	551796682	/nfs/dbraw/zinc/79/66/82/551796682.db2.gz	BPOULWUZOCBDGV-IYTCMIDZSA-N	0	0	532.662	3.337	50	0		KGAARN
Cc1cccc(-n2c(=O)c3cc(I)ccc3nc2SCC(=O)N2CCOCC2)c1	ZINC000002224665	551796687	/nfs/dbraw/zinc/79/66/87/551796687.db2.gz	VCEOCHBPBCIWDO-UHFFFAOYSA-N	0	0	521.380	3.250	50	0		KGAARN
NS(=O)(=O)c1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccc(Cl)cc2)cc1	ZINC000002224927	551796663	/nfs/dbraw/zinc/79/66/63/551796663.db2.gz	WJUBHMWKRGTJPD-UHFFFAOYSA-N	0	0	500.989	3.417	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(I)cc3)c(=O)n2[C@H]1c1cccs1	ZINC000002228488	552082084	/nfs/dbraw/zinc/08/20/84/552082084.db2.gz	YYVZIOHLANMVOI-QMJOVRGKSA-N	0	0	536.416	3.464	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(I)cc3)c(=O)n2[C@@H]1c1cccs1	ZINC000002228492	552082054	/nfs/dbraw/zinc/08/20/54/552082054.db2.gz	YYVZIOHLANMVOI-MUMAZLPKSA-N	0	0	536.416	3.464	50	0		KGAARN
NS(=O)(=O)c1ccc(NC(=O)CSc2nnc(-c3ccccn3)n2-c2ccc(Cl)cc2)cc1	ZINC000002230097	551797325	/nfs/dbraw/zinc/79/73/25/551797325.db2.gz	JWYUJLHLLNFCEJ-UHFFFAOYSA-N	0	0	500.993	3.361	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(Br)c3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2	ZINC000002236667	552082929	/nfs/dbraw/zinc/08/29/29/552082929.db2.gz	CZYPDOIYVLOYOZ-LYFUXTGPSA-N	0	0	527.396	3.290	50	0		KGAARN
Nc1c(S(=O)(=O)c2ccc(F)cc2)c2nc3ccccc3nc2n1CCc1ccc(S(N)(=O)=O)cc1	ZINC000002246173	551799859	/nfs/dbraw/zinc/79/98/59/551799859.db2.gz	YGXVDDISFYLOBT-UHFFFAOYSA-N	0	0	525.587	3.029	50	0		KGAARN
COc1ccc(Cc2nn3c(nc2=O)s/c(=C\c2ccc(OCc4ccccc4)c(OC)c2)c3=O)cc1	ZINC000002250209	551801586	/nfs/dbraw/zinc/80/15/86/551801586.db2.gz	KVAPLOZQYKEYMF-XYGWBWBKSA-N	0	0	513.575	3.246	50	0		KGAARN
Nc1c(C(=O)NCc2ccccc2Cl)c2nc3ccccc3nc2n1-c1ccc(S(N)(=O)=O)cc1	ZINC000002253429	551801941	/nfs/dbraw/zinc/80/19/41/551801941.db2.gz	UIJUFPPFWLAUCH-UHFFFAOYSA-N	0	0	506.975	3.387	50	0		KGAARN
Nc1c(C(=O)NCc2ccc(Cl)cc2)c2nc3ccccc3nc2n1-c1ccc(S(N)(=O)=O)cc1	ZINC000002253544	551801966	/nfs/dbraw/zinc/80/19/66/551801966.db2.gz	DOOODOFZNXJKIH-UHFFFAOYSA-N	0	0	506.975	3.387	50	0		KGAARN
CS(=O)(=O)CC[C@@H](C(=O)Oc1ccc(-c2cnc3ccccc3n2)cc1)N1C(=O)c2ccccc2C1=O	ZINC000002256013	551802847	/nfs/dbraw/zinc/80/28/47/551802847.db2.gz	LRQWAKDLKXJYJZ-DEOSSOPVSA-N	0	0	515.547	3.302	50	0		KGAARN
CS(=O)(=O)CC[C@H](C(=O)Oc1ccc(-c2cnc3ccccc3n2)cc1)N1C(=O)c2ccccc2C1=O	ZINC000002256014	551802834	/nfs/dbraw/zinc/80/28/34/551802834.db2.gz	LRQWAKDLKXJYJZ-XMMPIXPASA-N	0	0	515.547	3.302	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC(C)=O)c(OCC)c3)c(=O)n2[C@@H]1c1ccccc1OC	ZINC000002258438	551803403	/nfs/dbraw/zinc/80/34/03/551803403.db2.gz	BDVVJUGKHWKCPH-LWUPDDLQSA-N	0	0	536.606	3.131	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC(C)=O)c(OCC)c3)c(=O)n2[C@H]1c1ccccc1OC	ZINC000002258440	551803383	/nfs/dbraw/zinc/80/33/83/551803383.db2.gz	BDVVJUGKHWKCPH-GJFKPFFXSA-N	0	0	536.606	3.131	50	0		KGAARN
NS(=O)(=O)c1ccc(NC(=O)CSc2nnc(-c3cccnc3)n2-c2ccc(Br)cc2)cc1	ZINC000002260214	552083675	/nfs/dbraw/zinc/08/36/75/552083675.db2.gz	APNHNJOPQKAHJR-UHFFFAOYSA-N	0	0	545.444	3.470	50	0		KGAARN
CCn1cc(C(=O)OCC(=O)Nc2ccc(Br)cc2)c(=O)c2cc(F)c(N3CCN(C)CC3)cc21	ZINC000002274512	552086042	/nfs/dbraw/zinc/08/60/42/552086042.db2.gz	JPBQFBARFYKRLT-UHFFFAOYSA-N	0	0	545.409	3.470	50	0		KGAARN
CCn1cc(C(=O)NCc2ccc3c(c2)OCO3)c(=O)c2cc(F)c(N3CCN(C(=O)c4ccco4)CC3)cc21	ZINC000002275480	552086448	/nfs/dbraw/zinc/08/64/48/552086448.db2.gz	HFVJPKMIEIVTCZ-UHFFFAOYSA-N	0	0	546.555	3.375	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C3/c4ccccc4N(CC)C3=O)c(=O)n2[C@@H]1c1ccccc1Cl	ZINC000002278554	551805754	/nfs/dbraw/zinc/80/57/54/551805754.db2.gz	GDFLMUYHFTXZCP-SADKCHQCSA-N	0	0	507.999	3.188	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C3/c4ccccc4N(CC)C3=O)c(=O)n2[C@H]1c1ccccc1Cl	ZINC000002278556	551805696	/nfs/dbraw/zinc/80/56/96/551805696.db2.gz	GDFLMUYHFTXZCP-AGGMBTAESA-N	0	0	507.999	3.188	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)cc(OC)c3O)c(=O)n2[C@H]1c1cccs1	ZINC000002278916	551805830	/nfs/dbraw/zinc/80/58/30/551805830.db2.gz	YXLSGUOIYJINBE-VUZIPCMWSA-N	0	0	535.441	3.337	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccs3)c(=O)n2[C@H]1c1ccc(OC(C)=O)c(OCC)c1	ZINC000002287474	551807076	/nfs/dbraw/zinc/80/70/76/551807076.db2.gz	HHRWEAHRRYFBRN-WLJFKGHSSA-N	0	0	512.609	3.184	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccs3)c(=O)n2[C@@H]1c1ccc(OC(C)=O)c(OCC)c1	ZINC000002287476	551807066	/nfs/dbraw/zinc/80/70/66/551807066.db2.gz	HHRWEAHRRYFBRN-VLOXRPPESA-N	0	0	512.609	3.184	50	0		KGAARN
O=C1c2ccc(Oc3ccc(Oc4ccc5c(c4)C(=O)N(CCCO)C5=O)cc3)cc2C(=O)N1CCCO	ZINC000002293341	552088926	/nfs/dbraw/zinc/08/89/26/552088926.db2.gz	ZAVLWVKEQVNKPE-UHFFFAOYSA-N	0	0	516.506	3.228	50	0		KGAARN
CCOC(=O)C1=C(c2ccccc2)OC(N)=C(C(=O)OCCOC)[C@@]12c1cc(Br)ccc1NC2=O	ZINC000002296186	552089480	/nfs/dbraw/zinc/08/94/80/552089480.db2.gz	GMOFPNKANMIQAP-RUZDIDTESA-N	0	0	543.370	3.004	50	0		KGAARN
CCOC(=O)CNS(=O)(=O)c1cc(-c2nnc(Nc3ccc(OC)c(C(N)=O)c3)c3ccccc32)ccc1C	ZINC000002297766	552089833	/nfs/dbraw/zinc/08/98/33/552089833.db2.gz	MQKLYIVEGBNYFI-UHFFFAOYSA-N	0	0	549.609	3.298	50	0		KGAARN
CCOC(=O)CNS(=O)(=O)c1cc(-c2nnc(Nc3ccc(OCC(N)=O)cc3)c3ccccc32)ccc1C	ZINC000002298997	551807415	/nfs/dbraw/zinc/80/74/15/551807415.db2.gz	IFDBMUQVXOCSEO-UHFFFAOYSA-N	0	0	549.609	3.054	50	0		KGAARN
O=C(CN1C(=O)/C(=C2/SC(=S)N([C@@H]3CCS(=O)(=O)C3)C2=O)c2ccccc21)Nc1ccc(Cl)cc1	ZINC000002301909	1059660254	/nfs/dbraw/zinc/66/02/54/1059660254.db2.gz	FVDZCERBKPMJIS-FZFLATATSA-N	0	0	548.067	3.084	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N4CCCCC4)o3)c(=O)n2[C@H]1c1cc(OC)ccc1OC	ZINC000002305188	552090129	/nfs/dbraw/zinc/09/01/29/552090129.db2.gz	MTPDPHNFEVQQTL-YVVITCHPSA-N	0	0	537.638	3.399	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N4CCCCC4)o3)c(=O)n2[C@@H]1c1cc(OC)ccc1OC	ZINC000002305190	552090071	/nfs/dbraw/zinc/09/00/71/552090071.db2.gz	MTPDPHNFEVQQTL-GJISQHIDSA-N	0	0	537.638	3.399	50	0		KGAARN
COCCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OC)c3OC)c(=O)n2[C@@H]1c1ccccc1Cl	ZINC000002305856	552090334	/nfs/dbraw/zinc/09/03/34/552090334.db2.gz	OQILUKQKKNCNIB-FBHQFGEZSA-N	0	0	529.014	3.095	50	0		KGAARN
COCCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OC)c3OC)c(=O)n2[C@H]1c1ccccc1Cl	ZINC000002305858	552090354	/nfs/dbraw/zinc/09/03/54/552090354.db2.gz	OQILUKQKKNCNIB-PZHBDVNGSA-N	0	0	529.014	3.095	50	0		KGAARN
CCCc1nn(C)c2c1nc(-c1cc(S(=O)(=O)N[C@@H](C)[C@H](O)c3ccccc3)ccc1OCC)[nH]c2=O	ZINC000002314310	552092254	/nfs/dbraw/zinc/09/22/54/552092254.db2.gz	ZKVRMCFRPFXFQM-FYSMJZIKSA-N	0	0	525.631	3.075	50	0		KGAARN
Cc1ccc(-c2nnc(Nc3ccc(OCC(N)=O)cc3)c3ccccc32)cc1S(=O)(=O)NC(C)(C)CO	ZINC000002325490	552095120	/nfs/dbraw/zinc/09/51/20/552095120.db2.gz	CKBZWQJYYCPQFK-UHFFFAOYSA-N	0	0	535.626	3.262	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N4CCCCC4)o3)c(=O)n2[C@H]1c1ccc(OC)cc1OC	ZINC000002333571	552096566	/nfs/dbraw/zinc/09/65/66/552096566.db2.gz	NBWXBRKZDKNJHO-YVVITCHPSA-N	0	0	537.638	3.399	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N4CCCCC4)o3)c(=O)n2[C@@H]1c1ccc(OC)cc1OC	ZINC000002333576	552096578	/nfs/dbraw/zinc/09/65/78/552096578.db2.gz	NBWXBRKZDKNJHO-GJISQHIDSA-N	0	0	537.638	3.399	50	0		KGAARN
O=C1C[C@H](N(O)[C@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2=O)C(=O)N1c1cccc(C(F)(F)F)c1	ZINC000002335221	552096883	/nfs/dbraw/zinc/09/68/83/552096883.db2.gz	SCQXSGRWIAJYBY-HOTGVXAUSA-N	0	0	515.366	3.379	50	0		KGAARN
Cc1cc(C)nc(SCc2nnc(SCC(=O)Nc3ccc(S(N)(=O)=O)cc3)n2-c2ccccc2)n1	ZINC000002335734	552096888	/nfs/dbraw/zinc/09/68/88/552096888.db2.gz	JWTYMPBUWOZKTI-UHFFFAOYSA-N	0	0	541.684	3.345	50	0		KGAARN
CCOC(=O)[C@@H]1[C@@H](c2ccc(OC)cc2)C2(C(=O)OC3(CCCC3)OC2=O)[C@H]2c3ccccc3C=NN21	ZINC000002335955	552097031	/nfs/dbraw/zinc/09/70/31/552097031.db2.gz	ACCXFIARLJRVLD-XPWALMASSA-N	0	0	504.539	3.472	50	0		KGAARN
CCOC(=O)[C@@H]1[C@@H](c2ccc(OC)cc2)C2(C(=O)OC3(CCCC3)OC2=O)[C@@H]2c3ccccc3C=NN12	ZINC000002335957	552097122	/nfs/dbraw/zinc/09/71/22/552097122.db2.gz	ACCXFIARLJRVLD-VJBWXMMDSA-N	0	0	504.539	3.472	50	0		KGAARN
COc1ccc(-c2nc3s/c(=C4/c5ccccc5N(Cc5ccc(F)cc5)C4=O)c(=O)n3n2)cc1OC	ZINC000002337137	552097342	/nfs/dbraw/zinc/09/73/42/552097342.db2.gz	KGKCAZUEQMHQPC-FCQUAONHSA-N	0	0	514.538	3.439	50	0		KGAARN
Cc1ccc(-c2nnc(Nc3ccc(C(N)=O)cc3)c3ccccc32)cc1S(=O)(=O)NC(C)(C)CO	ZINC000002339154	552097762	/nfs/dbraw/zinc/09/77/62/552097762.db2.gz	FUPIBYPZVVNRAJ-UHFFFAOYSA-N	0	0	505.600	3.497	50	0		KGAARN
COc1ccc(-n2c(Cc3cccs3)nnc2SCC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1	ZINC000002342590	552098309	/nfs/dbraw/zinc/09/83/09/552098309.db2.gz	SZUDIVQQUFQPBY-UHFFFAOYSA-N	0	0	515.642	3.306	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCC)cc3)c(=O)n2[C@@H]1c1cc(OC)ccc1OC	ZINC000002355549	552100815	/nfs/dbraw/zinc/10/08/15/552100815.db2.gz	PCUHIOHPEZTSMB-IGSWSUAKSA-N	0	0	508.596	3.214	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCC)cc3)c(=O)n2[C@H]1c1cc(OC)ccc1OC	ZINC000002355552	552101056	/nfs/dbraw/zinc/10/10/56/552101056.db2.gz	PCUHIOHPEZTSMB-YMSBRDKKSA-N	0	0	508.596	3.214	50	0		KGAARN
COc1ccc(C(=O)NCCn2c(N)c(S(=O)(=O)c3ccccc3)c3nc4ccccc4nc32)cc1	ZINC000002355668	552100979	/nfs/dbraw/zinc/10/09/79/552100979.db2.gz	VWIKKZNRFYCWKB-UHFFFAOYSA-N	0	0	501.568	3.438	50	0		KGAARN
CCOc1ccc(-n2c(SCC(=O)Nc3ccc(S(N)(=O)=O)cc3)nc3ccccc3c2=O)cc1	ZINC000002365934	552103780	/nfs/dbraw/zinc/10/37/80/552103780.db2.gz	MVGDCZREENDOMU-UHFFFAOYSA-N	0	0	510.597	3.163	50	0		KGAARN
CCOC(=O)CNC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccc(OCC)cc1)CCCC3	ZINC000002368593	552104569	/nfs/dbraw/zinc/10/45/69/552104569.db2.gz	KLWPGTPHBDUKKO-UHFFFAOYSA-N	0	0	501.630	3.496	50	0		KGAARN
Cc1ccc(S(=O)(=O)c2c(N)n(CCc3ccc(S(N)(=O)=O)cc3)c3nc4ccccc4nc32)cc1	ZINC000002369999	552105107	/nfs/dbraw/zinc/10/51/07/552105107.db2.gz	XWGGSBJDSYOUBX-UHFFFAOYSA-N	0	0	521.624	3.198	50	0		KGAARN
COc1cc(C(=O)Nn2c(N)c(S(=O)(=O)c3ccccc3)c3nc4ccccc4nc32)cc(OC)c1OC	ZINC000002373755	552105953	/nfs/dbraw/zinc/10/59/53/552105953.db2.gz	FPUFIQMSODFTMY-UHFFFAOYSA-N	0	0	533.566	3.409	50	0		KGAARN
CCN1c2ccccc2/C(=c2/sc3n(c2=O)[C@H](c2cccs2)C(C(=O)OCC(C)C)=C(C)N=3)C1=O	ZINC000002377430	552106956	/nfs/dbraw/zinc/10/69/56/552106956.db2.gz	UXYUDQKELRITAE-SADKCHQCSA-N	0	0	507.637	3.233	50	0		KGAARN
COc1ccc(-c2nc3s/c(=C4/c5ccccc5N(Cc5ccccc5F)C4=O)c(=O)n3n2)cc1OC	ZINC000002396512	552110181	/nfs/dbraw/zinc/11/01/81/552110181.db2.gz	VPDZVMGHIOFMAA-FCQUAONHSA-N	0	0	514.538	3.439	50	0		KGAARN
CCCOc1ccc(Cc2nn3c(=O)/c(=C/c4cc(Br)ccc4OC)sc3nc2=O)cc1	ZINC000002404411	552111952	/nfs/dbraw/zinc/11/19/52/552111952.db2.gz	MNSQOUSYEBKOOV-MOSHPQCFSA-N	0	0	514.401	3.210	50	0		KGAARN
CCCOc1ccc(Cc2nn3c(nc2=O)s/c(=C\c2ccc(OCC(C)C)c(OC)c2)c3=O)cc1	ZINC000002419544	552115540	/nfs/dbraw/zinc/11/55/40/552115540.db2.gz	QQDTZGKHBQNXHU-IWIPYMOSSA-N	0	0	507.612	3.482	50	0		KGAARN
COc1cc(-c2nnc(SCC(=O)Nc3ccc(C)cc3Br)n2N)cc(OC)c1OC	ZINC000002438009	552119022	/nfs/dbraw/zinc/11/90/22/552119022.db2.gz	MZPRTXAGJUXQCK-UHFFFAOYSA-N	0	0	508.398	3.486	50	0		KGAARN
Cc1sc2nc(SCC(=O)Nc3ccc(S(N)(=O)=O)cc3)n(Cc3ccco3)c(=O)c2c1C	ZINC000002438211	552119254	/nfs/dbraw/zinc/11/92/54/552119254.db2.gz	OUDIGKQTHYVNAT-UHFFFAOYSA-N	0	0	504.615	3.094	50	0		KGAARN
COc1ccccc1-c1nc2s/c(=C\c3cc(Br)c(OC(C)=O)c(OC)c3)c(=O)n2n1	ZINC000002438844	552119224	/nfs/dbraw/zinc/11/92/24/552119224.db2.gz	IGNHBXWWLAVAKO-YVLHZVERSA-N	0	0	502.346	3.071	50	0		KGAARN
CSc1nc2c(sc3nc(N4CCOCC4)c4c(c32)CC(C)(C)OC4)c(N2CCN(C)CC2)n1	ZINC000002441364	552119750	/nfs/dbraw/zinc/11/97/50/552119750.db2.gz	BCWCTYKPHXRMHY-UHFFFAOYSA-N	0	0	500.694	3.401	50	0		KGAARN
COc1ccc(-n2c(SCC(=O)Nc3ccc(S(N)(=O)=O)cc3)nnc2-c2cccs2)cc1	ZINC000002442261	552119938	/nfs/dbraw/zinc/11/99/38/552119938.db2.gz	OTURAYGPQABYHP-UHFFFAOYSA-N	0	0	501.615	3.383	50	0		KGAARN
COc1ccc(-c2nnc(SCC(=O)Nc3ccc(S(N)(=O)=O)cc3)n2-c2ccc(OC)cc2)cc1	ZINC000002445835	552120985	/nfs/dbraw/zinc/12/09/85/552120985.db2.gz	RTMHQQJSYKCBLY-UHFFFAOYSA-N	0	0	525.612	3.330	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(Br)c3)c(=O)n2[C@H]1c1ccc(C(=O)OC)cc1	ZINC000002508830	552126308	/nfs/dbraw/zinc/12/63/08/552126308.db2.gz	YNMTXMWABYWKDJ-FNGUVFISSA-N	0	0	541.423	3.347	50	0		KGAARN
Cc1ccc(S(=O)(=O)/C(=C/c2ccc(/C=C(/NC=O)S(=O)(=O)c3ccc(C)cc3)cc2)NC=O)cc1	ZINC000002519514	552127072	/nfs/dbraw/zinc/12/70/72/552127072.db2.gz	BZFRPPQQTZDOLL-WFOJNGAISA-N	0	0	524.620	3.340	50	0		KGAARN
COC(=O)Cc1cc(OC)c(OC)cc1S(=O)(=O)N1CCCN(c2ncc(C(F)(F)F)cc2Cl)CC1	ZINC000002571119	552130382	/nfs/dbraw/zinc/13/03/82/552130382.db2.gz	AHIQIJCWKLNKOB-UHFFFAOYSA-N	0	0	551.971	3.388	50	0		KGAARN
O=C(N[C@]1(C(F)(F)F)C(=O)Nc2c1c(=O)[nH]c(=O)n2Cc1ccccc1)c1ccc(Cl)cc1Cl	ZINC000002591079	552132704	/nfs/dbraw/zinc/13/27/04/552132704.db2.gz	OHLMTMVIJJPTHW-FQEVSTJZSA-N	0	0	513.259	3.031	50	0		KGAARN
O=C(N[C@@]1(C(F)(F)F)C(=O)Nc2c1c(=O)[nH]c(=O)n2Cc1ccccc1)c1ccc(Cl)cc1Cl	ZINC000002591080	552132676	/nfs/dbraw/zinc/13/26/76/552132676.db2.gz	OHLMTMVIJJPTHW-HXUWFJFHSA-N	0	0	513.259	3.031	50	0		KGAARN
COc1cc(/C=C2\SC(N3CCN(C4=NC(=O)/C(=C/c5ccc(O)c(OC)c5)S4)CC3)=NC2=O)ccc1O	ZINC000002593193	552133284	/nfs/dbraw/zinc/13/32/84/552133284.db2.gz	HXWHTENFBMLRKJ-JZTLMNBPSA-N	0	0	552.634	3.373	50	0		KGAARN
CCOC(=O)C1=c2s/c(=C\c3c(F)cccc3Cl)c(=O)n2C(N)=C(C(=O)OC)[C@H]1c1c(F)cccc1Cl	ZINC000002604590	552135502	/nfs/dbraw/zinc/13/55/02/552135502.db2.gz	WGEITLFRJBIVQL-CFINBHSISA-N	0	0	567.397	3.135	50	0		KGAARN
CCOC(=O)C1=c2s/c(=C\c3c(F)cccc3Cl)c(=O)n2C(N)=C(C(=O)OC)[C@@H]1c1c(F)cccc1Cl	ZINC000002604592	552135469	/nfs/dbraw/zinc/13/54/69/552135469.db2.gz	WGEITLFRJBIVQL-FJJYYWMZSA-N	0	0	567.397	3.135	50	0		KGAARN
Cc1c(NC(=O)Cn2c3cc(Cl)ccc3n(Cc3ccccc3)c(=O)c2=O)c(=O)n(-c2ccccc2)n1C	ZINC000002617794	552137283	/nfs/dbraw/zinc/13/72/83/552137283.db2.gz	HGPXHBDEORDGDV-UHFFFAOYSA-N	0	0	529.984	3.301	50	0		KGAARN
CS(=O)(=O)c1ccc(Cl)c(NC(=O)COC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCC3)c2)c1	ZINC000002618150	552137336	/nfs/dbraw/zinc/13/73/36/552137336.db2.gz	UMFLQBWREGCCAX-UHFFFAOYSA-N	0	0	549.454	3.367	50	0		KGAARN
Cc1c(NC(=O)[C@@H](C)OC(=O)c2nn(CCC(C)C)c(=O)c3ccccc32)c(=O)n(-c2ccccc2)n1C	ZINC000002619866	552137502	/nfs/dbraw/zinc/13/75/02/552137502.db2.gz	PGTSCHNEXVRDNJ-LJQANCHMSA-N	0	0	517.586	3.424	50	0		KGAARN
Cc1c(NC(=O)[C@H](C)OC(=O)c2nn(CCC(C)C)c(=O)c3ccccc32)c(=O)n(-c2ccccc2)n1C	ZINC000002619867	552137559	/nfs/dbraw/zinc/13/75/59/552137559.db2.gz	PGTSCHNEXVRDNJ-IBGZPJMESA-N	0	0	517.586	3.424	50	0		KGAARN
COc1ccc(/C=C2/N=C(SCC(=O)OCn3nnc4ccccc4c3=O)N(Cc3ccccc3)C2=O)cc1	ZINC000002621048	552137987	/nfs/dbraw/zinc/13/79/87/552137987.db2.gz	DUEDGRXMHZTBCH-BUVRLJJBSA-N	0	0	541.589	3.474	50	0		KGAARN
COc1ccc(/C=C2\N=C(SCC(=O)OCn3nnc4ccccc4c3=O)N(Cc3ccccc3)C2=O)cc1	ZINC000002621049	552137926	/nfs/dbraw/zinc/13/79/26/552137926.db2.gz	DUEDGRXMHZTBCH-IWIPYMOSSA-N	0	0	541.589	3.474	50	0		KGAARN
CCCCN(C(=O)c1ccc(S(=O)(=O)N(C)c2ccccc2)cc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	ZINC000002621133	552137954	/nfs/dbraw/zinc/13/79/54/552137954.db2.gz	QLQZXRXUNALVGA-UHFFFAOYSA-N	0	0	561.664	3.439	50	0		KGAARN
O=C1OCC[C@@H]1Sc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)n1-c1cccc(Cl)c1	ZINC000002621761	552138028	/nfs/dbraw/zinc/13/80/28/552138028.db2.gz	AFXVAMRNDIJUSC-IBGZPJMESA-N	0	0	521.020	3.016	50	0		KGAARN
O=C1OCC[C@H]1Sc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)n1-c1cccc(Cl)c1	ZINC000002621762	552138141	/nfs/dbraw/zinc/13/81/41/552138141.db2.gz	AFXVAMRNDIJUSC-LJQANCHMSA-N	0	0	521.020	3.016	50	0		KGAARN
O=C(COC(=O)C1c2ccccc2Oc2ccccc21)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1	ZINC000002623149	552138401	/nfs/dbraw/zinc/13/84/01/552138401.db2.gz	QHPLVDWPHBPMEK-UHFFFAOYSA-N	0	0	508.552	3.127	50	0		KGAARN
CCN(CC)S(=O)(=O)c1ccc(C)c(-n2c3sc(C(=O)c4cc(F)ccc4F)c(N)c3c(=O)[nH]c2=O)c1	ZINC000002624821	552138759	/nfs/dbraw/zinc/13/87/59/552138759.db2.gz	ZONPGOVKVJDYLY-UHFFFAOYSA-N	0	0	548.593	3.171	50	0		KGAARN
Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)OCC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1	ZINC000002625278	552138649	/nfs/dbraw/zinc/13/86/49/552138649.db2.gz	XOKRNFIDVJOVHI-UHFFFAOYSA-N	0	0	547.033	3.018	50	0		KGAARN
O=C(COC(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1)N1CCc2ccccc2C1	ZINC000002626663	552138851	/nfs/dbraw/zinc/13/88/51/552138851.db2.gz	LYTIYFXASYSVSJ-UHFFFAOYSA-N	0	0	508.552	3.000	50	0		KGAARN
CCCn1c(N)c(N2CCOCC2)c(=O)n(CC(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)c1=O	ZINC000002627301	552138939	/nfs/dbraw/zinc/13/89/39/552138939.db2.gz	RAVCPHAYBPWJRN-UHFFFAOYSA-N	0	0	534.642	3.063	50	0		KGAARN
CCn1c(CSc2nc3ccccc3s2)nnc1SCC(=O)NCCc1ccc(S(N)(=O)=O)cc1	ZINC000002630832	552139656	/nfs/dbraw/zinc/13/96/56/552139656.db2.gz	FUNHAUFSHNMEPT-UHFFFAOYSA-N	0	0	548.741	3.298	50	0		KGAARN
O=C1N[C@@]2(CCOc3ccccc32)C(=O)N1Cc1ccc(CN2C(=O)N[C@]3(CCOc4ccccc43)C2=O)cc1	ZINC000002630990	552139678	/nfs/dbraw/zinc/13/96/78/552139678.db2.gz	RETVSAMVIOVYIY-RNPORBBMSA-N	0	0	538.560	3.146	50	0		KGAARN
O=C1N[C@@]2(CCOc3ccccc32)C(=O)N1Cc1ccc(CN2C(=O)N[C@@]3(CCOc4ccccc43)C2=O)cc1	ZINC000002630991	552139658	/nfs/dbraw/zinc/13/96/58/552139658.db2.gz	RETVSAMVIOVYIY-LOYHVIPDSA-N	0	0	538.560	3.146	50	0		KGAARN
O=C1N[C@]2(CCOc3ccccc32)C(=O)N1Cc1ccc(CN2C(=O)N[C@]3(CCOc4ccccc43)C2=O)cc1	ZINC000002630992	552139709	/nfs/dbraw/zinc/13/97/09/552139709.db2.gz	RETVSAMVIOVYIY-KYJUHHDHSA-N	0	0	538.560	3.146	50	0		KGAARN
Cc1cccc(-n2c(SCC(=O)Nc3ccc(C(N)=O)cc3)nnc2-c2cccc(S(=O)(=O)N(C)C)c2)c1	ZINC000002633533	552140546	/nfs/dbraw/zinc/14/05/46/552140546.db2.gz	MQRROVIQRFUNRY-UHFFFAOYSA-N	0	0	550.666	3.323	50	0		KGAARN
CCN(CC)S(=O)(=O)c1cccc(C(=O)N[C@H](C(=O)OCc2nc3sc(C)c(C)c3c(=O)[nH]2)C(C)C)c1	ZINC000002633629	552140463	/nfs/dbraw/zinc/14/04/63/552140463.db2.gz	INUVMWXOWPRACY-NRFANRHFSA-N	0	0	548.687	3.130	50	0		KGAARN
CCN(CC)S(=O)(=O)c1cccc(C(=O)N[C@@H](C(=O)OCc2nc3sc(C)c(C)c3c(=O)[nH]2)C(C)C)c1	ZINC000002633630	552140488	/nfs/dbraw/zinc/14/04/88/552140488.db2.gz	INUVMWXOWPRACY-OAQYLSRUSA-N	0	0	548.687	3.130	50	0		KGAARN
COCCn1c(SCC(=O)Nc2ccc(S(N)(=O)=O)cc2)nc2scc(-c3ccc(F)cc3)c2c1=O	ZINC000002636650	552141271	/nfs/dbraw/zinc/14/12/71/552141271.db2.gz	KLYQFKCYBSMDDF-UHFFFAOYSA-N	0	0	548.643	3.289	50	0		KGAARN
O=C(CSc1nc2cc(Cl)ccc2c(=O)n1Cc1ccco1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1	ZINC000002637129	552141316	/nfs/dbraw/zinc/14/13/16/552141316.db2.gz	JUHRPZXRFKCMPS-UHFFFAOYSA-N	0	0	575.068	3.443	50	0	aggregator	KGAARN
NC(=O)c1c2c(sc1NC(=O)COC(=O)c1ccc(S(=O)(=O)N3CCCCCC3)cc1)CCCC2	ZINC000002637728	552141662	/nfs/dbraw/zinc/14/16/62/552141662.db2.gz	MJOBCIDTGSYTAH-UHFFFAOYSA-N	0	0	519.645	3.086	50	0		KGAARN
Cc1c(-n2c(SCn3nnc4ccccc4c3=O)nc3ccccc3c2=O)c(=O)n(-c2ccccc2)n1C	ZINC000002639392	552142289	/nfs/dbraw/zinc/14/22/89/552142289.db2.gz	PARBWMCYWPYZID-UHFFFAOYSA-N	0	0	523.578	3.038	50	0		KGAARN
O=S(=O)(c1cccc(C(F)(F)F)c1)N1CCN(C[C@H](O)COc2cccc(Br)c2)CC1	ZINC000002639636	552142279	/nfs/dbraw/zinc/14/22/79/552142279.db2.gz	IVNFLQGQWCAKOA-KRWDZBQOSA-N	0	0	523.371	3.214	50	0		KGAARN
O=S(=O)(c1cccc(C(F)(F)F)c1)N1CCN(C[C@@H](O)COc2cccc(Br)c2)CC1	ZINC000002639637	552142332	/nfs/dbraw/zinc/14/23/32/552142332.db2.gz	IVNFLQGQWCAKOA-QGZVFWFLSA-N	0	0	523.371	3.214	50	0		KGAARN
COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1	ZINC000002639656	552142253	/nfs/dbraw/zinc/14/22/53/552142253.db2.gz	YVOKSZHKYOWNRQ-UHFFFAOYSA-N	0	0	541.651	3.483	50	0		KGAARN
COc1ccc(-n2c(SCC(=O)c3c(N)n(CC(C)C)c(=O)n(C)c3=O)nc3ccccc3c2=O)cc1Cl	ZINC000002639694	552142275	/nfs/dbraw/zinc/14/22/75/552142275.db2.gz	QZVDAKGPAMTLLQ-UHFFFAOYSA-N	0	0	556.044	3.121	50	0		KGAARN
Cc1cc(C(=O)COC(=O)CNC(=O)c2ccc(Br)o2)c(C)n1Cc1ccc2c(c1)OCO2	ZINC000002640137	552142656	/nfs/dbraw/zinc/14/26/56/552142656.db2.gz	XARHOLGKVQZRCF-UHFFFAOYSA-N	0	0	517.332	3.393	50	0		KGAARN
O=C(/C=C/c1ccc(Br)o1)OCC(=O)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1	ZINC000002640152	552142651	/nfs/dbraw/zinc/14/26/51/552142651.db2.gz	WVLTXHYEKOWCSF-JXMROGBWSA-N	0	0	533.400	3.285	50	0		KGAARN
Cc1cc(C(=O)COC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)c(C)n1C[C@H]1COc2ccccc2O1	ZINC000002640162	552142776	/nfs/dbraw/zinc/14/27/76/552142776.db2.gz	MUUUPYJEJQEUGV-FQEVSTJZSA-N	0	0	512.584	3.235	50	0		KGAARN
Cc1cc(C(=O)COC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)c(C)n1C[C@@H]1COc2ccccc2O1	ZINC000002640163	552142865	/nfs/dbraw/zinc/14/28/65/552142865.db2.gz	MUUUPYJEJQEUGV-HXUWFJFHSA-N	0	0	512.584	3.235	50	0		KGAARN
CCN(CC(=O)Nc1cc(C(F)(F)F)ccc1OCCOC)S(=O)(=O)c1ccc2c(c1)OCCO2	ZINC000002641477	552143344	/nfs/dbraw/zinc/14/33/44/552143344.db2.gz	WVZVOXQIUVBHRQ-UHFFFAOYSA-N	0	0	518.510	3.151	50	0		KGAARN
CC(C)Cn1c(N)c(C(=O)CSc2nc3cc(Cl)ccc3c(=O)n2C2CCCC2)c(=O)n(C)c1=O	ZINC000002642265	552143330	/nfs/dbraw/zinc/14/33/30/552143330.db2.gz	OUULTNWZRZFSDM-UHFFFAOYSA-N	0	0	518.039	3.239	50	0		KGAARN
COc1ccc(-c2nnc(SCC(=O)c3c(N)n(CC(C)C)c(=O)n(C)c3=O)n2CCc2ccccc2)cc1	ZINC000002642304	552143294	/nfs/dbraw/zinc/14/32/94/552143294.db2.gz	SQHRDWNSWNWCMA-UHFFFAOYSA-N	0	0	548.669	3.270	50	0		KGAARN
CC(C)Cn1c(N)c(C(=O)CSc2nnc(-c3ccc(F)cc3)n2-c2ccccc2)c(=O)n(C)c1=O	ZINC000002642448	552143511	/nfs/dbraw/zinc/14/35/11/552143511.db2.gz	XBPOUCLBUHQOMD-UHFFFAOYSA-N	0	0	508.579	3.147	50	0		KGAARN
COc1ccc(-c2nnc(SCC(=O)c3c(N)n(CC(C)C)c(=O)n(C)c3=O)n2-c2ccccc2)cc1	ZINC000002642450	552143523	/nfs/dbraw/zinc/14/35/23/552143523.db2.gz	KQIWWHHIAMVVSD-UHFFFAOYSA-N	0	0	520.615	3.017	50	0		KGAARN
O=C(/C=C/c1cn(-c2ccccc2)nc1-c1cc2ccccc2o1)OCC(=O)N[C@@H]1CCS(=O)(=O)C1	ZINC000002643028	552143526	/nfs/dbraw/zinc/14/35/26/552143526.db2.gz	HLZHYUJFALBTGV-CTDFXDFQSA-N	0	0	505.552	3.145	50	0		KGAARN
Cc1c(NC(=O)[C@@H](C)OC(=O)c2ccc(S(=O)(=O)N3CCc4ccccc4C3)cc2)c(=O)n(-c2ccccc2)n1C	ZINC000002643283	552143894	/nfs/dbraw/zinc/14/38/94/552143894.db2.gz	PKUXEJQLRAYYHY-OAQYLSRUSA-N	0	0	574.659	3.415	50	0		KGAARN
Cc1c(NC(=O)[C@H](C)OC(=O)c2ccc(S(=O)(=O)N3CCc4ccccc4C3)cc2)c(=O)n(-c2ccccc2)n1C	ZINC000002643284	552143856	/nfs/dbraw/zinc/14/38/56/552143856.db2.gz	PKUXEJQLRAYYHY-NRFANRHFSA-N	0	0	574.659	3.415	50	0		KGAARN
Cc1nc2sc3c(c2c(N2CCN(S(=O)(=O)c4ccc5c(c4)OCCO5)CC2)n1)CC[C@H](C)C3	ZINC000002643415	552143828	/nfs/dbraw/zinc/14/38/28/552143828.db2.gz	UEENREJRWOFYOA-HNNXBMFYSA-N	0	0	500.646	3.407	50	0		KGAARN
Cc1nc2sc3c(c2c(N2CCN(S(=O)(=O)c4ccc5c(c4)OCCO5)CC2)n1)CC[C@@H](C)C3	ZINC000002643416	552143897	/nfs/dbraw/zinc/14/38/97/552143897.db2.gz	UEENREJRWOFYOA-OAHLLOKOSA-N	0	0	500.646	3.407	50	0		KGAARN
O=S(=O)(c1ccc2c(c1)OCCO2)N1CCN(c2nc(CN3CCCCC3)nc3sc4c(c32)CCC4)CC1	ZINC000002644261	552144342	/nfs/dbraw/zinc/14/43/42/552144342.db2.gz	TXEZNIVSAZOAKA-UHFFFAOYSA-N	0	0	555.726	3.448	50	0		KGAARN
O=C(/C=C/c1ccc(S(=O)(=O)N2CCc3ccccc32)cc1)OCC(=O)NC(=O)NCc1ccccc1	ZINC000002645003	552144565	/nfs/dbraw/zinc/14/45/65/552144565.db2.gz	NMYDILXMUJUCKV-NTCAYCPXSA-N	0	0	519.579	3.020	50	0		KGAARN
Nn1c(=O)c2c(-c3ccccc3)csc2nc1SCC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1	ZINC000002645671	552144868	/nfs/dbraw/zinc/14/48/68/552144868.db2.gz	MFKLCIIKPRSMFC-UHFFFAOYSA-N	0	0	541.680	3.354	50	0		KGAARN
O=C(COC(=O)c1c2c(nc3ccccc31)CCC2)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1	ZINC000002646234	552145105	/nfs/dbraw/zinc/14/51/05/552145105.db2.gz	WAKUBHPUYXWOEQ-UHFFFAOYSA-N	0	0	514.003	3.067	50	0		KGAARN
CCOC(=O)c1c(NC(=O)COn2nnc3ccc(S(=O)(=O)N(C)C)cc32)sc(C)c1-c1ccc(C)cc1	ZINC000002646279	552145084	/nfs/dbraw/zinc/14/50/84/552145084.db2.gz	NBTNFCNMGVAAQH-UHFFFAOYSA-N	0	0	557.654	3.271	50	0		KGAARN
O=C(COc1ccc(N2C[C@@H](C(=O)NCc3ccc4c(c3)OCO4)CC2=O)cc1)Nc1ccc(F)cc1	ZINC000002648310	552145551	/nfs/dbraw/zinc/14/55/51/552145551.db2.gz	VCTJCPCCVDKMDP-SFHVURJKSA-N	0	0	505.502	3.241	50	0		KGAARN
O=C(COc1ccc(N2C[C@H](C(=O)NCc3ccc4c(c3)OCO4)CC2=O)cc1)Nc1ccc(F)cc1	ZINC000002648311	552145507	/nfs/dbraw/zinc/14/55/07/552145507.db2.gz	VCTJCPCCVDKMDP-GOSISDBHSA-N	0	0	505.502	3.241	50	0		KGAARN
COc1ccccc1N(CC(=O)Nc1cccc(N(C)S(C)(=O)=O)c1)S(=O)(=O)c1ccc(C)cc1	ZINC000002648467	552145577	/nfs/dbraw/zinc/14/55/77/552145577.db2.gz	OXGVABYDAUJGIJ-UHFFFAOYSA-N	0	0	517.629	3.233	50	0		KGAARN
O=C(CCSc1ccccc1)NC(=O)COC(=O)c1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1	ZINC000002648752	552145535	/nfs/dbraw/zinc/14/55/35/552145535.db2.gz	RIAWKUCBAJTAHN-UHFFFAOYSA-N	0	0	538.647	3.416	50	0		KGAARN
COc1ccc2cc([C@]3(C)NC(=O)N(CC(=O)Nc4c(C)n(C)n(-c5ccccc5)c4=O)C3=O)ccc2c1	ZINC000002648990	552145891	/nfs/dbraw/zinc/14/58/91/552145891.db2.gz	IMYIQYRLQNJGFD-NDEPHWFRSA-N	0	0	513.554	3.052	50	0		KGAARN
COc1ccc2cc([C@@]3(C)NC(=O)N(CC(=O)Nc4c(C)n(C)n(-c5ccccc5)c4=O)C3=O)ccc2c1	ZINC000002648991	552145911	/nfs/dbraw/zinc/14/59/11/552145911.db2.gz	IMYIQYRLQNJGFD-MUUNZHRXSA-N	0	0	513.554	3.052	50	0		KGAARN
O=C(COC(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1)Nc1ccc2c(c1)OC(F)(F)O2	ZINC000002649378	552145881	/nfs/dbraw/zinc/14/58/81/552145881.db2.gz	OGOLDTNIULCMND-UHFFFAOYSA-N	0	0	548.476	3.376	50	0		KGAARN
COCCN(C(=O)CSc1nnc(-c2ccoc2C)n1-c1ccccc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	ZINC000002651157	552146634	/nfs/dbraw/zinc/14/66/34/552146634.db2.gz	YTWRMOXLFIJHTF-UHFFFAOYSA-N	0	0	587.662	3.088	50	0		KGAARN
COc1ccc(-n2c(SCC(=O)c3c(N)n(CC(C)C)c(=O)n(C)c3=O)nnc2-c2cccc(OC)c2)cc1	ZINC000002651263	552146588	/nfs/dbraw/zinc/14/65/88/552146588.db2.gz	KXLVGNFMVSNBEL-UHFFFAOYSA-N	0	0	550.641	3.025	50	0		KGAARN
Cc1cc(C(=O)COC(=O)CNC2=NS(=O)(=O)c3ccccc32)c(C)n1CCc1ccc(Cl)cc1	ZINC000002651445	552146637	/nfs/dbraw/zinc/14/66/37/552146637.db2.gz	JRYPYKYTQYXOJU-UHFFFAOYSA-N	0	0	514.003	3.466	50	0	aggregator	KGAARN
Cc1nn(Cc2ccccc2Cl)c(Cl)c1C(=O)OCC(=O)NC(=O)[C@H]1COc2ccccc2O1	ZINC000002651754	552146957	/nfs/dbraw/zinc/14/69/57/552146957.db2.gz	PPMFTCVYTDTQCR-GOSISDBHSA-N	0	0	504.326	3.186	50	0		KGAARN
Cc1nn(Cc2ccccc2Cl)c(Cl)c1C(=O)OCC(=O)NC(=O)[C@@H]1COc2ccccc2O1	ZINC000002651755	552146916	/nfs/dbraw/zinc/14/69/16/552146916.db2.gz	PPMFTCVYTDTQCR-SFHVURJKSA-N	0	0	504.326	3.186	50	0		KGAARN
Cc1ccc(S(=O)(=O)N(C)C)cc1-n1c(SCC(=O)NCc2ccccc2)nc2ccccc2c1=O	ZINC000002652148	552147182	/nfs/dbraw/zinc/14/71/82/552147182.db2.gz	HSBWHQAQVGIWGG-UHFFFAOYSA-N	0	0	522.652	3.353	50	0		KGAARN
COc1ccc(NC(=O)COC(=O)c2ccc(S(=O)(=O)N(C)c3ccccc3OC)cc2)c(OC)c1	ZINC000002652326	552147141	/nfs/dbraw/zinc/14/71/41/552147141.db2.gz	XXGZYULUGYCBOY-UHFFFAOYSA-N	0	0	514.556	3.333	50	0		KGAARN
O=C(COC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)Nc1ccc(Cl)c(Cl)c1	ZINC000002653227	552147708	/nfs/dbraw/zinc/14/77/08/552147708.db2.gz	WVBUCXNZCSSFSK-UHFFFAOYSA-N	0	0	501.388	3.129	50	0		KGAARN
O=C(COC(=O)c1ccc2c(c1)nc1n(c2=O)CCCCC1)c1ccc(S(=O)(=O)N2CCCCC2)cc1	ZINC000002653566	552147986	/nfs/dbraw/zinc/14/79/86/552147986.db2.gz	FFIBMKKZVFQKJQ-UHFFFAOYSA-N	0	0	523.611	3.337	50	0		KGAARN
COc1ccc(NC(=O)COC(=O)c2ccc(S(=O)(=O)N3CCc4ccccc4C3)cc2)c(OC)c1	ZINC000002654234	552147987	/nfs/dbraw/zinc/14/79/87/552147987.db2.gz	WGPBTXTTZVSULY-UHFFFAOYSA-N	0	0	510.568	3.246	50	0		KGAARN
COC(=O)c1ccc(CSc2nnc(NC(=O)[C@H]3CC(=O)N(c4ccc5c(c4)OCCO5)C3)s2)cc1	ZINC000002654472	552148382	/nfs/dbraw/zinc/14/83/82/552148382.db2.gz	WQAZMUSOTOXQNA-INIZCTEOSA-N	0	0	526.596	3.380	50	0		KGAARN
COC(=O)c1ccc(CSc2nnc(NC(=O)[C@@H]3CC(=O)N(c4ccc5c(c4)OCCO5)C3)s2)cc1	ZINC000002654473	552148335	/nfs/dbraw/zinc/14/83/35/552148335.db2.gz	WQAZMUSOTOXQNA-MRXNPFEDSA-N	0	0	526.596	3.380	50	0		KGAARN
COc1cccc(-n2c(SCC(=O)Nc3ccc(C(N)=O)cc3)nnc2-c2cccc(S(=O)(=O)N(C)C)c2)c1	ZINC000002655367	552148837	/nfs/dbraw/zinc/14/88/37/552148837.db2.gz	MZBLIFPCLOUSBL-UHFFFAOYSA-N	0	0	566.665	3.023	50	0		KGAARN
COc1ccc(-n2c(SCC(=O)c3c(N)n(CC(C)C)c(=O)n(C)c3=O)nnc2-c2ccccc2)cc1	ZINC000002656492	552149196	/nfs/dbraw/zinc/14/91/96/552149196.db2.gz	HQQKLYSKGNVSOD-UHFFFAOYSA-N	0	0	520.615	3.017	50	0		KGAARN
O=C(CCNS(=O)(=O)c1ccc2c(c1)OCCO2)Nc1nnc(SCc2ccc(F)cc2)s1	ZINC000002658640	552149658	/nfs/dbraw/zinc/14/96/58/552149658.db2.gz	OWBBAEWJXOGPFY-UHFFFAOYSA-N	0	0	510.594	3.048	50	0		KGAARN
Nc1c(C(=O)c2ccc3c(c2)NC(=O)CO3)sc2c1c(=O)[nH]c(=O)n2-c1ccc(Cl)cc1Cl	ZINC000002659303	552149938	/nfs/dbraw/zinc/14/99/38/552149938.db2.gz	KSMJFGPOANPBSQ-UHFFFAOYSA-N	0	0	503.323	3.191	50	0		KGAARN
CC(=O)Nc1ccc(C(=O)c2sc(-c3c(N)n(C)c(=O)n(C)c3=O)nc2-c2ccccc2Cl)cc1	ZINC000002659632	552149949	/nfs/dbraw/zinc/14/99/49/552149949.db2.gz	NBQSVNSMHPBLRU-UHFFFAOYSA-N	0	0	509.975	3.300	50	0		KGAARN
CCOC(=O)c1sc(NC(=O)CN2C(=O)N[C@@]3(C[C@@H](C)CC(C)(C)C3)C2=O)c(C(=O)OCC)c1C	ZINC000002660857	552150258	/nfs/dbraw/zinc/15/02/58/552150258.db2.gz	MTXZBHWSSVINIC-RKNYENMMSA-N	0	0	507.609	3.485	50	0		KGAARN
CCOC(=O)c1sc(NC(=O)CN2C(=O)N[C@]3(C[C@@H](C)CC(C)(C)C3)C2=O)c(C(=O)OCC)c1C	ZINC000002660858	552150538	/nfs/dbraw/zinc/15/05/38/552150538.db2.gz	MTXZBHWSSVINIC-RZFZLAGVSA-N	0	0	507.609	3.485	50	0		KGAARN
CCOC(=O)c1sc(NC(=O)CN2C(=O)N[C@@]3(C[C@H](C)CC(C)(C)C3)C2=O)c(C(=O)OCC)c1C	ZINC000002660859	552150571	/nfs/dbraw/zinc/15/05/71/552150571.db2.gz	MTXZBHWSSVINIC-YEBMWUKDSA-N	0	0	507.609	3.485	50	0		KGAARN
CCOC(=O)c1sc(NC(=O)CN2C(=O)N[C@]3(C[C@H](C)CC(C)(C)C3)C2=O)c(C(=O)OCC)c1C	ZINC000002660860	552150504	/nfs/dbraw/zinc/15/05/04/552150504.db2.gz	MTXZBHWSSVINIC-OZAJXLCCSA-N	0	0	507.609	3.485	50	0		KGAARN
O=C(CCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)Nc1cccc(Br)c1	ZINC000002662926	552150814	/nfs/dbraw/zinc/15/08/14/552150814.db2.gz	ZMPJPZTVJDMPJR-UHFFFAOYSA-N	0	0	514.829	3.354	50	0		KGAARN
O=C(COC(=O)C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1)NC(=O)[C@H]1COc2ccccc2O1	ZINC000002663963	552151033	/nfs/dbraw/zinc/15/10/33/552151033.db2.gz	RNZILSAEKXMKRK-NFBKMPQASA-N	0	0	522.941	3.227	50	0		KGAARN
O=C(COC(=O)C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1)NC(=O)[C@H]1COc2ccccc2O1	ZINC000002663964	552151072	/nfs/dbraw/zinc/15/10/72/552151072.db2.gz	RNZILSAEKXMKRK-NZQKXSOJSA-N	0	0	522.941	3.227	50	0		KGAARN
O=C(COC(=O)C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1)NC(=O)[C@@H]1COc2ccccc2O1	ZINC000002663965	552150996	/nfs/dbraw/zinc/15/09/96/552150996.db2.gz	RNZILSAEKXMKRK-OFNKIYASSA-N	0	0	522.941	3.227	50	0		KGAARN
O=C(COC(=O)C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1)NC(=O)[C@@H]1COc2ccccc2O1	ZINC000002663966	552151008	/nfs/dbraw/zinc/15/10/08/552151008.db2.gz	RNZILSAEKXMKRK-REWPJTCUSA-N	0	0	522.941	3.227	50	0		KGAARN
COC(=O)C1=C(C)N=c2s/c(=C3/c4ccccc4N(Cc4ccccc4)C3=O)c(=O)n2[C@@H]1c1ccc(OC)cc1	ZINC000002671433	552152661	/nfs/dbraw/zinc/15/26/61/552152661.db2.gz	BEKYTPHCRMJRPF-ORDRXGECSA-N	0	0	551.624	3.334	50	0		KGAARN
COC(=O)C1=C(C)N=c2s/c(=C3/c4ccccc4N(Cc4ccccc4)C3=O)c(=O)n2[C@H]1c1ccc(OC)cc1	ZINC000002671435	552152723	/nfs/dbraw/zinc/15/27/23/552152723.db2.gz	BEKYTPHCRMJRPF-PIJNJCDPSA-N	0	0	551.624	3.334	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OC(C)=O)c(OC)c1	ZINC000002671471	552152843	/nfs/dbraw/zinc/15/28/43/552152843.db2.gz	YXLDQDNPXKGCBX-JAYSWQADSA-N	0	0	566.632	3.140	50	0		KGAARN
COC(=O)C1=C(C)N=c2s/c(=C3/c4ccccc4N(Cc4ccccc4F)C3=O)c(=O)n2[C@@H]1c1ccc(OC)cc1	ZINC000002671554	552152896	/nfs/dbraw/zinc/15/28/96/552152896.db2.gz	VHUVMAVEPNKEHR-ORDRXGECSA-N	0	0	569.614	3.473	50	0		KGAARN
COC(=O)C1=C(C)N=c2s/c(=C3/c4ccccc4N(Cc4ccccc4F)C3=O)c(=O)n2[C@H]1c1ccc(OC)cc1	ZINC000002671556	552152875	/nfs/dbraw/zinc/15/28/75/552152875.db2.gz	VHUVMAVEPNKEHR-PIJNJCDPSA-N	0	0	569.614	3.473	50	0		KGAARN
COc1cc([C@@H]2C(C(=O)OCC(C)C)=C(C)N=c3s/c(=C\c4ccccc4)c(=O)n32)ccc1OC(C)=O	ZINC000002671655	552153128	/nfs/dbraw/zinc/15/31/28/552153128.db2.gz	PHCCBSNVMMECBS-VVNKCDPRSA-N	0	0	520.607	3.368	50	0		KGAARN
COc1cc([C@H]2C(C(=O)OCC(C)C)=C(C)N=c3s/c(=C\c4ccccc4)c(=O)n32)ccc1OC(C)=O	ZINC000002671657	552153119	/nfs/dbraw/zinc/15/31/19/552153119.db2.gz	PHCCBSNVMMECBS-PLQXQRLBSA-N	0	0	520.607	3.368	50	0		KGAARN
COc1cc([C@@H]2C(C(=O)OCC(C)C)=C(C)N=c3s/c(=C\c4cccs4)c(=O)n32)ccc1OC(C)=O	ZINC000002671816	552153135	/nfs/dbraw/zinc/15/31/35/552153135.db2.gz	HMODNIWUUDMENF-VVOOWDFBSA-N	0	0	526.636	3.430	50	0		KGAARN
COc1cc([C@H]2C(C(=O)OCC(C)C)=C(C)N=c3s/c(=C\c4cccs4)c(=O)n32)ccc1OC(C)=O	ZINC000002671818	552153127	/nfs/dbraw/zinc/15/31/27/552153127.db2.gz	HMODNIWUUDMENF-JUTHHCEFSA-N	0	0	526.636	3.430	50	0		KGAARN
COc1cc([C@@H]2C(C(=O)OCC(C)C)=C(C)N=c3s/c(=C/c4ccc(C)o4)c(=O)n32)ccc1OC(C)=O	ZINC000002671836	552153332	/nfs/dbraw/zinc/15/33/32/552153332.db2.gz	PHLGGYVVOJXZKD-SEXPAEGTSA-N	0	0	524.595	3.270	50	0		KGAARN
COc1cc([C@H]2C(C(=O)OCC(C)C)=C(C)N=c3s/c(=C/c4ccc(C)o4)c(=O)n32)ccc1OC(C)=O	ZINC000002671838	552153329	/nfs/dbraw/zinc/15/33/29/552153329.db2.gz	PHLGGYVVOJXZKD-XOBACGFXSA-N	0	0	524.595	3.270	50	0		KGAARN
COc1cc([C@@H]2C(C(=O)OCC(C)C)=C(C)N=c3s/c(=C\c4ccc(OC(C)=O)cc4)c(=O)n32)ccc1OC(C)=O	ZINC000002671844	552153335	/nfs/dbraw/zinc/15/33/35/552153335.db2.gz	OMORNMUWUFJQPM-GRXWAMFVSA-N	0	0	578.643	3.294	50	0		KGAARN
COc1cc([C@H]2C(C(=O)OCC(C)C)=C(C)N=c3s/c(=C\c4ccc(OC(C)=O)cc4)c(=O)n32)ccc1OC(C)=O	ZINC000002671846	552153403	/nfs/dbraw/zinc/15/34/03/552153403.db2.gz	OMORNMUWUFJQPM-QHZSLAKNSA-N	0	0	578.643	3.294	50	0		KGAARN
COc1cc([C@@H]2C(C(=O)OCC(C)C)=C(C)N=c3s/c(=C\c4cccc(OC(C)=O)c4)c(=O)n32)ccc1OC(C)=O	ZINC000002671889	552153399	/nfs/dbraw/zinc/15/33/99/552153399.db2.gz	LMJAFZZFRYVQSH-GRXWAMFVSA-N	0	0	578.643	3.294	50	0		KGAARN
COc1cc([C@H]2C(C(=O)OCC(C)C)=C(C)N=c3s/c(=C\c4cccc(OC(C)=O)c4)c(=O)n32)ccc1OC(C)=O	ZINC000002671891	552153323	/nfs/dbraw/zinc/15/33/23/552153323.db2.gz	LMJAFZZFRYVQSH-QHZSLAKNSA-N	0	0	578.643	3.294	50	0		KGAARN
COC(=O)C1=C(C)N=c2s/c(=C3/c4ccccc4N(Cc4ccc(F)cc4)C3=O)c(=O)n2[C@@H]1c1ccc(OC)cc1	ZINC000002672037	552153410	/nfs/dbraw/zinc/15/34/10/552153410.db2.gz	ICDDDGGKFHSKEV-ORDRXGECSA-N	0	0	569.614	3.473	50	0		KGAARN
COC(=O)C1=C(C)N=c2s/c(=C3/c4ccccc4N(Cc4ccc(F)cc4)C3=O)c(=O)n2[C@H]1c1ccc(OC)cc1	ZINC000002672039	552153604	/nfs/dbraw/zinc/15/36/04/552153604.db2.gz	ICDDDGGKFHSKEV-PIJNJCDPSA-N	0	0	569.614	3.473	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\C3=Cc4ccccc4O[C@@H]3C)c(=O)n2[C@@H]1c1ccc(C(=O)OC)cc1	ZINC000002680450	552155202	/nfs/dbraw/zinc/15/52/02/552155202.db2.gz	UTZIPGJRTDJVNU-KFKHIXTESA-N	0	0	530.602	3.401	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C3/c4ccccc4N(CC)C3=O)c(=O)n2[C@@H]1c1ccc(SC)cc1	ZINC000002680509	552155251	/nfs/dbraw/zinc/15/52/51/552155251.db2.gz	XHHDIVPMSCJDPV-RKKARLDVSA-N	0	0	519.648	3.257	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C3/c4ccccc4N(CC)C3=O)c(=O)n2[C@H]1c1ccc(SC)cc1	ZINC000002680510	552155165	/nfs/dbraw/zinc/15/51/65/552155165.db2.gz	XHHDIVPMSCJDPV-VFJWVMJUSA-N	0	0	519.648	3.257	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(Br)c3)c(=O)n2[C@@H]1c1ccc(C(=O)OC)cc1	ZINC000002681396	552155154	/nfs/dbraw/zinc/15/51/54/552155154.db2.gz	YNMTXMWABYWKDJ-CNSVBDKNSA-N	0	0	541.423	3.347	50	0		KGAARN
Cc1ccc(NC(=O)Cn2c3ccsc3c(=O)n(CCCC(=O)NCc3ccc4c(c3)OCO4)c2=O)c(C)c1	ZINC000002686060	552156739	/nfs/dbraw/zinc/15/67/39/552156739.db2.gz	OPBXIYGJEFHXBC-UHFFFAOYSA-N	0	0	548.621	3.306	50	0		KGAARN
O=C(Cn1c(=O)c2ccccc2n(CC(=O)Nc2ccccc2C(F)(F)F)c1=O)NCCc1ccccc1	ZINC000002686577	552156731	/nfs/dbraw/zinc/15/67/31/552156731.db2.gz	OETKWTZEKWMHBH-UHFFFAOYSA-N	0	0	524.499	3.180	50	0		KGAARN
CCOC(=O)N1CCc2c(sc3c2c(=O)n(-c2ccccc2)c(=O)n3CC(=O)Nc2ccc(OC)c(OC)c2)C1	ZINC000002687431	552156877	/nfs/dbraw/zinc/15/68/77/552156877.db2.gz	MXRHRZNSGJVQLS-UHFFFAOYSA-N	0	0	564.620	3.384	50	0		KGAARN
CCOC(=O)N1CCc2c(sc3c2c(=O)n(-c2ccccc2)c(=O)n3CC(=O)Nc2cccc(OC)c2)C1	ZINC000002687432	552156867	/nfs/dbraw/zinc/15/68/67/552156867.db2.gz	ZDUQQQNBUIZDLS-UHFFFAOYSA-N	0	0	534.594	3.376	50	0		KGAARN
COc1ccc(NC(=O)Cn2c3sc(C(=O)N(C)C)c(C)c3c(=O)n(-c3ccc(F)cc3)c2=O)cc1	ZINC000002687523	552157150	/nfs/dbraw/zinc/15/71/50/552157150.db2.gz	GQRPKYBDIQDHOQ-UHFFFAOYSA-N	0	0	510.547	3.011	50	0		KGAARN
COc1ccc(NC(=O)Cn2c3sc(C(=O)N(C)C)c(C)c3c(=O)n(-c3ccc(F)cc3)c2=O)c(OC)c1	ZINC000002687524	552157096	/nfs/dbraw/zinc/15/70/96/552157096.db2.gz	LNMTXYUZWVKKJJ-UHFFFAOYSA-N	0	0	540.573	3.019	50	0		KGAARN
COc1ccccc1NC(=O)Cn1c2sc(C(=O)N(C)C)c(C)c2c(=O)n(-c2ccc(F)cc2)c1=O	ZINC000002687534	552157116	/nfs/dbraw/zinc/15/71/16/552157116.db2.gz	NZWWRVJREMZPBL-UHFFFAOYSA-N	0	0	510.547	3.011	50	0		KGAARN
O=C(CCn1c(=O)c2sccc2n(CC(=O)Nc2ccc(F)cc2)c1=O)NCCc1ccc(Cl)cc1	ZINC000002687665	552157114	/nfs/dbraw/zinc/15/71/14/552157114.db2.gz	CVQNQEBFBIOXBE-UHFFFAOYSA-N	0	0	528.993	3.405	50	0		KGAARN
COc1ccc(C(=O)c2cn(CC(=O)Nc3ccc4c(c3)OCCO4)c3cc4c(cc3c2=O)OCO4)cc1	ZINC000002688309	552157366	/nfs/dbraw/zinc/15/73/66/552157366.db2.gz	WEDMHRZWIAUEMG-UHFFFAOYSA-N	0	0	514.490	3.380	50	0		KGAARN
COc1ccc(C(=O)c2cn(CC(=O)Nc3ccc4c(c3)OCCO4)c3cc4c(cc3c2=O)OCCO4)cc1	ZINC000002691657	552158805	/nfs/dbraw/zinc/15/88/05/552158805.db2.gz	HEGOPRJSNGZQRH-UHFFFAOYSA-N	0	0	528.517	3.422	50	0		KGAARN
COc1ccc(C(=O)c2cn(CC(=O)Nc3ccc4c(c3)OCO4)c3cc4c(cc3c2=O)OCCO4)cc1	ZINC000002691658	552158787	/nfs/dbraw/zinc/15/87/87/552158787.db2.gz	SOMRDJCNRIHAPQ-UHFFFAOYSA-N	0	0	514.490	3.380	50	0		KGAARN
CCOc1ccccc1NC(=O)Cn1c2sc3c(c2c(=O)n(-c2ccccc2)c1=O)CCN(C(C)=O)C3	ZINC000002692346	552158775	/nfs/dbraw/zinc/15/87/75/552158775.db2.gz	WXCWTJUOLGBRLI-UHFFFAOYSA-N	0	0	518.595	3.156	50	0		KGAARN
CCOc1ccc(N(CC(=O)Nc2cc(Cl)ccc2OC)C2=N[C@@H]3CS(=O)(=O)C[C@H]3S2)cc1	ZINC000002694330	552159083	/nfs/dbraw/zinc/15/90/83/552159083.db2.gz	JOZIDBBUTPYTAG-UYAOXDASSA-N	0	0	510.037	3.461	50	0		KGAARN
CCOc1ccc(N(CC(=O)Nc2cc(Cl)ccc2OC)C2=N[C@@H]3CS(=O)(=O)C[C@@H]3S2)cc1	ZINC000002694333	552159064	/nfs/dbraw/zinc/15/90/64/552159064.db2.gz	JOZIDBBUTPYTAG-QUCCMNQESA-N	0	0	510.037	3.461	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OC)cc1	ZINC000002704051	552159740	/nfs/dbraw/zinc/15/97/40/552159740.db2.gz	HOJHCFATFLZVEO-WLGHQHAYSA-N	0	0	508.596	3.214	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC)c(OC)c3)c(=O)n2[C@H]1c1ccc(OC)cc1	ZINC000002704056	552159717	/nfs/dbraw/zinc/15/97/17/552159717.db2.gz	HOJHCFATFLZVEO-NLZIUFDSSA-N	0	0	508.596	3.214	50	0		KGAARN
COc1ccccc1N(C[C@H](O)CN(c1ccc(C)cc1)S(C)(=O)=O)S(=O)(=O)c1ccccc1	ZINC000002709134	552160453	/nfs/dbraw/zinc/16/04/53/552160453.db2.gz	BGLUTERAECAOLP-OAQYLSRUSA-N	0	0	504.630	3.026	50	0		KGAARN
COc1ccc(C(=O)Nc2c(N)nc(SCC(=O)Nc3ccc(Br)cc3)[nH]c2=O)cc1OC	ZINC000002712611	552160966	/nfs/dbraw/zinc/16/09/66/552160966.db2.gz	INTGCCJCWNIOFM-UHFFFAOYSA-N	0	0	534.392	3.115	50	0		KGAARN
COc1ccc(C(=O)Nc2c(N)nc(SCC(=O)Nc3ccc(C)c(Cl)c3)[nH]c2=O)cc1OC	ZINC000002712614	552160927	/nfs/dbraw/zinc/16/09/27/552160927.db2.gz	SIXKRXHTNHBUDW-UHFFFAOYSA-N	0	0	503.968	3.314	50	0		KGAARN
COc1ccc(C(=O)Nc2c(N)nc(SCC(=O)Nc3ccccc3C(F)(F)F)[nH]c2=O)cc1OC	ZINC000002712622	552160906	/nfs/dbraw/zinc/16/09/06/552160906.db2.gz	UKTYJMZMHXZFPN-UHFFFAOYSA-N	0	0	523.493	3.371	50	0		KGAARN
COc1ccc(C(=O)Nc2c(N)nc(SCC(=O)Nc3cccc(C(F)(F)F)c3)[nH]c2=O)cc1OC	ZINC000002712623	552160949	/nfs/dbraw/zinc/16/09/49/552160949.db2.gz	GASBKLSMEYKWHN-UHFFFAOYSA-N	0	0	523.493	3.371	50	0		KGAARN
CCCCN1c2ccccc2/C(=c2/sc3n(c2=O)[C@H](c2cccs2)C(C(=O)OCC)=C(C)N=3)C1=O	ZINC000002713030	552160934	/nfs/dbraw/zinc/16/09/34/552160934.db2.gz	HNFWXHUZORUFNP-SADKCHQCSA-N	0	0	507.637	3.377	50	0		KGAARN
CCCCN1c2ccccc2/C(=c2/sc3n(c2=O)[C@@H](c2cccs2)C(C(=O)OCC)=C(C)N=3)C1=O	ZINC000002713034	552160983	/nfs/dbraw/zinc/16/09/83/552160983.db2.gz	HNFWXHUZORUFNP-AGGMBTAESA-N	0	0	507.637	3.377	50	0		KGAARN
CCOC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)Nc3nc4c(cccc4OCC)s3)cc2)CC1	ZINC000002716637	552161772	/nfs/dbraw/zinc/16/17/72/552161772.db2.gz	ICRUUFJIIBLURW-UHFFFAOYSA-N	0	0	518.617	3.410	50	0		KGAARN
CCCCN(C)S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3cc(OC)c(OC)c(OC)c3)o2)cc1	ZINC000002723540	552165687	/nfs/dbraw/zinc/16/56/87/552165687.db2.gz	RBVQVUVOBFOMRN-UHFFFAOYSA-N	0	0	504.565	3.435	50	0		KGAARN
COc1cc(-c2nnc(NC(=O)c3ccc(S(=O)(=O)N4CCCCC4)cc3)o2)cc(OC)c1OC	ZINC000002723545	552165607	/nfs/dbraw/zinc/16/56/07/552165607.db2.gz	GTPZSIRCJSAHRW-UHFFFAOYSA-N	0	0	502.549	3.189	50	0		KGAARN
CCOc1cc(-c2nnc(NC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)o2)cc(OCC)c1OCC	ZINC000002723553	552165840	/nfs/dbraw/zinc/16/58/40/552165840.db2.gz	AUFQMLAHNYCHIJ-UHFFFAOYSA-N	0	0	504.565	3.435	50	0		KGAARN
Cc1ccc2c(c1)[C@@H](c1ccc(F)cc1)N(C(=O)c1ccc(S(=O)(=O)N3CCOCC3)cc1)CC(=O)N2	ZINC000002724273	552165810	/nfs/dbraw/zinc/16/58/10/552165810.db2.gz	OPJILPFPRCYJSM-AREMUKBSSA-N	0	0	523.586	3.339	50	0		KGAARN
Cc1ccc2c(c1)[C@H](c1ccc(F)cc1)N(C(=O)c1ccc(S(=O)(=O)N3CCOCC3)cc1)CC(=O)N2	ZINC000002724274	552165846	/nfs/dbraw/zinc/16/58/46/552165846.db2.gz	OPJILPFPRCYJSM-SANMLTNESA-N	0	0	523.586	3.339	50	0		KGAARN
O=C(c1ccc(S(=O)(=O)N2CCOCC2)cc1)N1CC(=O)Nc2ccc(F)cc2[C@@H]1c1ccccc1	ZINC000002724811	552166631	/nfs/dbraw/zinc/16/66/31/552166631.db2.gz	SSXNYAPSYWHRQO-VWLOTQADSA-N	0	0	509.559	3.031	50	0		KGAARN
O=C(c1ccc(S(=O)(=O)N2CCOCC2)cc1)N1CC(=O)Nc2ccc(F)cc2[C@H]1c1ccccc1	ZINC000002724812	552166655	/nfs/dbraw/zinc/16/66/55/552166655.db2.gz	SSXNYAPSYWHRQO-RUZDIDTESA-N	0	0	509.559	3.031	50	0		KGAARN
CNC(=O)c1c2c(sc1NC(=O)c1ccc(S(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)cc1)CN(C)CC2	ZINC000002725176	552166663	/nfs/dbraw/zinc/16/66/63/552166663.db2.gz	FYJDTLQRZWHORC-HOTGVXAUSA-N	0	0	504.678	3.015	50	0		KGAARN
CC[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C(=O)NC)CCN(C)C3)cc1	ZINC000002725177	552166660	/nfs/dbraw/zinc/16/66/60/552166660.db2.gz	TYLRBSPBMYNQJU-KRWDZBQOSA-N	0	0	504.678	3.301	50	0		KGAARN
CNC(=O)c1c2c(sc1NC(=O)c1ccc(S(=O)(=O)N3CCCc4ccccc43)cc1)CN(C)CC2	ZINC000002725178	552166648	/nfs/dbraw/zinc/16/66/48/552166648.db2.gz	ALVNWISPRKIFDT-UHFFFAOYSA-N	0	0	524.668	3.489	50	0		KGAARN
CNC(=O)c1c2c(sc1NC(=O)c1ccc(S(=O)(=O)N3CCc4ccccc4C3)cc1)CN(C)CC2	ZINC000002725180	552166670	/nfs/dbraw/zinc/16/66/70/552166670.db2.gz	VIRBOUPSPGTAJU-UHFFFAOYSA-N	0	0	524.668	3.095	50	0		KGAARN
CNC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N(C)Cc3ccccc3)cc2)sc2c1CCN(C)C2	ZINC000002725184	552166645	/nfs/dbraw/zinc/16/66/45/552166645.db2.gz	UPOGUMMSXBRUES-UHFFFAOYSA-N	0	0	512.657	3.169	50	0		KGAARN
CNC(=O)c1c2c(sc1NC(=O)c1ccc(S(=O)(=O)N(C)c3ccccc3)cc1)CN(C(C)=O)CC2	ZINC000002725222	552166817	/nfs/dbraw/zinc/16/68/17/552166817.db2.gz	DWZZJRHWEQQGKI-UHFFFAOYSA-N	0	0	526.640	3.090	50	0		KGAARN
CCCCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C(=O)NC)CCN(C(C)=O)C3)cc1	ZINC000002725224	552166797	/nfs/dbraw/zinc/16/67/97/552166797.db2.gz	MXXXNNLDHOCWEE-UHFFFAOYSA-N	0	0	520.677	3.075	50	0		KGAARN
O=C(CSc1nnnn1-c1ccccc1)Nc1ccccc1NC(=O)CSc1nnnn1-c1ccccc1	ZINC000002731101	552168311	/nfs/dbraw/zinc/16/83/11/552168311.db2.gz	JXIGSYNHKKMKTP-UHFFFAOYSA-N	0	0	544.626	3.100	50	0		KGAARN
CC[C@H](Sc1nnc2c3cc(Br)ccc3n(C)c2n1)C(=O)Nc1ccc(S(N)(=O)=O)cc1	ZINC000002750996	552175752	/nfs/dbraw/zinc/17/57/52/552175752.db2.gz	LIAZRMPZZCSZOD-INIZCTEOSA-N	0	0	535.449	3.436	50	0		KGAARN
CC[C@@H](Sc1nnc2c3cc(Br)ccc3n(C)c2n1)C(=O)Nc1ccc(S(N)(=O)=O)cc1	ZINC000002750997	552175766	/nfs/dbraw/zinc/17/57/66/552175766.db2.gz	LIAZRMPZZCSZOD-MRXNPFEDSA-N	0	0	535.449	3.436	50	0		KGAARN
NS(=O)(=O)c1ccc(NC(=O)CSc2nnc3c4ccccc4n(Cc4ccccc4)c3n2)cc1	ZINC000002751100	552175690	/nfs/dbraw/zinc/17/56/90/552175690.db2.gz	AOGOYVRMBSXAMG-UHFFFAOYSA-N	0	0	504.597	3.406	50	0		KGAARN
Cn1cc(Br)c(C(=O)N2CCN(C(=O)c3cnn4c3nc(-c3ccccc3)cc4C(F)F)CC2)n1	ZINC000002769321	552184081	/nfs/dbraw/zinc/18/40/81/552184081.db2.gz	MFBFRECKNBIGEA-UHFFFAOYSA-N	0	0	544.360	3.428	50	0		KGAARN
C[C@]1(C(=O)NCCNC(=O)[C@@]2(C)CC2(Br)Br)CC1(Br)Br	ZINC000002772388	552185423	/nfs/dbraw/zinc/18/54/23/552185423.db2.gz	BLJJXLVFSVSRIJ-NXEZZACHSA-N	0	0	539.888	3.011	50	0		KGAARN
C[C@@]1(C(=O)NCCNC(=O)[C@]2(C)CC2(Br)Br)CC1(Br)Br	ZINC000002772389	552185430	/nfs/dbraw/zinc/18/54/30/552185430.db2.gz	BLJJXLVFSVSRIJ-UWVGGRQHSA-N	0	0	539.888	3.011	50	0		KGAARN
C[C@]1(C(=O)NCCCNC(=O)[C@@]2(C)CC2(Br)Br)CC1(Br)Br	ZINC000002772518	552185470	/nfs/dbraw/zinc/18/54/70/552185470.db2.gz	DSVHFIFTFAAMDQ-GHMZBOCLSA-N	0	0	553.915	3.401	50	0		KGAARN
C[C@@]1(C(=O)NCCCNC(=O)[C@]2(C)CC2(Br)Br)CC1(Br)Br	ZINC000002772519	552185509	/nfs/dbraw/zinc/18/55/09/552185509.db2.gz	DSVHFIFTFAAMDQ-QWRGUYRKSA-N	0	0	553.915	3.401	50	0		KGAARN
COC(=O)C1=C(C)N=c2s/c(=C\c3c(C)nn(-c4ccccc4)c3C)c(=O)n2[C@@H]1c1ccc(OC)cc1	ZINC000002784072	552189143	/nfs/dbraw/zinc/18/91/43/552189143.db2.gz	GFFXENPVCVBNBC-LWUPDDLQSA-N	0	0	514.607	3.219	50	0		KGAARN
COC(=O)C1=C(C)N=c2s/c(=C/c3c(C)nn(-c4ccccc4)c3C)c(=O)n2[C@H]1c1ccc(OC)cc1	ZINC000002784073	552189513	/nfs/dbraw/zinc/18/95/13/552189513.db2.gz	GFFXENPVCVBNBC-XXMKCSCWSA-N	0	0	514.607	3.219	50	0		KGAARN
COC(=O)C1=C(C)N=c2s/c(=C\c3c(C)nn(-c4ccccc4)c3C)c(=O)n2[C@H]1c1ccc(OC)cc1	ZINC000002784074	552189445	/nfs/dbraw/zinc/18/94/45/552189445.db2.gz	GFFXENPVCVBNBC-GJFKPFFXSA-N	0	0	514.607	3.219	50	0		KGAARN
Cc1nn(C)cc1Cn1c(=O)[nH]c(=O)c2c1NC(c1ccc(Cl)cc1)=NC2(C(F)(F)F)C(F)(F)F	ZINC000002784087	552189479	/nfs/dbraw/zinc/18/94/79/552189479.db2.gz	AFEGXHJFGLSNJA-UHFFFAOYSA-N	0	0	520.821	3.472	50	0		KGAARN
COCCCN1C(=O)/C(=C\c2cnn(C)c2)N=C1SCC(=O)Nc1sc2c(c1C(=O)OC)CCCC2	ZINC000002786115	552190370	/nfs/dbraw/zinc/19/03/70/552190370.db2.gz	MMSGKJIWWMFTNI-GZTJUZNOSA-N	0	0	531.660	3.095	50	0		KGAARN
COCCCN1C(=O)/C(=C\c2cn(C)nc2C)N=C1SCC(=O)Nc1sc2c(c1C(=O)OC)CCCC2	ZINC000002786128	552190398	/nfs/dbraw/zinc/19/03/98/552190398.db2.gz	UIIJXADRLFHGNW-LDADJPATSA-N	0	0	545.687	3.403	50	0		KGAARN
Cn1nc(C(F)(F)F)c(Cl)c1C(=O)NCc1ccn(C(=O)c2c(Cl)c(C(F)(F)F)nn2C)n1	ZINC000002788273	552190912	/nfs/dbraw/zinc/19/09/12/552190912.db2.gz	JAVFPZPAVSXSQG-UHFFFAOYSA-N	0	0	518.205	3.313	50	0		KGAARN
Cc1c(Br)c(C(F)(F)F)nn1[C@@H](C)C(=O)Nc1cnn(C)c1C(=O)NCc1ccco1	ZINC000002793583	552192184	/nfs/dbraw/zinc/19/21/84/552192184.db2.gz	NIHIJBIVBHDEIG-JTQLQIEISA-N	0	0	503.279	3.429	50	0		KGAARN
Cc1c(Br)c(C(F)(F)F)nn1[C@H](C)C(=O)Nc1cnn(C)c1C(=O)NCc1ccco1	ZINC000002793584	552192192	/nfs/dbraw/zinc/19/21/92/552192192.db2.gz	NIHIJBIVBHDEIG-SNVBAGLBSA-N	0	0	503.279	3.429	50	0		KGAARN
COC(=O)C1=CN(Cc2ccc(OC)c(OC)c2)C=C(C(=O)OC)C1c1ccc(OC)c(OC)c1OC	ZINC000002797093	552192639	/nfs/dbraw/zinc/19/26/39/552192639.db2.gz	LBZAIVLDHMPORJ-UHFFFAOYSA-N	0	0	513.543	3.443	50	0		KGAARN
Cc1c(Br)c(C(F)(F)F)nn1[C@@H](C)C(=O)Nc1cn(C)nc1C(=O)NCc1ccco1	ZINC000002799577	552193868	/nfs/dbraw/zinc/19/38/68/552193868.db2.gz	VPCMHVBGEXBRBS-JTQLQIEISA-N	0	0	503.279	3.429	50	0		KGAARN
Cc1c(Br)c(C(F)(F)F)nn1[C@H](C)C(=O)Nc1cn(C)nc1C(=O)NCc1ccco1	ZINC000002799578	552193860	/nfs/dbraw/zinc/19/38/60/552193860.db2.gz	VPCMHVBGEXBRBS-SNVBAGLBSA-N	0	0	503.279	3.429	50	0		KGAARN
Cc1c(Br)c(C(F)(F)F)nn1[C@H](C)C(=O)Nc1cnn(C)c1C(=O)Nc1cnn(C)c1C	ZINC000002799743	552194190	/nfs/dbraw/zinc/19/41/90/552194190.db2.gz	SDCGPJNSVNQKPH-SNVBAGLBSA-N	0	0	517.310	3.200	50	0		KGAARN
Cc1c(Br)c(C(F)(F)F)nn1[C@@H](C)C(=O)Nc1cnn(C)c1C(=O)Nc1cnn(C)c1C	ZINC000002799744	552194200	/nfs/dbraw/zinc/19/42/00/552194200.db2.gz	SDCGPJNSVNQKPH-JTQLQIEISA-N	0	0	517.310	3.200	50	0		KGAARN
Cc1c(NC(=O)c2c(NC(=O)Cn3nc(C(F)(F)F)c(Br)c3C3CC3)cnn2C)cnn1C	ZINC000002802937	552195058	/nfs/dbraw/zinc/19/50/58/552195058.db2.gz	VJWSHDMSAAWWNB-UHFFFAOYSA-N	0	0	529.321	3.208	50	0		KGAARN
Cn1cc(NC(=O)Cn2nc(C(F)(F)F)c(Br)c2C2CC2)c(C(=O)NCc2ccco2)n1	ZINC000002804549	552195368	/nfs/dbraw/zinc/19/53/68/552195368.db2.gz	FKLQMDVTGWRBHM-UHFFFAOYSA-N	0	0	515.290	3.437	50	0		KGAARN
COC(=O)C1=CN(Cc2ccc(OC)c(OC)c2)C=C(C(=O)OC)C1c1cc(OC)c(OC)c(OC)c1	ZINC000002805623	552195711	/nfs/dbraw/zinc/19/57/11/552195711.db2.gz	IMDXDBMHBRMGAB-UHFFFAOYSA-N	0	0	513.543	3.443	50	0		KGAARN
CCOC(=O)c1nn(-c2ccccc2)c(C(=O)OCC)c1NC(=O)c1nn(CC)cc1Br	ZINC000002836432	552197637	/nfs/dbraw/zinc/19/76/37/552197637.db2.gz	CVFFHGWZWYBKOV-UHFFFAOYSA-N	0	0	504.341	3.457	50	0		KGAARN
COc1ccc(OC)c(N(CC(=O)Nc2cccc(N(C)S(C)(=O)=O)c2)S(=O)(=O)c2ccc(C)cc2)c1	ZINC000002838276	552198156	/nfs/dbraw/zinc/19/81/56/552198156.db2.gz	VEUKHVHNUPDBJC-UHFFFAOYSA-N	0	0	547.655	3.242	50	0		KGAARN
CN(c1cccc(NC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(C)(=O)=O)c1)S(C)(=O)=O	ZINC000002838282	552198251	/nfs/dbraw/zinc/19/82/51/552198251.db2.gz	AVAKZROBFLNGDQ-UHFFFAOYSA-N	0	0	513.947	3.159	50	0		KGAARN
COc1ccc(C(=O)NCc2nnc(SCC(=O)c3ccc(Br)cc3)n2C)cc1OC	ZINC000002840924	552198726	/nfs/dbraw/zinc/19/87/26/552198726.db2.gz	QUJRNRIUPCLMOU-UHFFFAOYSA-N	0	0	505.394	3.500	50	0		KGAARN
COc1ccc(C(=O)NCc2nnc(SCC(=O)Nc3ccc(Br)cc3F)n2C)cc1	ZINC000002841713	552199122	/nfs/dbraw/zinc/19/91/22/552199122.db2.gz	KQDYHBBFPLSCKW-UHFFFAOYSA-N	0	0	508.373	3.386	50	0		KGAARN
COc1ccc(OC)c(N(CC(=O)Nc2ccc3c(c2)OCO3)S(=O)(=O)c2ccc(OC)c(OC)c2)c1	ZINC000002842837	552199619	/nfs/dbraw/zinc/19/96/19/552199619.db2.gz	DHZJKMPWIRPVOL-UHFFFAOYSA-N	0	0	530.555	3.284	50	0		KGAARN
COc1ccc(OC)c(N(CC(=O)Nc2ccc3c(c2)OCCO3)S(=O)(=O)c2ccc(OC)c(OC)c2)c1	ZINC000002843540	552200106	/nfs/dbraw/zinc/20/01/06/552200106.db2.gz	KNZSEJFCMMTONW-UHFFFAOYSA-N	0	0	544.582	3.326	50	0		KGAARN
CC[C@H](Sc1nc2ccccc2c(=O)n1NC(=O)c1ccc(OC)cc1)C(=O)NCc1cccnc1	ZINC000002847236	552200663	/nfs/dbraw/zinc/20/06/63/552200663.db2.gz	RPPFGXMEQDQUPL-QFIPXVFZSA-N	0	0	503.584	3.371	50	0		KGAARN
O=C(Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1	ZINC000002852531	552201392	/nfs/dbraw/zinc/20/13/92/552201392.db2.gz	IRDKLMMTAAMLTI-UHFFFAOYSA-N	0	0	542.079	3.178	50	0		KGAARN
COC(=O)c1c2c(sc1NC(=S)N1CCN(S(=O)(=O)c3ccc(Cl)cc3)CC1)CCC2	ZINC000002852543	552201365	/nfs/dbraw/zinc/20/13/65/552201365.db2.gz	BGNQAYDWPXHMHF-UHFFFAOYSA-N	0	0	500.067	3.380	50	0		KGAARN
CCN(CC)S(=O)(=O)c1ccc(NC(=O)CN(c2cc(Cl)cc(Cl)c2)S(C)(=O)=O)cc1	ZINC000002853655	552201693	/nfs/dbraw/zinc/20/16/93/552201693.db2.gz	YFLYTTXGPKDHNS-UHFFFAOYSA-N	0	0	508.449	3.429	50	0		KGAARN
O=C(Nc1ccccc1C(=O)NCc1ccco1)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1	ZINC000002854542	552201854	/nfs/dbraw/zinc/20/18/54/552201854.db2.gz	XIKWBARQLORQBY-UHFFFAOYSA-N	0	0	503.964	3.136	50	0		KGAARN
COC(=O)c1ccc(C(=O)OC)c(NC(=O)CN(c2cc(C)ccc2OC)S(=O)(=O)c2ccccc2)c1	ZINC000002855880	552202216	/nfs/dbraw/zinc/20/22/16/552202216.db2.gz	INUDTJBWAJZREB-UHFFFAOYSA-N	0	0	526.567	3.411	50	0		KGAARN
O=c1n(S(=O)(=O)c2cccc3cccnc32)c2ccccc2n1S(=O)(=O)c1cccc2cccnc21	ZINC000002855987	552202515	/nfs/dbraw/zinc/20/25/15/552202515.db2.gz	FVLZWPBBLAXGCZ-UHFFFAOYSA-N	0	0	516.560	3.373	50	0	aggregator	KGAARN
CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1cccc(Br)c1	ZINC000002856104	552202530	/nfs/dbraw/zinc/20/25/30/552202530.db2.gz	HHAZORUSGALTQX-UHFFFAOYSA-N	0	0	544.493	3.419	50	0		KGAARN
COC(=O)c1ccc(Cl)c(NC(=O)CN(c2ccc(I)cc2)S(C)(=O)=O)c1	ZINC000002856225	552202438	/nfs/dbraw/zinc/20/24/38/552202438.db2.gz	AGVPDOKIKNXBCM-UHFFFAOYSA-N	0	0	522.748	3.136	50	0		KGAARN
COC(=O)c1ccc(C(=O)OC)c(NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc3c(c2)OCCO3)c1	ZINC000002856672	552202393	/nfs/dbraw/zinc/20/23/93/552202393.db2.gz	HZCDTSSNAUXUOU-UHFFFAOYSA-N	0	0	558.540	3.004	50	0		KGAARN
CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc(Cl)c(Cl)c1	ZINC000002856837	552202430	/nfs/dbraw/zinc/20/24/30/552202430.db2.gz	ZIQNTIUXRWDPAQ-UHFFFAOYSA-N	0	0	506.433	3.183	50	0		KGAARN
COC(=O)c1c(NC(=S)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)sc2c1CC[C@H](C)C2	ZINC000002857403	552202686	/nfs/dbraw/zinc/20/26/86/552202686.db2.gz	QWRFVBFUSPHUFB-AWEZNQCLSA-N	0	0	509.675	3.489	50	0		KGAARN
COC(=O)c1c(NC(=S)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)sc2c1CC[C@@H](C)C2	ZINC000002857404	552202670	/nfs/dbraw/zinc/20/26/70/552202670.db2.gz	QWRFVBFUSPHUFB-CQSZACIVSA-N	0	0	509.675	3.489	50	0		KGAARN
CCN(CC)C(=O)c1sc(NC(=S)NCCn2cc(Br)cn2)c(C(=O)OC)c1C	ZINC000002858144	552202989	/nfs/dbraw/zinc/20/29/89/552202989.db2.gz	NPSZBPJMZBLVPH-UHFFFAOYSA-N	0	0	502.460	3.271	50	0		KGAARN
COC(=O)c1ccc(C(=O)OC)c(NC(=O)CN(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)c1	ZINC000002858713	552202938	/nfs/dbraw/zinc/20/29/38/552202938.db2.gz	XUGINDNWZFEPNZ-UHFFFAOYSA-N	0	0	512.540	3.457	50	0		KGAARN
CCCCNC(=O)c1ccccc1NC(=O)CN(c1ccc(I)cc1)S(C)(=O)=O	ZINC000002858906	552203209	/nfs/dbraw/zinc/20/32/09/552203209.db2.gz	WIQYDLFDLFGNGB-UHFFFAOYSA-N	0	0	529.400	3.226	50	0		KGAARN
Nc1nnc(SCC(=O)Nc2ccc(C(=O)c3ccc(NC(=O)CSc4nnc(N)s4)cc3)cc2)s1	ZINC000002863335	552204682	/nfs/dbraw/zinc/20/46/82/552204682.db2.gz	GVBNEZJCECDISA-UHFFFAOYSA-N	0	0	558.696	3.247	50	0		KGAARN
COC(=O)C1=C(C)N(CCc2ccccc2)C(=O)[C@]1(NC(=O)c1cc(OC)c(OC)c(OC)c1)C(F)(F)F	ZINC000002863572	552204898	/nfs/dbraw/zinc/20/48/98/552204898.db2.gz	HDBVWFKPSKDRGZ-VWLOTQADSA-N	0	0	536.503	3.275	50	0		KGAARN
COC(=O)C1=C(C)N(CCc2ccccc2)C(=O)[C@@]1(NC(=O)c1cc(OC)c(OC)c(OC)c1)C(F)(F)F	ZINC000002863573	552204918	/nfs/dbraw/zinc/20/49/18/552204918.db2.gz	HDBVWFKPSKDRGZ-RUZDIDTESA-N	0	0	536.503	3.275	50	0		KGAARN
CS(=O)(=O)CC[C@@H](C(=O)OCc1ccc(Cl)cc1)N1C(=O)c2ccc(Br)cc2C1=O	ZINC000002864377	552204904	/nfs/dbraw/zinc/20/49/04/552204904.db2.gz	LGHOZWSDKLDMQA-KRWDZBQOSA-N	0	0	514.781	3.245	50	0		KGAARN
CS(=O)(=O)CC[C@H](C(=O)OCc1ccc(Cl)cc1)N1C(=O)c2ccc(Br)cc2C1=O	ZINC000002864378	552204880	/nfs/dbraw/zinc/20/48/80/552204880.db2.gz	LGHOZWSDKLDMQA-QGZVFWFLSA-N	0	0	514.781	3.245	50	0		KGAARN
Cc1oc2nc(SCC(=O)Nc3ccc(S(N)(=O)=O)cc3)nc(NC(=O)c3ccccc3)c2c1C	ZINC000002865840	552205401	/nfs/dbraw/zinc/20/54/01/552205401.db2.gz	GSYVSBZBHYYGIY-UHFFFAOYSA-N	0	0	511.585	3.470	50	0		KGAARN
O=C(CSc1nc2ccc(I)cc2c(=O)n1Cc1ccccc1)N1CCOCC1	ZINC000002866936	552205407	/nfs/dbraw/zinc/20/54/07/552205407.db2.gz	GVJSQRCMSBOVEX-UHFFFAOYSA-N	0	0	521.380	3.000	50	0		KGAARN
CCn1c(SCC(=O)Nc2ccc(C)c(Cl)c2)nnc1[C@@H](CO)NC(=O)c1ccc(OC)cc1	ZINC000002867013	552205386	/nfs/dbraw/zinc/20/53/86/552205386.db2.gz	CMAVRIKKKLGNGI-LJQANCHMSA-N	0	0	504.012	3.463	50	0		KGAARN
CCn1c(SCC(=O)Nc2ccc(C)c(Cl)c2)nnc1[C@H](CO)NC(=O)c1ccc(OC)cc1	ZINC000002867014	552205427	/nfs/dbraw/zinc/20/54/27/552205427.db2.gz	CMAVRIKKKLGNGI-IBGZPJMESA-N	0	0	504.012	3.463	50	0		KGAARN
COc1ccc(C(=O)NCCc2nnc(SCC(=O)Nc3ccc(Br)cc3)n2C)cc1	ZINC000002867096	552205881	/nfs/dbraw/zinc/20/58/81/552205881.db2.gz	LCPYDSSJPBHDBA-UHFFFAOYSA-N	0	0	504.410	3.290	50	0		KGAARN
COc1ccc(C(=O)NCc2nnc(SCC(=O)Nc3cccc(Br)c3)n2C)cc1OC	ZINC000002868350	552206098	/nfs/dbraw/zinc/20/60/98/552206098.db2.gz	NAQSPIIOKRTZSF-UHFFFAOYSA-N	0	0	520.409	3.256	50	0		KGAARN
COc1ccc(Cl)cc1NC(=O)CSc1nnc([C@@H](CO)NC(=O)c2ccccc2Cl)n1C	ZINC000002869459	552206363	/nfs/dbraw/zinc/20/63/63/552206363.db2.gz	AZULEGQNQQTNRY-MRXNPFEDSA-N	0	0	510.403	3.325	50	0		KGAARN
COc1ccc(Cl)cc1NC(=O)CSc1nnc([C@H](CO)NC(=O)c2ccccc2Cl)n1C	ZINC000002869460	552206437	/nfs/dbraw/zinc/20/64/37/552206437.db2.gz	AZULEGQNQQTNRY-INIZCTEOSA-N	0	0	510.403	3.325	50	0		KGAARN
CCN(CC)S(=O)(=O)c1ccc(NC(=O)CN(c2ccc(Br)c(C)c2)S(C)(=O)=O)cc1	ZINC000002870394	552206619	/nfs/dbraw/zinc/20/66/19/552206619.db2.gz	QNBYLVNKRKGBGE-UHFFFAOYSA-N	0	0	532.482	3.193	50	0		KGAARN
CC(C)(C)c1ccc(C(=O)N[C@]2(C(F)(F)F)C(=O)Nc3c2c(=O)[nH]c(=O)n3CCc2ccccc2)cc1	ZINC000002870431	552206662	/nfs/dbraw/zinc/20/66/62/552206662.db2.gz	NYTWYYCTBBJETK-VWLOTQADSA-N	0	0	514.504	3.217	50	0		KGAARN
CC(C)(C)c1ccc(C(=O)N[C@@]2(C(F)(F)F)C(=O)Nc3c2c(=O)[nH]c(=O)n3CCc2ccccc2)cc1	ZINC000002870432	552206548	/nfs/dbraw/zinc/20/65/48/552206548.db2.gz	NYTWYYCTBBJETK-RUZDIDTESA-N	0	0	514.504	3.217	50	0		KGAARN
Cc1c(C)c(NC(=O)CSc2nnc([C@@H](CO)NC(=O)c3ccccc3)n2C)ccc1Br	ZINC000002871755	552206888	/nfs/dbraw/zinc/20/68/88/552206888.db2.gz	DQPGKOWSQSIPHY-GOSISDBHSA-N	0	0	518.437	3.389	50	0		KGAARN
Cc1c(C)c(NC(=O)CSc2nnc([C@H](CO)NC(=O)c3ccccc3)n2C)ccc1Br	ZINC000002871756	552206821	/nfs/dbraw/zinc/20/68/21/552206821.db2.gz	DQPGKOWSQSIPHY-SFHVURJKSA-N	0	0	518.437	3.389	50	0		KGAARN
COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3cccc(N(C)S(C)(=O)=O)c3)cc2)cc1	ZINC000002873256	552206814	/nfs/dbraw/zinc/20/68/14/552206814.db2.gz	ZAYDVRWPEBCILZ-UHFFFAOYSA-N	0	0	503.602	3.168	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc4c(cc3Cl)OCO4)c(=O)n2[C@H]1c1cccc(OC)c1	ZINC000002873429	552207224	/nfs/dbraw/zinc/20/72/24/552207224.db2.gz	FFNWPQVVWZAPLY-OFHGOEMBSA-N	0	0	512.971	3.189	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc4c(cc3Cl)OCO4)c(=O)n2[C@@H]1c1cccc(OC)c1	ZINC000002873431	552207219	/nfs/dbraw/zinc/20/72/19/552207219.db2.gz	FFNWPQVVWZAPLY-HSELDNCXSA-N	0	0	512.971	3.189	50	0		KGAARN
CN(c1cccc(NC(=O)CN(c2cc(Cl)c(Cl)cc2Cl)S(C)(=O)=O)c1)S(C)(=O)=O	ZINC000002873736	552207209	/nfs/dbraw/zinc/20/72/09/552207209.db2.gz	KFTCOPFPECKBQR-UHFFFAOYSA-N	0	0	514.840	3.447	50	0		KGAARN
O=S(=O)(NCc1ccccc1)c1cccc(S(=O)(=O)c2cccc(S(=O)(=O)NCc3ccccc3)c2)c1	ZINC000002874908	552207434	/nfs/dbraw/zinc/20/74/34/552207434.db2.gz	MOEYVZGXTLYBPF-UHFFFAOYSA-N	0	0	556.687	3.476	50	0		KGAARN
COc1ccc(S(=O)(=O)N(CC(=O)NCCc2ccc(OC)c(OC)c2)c2ccc(F)cc2)cc1	ZINC000002875352	552207320	/nfs/dbraw/zinc/20/73/20/552207320.db2.gz	MOXRBFBSCWAHLW-UHFFFAOYSA-N	0	0	502.564	3.406	50	0		KGAARN
COc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(N(C)S(C)(=O)=O)c2)c2ccc(F)cc2)cc1	ZINC000002875370	552207385	/nfs/dbraw/zinc/20/73/85/552207385.db2.gz	YVNPBRYKKZXPBN-UHFFFAOYSA-N	0	0	521.592	3.064	50	0		KGAARN
C[C@@H](C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)N(c1ccc(Cl)cc1)S(C)(=O)=O	ZINC000002875457	552207634	/nfs/dbraw/zinc/20/76/34/552207634.db2.gz	CNNNBLLWVIDROF-INIZCTEOSA-N	0	0	500.042	3.308	50	0		KGAARN
C[C@H](C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)N(c1ccc(Cl)cc1)S(C)(=O)=O	ZINC000002875458	552207644	/nfs/dbraw/zinc/20/76/44/552207644.db2.gz	CNNNBLLWVIDROF-MRXNPFEDSA-N	0	0	500.042	3.308	50	0		KGAARN
Cc1cc(N(CC(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)S(C)(=O)=O)ccc1Br	ZINC000002875824	552207671	/nfs/dbraw/zinc/20/76/71/552207671.db2.gz	QVKGDWOGABBSGR-UHFFFAOYSA-N	0	0	544.493	3.337	50	0		KGAARN
CC(=O)c1ccc(COC(=O)[C@@H](CCS(C)(=O)=O)N2C(=O)c3cc(Cl)c(Cl)cc3C2=O)cc1	ZINC000002876915	552207689	/nfs/dbraw/zinc/20/76/89/552207689.db2.gz	OLWBBEUULDEIEX-LJQANCHMSA-N	0	0	512.367	3.339	50	0		KGAARN
CC(=O)c1ccc(COC(=O)[C@H](CCS(C)(=O)=O)N2C(=O)c3cc(Cl)c(Cl)cc3C2=O)cc1	ZINC000002876916	552207609	/nfs/dbraw/zinc/20/76/09/552207609.db2.gz	OLWBBEUULDEIEX-IBGZPJMESA-N	0	0	512.367	3.339	50	0		KGAARN
CCOc1ccc(N(CC(=O)Nc2cccc(N(C)S(C)(=O)=O)c2)S(=O)(=O)c2ccc(F)cc2)cc1	ZINC000002877178	552207984	/nfs/dbraw/zinc/20/79/84/552207984.db2.gz	AXFSGHITTHVZJQ-UHFFFAOYSA-N	0	0	535.619	3.454	50	0		KGAARN
CCn1c(CNC(=O)c2ccc(C)cc2)nnc1SCC(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O	ZINC000002880935	552208440	/nfs/dbraw/zinc/20/84/40/552208440.db2.gz	BQKQDBBZIDOWQJ-UHFFFAOYSA-N	0	0	519.631	3.065	50	0		KGAARN
Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1S(=O)(=O)Nc1ccccc1	ZINC000002881686	552208835	/nfs/dbraw/zinc/20/88/35/552208835.db2.gz	YYFTTYXVCJKZNG-UHFFFAOYSA-N	0	0	515.613	3.069	50	0		KGAARN
CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc(Cl)cc1Cl	ZINC000002883131	552209000	/nfs/dbraw/zinc/20/90/00/552209000.db2.gz	IAKOCKRJCQWLDL-UHFFFAOYSA-N	0	0	506.433	3.183	50	0		KGAARN
COC(=O)c1ccccc1NC(=O)CCS(=O)(=O)c1nc(-c2ccc3c(c2)OCO3)cc(C(F)(F)F)n1	ZINC000002884268	552209010	/nfs/dbraw/zinc/20/90/10/552209010.db2.gz	QITLNUDISIYZNQ-UHFFFAOYSA-N	0	0	537.472	3.480	50	0		KGAARN
COc1ccccc1N1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(Br)cc3)C2)CC1	ZINC000002885143	552209355	/nfs/dbraw/zinc/20/93/55/552209355.db2.gz	NWCAVCNCCSGSIU-SFHVURJKSA-N	0	0	522.465	3.207	50	0		KGAARN
COc1ccccc1N1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(Br)cc3)C2)CC1	ZINC000002885144	552209372	/nfs/dbraw/zinc/20/93/72/552209372.db2.gz	NWCAVCNCCSGSIU-GOSISDBHSA-N	0	0	522.465	3.207	50	0		KGAARN
COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)Nc2ccc3c(c2)OCCO3)cc1OC	ZINC000002891853	552211748	/nfs/dbraw/zinc/21/17/48/552211748.db2.gz	IHJXXOHPLNSPTJ-UHFFFAOYSA-N	0	0	512.584	3.347	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(I)cc3)c(=O)n2[C@H]1c1ccccc1	ZINC000002896944	552212323	/nfs/dbraw/zinc/21/23/23/552212323.db2.gz	FYPAEEMZKKILBX-LVSKKATPSA-N	0	0	530.387	3.403	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(I)cc3)c(=O)n2[C@@H]1c1ccccc1	ZINC000002896946	552212261	/nfs/dbraw/zinc/21/22/61/552212261.db2.gz	FYPAEEMZKKILBX-MTGKDYNDSA-N	0	0	530.387	3.403	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(I)cc3)c(=O)n2[C@H]1c1ccc(OC)cc1OC	ZINC000002897418	552212204	/nfs/dbraw/zinc/21/22/04/552212204.db2.gz	KUORPZZIDXLDPD-AFHVAHMMSA-N	0	0	590.439	3.420	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(I)cc3)c(=O)n2[C@@H]1c1ccc(OC)cc1OC	ZINC000002897420	552212337	/nfs/dbraw/zinc/21/23/37/552212337.db2.gz	KUORPZZIDXLDPD-ZRELAVNMSA-N	0	0	590.439	3.420	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(I)cc3)c(=O)n2[C@H]1c1ccc(O)cc1	ZINC000002897441	552212247	/nfs/dbraw/zinc/21/22/47/552212247.db2.gz	RQPBBAKURGUGNY-SQWSFHKJSA-N	0	0	546.386	3.109	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(I)cc3)c(=O)n2[C@@H]1c1ccc(O)cc1	ZINC000002897443	552212335	/nfs/dbraw/zinc/21/23/35/552212335.db2.gz	RQPBBAKURGUGNY-JKALPCAWSA-N	0	0	546.386	3.109	50	0		KGAARN
NS(=O)(=O)c1ccc(NC(=S)N[C@@H](NC(=O)/C=C/c2ccccc2)C(Cl)(Cl)Cl)cc1	ZINC000002905350	552212729	/nfs/dbraw/zinc/21/27/29/552212729.db2.gz	BXZSOEMLZDCVBE-HKUPYCBJSA-N	0	0	507.852	3.146	50	0		KGAARN
NS(=O)(=O)c1ccc(NC(=S)N[C@H](NC(=O)/C=C/c2ccccc2)C(Cl)(Cl)Cl)cc1	ZINC000002905352	552212714	/nfs/dbraw/zinc/21/27/14/552212714.db2.gz	BXZSOEMLZDCVBE-RFKZRZAASA-N	0	0	507.852	3.146	50	0		KGAARN
CCOC(=O)C1=C(C)C2[C@@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@@H]3C1(C)[C@H]1C(=O)N(c3ccc(F)cc3)C(=O)[C@H]12	ZINC000002911717	552214599	/nfs/dbraw/zinc/21/45/99/552214599.db2.gz	FVEBBLVSLATYCQ-URBGSVJMSA-N	0	0	534.515	3.406	50	0		KGAARN
Cc1c(C(=O)Nc2ccc(C)cc2)sc2ncn(CC(=O)N3CCN(c4ccccn4)CC3)c(=O)c12	ZINC000002912166	552215118	/nfs/dbraw/zinc/21/51/18/552215118.db2.gz	DOFFMFLIDAHPHZ-UHFFFAOYSA-N	0	0	502.600	3.071	50	0		KGAARN
Cc1c(C(=O)Nc2cccc(C)c2)sc2ncn(CC(=O)N3CCN(c4ccccn4)CC3)c(=O)c12	ZINC000002912172	552215098	/nfs/dbraw/zinc/21/50/98/552215098.db2.gz	XQCUBAVADWEJKN-UHFFFAOYSA-N	0	0	502.600	3.071	50	0		KGAARN
Cc1c(C(=O)Nc2ccc(C)c(F)c2)sc2ncn(CC(=O)N3CCN(c4ccccn4)CC3)c(=O)c12	ZINC000002912178	552215126	/nfs/dbraw/zinc/21/51/26/552215126.db2.gz	VKDSEZDQDKYNGN-UHFFFAOYSA-N	0	0	520.590	3.210	50	0		KGAARN
Cc1c(C(=O)Nc2cc(F)ccc2C)sc2ncn(CC(=O)N3CCN(c4ccccn4)CC3)c(=O)c12	ZINC000002912181	552215161	/nfs/dbraw/zinc/21/51/61/552215161.db2.gz	WEEFOQZNRVJRIV-UHFFFAOYSA-N	0	0	520.590	3.210	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)c(I)c3)c(=O)n2[C@H]1c1ccc(OC)cc1	ZINC000002912493	552215059	/nfs/dbraw/zinc/21/50/59/552215059.db2.gz	MCUIIUPBGXGGAA-WLJFKGHSSA-N	0	0	590.439	3.420	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)c(I)c3)c(=O)n2[C@@H]1c1ccc(OC)cc1	ZINC000002912496	552215029	/nfs/dbraw/zinc/21/50/29/552215029.db2.gz	MCUIIUPBGXGGAA-VLOXRPPESA-N	0	0	590.439	3.420	50	0		KGAARN
COc1ccc(CCNC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc3c(c2)OCCO3)cc1OC	ZINC000002912783	552215136	/nfs/dbraw/zinc/21/51/36/552215136.db2.gz	FAIKCIVYHLFUMT-UHFFFAOYSA-N	0	0	526.611	3.025	50	0		KGAARN
O=C(c1cc(-c2ccccn2)nc2ccc(S(=O)(=O)N3CCOCC3)cc21)N1CCN(c2cccc(F)c2)CC1	ZINC000002913065	552215596	/nfs/dbraw/zinc/21/55/96/552215596.db2.gz	PXKWONMWDXPKSR-UHFFFAOYSA-N	0	0	561.639	3.419	50	0		KGAARN
Nc1nnc(CCC(CCc2nnc(N)s2)(CCc2nnc(N)s2)C(=O)c2ccccc2)s1	ZINC000002913905	552215814	/nfs/dbraw/zinc/21/58/14/552215814.db2.gz	JJDAFQRUQCFQBE-UHFFFAOYSA-N	0	0	501.667	3.055	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc4c(cc3Br)OCO4)c(=O)n2[C@H]1c1ccccc1	ZINC000002913908	552215799	/nfs/dbraw/zinc/21/57/99/552215799.db2.gz	ARXQRFDJNFONGL-LYFUXTGPSA-N	0	0	527.396	3.290	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc4c(cc3Br)OCO4)c(=O)n2[C@@H]1c1ccccc1	ZINC000002913912	552215805	/nfs/dbraw/zinc/21/58/05/552215805.db2.gz	ARXQRFDJNFONGL-BYHQVZLYSA-N	0	0	527.396	3.290	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\Cc3cc(Cl)ccc3O)c(=O)n2[C@H]1c1ccc2c(c1)OCO2	ZINC000002918805	552218890	/nfs/dbraw/zinc/21/88/90/552218890.db2.gz	RFJQMHUYLMPMMH-LIHBCPLWSA-N	0	0	512.971	3.080	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\Cc3cc(Cl)ccc3O)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2	ZINC000002918808	552218868	/nfs/dbraw/zinc/21/88/68/552218868.db2.gz	RFJQMHUYLMPMMH-JZRHZWBPSA-N	0	0	512.971	3.080	50	0		KGAARN
Cc1c(C(=O)N2CCN(c3ccccc3F)CC2)sc2ncn(CC(=O)N3CCC[C@@H](C)C3)c(=O)c12	ZINC000002921086	552220232	/nfs/dbraw/zinc/22/02/32/552220232.db2.gz	ZQZBCNKMDOLMTE-QGZVFWFLSA-N	0	0	511.623	3.126	50	0		KGAARN
Cc1c(C(=O)N2CCN(c3ccccc3F)CC2)sc2ncn(CC(=O)N3CCC[C@H](C)C3)c(=O)c12	ZINC000002921088	552220228	/nfs/dbraw/zinc/22/02/28/552220228.db2.gz	ZQZBCNKMDOLMTE-KRWDZBQOSA-N	0	0	511.623	3.126	50	0		KGAARN
Cc1c(C(=O)N2CCN(c3ccc(F)cc3)CC2)sc2ncn(CC(=O)N3CCC(C)CC3)c(=O)c12	ZINC000002922556	552221271	/nfs/dbraw/zinc/22/12/71/552221271.db2.gz	HHFOJGDUIMMYNX-UHFFFAOYSA-N	0	0	511.623	3.126	50	0		KGAARN
Cc1c(C(=O)N2CCN(c3ccccc3F)CC2)sc2ncn(CC(=O)N3CCC(C)CC3)c(=O)c12	ZINC000002922616	552221536	/nfs/dbraw/zinc/22/15/36/552221536.db2.gz	PVLXZNGQFPMHHK-UHFFFAOYSA-N	0	0	511.623	3.126	50	0		KGAARN
Cc1c(C(=O)N2CCN(c3cccc(Cl)c3)CC2)sc2ncn(CC(=O)N3CCCC3)c(=O)c12	ZINC000002922672	552221452	/nfs/dbraw/zinc/22/14/52/552221452.db2.gz	YJASPMWWQKJESY-UHFFFAOYSA-N	0	0	500.024	3.005	50	0		KGAARN
COc1ccccc1NC(=O)Cn1cnc2sc(C(=O)Nc3ccc4c(c3)OCCO4)c(C)c2c1=O	ZINC000002922805	552221498	/nfs/dbraw/zinc/22/14/98/552221498.db2.gz	FVRMBBZBXVCRJS-UHFFFAOYSA-N	0	0	506.540	3.437	50	0		KGAARN
COc1ccccc1NC(=O)Cn1cnc2sc(C(=O)N3CCN(c4ccccc4)CC3)c(C)c2c1=O	ZINC000002922817	552221859	/nfs/dbraw/zinc/22/18/59/552221859.db2.gz	POYWAIABTNMMST-UHFFFAOYSA-N	0	0	517.611	3.376	50	0		KGAARN
COC(=O)c1ccccc1NC(=O)c1sc2ncn(CC(=O)Nc3ccccc3OC)c(=O)c2c1C	ZINC000002922822	552221883	/nfs/dbraw/zinc/22/18/83/552221883.db2.gz	QGLPACANKVCKSF-UHFFFAOYSA-N	0	0	506.540	3.453	50	0		KGAARN
COc1ccccc1NC(=O)Cn1cnc2sc(C(=O)NCCc3ccc(OC)c(OC)c3)c(C)c2c1=O	ZINC000002922835	552221896	/nfs/dbraw/zinc/22/18/96/552221896.db2.gz	FMPVTLAYUXNRBX-UHFFFAOYSA-N	0	0	536.610	3.403	50	0		KGAARN
O=C(CNC(=O)Cn1cnc2sc3c(c2c1=O)CCCC3)Nc1c(F)cc(F)cc1Br	ZINC000002924741	552222368	/nfs/dbraw/zinc/22/23/68/552222368.db2.gz	NKKHHAFRFZKBDV-UHFFFAOYSA-N	0	0	511.348	3.132	50	0		KGAARN
Cc1ccc(-n2c(SCC(=O)NCCc3ccc(S(N)(=O)=O)cc3)nc3ccsc3c2=O)cc1C	ZINC000002925218	552222814	/nfs/dbraw/zinc/22/28/14/552222814.db2.gz	VNOSDUPQUZBVDQ-UHFFFAOYSA-N	0	0	528.681	3.162	50	0		KGAARN
O=C(CCCn1c(=O)c2sccc2nc1SCC(=O)Nc1nccs1)NCc1ccc2c(c1)OCO2	ZINC000002925395	552223077	/nfs/dbraw/zinc/22/30/77/552223077.db2.gz	HLXLMAODYLYFTR-UHFFFAOYSA-N	0	0	543.652	3.471	50	0		KGAARN
Cc1cc(NC(=O)CSc2nc3ccsc3c(=O)n2CCCC(=O)NCc2ccc3c(c2)OCO3)no1	ZINC000002925397	552223085	/nfs/dbraw/zinc/22/30/85/552223085.db2.gz	PZMHHKRIKPRSPW-UHFFFAOYSA-N	0	0	541.611	3.311	50	0		KGAARN
Cc1cc(NC(=O)CSc2nc3ccsc3c(=O)n2CCCC(=O)NCc2ccc3c(c2)OCO3)n[nH]1	ZINC000002925399	552223082	/nfs/dbraw/zinc/22/30/82/552223082.db2.gz	SWHQFJZQQZKESU-UHFFFAOYSA-N	0	0	540.627	3.046	50	0		KGAARN
Cc1c(C(=O)N2CCC3(CC2)OCCO3)sc2ncn(CC(=O)Nc3cccc(C(F)(F)F)c3)c(=O)c12	ZINC000002925714	552223558	/nfs/dbraw/zinc/22/35/58/552223558.db2.gz	FVFGDBWQRRJUEX-UHFFFAOYSA-N	0	0	536.532	3.403	50	0		KGAARN
Cc1c(C(=O)N2CCC3(CC2)OCCO3)sc2ncn(CC(=O)Nc3ccc(C)c(Cl)c3)c(=O)c12	ZINC000002925822	552223922	/nfs/dbraw/zinc/22/39/22/552223922.db2.gz	WAJPJUQCGUWJCR-UHFFFAOYSA-N	0	0	517.007	3.346	50	0		KGAARN
Cc1c(C(=O)N2CCN(c3ccccc3F)CC2)sc2ncn(CC(=O)N3C[C@H](C)C[C@H](C)C3)c(=O)c12	ZINC000002926698	552224412	/nfs/dbraw/zinc/22/44/12/552224412.db2.gz	CCAVIESBKLBRFR-HDICACEKSA-N	0	0	525.650	3.372	50	0		KGAARN
Cc1c(C(=O)N2CCN(c3ccccc3F)CC2)sc2ncn(CC(=O)N3C[C@@H](C)C[C@H](C)C3)c(=O)c12	ZINC000002926699	552224460	/nfs/dbraw/zinc/22/44/60/552224460.db2.gz	CCAVIESBKLBRFR-ROUUACIJSA-N	0	0	525.650	3.372	50	0		KGAARN
Cc1c(C(=O)N2CCN(c3ccccc3F)CC2)sc2ncn(CC(=O)N3C[C@H](C)C[C@@H](C)C3)c(=O)c12	ZINC000002926700	552224423	/nfs/dbraw/zinc/22/44/23/552224423.db2.gz	CCAVIESBKLBRFR-QZTJIDSGSA-N	0	0	525.650	3.372	50	0		KGAARN
Cc1c(C(=O)N2CCN(c3ccccc3)CC2)sc2ncn(CC(=O)N3C[C@@H](C)C[C@H](C)C3)c(=O)c12	ZINC000002926715	552224446	/nfs/dbraw/zinc/22/44/46/552224446.db2.gz	WLFXLLWJKHPTBD-OALUTQOASA-N	0	0	507.660	3.233	50	0		KGAARN
Cc1c(C(=O)N2CCN(c3ccccc3)CC2)sc2ncn(CC(=O)N3C[C@H](C)C[C@@H](C)C3)c(=O)c12	ZINC000002926716	552224462	/nfs/dbraw/zinc/22/44/62/552224462.db2.gz	WLFXLLWJKHPTBD-RTBURBONSA-N	0	0	507.660	3.233	50	0		KGAARN
Cc1c(C(=O)N2CCN(c3ccc(F)cc3)CC2)sc2ncn(CC(=O)N3C[C@@H](C)C[C@H](C)C3)c(=O)c12	ZINC000002926796	552224694	/nfs/dbraw/zinc/22/46/94/552224694.db2.gz	RQUDOWBEZCMDPX-ROUUACIJSA-N	0	0	525.650	3.372	50	0		KGAARN
Cc1c(C(=O)N2CCN(c3ccc(F)cc3)CC2)sc2ncn(CC(=O)N3C[C@H](C)C[C@@H](C)C3)c(=O)c12	ZINC000002926797	552224739	/nfs/dbraw/zinc/22/47/39/552224739.db2.gz	RQUDOWBEZCMDPX-QZTJIDSGSA-N	0	0	525.650	3.372	50	0		KGAARN
CCOc1ccc(-n2c(N)c3c(C)nnc-3nc2SCC(=O)NCCc2ccc(OC)c(OC)c2)cc1	ZINC000002927228	552224892	/nfs/dbraw/zinc/22/48/92/552224892.db2.gz	PWYOIBREOKLILT-UHFFFAOYSA-N	0	0	522.631	3.403	50	0		KGAARN
COc1ccc(-n2c(N)c3c(C)nnc-3nc2SCC(=O)NCCc2ccc(OC)c(OC)c2)cc1	ZINC000002927401	552224888	/nfs/dbraw/zinc/22/48/88/552224888.db2.gz	BQPBPAVQAYWYFR-UHFFFAOYSA-N	0	0	508.604	3.013	50	0		KGAARN
CC(=O)N1c2c(cc(Br)cc2S(=O)(=O)NN2CCN(c3ccc(Cl)cc3)CC2)C[C@@H]1C	ZINC000002927986	552225189	/nfs/dbraw/zinc/22/51/89/552225189.db2.gz	HDBGDWKRKCLSAS-AWEZNQCLSA-N	0	0	527.872	3.416	50	0		KGAARN
CC(=O)N1c2c(cc(Br)cc2S(=O)(=O)NN2CCN(c3ccc(Cl)cc3)CC2)C[C@H]1C	ZINC000002927988	552225127	/nfs/dbraw/zinc/22/51/27/552225127.db2.gz	HDBGDWKRKCLSAS-CQSZACIVSA-N	0	0	527.872	3.416	50	0		KGAARN
CSCC[C@@H](NS(=O)(=O)c1ccc2c(c1)oc(=O)n2C)C(=O)Nc1ccc(C)cc1Br	ZINC000002928748	552225392	/nfs/dbraw/zinc/22/53/92/552225392.db2.gz	BWJGXITWYNPVJD-MRXNPFEDSA-N	0	0	528.450	3.241	50	0		KGAARN
CSCC[C@H](NS(=O)(=O)c1ccc2c(c1)oc(=O)n2C)C(=O)Nc1ccc(C)cc1Br	ZINC000002928751	552225434	/nfs/dbraw/zinc/22/54/34/552225434.db2.gz	BWJGXITWYNPVJD-INIZCTEOSA-N	0	0	528.450	3.241	50	0		KGAARN
CSCC[C@H](NS(=O)(=O)c1ccc2c(c1)oc(=O)n2C)C(=O)Nc1ccc(OC(F)(F)F)cc1	ZINC000002928764	552225390	/nfs/dbraw/zinc/22/53/90/552225390.db2.gz	NPKZUQXRNAPWBC-HNNXBMFYSA-N	0	0	519.523	3.069	50	0		KGAARN
CSCC[C@@H](NS(=O)(=O)c1ccc2c(c1)oc(=O)n2C)C(=O)Nc1ccc(OC(F)(F)F)cc1	ZINC000002928765	552225386	/nfs/dbraw/zinc/22/53/86/552225386.db2.gz	NPKZUQXRNAPWBC-OAHLLOKOSA-N	0	0	519.523	3.069	50	0		KGAARN
CSCC[C@H](NS(=O)(=O)c1ccc2c(c1)oc(=O)n2C)C(=O)Nc1ccccc1C(F)(F)F	ZINC000002928768	552225420	/nfs/dbraw/zinc/22/54/20/552225420.db2.gz	XZPZOAUJJIRSBY-HNNXBMFYSA-N	0	0	503.524	3.189	50	0		KGAARN
CSCC[C@@H](NS(=O)(=O)c1ccc2c(c1)oc(=O)n2C)C(=O)Nc1ccccc1C(F)(F)F	ZINC000002928769	552225363	/nfs/dbraw/zinc/22/53/63/552225363.db2.gz	XZPZOAUJJIRSBY-OAHLLOKOSA-N	0	0	503.524	3.189	50	0		KGAARN
CSCC[C@H](NS(=O)(=O)c1ccc2c(c1)oc(=O)n2C)C(=O)NC(c1ccccc1)c1ccccc1	ZINC000002928781	552225407	/nfs/dbraw/zinc/22/54/07/552225407.db2.gz	NNEKOQISATZDMS-NRFANRHFSA-N	0	0	525.652	3.437	50	0		KGAARN
CSCC[C@@H](NS(=O)(=O)c1ccc2c(c1)oc(=O)n2C)C(=O)NC(c1ccccc1)c1ccccc1	ZINC000002928783	552225352	/nfs/dbraw/zinc/22/53/52/552225352.db2.gz	NNEKOQISATZDMS-OAQYLSRUSA-N	0	0	525.652	3.437	50	0		KGAARN
CCOc1ccc2nc(NC(=O)[C@@H](CCSC)NS(=O)(=O)c3ccc4c(c3)oc(=O)n4C)sc2c1	ZINC000002928955	552225433	/nfs/dbraw/zinc/22/54/33/552225433.db2.gz	ZLFVGWWWRGOXHE-MRXNPFEDSA-N	0	0	536.657	3.179	50	0		KGAARN
CCOc1ccc2nc(NC(=O)[C@H](CCSC)NS(=O)(=O)c3ccc4c(c3)oc(=O)n4C)sc2c1	ZINC000002928957	552225377	/nfs/dbraw/zinc/22/53/77/552225377.db2.gz	ZLFVGWWWRGOXHE-INIZCTEOSA-N	0	0	536.657	3.179	50	0		KGAARN
CSCC[C@H](NS(=O)(=O)c1ccc2c(c1)oc(=O)n2C)C(=O)Nc1nc2ccc(Cl)cc2s1	ZINC000002928966	552225441	/nfs/dbraw/zinc/22/54/41/552225441.db2.gz	NNCQFUHODKQXSV-AWEZNQCLSA-N	0	0	527.049	3.433	50	0		KGAARN
CSCC[C@@H](NS(=O)(=O)c1ccc2c(c1)oc(=O)n2C)C(=O)Nc1nc2ccc(Cl)cc2s1	ZINC000002928968	552225684	/nfs/dbraw/zinc/22/56/84/552225684.db2.gz	NNCQFUHODKQXSV-CQSZACIVSA-N	0	0	527.049	3.433	50	0		KGAARN
CSCC[C@@H](NS(=O)(=O)c1ccc2c(c1)oc(=O)n2C)C(=O)Nc1nc2ccc(C)cc2s1	ZINC000002928991	552225683	/nfs/dbraw/zinc/22/56/83/552225683.db2.gz	ZJDGPYTZZRAWAW-OAHLLOKOSA-N	0	0	506.631	3.088	50	0		KGAARN
CSCC[C@H](NS(=O)(=O)c1ccc2c(c1)oc(=O)n2C)C(=O)Nc1nc2ccc(C)cc2s1	ZINC000002928993	552225679	/nfs/dbraw/zinc/22/56/79/552225679.db2.gz	ZJDGPYTZZRAWAW-HNNXBMFYSA-N	0	0	506.631	3.088	50	0		KGAARN
CSCC[C@@H](NS(=O)(=O)c1ccc2c(c1)oc(=O)n2C)C(=O)Nc1ccc(Br)c(C)c1	ZINC000002929101	552225632	/nfs/dbraw/zinc/22/56/32/552225632.db2.gz	XBDBEEMMNZJZOY-MRXNPFEDSA-N	0	0	528.450	3.241	50	0		KGAARN
CSCC[C@H](NS(=O)(=O)c1ccc2c(c1)oc(=O)n2C)C(=O)Nc1ccc(Br)c(C)c1	ZINC000002929103	552225624	/nfs/dbraw/zinc/22/56/24/552225624.db2.gz	XBDBEEMMNZJZOY-INIZCTEOSA-N	0	0	528.450	3.241	50	0		KGAARN
COc1ccccc1N1CCN(c2ncnc3sc(C(=O)N4CCC5(CC4)OCCO5)c(C)c32)CC1	ZINC000002931163	552225959	/nfs/dbraw/zinc/22/59/59/552225959.db2.gz	AWVDHWOPDHERTH-UHFFFAOYSA-N	0	0	509.632	3.314	50	0		KGAARN
O=C(COc1ccccc1Br)Nn1c(=O)c2sccc2nc1SCC(=O)NCc1ccco1	ZINC000002932361	552226378	/nfs/dbraw/zinc/22/63/78/552226378.db2.gz	JHIOETPEYZCSMM-UHFFFAOYSA-N	0	0	549.428	3.371	50	0		KGAARN
NS(=O)(=O)c1ccc(CCNC(=O)CSc2nc3ccccc3c(NCc3ccccc3)n2)cc1	ZINC000002933022	552226819	/nfs/dbraw/zinc/22/68/19/552226819.db2.gz	AUIUYHKDHOJLLI-UHFFFAOYSA-N	0	0	507.641	3.340	50	0		KGAARN
CN(c1ccc(Br)cc1)S(=O)(=O)c1ccc2ncc(C(=O)NCc3ccccn3)c(O)c2c1	ZINC000002937245	552227359	/nfs/dbraw/zinc/22/73/59/552227359.db2.gz	VQBLUQOTUOFQGH-UHFFFAOYSA-N	0	0	527.400	3.441	50	0		KGAARN
COc1ccc(-n2nc(C(=O)N3CCN(c4ccccc4OC)CC3)c3ccccc3c2=O)c(OC)c1	ZINC000002942966	552227969	/nfs/dbraw/zinc/22/79/69/552227969.db2.gz	FTFFVYVSYHFTNJ-UHFFFAOYSA-N	0	0	500.555	3.374	50	0		KGAARN
COc1ccc(CNc2nc(SCC(=O)NCCc3ccc(S(N)(=O)=O)cc3)nc3ccccc32)cc1	ZINC000002948810	552228451	/nfs/dbraw/zinc/22/84/51/552228451.db2.gz	SLLNJYPMVXIDOK-UHFFFAOYSA-N	0	0	537.667	3.349	50	0		KGAARN
NS(=O)(=O)c1ccc(CCNC(=O)CSc2nc3ccccc3c(Nc3ccc4c(c3)OCO4)n2)cc1	ZINC000002948919	552228741	/nfs/dbraw/zinc/22/87/41/552228741.db2.gz	GPIYHAYVLVAYQC-UHFFFAOYSA-N	0	0	537.623	3.201	50	0		KGAARN
COc1cc(Nc2nc(SCC(=O)NCCc3ccc(S(N)(=O)=O)cc3)nc3ccccc32)cc(OC)c1	ZINC000002949104	552228714	/nfs/dbraw/zinc/22/87/14/552228714.db2.gz	XHELRQZMICXMLO-UHFFFAOYSA-N	0	0	553.666	3.489	50	0		KGAARN
NS(=O)(=O)c1ccc(CCNC(=O)Cc2csc(Nc3[nH]c(=S)nc4ccccc43)n2)cc1	ZINC000002949198	552228780	/nfs/dbraw/zinc/22/87/80/552228780.db2.gz	JFAOLRDRYUAYKX-UHFFFAOYSA-N	0	0	500.631	3.041	50	0		KGAARN
COC(=O)c1ccccc1NC(=O)Cn1c2sc(C(=O)N(C)C)c(C)c2c(=O)n(-c2ccc(Cl)cc2)c1=O	ZINC000002949250	552228794	/nfs/dbraw/zinc/22/87/94/552228794.db2.gz	OKNOHVMHMSLJNJ-UHFFFAOYSA-N	0	0	555.012	3.303	50	0		KGAARN
CCN(CC)C(=O)Cn1c2sc(C(=O)N(C)C)c(C)c2c(=O)n(-c2ccc(Cl)c(Cl)c2)c1=O	ZINC000002956644	552231335	/nfs/dbraw/zinc/23/13/35/552231335.db2.gz	UPKBVFMAUQYBDB-UHFFFAOYSA-N	0	0	511.431	3.399	50	0		KGAARN
Cc1c(C(=O)N(C)C)sc2c1c(=O)n(-c1ccc(Cl)c(Cl)c1)c(=O)n2CC(=O)NCc1ccco1	ZINC000002956663	552231294	/nfs/dbraw/zinc/23/12/94/552231294.db2.gz	SNEHNQZQOBOZHN-UHFFFAOYSA-N	0	0	535.409	3.440	50	0		KGAARN
CCOC(=O)c1ccccc1NC(=O)Cn1c2sc(C(=O)N(C)C)c(C)c2c(=O)n(-c2ccc(OCC)cc2)c1=O	ZINC000002956755	552231521	/nfs/dbraw/zinc/23/15/21/552231521.db2.gz	UUXYYNOVEPPBKV-UHFFFAOYSA-N	0	0	578.647	3.438	50	0		KGAARN
CCOc1ccc(-n2c(=O)c3c(C)c(C(=O)N(C)C)sc3n(CC(=O)Nc3ccccc3F)c2=O)cc1	ZINC000002956766	552231458	/nfs/dbraw/zinc/23/14/58/552231458.db2.gz	LZAZFJULIMKPSG-UHFFFAOYSA-N	0	0	524.574	3.401	50	0		KGAARN
CCc1ccc(NC(=O)Cn2c3sc(C(=O)N(C)C)c(C)c3c(=O)n(-c3cccc(OC)c3)c2=O)cc1	ZINC000002956778	552231544	/nfs/dbraw/zinc/23/15/44/552231544.db2.gz	LKZANQHNYRVCOS-UHFFFAOYSA-N	0	0	520.611	3.434	50	0		KGAARN
COc1cccc(-n2c(=O)c3c(C)c(C(=O)N(C)C)sc3n(CC(=O)Nc3ccccc3C)c2=O)c1	ZINC000002956792	552231818	/nfs/dbraw/zinc/23/18/18/552231818.db2.gz	HVCWPLYPTUUZKX-UHFFFAOYSA-N	0	0	506.584	3.180	50	0		KGAARN
COc1cccc(-n2c(=O)c3c(C)c(C(=O)N(C)C)sc3n(CC(=O)Nc3cccc(C)c3)c2=O)c1	ZINC000002956795	552231799	/nfs/dbraw/zinc/23/17/99/552231799.db2.gz	ISPOFQYYTCXPFC-UHFFFAOYSA-N	0	0	506.584	3.180	50	0		KGAARN
CCOc1ccccc1NC(=O)Cn1c2sc(C(=O)N(C)C)c(C)c2c(=O)n(-c2cccc(OC)c2)c1=O	ZINC000002956798	552231804	/nfs/dbraw/zinc/23/18/04/552231804.db2.gz	ZNNRHIVANCUJMC-UHFFFAOYSA-N	0	0	536.610	3.270	50	0		KGAARN
CCOC(=O)c1ccccc1NC(=O)Cn1c2sc(C(=O)N(C)C)c(C)c2c(=O)n(-c2cccc(OC)c2)c1=O	ZINC000002956800	552231796	/nfs/dbraw/zinc/23/17/96/552231796.db2.gz	RBXLVFDCSDHZAE-UHFFFAOYSA-N	0	0	564.620	3.048	50	0		KGAARN
COc1cccc(-n2c(=O)c3c(C)c(C(=O)N(C)C)sc3n(CC(=O)Nc3ccc(C)cc3C)c2=O)c1	ZINC000002956804	552231793	/nfs/dbraw/zinc/23/17/93/552231793.db2.gz	NBHYQEQFBRVAAC-UHFFFAOYSA-N	0	0	520.611	3.488	50	0		KGAARN
COc1cccc(-n2c(=O)c3c(C)c(C(=O)N(C)C)sc3n(CC(=O)Nc3ccccc3F)c2=O)c1	ZINC000002956806	552231791	/nfs/dbraw/zinc/23/17/91/552231791.db2.gz	RCHZJBSGMQVJKO-UHFFFAOYSA-N	0	0	510.547	3.011	50	0		KGAARN
COc1cccc(-n2c(=O)c3c(C)c(C(=O)N(C)C)sc3n(CC(=O)Nc3c(C)cccc3C)c2=O)c1	ZINC000002956827	552231795	/nfs/dbraw/zinc/23/17/95/552231795.db2.gz	IWXCNILOOVHVBW-UHFFFAOYSA-N	0	0	520.611	3.488	50	0		KGAARN
CCc1ccc(-n2c(=O)c3c(C)c(C(=O)N(C)C)sc3n(CC(=O)NCCc3ccc(OC)c(OC)c3)c2=O)cc1	ZINC000002956839	552231801	/nfs/dbraw/zinc/23/18/01/552231801.db2.gz	WMAOZHACLUMYRC-UHFFFAOYSA-N	0	0	578.691	3.163	50	0		KGAARN
CCc1ccc(-n2c(=O)c3c(C)c(C(=O)N(C)C)sc3n(CC(=O)Nc3ccccc3C(=O)OC)c2=O)cc1	ZINC000002956847	552231827	/nfs/dbraw/zinc/23/18/27/552231827.db2.gz	IZMXWZSJDQAJRN-UHFFFAOYSA-N	0	0	548.621	3.212	50	0		KGAARN
CCc1ccc(-n2c(=O)c3c(C)c(C(=O)N(C)C)sc3n(CC(=O)N3C[C@@H](C)C[C@H](C)C3)c2=O)cc1	ZINC000002956850	552231835	/nfs/dbraw/zinc/23/18/35/552231835.db2.gz	RNEPLBSTXHIPRH-IRXDYDNUSA-N	0	0	510.660	3.291	50	0		KGAARN
CCc1ccc(-n2c(=O)c3c(C)c(C(=O)N(C)C)sc3n(CC(=O)N3C[C@H](C)C[C@@H](C)C3)c2=O)cc1	ZINC000002956851	552231811	/nfs/dbraw/zinc/23/18/11/552231811.db2.gz	RNEPLBSTXHIPRH-IAGOWNOFSA-N	0	0	510.660	3.291	50	0		KGAARN
CCOc1ccccc1NC(=O)Cn1c2sc(C(=O)N(C)C)c(C)c2c(=O)n(-c2ccccc2)c1=O	ZINC000002956883	552232008	/nfs/dbraw/zinc/23/20/08/552232008.db2.gz	PKPIPMQGXGKLRS-UHFFFAOYSA-N	0	0	506.584	3.262	50	0		KGAARN
CCOC(=O)c1ccccc1NC(=O)Cn1c2sc(C(=O)N(C)C)c(C)c2c(=O)n(-c2ccccc2)c1=O	ZINC000002956884	552232010	/nfs/dbraw/zinc/23/20/10/552232010.db2.gz	TVIGJPNDHJEJKZ-UHFFFAOYSA-N	0	0	534.594	3.040	50	0		KGAARN
CCN(CC)C(=O)c1sc2c(c1C)c(=O)n(CCc1ccccc1)c(=O)n2Cc1cc(=O)n2ccccc2n1	ZINC000002956988	552232214	/nfs/dbraw/zinc/23/22/14/552232214.db2.gz	ITMLGWPMDRPOAA-UHFFFAOYSA-N	0	0	543.649	3.314	50	0		KGAARN
CCN(CC)C(=O)c1sc2c(c1C)c(=O)n(Cc1ccccc1)c(=O)n2Cc1cc(=O)n2ccccc2n1	ZINC000002956990	552232218	/nfs/dbraw/zinc/23/22/18/552232218.db2.gz	ZDPZCPJVQGCZCS-UHFFFAOYSA-N	0	0	529.622	3.120	50	0		KGAARN
CCN(CC)C(=O)c1sc2c(c1C)c(=O)n(-c1ccccc1)c(=O)n2Cc1cc(=O)n2ccccc2n1	ZINC000002957083	552232485	/nfs/dbraw/zinc/23/24/85/552232485.db2.gz	OJTMIEDWLOXKFG-UHFFFAOYSA-N	0	0	515.595	3.061	50	0		KGAARN
CCOc1ccc(NC(=O)Cn2c3sc(C(=O)N(C)C)c(C)c3c(=O)n(-c3ccc(F)cc3)c2=O)cc1	ZINC000002957107	552232646	/nfs/dbraw/zinc/23/26/46/552232646.db2.gz	OORBKSDKVOIORM-UHFFFAOYSA-N	0	0	524.574	3.401	50	0		KGAARN
CCOC(=O)c1ccccc1NC(=O)Cn1c2sc(C(=O)N(C)C)c(C)c2c(=O)n(-c2ccc(F)cc2)c1=O	ZINC000002957117	552232655	/nfs/dbraw/zinc/23/26/55/552232655.db2.gz	LPVMICPZMHSXHO-UHFFFAOYSA-N	0	0	552.584	3.179	50	0		KGAARN
CCc1ccccc1NC(=O)Cn1c2sc(C(=O)N(C)C)c(C)c2c(=O)n(Cc2ccccc2)c1=O	ZINC000002957156	552232616	/nfs/dbraw/zinc/23/26/16/552232616.db2.gz	NWAWQDFYLDCQIX-UHFFFAOYSA-N	0	0	504.612	3.484	50	0		KGAARN
CCc1cccc(NC(=O)Cn2c3sc(C(=O)N(C)C)c(C)c3c(=O)n(Cc3ccccc3)c2=O)c1	ZINC000002957168	552232619	/nfs/dbraw/zinc/23/26/19/552232619.db2.gz	KRHJBUBDAFMKIJ-UHFFFAOYSA-N	0	0	504.612	3.484	50	0		KGAARN
Cc1c(C(=O)N(C)C)sc2c1c(=O)n(Cc1ccccc1)c(=O)n2CC(=O)NCCC1=CCCCC1	ZINC000002957181	552232669	/nfs/dbraw/zinc/23/26/69/552232669.db2.gz	RTTQOVGLRQHBDR-UHFFFAOYSA-N	0	0	508.644	3.290	50	0		KGAARN
CCOc1ccccc1NC(=O)Cn1c2sc(C(=O)N(C)C)c(C)c2c(=O)n(Cc2ccccc2)c1=O	ZINC000002957182	552232622	/nfs/dbraw/zinc/23/26/22/552232622.db2.gz	XORNCANFMVYCLV-UHFFFAOYSA-N	0	0	520.611	3.321	50	0		KGAARN
CCOc1ccc(NC(=O)Cn2c3sc(C(=O)N(C)C)c(C)c3c(=O)n(Cc3ccccc3)c2=O)cc1	ZINC000002957184	552232636	/nfs/dbraw/zinc/23/26/36/552232636.db2.gz	NJCIQCCNECGUJR-UHFFFAOYSA-N	0	0	520.611	3.321	50	0		KGAARN
O=C(c1ccc(NC2=N[C@@H]3CS(=O)(=O)C[C@H]3S2)cc1)N1CCN(c2cccc(C(F)(F)F)c2)CC1	ZINC000002959142	552232986	/nfs/dbraw/zinc/23/29/86/552232986.db2.gz	IAXKNRXBQYOFNS-WOJBJXKFSA-N	0	0	524.590	3.348	50	0		KGAARN
O=C(c1ccc(NC2=N[C@@H]3CS(=O)(=O)C[C@@H]3S2)cc1)N1CCN(c2cccc(C(F)(F)F)c2)CC1	ZINC000002959175	552232958	/nfs/dbraw/zinc/23/29/58/552232958.db2.gz	IAXKNRXBQYOFNS-UXHICEINSA-N	0	0	524.590	3.348	50	0		KGAARN
COc1ccc(CCNC(=O)c2ccc(Cl)c(NC3=N[C@@H]4CS(=O)(=O)C[C@H]4S3)c2)cc1OC	ZINC000002959286	552232978	/nfs/dbraw/zinc/23/29/78/552232978.db2.gz	HBJCMRRJSNHUOJ-YLJYHZDGSA-N	0	0	510.037	3.010	50	0		KGAARN
COc1ccc(CCNC(=O)c2ccc(Cl)c(NC3=N[C@@H]4CS(=O)(=O)C[C@@H]4S3)c2)cc1OC	ZINC000002959288	552232946	/nfs/dbraw/zinc/23/29/46/552232946.db2.gz	HBJCMRRJSNHUOJ-XLIONFOSSA-N	0	0	510.037	3.010	50	0		KGAARN
CC(=O)c1ccc(N2CCN(C(=O)c3ccc(Cl)c(NC4=N[C@@H]5CS(=O)(=O)C[C@H]5S4)c3)CC2)cc1	ZINC000002959343	552233104	/nfs/dbraw/zinc/23/31/04/552233104.db2.gz	NZJDUQVWMXODFI-FGZHOGPDSA-N	0	0	533.075	3.185	50	0		KGAARN
CC(=O)c1ccc(N2CCN(C(=O)c3ccc(Cl)c(NC4=N[C@@H]5CS(=O)(=O)C[C@@H]5S4)c3)CC2)cc1	ZINC000002959345	552233087	/nfs/dbraw/zinc/23/30/87/552233087.db2.gz	NZJDUQVWMXODFI-YADHBBJMSA-N	0	0	533.075	3.185	50	0		KGAARN
NS(=O)(=O)c1ccc(CCNC(=O)CSC2=Nc3ccccc3C3=N[C@@H](Cc4c[nH]c5ccccc45)C(=O)N32)cc1	ZINC000002964310	552235382	/nfs/dbraw/zinc/23/53/82/552235382.db2.gz	WVYHQFNJBSOEPD-VWLOTQADSA-N	0	0	586.699	3.109	50	0		KGAARN
NS(=O)(=O)c1ccc(CCNC(=O)CSC2=Nc3ccccc3C3=N[C@H](Cc4c[nH]c5ccccc45)C(=O)N32)cc1	ZINC000002964312	552235350	/nfs/dbraw/zinc/23/53/50/552235350.db2.gz	WVYHQFNJBSOEPD-RUZDIDTESA-N	0	0	586.699	3.109	50	0		KGAARN
CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc[nH]3)c(=O)n2[C@H]1c1cc(OC)ccc1OC	ZINC000002964918	1059016629	/nfs/dbraw/zinc/01/66/29/1059016629.db2.gz	KGJZYQYYNCNTRK-GMPUOFRTSA-N	0	0	515.591	3.281	50	0		KGAARN
CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc[nH]3)c(=O)n2[C@@H]1c1cc(OC)ccc1OC	ZINC000002964922	1059016680	/nfs/dbraw/zinc/01/66/80/1059016680.db2.gz	KGJZYQYYNCNTRK-BQKWAYIGSA-N	0	0	515.591	3.281	50	0		KGAARN
COC(=O)c1ccccc1NC(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(NC(C)=O)cc1	ZINC000002965056	552235877	/nfs/dbraw/zinc/23/58/77/552235877.db2.gz	IMQXTWJKIAPWHB-UHFFFAOYSA-N	0	0	511.556	3.274	50	0		KGAARN
CCCCNC(=O)CC[C@@H]1N=C2c3ccccc3N=C(SCc3cc(=O)n4ccccc4n3)N2C1=O	ZINC000002967025	552236148	/nfs/dbraw/zinc/23/61/48/552236148.db2.gz	CDOLXVHYGBPRLP-FQEVSTJZSA-N	0	0	502.600	3.283	50	0		KGAARN
CCCCNC(=O)CC[C@H]1N=C2c3ccccc3N=C(SCc3cc(=O)n4ccccc4n3)N2C1=O	ZINC000002967028	552236080	/nfs/dbraw/zinc/23/60/80/552236080.db2.gz	CDOLXVHYGBPRLP-HXUWFJFHSA-N	0	0	502.600	3.283	50	0		KGAARN
O=C(CC[C@@H]1N=C2c3ccccc3N=C(SCC(=O)NCc3ccco3)N2C1=O)NCc1ccccc1	ZINC000002967079	552236125	/nfs/dbraw/zinc/23/61/25/552236125.db2.gz	MDPOHQMIHCQUNR-QFIPXVFZSA-N	0	0	515.595	3.384	50	0		KGAARN
O=C(CC[C@H]1N=C2c3ccccc3N=C(SCC(=O)NCc3ccco3)N2C1=O)NCc1ccccc1	ZINC000002967082	552236119	/nfs/dbraw/zinc/23/61/19/552236119.db2.gz	MDPOHQMIHCQUNR-JOCHJYFZSA-N	0	0	515.595	3.384	50	0		KGAARN
Cc1cc(NC(=O)CSC2=Nc3ccccc3C3=N[C@@H](CCC(=O)NCc4ccccc4)C(=O)N32)n[nH]1	ZINC000002967103	552236394	/nfs/dbraw/zinc/23/63/94/552236394.db2.gz	SJBFNDSAHMJZFM-FQEVSTJZSA-N	0	0	515.599	3.145	50	0		KGAARN
Cc1cc(NC(=O)CSC2=Nc3ccccc3C3=N[C@H](CCC(=O)NCc4ccccc4)C(=O)N32)n[nH]1	ZINC000002967106	552236397	/nfs/dbraw/zinc/23/63/97/552236397.db2.gz	SJBFNDSAHMJZFM-HXUWFJFHSA-N	0	0	515.599	3.145	50	0		KGAARN
O=C(CC[C@@H]1N=C2c3ccccc3N=C(SCc3cc(=O)n4ccccc4n3)N2C1=O)NCc1ccc2c(c1)OCO2	ZINC000002967185	552236583	/nfs/dbraw/zinc/23/65/83/552236583.db2.gz	ZOZLKANALHLBIM-QFIPXVFZSA-N	0	0	580.626	3.412	50	0		KGAARN
O=C(CC[C@H]1N=C2c3ccccc3N=C(SCc3cc(=O)n4ccccc4n3)N2C1=O)NCc1ccc2c(c1)OCO2	ZINC000002967187	552236578	/nfs/dbraw/zinc/23/65/78/552236578.db2.gz	ZOZLKANALHLBIM-JOCHJYFZSA-N	0	0	580.626	3.412	50	0		KGAARN
Cc1cc(NC(=O)CSC2=Nc3ccccc3C3=N[C@@H](CCC(=O)NCc4ccc(F)cc4)C(=O)N32)n[nH]1	ZINC000002967251	552236890	/nfs/dbraw/zinc/23/68/90/552236890.db2.gz	IXYAXAQXGSFNHH-FQEVSTJZSA-N	0	0	533.589	3.284	50	0		KGAARN
Cc1cc(NC(=O)CSC2=Nc3ccccc3C3=N[C@H](CCC(=O)NCc4ccc(F)cc4)C(=O)N32)n[nH]1	ZINC000002967252	552236904	/nfs/dbraw/zinc/23/69/04/552236904.db2.gz	IXYAXAQXGSFNHH-HXUWFJFHSA-N	0	0	533.589	3.284	50	0		KGAARN
COc1ccc(CNC(=O)CC[C@@H]2N=C3c4ccccc4N=C(SCC(=O)Nc4cc(C)[nH]n4)N3C2=O)cc1	ZINC000002967308	552237053	/nfs/dbraw/zinc/23/70/53/552237053.db2.gz	UTLHNJLSZXMZEO-NRFANRHFSA-N	0	0	545.625	3.154	50	0		KGAARN
COc1ccc(CNC(=O)CC[C@H]2N=C3c4ccccc4N=C(SCC(=O)Nc4cc(C)[nH]n4)N3C2=O)cc1	ZINC000002967312	552237069	/nfs/dbraw/zinc/23/70/69/552237069.db2.gz	UTLHNJLSZXMZEO-OAQYLSRUSA-N	0	0	545.625	3.154	50	0		KGAARN
COc1ccccc1CNC(=O)CC[C@@H]1N=C2c3ccccc3N=C(SCC(=O)Nc3cc(C)[nH]n3)N2C1=O	ZINC000002967361	552237058	/nfs/dbraw/zinc/23/70/58/552237058.db2.gz	CJKQNMZVFZDLJP-FQEVSTJZSA-N	0	0	545.625	3.154	50	0		KGAARN
COc1ccccc1CNC(=O)CC[C@H]1N=C2c3ccccc3N=C(SCC(=O)Nc3cc(C)[nH]n3)N2C1=O	ZINC000002967363	552237100	/nfs/dbraw/zinc/23/71/00/552237100.db2.gz	CJKQNMZVFZDLJP-HXUWFJFHSA-N	0	0	545.625	3.154	50	0		KGAARN
Cc1cc(NC(=O)CSC2=Nc3ccccc3C3=N[C@@H](CCC(=O)NCCc4ccccc4)C(=O)N32)n[nH]1	ZINC000002967410	552237264	/nfs/dbraw/zinc/23/72/64/552237264.db2.gz	VAMSDRRXJXQGGJ-NRFANRHFSA-N	0	0	529.626	3.188	50	0		KGAARN
Cc1cc(NC(=O)CSC2=Nc3ccccc3C3=N[C@H](CCC(=O)NCCc4ccccc4)C(=O)N32)n[nH]1	ZINC000002967414	552237206	/nfs/dbraw/zinc/23/72/06/552237206.db2.gz	VAMSDRRXJXQGGJ-OAQYLSRUSA-N	0	0	529.626	3.188	50	0		KGAARN
O=C(CC[C@@H]1N=C2c3ccccc3N=C(SCc3cc(=O)n4ccccc4n3)N2C1=O)NCc1ccco1	ZINC000002967580	552237725	/nfs/dbraw/zinc/23/77/25/552237725.db2.gz	BHOIDWUVNWOAPG-NRFANRHFSA-N	0	0	526.578	3.276	50	0		KGAARN
O=C(CC[C@H]1N=C2c3ccccc3N=C(SCc3cc(=O)n4ccccc4n3)N2C1=O)NCc1ccco1	ZINC000002967582	552237739	/nfs/dbraw/zinc/23/77/39/552237739.db2.gz	BHOIDWUVNWOAPG-OAQYLSRUSA-N	0	0	526.578	3.276	50	0		KGAARN
O=C(CSC1=Nc2ccccc2C2=N[C@@H](CC(=O)NCc3cccs3)C(=O)N21)NCc1ccco1	ZINC000002967711	552238186	/nfs/dbraw/zinc/23/81/86/552238186.db2.gz	HGMFZFQUCFWDTF-IBGZPJMESA-N	0	0	507.597	3.056	50	0		KGAARN
O=C(CSC1=Nc2ccccc2C2=N[C@H](CC(=O)NCc3cccs3)C(=O)N21)NCc1ccco1	ZINC000002967712	552238251	/nfs/dbraw/zinc/23/82/51/552238251.db2.gz	HGMFZFQUCFWDTF-LJQANCHMSA-N	0	0	507.597	3.056	50	0		KGAARN
COc1cccc(NC(=O)CSC2=Nc3ccccc3C3=N[C@@H](CC(=O)NCc4ccco4)C(=O)N32)c1	ZINC000002967860	552238476	/nfs/dbraw/zinc/23/84/76/552238476.db2.gz	QDQUAUJPABUNDS-NRFANRHFSA-N	0	0	517.567	3.325	50	0		KGAARN
COc1cccc(NC(=O)CSC2=Nc3ccccc3C3=N[C@H](CC(=O)NCc4ccco4)C(=O)N32)c1	ZINC000002967861	552238450	/nfs/dbraw/zinc/23/84/50/552238450.db2.gz	QDQUAUJPABUNDS-OAQYLSRUSA-N	0	0	517.567	3.325	50	0		KGAARN
COc1ccccc1NC(=O)CSC1=Nc2ccccc2C2=N[C@@H](CC(=O)NCc3ccco3)C(=O)N21	ZINC000002967867	552238721	/nfs/dbraw/zinc/23/87/21/552238721.db2.gz	RURFDXFRXCQVQH-FQEVSTJZSA-N	0	0	517.567	3.325	50	0		KGAARN
COc1ccccc1NC(=O)CSC1=Nc2ccccc2C2=N[C@H](CC(=O)NCc3ccco3)C(=O)N21	ZINC000002967869	552238724	/nfs/dbraw/zinc/23/87/24/552238724.db2.gz	RURFDXFRXCQVQH-HXUWFJFHSA-N	0	0	517.567	3.325	50	0		KGAARN
COc1ccc(OC)c(NC(=O)CSC2=Nc3ccccc3C3=N[C@@H](CC(=O)NCc4ccco4)C(=O)N32)c1	ZINC000002967878	552238731	/nfs/dbraw/zinc/23/87/31/552238731.db2.gz	CQJDJVRDSHIAOE-NRFANRHFSA-N	0	0	547.593	3.334	50	0		KGAARN
COc1ccc(OC)c(NC(=O)CSC2=Nc3ccccc3C3=N[C@H](CC(=O)NCc4ccco4)C(=O)N32)c1	ZINC000002967880	552238635	/nfs/dbraw/zinc/23/86/35/552238635.db2.gz	CQJDJVRDSHIAOE-OAQYLSRUSA-N	0	0	547.593	3.334	50	0		KGAARN
COc1ccc(NC(=O)CSC2=Nc3ccccc3C3=N[C@@H](CC(=O)NCc4ccco4)C(=O)N32)cc1	ZINC000002967893	552238680	/nfs/dbraw/zinc/23/86/80/552238680.db2.gz	HFLUVESPGJEHCM-NRFANRHFSA-N	0	0	517.567	3.325	50	0		KGAARN
COc1ccc(NC(=O)CSC2=Nc3ccccc3C3=N[C@H](CC(=O)NCc4ccco4)C(=O)N32)cc1	ZINC000002967895	552238656	/nfs/dbraw/zinc/23/86/56/552238656.db2.gz	HFLUVESPGJEHCM-OAQYLSRUSA-N	0	0	517.567	3.325	50	0		KGAARN
O=C(C[C@@H]1N=C2c3ccccc3N=C(SCC(=O)Nc3ccc(F)cc3)N2C1=O)NCc1ccco1	ZINC000002967897	552238787	/nfs/dbraw/zinc/23/87/87/552238787.db2.gz	YOWMERDYQUAMKO-FQEVSTJZSA-N	0	0	505.531	3.456	50	0		KGAARN
O=C(C[C@H]1N=C2c3ccccc3N=C(SCC(=O)Nc3ccc(F)cc3)N2C1=O)NCc1ccco1	ZINC000002967898	552238675	/nfs/dbraw/zinc/23/86/75/552238675.db2.gz	YOWMERDYQUAMKO-HXUWFJFHSA-N	0	0	505.531	3.456	50	0		KGAARN
O=C(C[C@@H]1N=C2c3ccccc3N=C(SCc3cc(=O)n4ccccc4n3)N2C1=O)NC1CCCCC1	ZINC000002967986	552239013	/nfs/dbraw/zinc/23/90/13/552239013.db2.gz	XVYFPMQDANRMPE-NRFANRHFSA-N	0	0	514.611	3.425	50	0		KGAARN
O=C(C[C@H]1N=C2c3ccccc3N=C(SCc3cc(=O)n4ccccc4n3)N2C1=O)NC1CCCCC1	ZINC000002967987	552239085	/nfs/dbraw/zinc/23/90/85/552239085.db2.gz	XVYFPMQDANRMPE-OAQYLSRUSA-N	0	0	514.611	3.425	50	0		KGAARN
O=C(CSC1=Nc2ccccc2C2=N[C@@H](CC(=O)NCc3ccccc3)C(=O)N21)NCc1ccccc1	ZINC000002968111	552239336	/nfs/dbraw/zinc/23/93/36/552239336.db2.gz	FWZBNJVAXMTZQT-QHCPKHFHSA-N	0	0	511.607	3.401	50	0		KGAARN
O=C(CSC1=Nc2ccccc2C2=N[C@H](CC(=O)NCc3ccccc3)C(=O)N21)NCc1ccccc1	ZINC000002968114	552239330	/nfs/dbraw/zinc/23/93/30/552239330.db2.gz	FWZBNJVAXMTZQT-HSZRJFAPSA-N	0	0	511.607	3.401	50	0		KGAARN
O=C(CSC1=Nc2ccccc2C2=N[C@@H](CC(=O)NCc3ccccc3)C(=O)N21)NCCc1ccccc1	ZINC000002968142	552239224	/nfs/dbraw/zinc/23/92/24/552239224.db2.gz	WOSCPRYSFGJXIQ-DEOSSOPVSA-N	0	0	525.634	3.444	50	0		KGAARN
O=C(CSC1=Nc2ccccc2C2=N[C@H](CC(=O)NCc3ccccc3)C(=O)N21)NCCc1ccccc1	ZINC000002968145	552239259	/nfs/dbraw/zinc/23/92/59/552239259.db2.gz	WOSCPRYSFGJXIQ-XMMPIXPASA-N	0	0	525.634	3.444	50	0		KGAARN
O=C(CSC1=Nc2ccccc2C2=N[C@@H](CC(=O)NCc3ccc(F)cc3)C(=O)N21)NCc1ccco1	ZINC000002968279	552239804	/nfs/dbraw/zinc/23/98/04/552239804.db2.gz	LTGRRHCFFBAJAN-NRFANRHFSA-N	0	0	519.558	3.133	50	0		KGAARN
O=C(CSC1=Nc2ccccc2C2=N[C@H](CC(=O)NCc3ccc(F)cc3)C(=O)N21)NCc1ccco1	ZINC000002968280	552239814	/nfs/dbraw/zinc/23/98/14/552239814.db2.gz	LTGRRHCFFBAJAN-OAQYLSRUSA-N	0	0	519.558	3.133	50	0		KGAARN
O=C(C[C@@H]1N=C2c3ccccc3N=C(SCc3cc(=O)n4ccccc4n3)N2C1=O)NCc1ccc(F)cc1	ZINC000002968299	552239869	/nfs/dbraw/zinc/23/98/69/552239869.db2.gz	KDFMQUCWNUUCHU-QFIPXVFZSA-N	0	0	540.580	3.432	50	0		KGAARN
O=C(C[C@H]1N=C2c3ccccc3N=C(SCc3cc(=O)n4ccccc4n3)N2C1=O)NCc1ccc(F)cc1	ZINC000002968302	552239823	/nfs/dbraw/zinc/23/98/23/552239823.db2.gz	KDFMQUCWNUUCHU-JOCHJYFZSA-N	0	0	540.580	3.432	50	0		KGAARN
COc1ccc(CNC(=O)C[C@@H]2N=C3c4ccccc4N=C(SCC(=O)NCc4ccco4)N3C2=O)cc1	ZINC000002968397	552240370	/nfs/dbraw/zinc/24/03/70/552240370.db2.gz	NIGTXCYPIWTWJN-QFIPXVFZSA-N	0	0	531.594	3.003	50	0		KGAARN
COc1ccc(CNC(=O)C[C@H]2N=C3c4ccccc4N=C(SCC(=O)NCc4ccco4)N3C2=O)cc1	ZINC000002968400	552240442	/nfs/dbraw/zinc/24/04/42/552240442.db2.gz	NIGTXCYPIWTWJN-JOCHJYFZSA-N	0	0	531.594	3.003	50	0		KGAARN
COc1ccc(CNC(=O)C[C@@H]2N=C3c4ccccc4N=C(SCc4cc(=O)n5ccccc5n4)N3C2=O)cc1	ZINC000002968422	552240460	/nfs/dbraw/zinc/24/04/60/552240460.db2.gz	SPSQNUBLCUOKIU-QHCPKHFHSA-N	0	0	552.616	3.302	50	0		KGAARN
COc1ccc(CNC(=O)C[C@H]2N=C3c4ccccc4N=C(SCc4cc(=O)n5ccccc5n4)N3C2=O)cc1	ZINC000002968423	552240351	/nfs/dbraw/zinc/24/03/51/552240351.db2.gz	SPSQNUBLCUOKIU-HSZRJFAPSA-N	0	0	552.616	3.302	50	0		KGAARN
COc1ccccc1CNC(=O)C[C@@H]1N=C2c3ccccc3N=C(SCC(=O)NCc3ccco3)N2C1=O	ZINC000002968489	552240908	/nfs/dbraw/zinc/24/09/08/552240908.db2.gz	HPDXZIIWHCZAAR-NRFANRHFSA-N	0	0	531.594	3.003	50	0		KGAARN
COc1ccccc1CNC(=O)C[C@H]1N=C2c3ccccc3N=C(SCC(=O)NCc3ccco3)N2C1=O	ZINC000002968490	552240764	/nfs/dbraw/zinc/24/07/64/552240764.db2.gz	HPDXZIIWHCZAAR-OAQYLSRUSA-N	0	0	531.594	3.003	50	0		KGAARN
COc1ccccc1CNC(=O)C[C@@H]1N=C2c3ccccc3N=C(SCc3cc(=O)n4ccccc4n3)N2C1=O	ZINC000002968511	552241068	/nfs/dbraw/zinc/24/10/68/552241068.db2.gz	VLPPQRJDMMLCRB-QFIPXVFZSA-N	0	0	552.616	3.302	50	0		KGAARN
COc1ccccc1CNC(=O)C[C@H]1N=C2c3ccccc3N=C(SCc3cc(=O)n4ccccc4n3)N2C1=O	ZINC000002968513	552241122	/nfs/dbraw/zinc/24/11/22/552241122.db2.gz	VLPPQRJDMMLCRB-JOCHJYFZSA-N	0	0	552.616	3.302	50	0		KGAARN
CC[C@@H](C)NC(=O)CSC1=Nc2ccccc2C2=N[C@@H](CC(=O)NCc3ccccc3OC)C(=O)N21	ZINC000002968515	552241078	/nfs/dbraw/zinc/24/10/78/552241078.db2.gz	NCJHRQWPIYJBIT-UZLBHIALSA-N	0	0	507.616	3.008	50	0		KGAARN
CC[C@H](C)NC(=O)CSC1=Nc2ccccc2C2=N[C@@H](CC(=O)NCc3ccccc3OC)C(=O)N21	ZINC000002968517	552241152	/nfs/dbraw/zinc/24/11/52/552241152.db2.gz	NCJHRQWPIYJBIT-JXFKEZNVSA-N	0	0	507.616	3.008	50	0		KGAARN
CC[C@@H](C)NC(=O)CSC1=Nc2ccccc2C2=N[C@H](CC(=O)NCc3ccccc3OC)C(=O)N21	ZINC000002968519	552241117	/nfs/dbraw/zinc/24/11/17/552241117.db2.gz	NCJHRQWPIYJBIT-OXQOHEQNSA-N	0	0	507.616	3.008	50	0		KGAARN
CC[C@H](C)NC(=O)CSC1=Nc2ccccc2C2=N[C@H](CC(=O)NCc3ccccc3OC)C(=O)N21	ZINC000002968521	552241063	/nfs/dbraw/zinc/24/10/63/552241063.db2.gz	NCJHRQWPIYJBIT-OXJNMPFZSA-N	0	0	507.616	3.008	50	0		KGAARN
COc1cccc(NC(=O)CSC2=Nc3ccccc3C3=N[C@@H](CC(=O)NCc4ccc5c(c4)OCO5)C(=O)N32)c1	ZINC000002968597	552241465	/nfs/dbraw/zinc/24/14/65/552241465.db2.gz	GAGLCVGNZGLPTE-QFIPXVFZSA-N	0	0	571.615	3.461	50	0		KGAARN
COc1cccc(NC(=O)CSC2=Nc3ccccc3C3=N[C@H](CC(=O)NCc4ccc5c(c4)OCO5)C(=O)N32)c1	ZINC000002968599	552241392	/nfs/dbraw/zinc/24/13/92/552241392.db2.gz	GAGLCVGNZGLPTE-JOCHJYFZSA-N	0	0	571.615	3.461	50	0		KGAARN
COc1ccccc1NC(=O)CSC1=Nc2ccccc2C2=N[C@@H](CC(=O)NCc3ccc4c(c3)OCO4)C(=O)N21	ZINC000002968605	552241552	/nfs/dbraw/zinc/24/15/52/552241552.db2.gz	QRWVIQMJGSVTAH-NRFANRHFSA-N	0	0	571.615	3.461	50	0		KGAARN
COc1ccccc1NC(=O)CSC1=Nc2ccccc2C2=N[C@H](CC(=O)NCc3ccc4c(c3)OCO4)C(=O)N21	ZINC000002968607	552241566	/nfs/dbraw/zinc/24/15/66/552241566.db2.gz	QRWVIQMJGSVTAH-OAQYLSRUSA-N	0	0	571.615	3.461	50	0		KGAARN
O=C(C[C@@H]1N=C2c3ccccc3N=C(SCc3cc(=O)n4ccccc4n3)N2C1=O)NCc1ccc2c(c1)OCO2	ZINC000002968615	552241507	/nfs/dbraw/zinc/24/15/07/552241507.db2.gz	PQODZPJFPLSOKC-NRFANRHFSA-N	0	0	566.599	3.022	50	0		KGAARN
O=C(C[C@H]1N=C2c3ccccc3N=C(SCc3cc(=O)n4ccccc4n3)N2C1=O)NCc1ccc2c(c1)OCO2	ZINC000002968617	552241559	/nfs/dbraw/zinc/24/15/59/552241559.db2.gz	PQODZPJFPLSOKC-OAQYLSRUSA-N	0	0	566.599	3.022	50	0		KGAARN
COc1ccc(NC(=O)CSC2=Nc3ccccc3C3=N[C@@H](CC(=O)NCc4ccc5c(c4)OCO5)C(=O)N32)cc1	ZINC000002968632	552241738	/nfs/dbraw/zinc/24/17/38/552241738.db2.gz	RFPGYOFVOQDLBB-QFIPXVFZSA-N	0	0	571.615	3.461	50	0		KGAARN
COc1ccc(NC(=O)CSC2=Nc3ccccc3C3=N[C@H](CC(=O)NCc4ccc5c(c4)OCO5)C(=O)N32)cc1	ZINC000002968633	552241691	/nfs/dbraw/zinc/24/16/91/552241691.db2.gz	RFPGYOFVOQDLBB-JOCHJYFZSA-N	0	0	571.615	3.461	50	0		KGAARN
O=C(CSC1=Nc2ccccc2C2=N[C@@H](CC(=O)NCCc3ccccc3)C(=O)N21)NCc1ccccc1	ZINC000002968692	552242053	/nfs/dbraw/zinc/24/20/53/552242053.db2.gz	SHFGDQLIEFEJGR-DEOSSOPVSA-N	0	0	525.634	3.444	50	0		KGAARN
O=C(CSC1=Nc2ccccc2C2=N[C@H](CC(=O)NCCc3ccccc3)C(=O)N21)NCc1ccccc1	ZINC000002968693	552242105	/nfs/dbraw/zinc/24/21/05/552242105.db2.gz	SHFGDQLIEFEJGR-XMMPIXPASA-N	0	0	525.634	3.444	50	0		KGAARN
O=C(CSC1=Nc2ccccc2C2=N[C@@H](CC(=O)NCCc3ccccc3)C(=O)N21)NCc1ccco1	ZINC000002968698	552242132	/nfs/dbraw/zinc/24/21/32/552242132.db2.gz	JQZRUQOLYDQCRF-QFIPXVFZSA-N	0	0	515.595	3.037	50	0		KGAARN
O=C(CSC1=Nc2ccccc2C2=N[C@H](CC(=O)NCCc3ccccc3)C(=O)N21)NCc1ccco1	ZINC000002968700	552242092	/nfs/dbraw/zinc/24/20/92/552242092.db2.gz	JQZRUQOLYDQCRF-JOCHJYFZSA-N	0	0	515.595	3.037	50	0		KGAARN
COC(=O)c1ccc2c(c1)nc(SCC(=O)c1ccccc1)n(CCc1ccc(S(N)(=O)=O)cc1)c2=O	ZINC000002970472	552243444	/nfs/dbraw/zinc/24/34/44/552243444.db2.gz	CTMDDYOOBMPKOY-UHFFFAOYSA-N	0	0	537.619	3.048	50	0		KGAARN
COC(=O)c1ccc2c(c1)nc(SCc1cc(F)cc3c1OCOC3)n(CCc1ccc(S(N)(=O)=O)cc1)c2=O	ZINC000002970489	552243540	/nfs/dbraw/zinc/24/35/40/552243540.db2.gz	LWCMABJOTSACDE-UHFFFAOYSA-N	0	0	585.635	3.371	50	0		KGAARN
CCc1ccc(NC(=O)CSc2nc3cc(C(=O)OC)ccc3c(=O)n2CCc2ccc(S(N)(=O)=O)cc2)cc1	ZINC000002970798	552243731	/nfs/dbraw/zinc/24/37/31/552243731.db2.gz	QFODTBYNLNMDRD-UHFFFAOYSA-N	0	0	580.688	3.366	50	0		KGAARN
COc1cccc(NC(=O)CSc2nc3ccccc3c(=O)n2CCc2ccc(S(N)(=O)=O)cc2)c1	ZINC000002970992	552243779	/nfs/dbraw/zinc/24/37/79/552243779.db2.gz	WPBBIHFMNZELDN-UHFFFAOYSA-N	0	0	524.624	3.026	50	0		KGAARN
Cc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2CCc2ccc(S(N)(=O)=O)cc2)cc1	ZINC000002970998	552243755	/nfs/dbraw/zinc/24/37/55/552243755.db2.gz	ZVUZLXVQTQRKFZ-UHFFFAOYSA-N	0	0	508.625	3.326	50	0		KGAARN
COc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2CCc2ccc(S(N)(=O)=O)cc2)c(OC)c1	ZINC000002970999	552243741	/nfs/dbraw/zinc/24/37/41/552243741.db2.gz	RKKAWSDNKBVURP-UHFFFAOYSA-N	0	0	554.650	3.035	50	0		KGAARN
COC(=O)c1ccc2c(c1)nc(SCC(=O)Nc1cc(C)on1)n(CCc1ccc(OC)c(OC)c1)c2=O	ZINC000002971097	552244063	/nfs/dbraw/zinc/24/40/63/552244063.db2.gz	QEQDDTRSMUGDBJ-UHFFFAOYSA-N	0	0	538.582	3.470	50	0		KGAARN
COC(=O)c1ccc2c(c1)nc(SCC(=O)Nc1ccc(C)cc1)n(CCc1ccc(S(N)(=O)=O)cc1)c2=O	ZINC000002971126	552244032	/nfs/dbraw/zinc/24/40/32/552244032.db2.gz	JSZQIELNWSSQPD-UHFFFAOYSA-N	0	0	566.661	3.112	50	0		KGAARN
COC(=O)c1ccc2c(c1)nc(SCC(=O)Nc1ccccc1Cl)n(CCc1ccc(S(N)(=O)=O)cc1)c2=O	ZINC000002971131	552244017	/nfs/dbraw/zinc/24/40/17/552244017.db2.gz	ULAJVERWSKDZGX-UHFFFAOYSA-N	0	0	587.079	3.457	50	0		KGAARN
CCOC(=O)CSc1nc2cc(C(=O)N3CCC4(CC3)OCCO4)ccc2c(=O)n1Cc1ccccc1OC	ZINC000002971133	552244210	/nfs/dbraw/zinc/24/42/10/552244210.db2.gz	MFTBBJFSQFYBHN-UHFFFAOYSA-N	0	0	553.637	3.088	50	0		KGAARN
COc1ccc(OC)c(NC(=O)CSc2nc3ccccc3c(=O)n2NC(=O)Cc2ccccc2)c1	ZINC000002971488	552244574	/nfs/dbraw/zinc/24/45/74/552244574.db2.gz	QRKSPZMTTYBEGE-UHFFFAOYSA-N	0	0	504.568	3.457	50	0		KGAARN
O=C(CCCn1c(=O)c2ccccc2nc1SCc1cc(=O)n2ccccc2n1)NCc1ccco1	ZINC000002973483	552245224	/nfs/dbraw/zinc/24/52/24/552245224.db2.gz	MFYQLNRWCOIRHE-UHFFFAOYSA-N	0	0	501.568	3.386	50	0		KGAARN
COc1ccc(CCNC(=O)CCn2c(SCc3cc(=O)n4ccccc4n3)nc3ccccc3c2=O)cc1OC	ZINC000002973613	552245134	/nfs/dbraw/zinc/24/51/34/552245134.db2.gz	HEBVNBWAQNWOHK-UHFFFAOYSA-N	0	0	571.659	3.463	50	0		KGAARN
COCCNC(=O)c1ccc(Cn2c(=O)c3cc(Br)ccc3nc2SCC(=O)Nc2cc(C)[nH]n2)cc1	ZINC000002973909	552245675	/nfs/dbraw/zinc/24/56/75/552245675.db2.gz	UVTGQYIENMOSIZ-UHFFFAOYSA-N	0	0	585.484	3.346	50	0		KGAARN
COCCNC(=O)c1ccc2c(c1)nc(SCC(=O)Nc1ccc(C)cc1)n(Cc1ccco1)c2=O	ZINC000002973921	552245727	/nfs/dbraw/zinc/24/57/27/552245727.db2.gz	WWUSWFYKQWNUKP-UHFFFAOYSA-N	0	0	506.584	3.453	50	0		KGAARN
Cc1cc(NC(=O)CSc2nc3cc(C(=O)NCc4ccco4)ccc3c(=O)n2Cc2ccco2)n[nH]1	ZINC000002973931	552245695	/nfs/dbraw/zinc/24/56/95/552245695.db2.gz	AHHBPEDMNBYXPF-UHFFFAOYSA-N	0	0	518.555	3.323	50	0		KGAARN
NC(=O)C1CCN(C(=O)c2ccc3c(c2)nc(SCC(=O)c2ccccc2)n(Cc2ccco2)c3=O)CC1	ZINC000002973993	552245934	/nfs/dbraw/zinc/24/59/34/552245934.db2.gz	VMTSXKUXPNKNPQ-UHFFFAOYSA-N	0	0	530.606	3.350	50	0		KGAARN
NC(=O)C1CCN(C(=O)c2ccc3c(c2)nc(SCC(=O)c2ccc(F)cc2)n(Cc2ccco2)c3=O)CC1	ZINC000002973999	552245932	/nfs/dbraw/zinc/24/59/32/552245932.db2.gz	LKKVZZOQGCDSHQ-UHFFFAOYSA-N	0	0	548.596	3.489	50	0		KGAARN
COc1ccc(CCNC(=O)CSc2nc3cc4c(cc3c(=O)n2Cc2ccco2)OCO4)cc1OC	ZINC000002974142	552246190	/nfs/dbraw/zinc/24/61/90/552246190.db2.gz	ZKDSJDCOIHIHNN-UHFFFAOYSA-N	0	0	523.567	3.235	50	0		KGAARN
NS(=O)(=O)c1ccc(CCNC(=O)CSc2nc3cc4c(cc3c(=O)n2CCC2=CCCCC2)OCO4)cc1	ZINC000002974264	552246409	/nfs/dbraw/zinc/24/64/09/552246409.db2.gz	AQVIERBFNDUVJO-UHFFFAOYSA-N	0	0	570.693	3.114	50	0		KGAARN
COc1ccc(NC(=O)CSc2nc3cc4c(cc3c(=O)n2CCC(=O)NCc2ccc3c(c2)OCO3)OCO4)cc1	ZINC000002975588	552247225	/nfs/dbraw/zinc/24/72/25/552247225.db2.gz	NHUDJWIPVFITEF-UHFFFAOYSA-N	0	0	590.614	3.300	50	0		KGAARN
COc1cccc(NC(=O)CSc2nc3cc4c(cc3c(=O)n2CCC(=O)NCc2ccc3c(c2)OCO3)OCO4)c1	ZINC000002975589	552247215	/nfs/dbraw/zinc/24/72/15/552247215.db2.gz	BMFINRQEMHINJK-UHFFFAOYSA-N	0	0	590.614	3.300	50	0		KGAARN
O=C(CCn1c(=O)c2cc3c(cc2nc1SCC(=O)Nc1ccc(F)cc1)OCO3)NCc1ccc2c(c1)OCO2	ZINC000002975591	552247220	/nfs/dbraw/zinc/24/72/20/552247220.db2.gz	HBGZVMBVCUJPFL-UHFFFAOYSA-N	0	0	578.578	3.430	50	0		KGAARN
O=C(CCCn1c(=O)c2cc3c(cc2nc1SCc1cc(=O)n2ccccc2n1)OCO3)NCc1ccc2c(c1)OCO2	ZINC000002975643	552247421	/nfs/dbraw/zinc/24/74/21/552247421.db2.gz	ZAIZXSWVODKWBD-UHFFFAOYSA-N	0	0	599.625	3.251	50	0		KGAARN
COc1cc2nc(SCC(=O)N3CCCc4ccccc43)n(CCc3ccc(S(N)(=O)=O)cc3)c(=O)c2cc1OC	ZINC000002975715	552247705	/nfs/dbraw/zinc/24/77/05/552247705.db2.gz	QSVPBUUBOIIVKU-UHFFFAOYSA-N	0	0	594.715	3.375	50	0		KGAARN
COc1cc2nc(SCC(=O)Nc3ccc(F)cc3)n(CCc3ccc(S(N)(=O)=O)cc3)c(=O)c2cc1OC	ZINC000002975717	552247684	/nfs/dbraw/zinc/24/76/84/552247684.db2.gz	PYKBAGCPHARPMI-UHFFFAOYSA-N	0	0	572.640	3.174	50	0		KGAARN
COc1ccc(NC(=O)CSc2nc3cc(OC)c(OC)cc3c(=O)n2CCc2ccc(S(N)(=O)=O)cc2)cc1	ZINC000002975720	552247681	/nfs/dbraw/zinc/24/76/81/552247681.db2.gz	HBWFTJMVGLPPPC-UHFFFAOYSA-N	0	0	584.676	3.043	50	0		KGAARN
O=C(CSc1nc2cc3c(cc2c(=O)n1Cc1ccc2c(c1)OCO2)OCO3)NCCc1ccccc1	ZINC000002975741	552247678	/nfs/dbraw/zinc/24/76/78/552247678.db2.gz	QUHXQXJZPMKKHA-UHFFFAOYSA-N	0	0	517.563	3.353	50	0		KGAARN
COc1ccc(Cn2c(=O)c3cc(N4CCOCC4)ccc3nc2SCC(=O)NCc2ccco2)cc1	ZINC000002976133	552248771	/nfs/dbraw/zinc/24/87/71/552248771.db2.gz	LTMRRATUGDENAT-UHFFFAOYSA-N	0	0	520.611	3.292	50	0		KGAARN
CCCCNC(=O)CSc1nc2ccc(N3CCOCC3)cc2c(=O)n1Cc1ccc2c(c1)OCO2	ZINC000002976200	552248735	/nfs/dbraw/zinc/24/87/35/552248735.db2.gz	TZKGDGBBXXIPMJ-UHFFFAOYSA-N	0	0	510.616	3.019	50	0		KGAARN
O=C(CSc1nc2ccc(N3CCOCC3)cc2c(=O)n1Cc1ccc2c(c1)OCO2)NCc1ccco1	ZINC000002976202	552248780	/nfs/dbraw/zinc/24/87/80/552248780.db2.gz	AKKBJWMLNZCPCF-UHFFFAOYSA-N	0	0	534.594	3.012	50	0		KGAARN
O=c1cc(CSc2nc3ccc(N4CCOCC4)cc3c(=O)n2Cc2ccc3c(c2)OCO3)nc2ccccn12	ZINC000002976220	552248988	/nfs/dbraw/zinc/24/89/88/552248988.db2.gz	ZEQVYNUJQNJNDS-UHFFFAOYSA-N	0	0	555.616	3.310	50	0		KGAARN
CC[C@@H](C)NC(=O)CSc1nc2ccc(N3CCOCC3)cc2c(=O)n1Cc1ccc2c(c1)OCO2	ZINC000002976225	552248961	/nfs/dbraw/zinc/24/89/61/552248961.db2.gz	ULOGBIMMRNAHQR-QGZVFWFLSA-N	0	0	510.616	3.017	50	0		KGAARN
CC[C@H](C)NC(=O)CSc1nc2ccc(N3CCOCC3)cc2c(=O)n1Cc1ccc2c(c1)OCO2	ZINC000002976226	552249006	/nfs/dbraw/zinc/24/90/06/552249006.db2.gz	ULOGBIMMRNAHQR-KRWDZBQOSA-N	0	0	510.616	3.017	50	0		KGAARN
O=C(CSc1nc2ccc(N3CCOCC3)cc2c(=O)n1CCc1ccccc1)NCc1ccco1	ZINC000002976296	552249177	/nfs/dbraw/zinc/24/91/77/552249177.db2.gz	HBAWGWWMULJGHR-UHFFFAOYSA-N	0	0	504.612	3.477	50	0		KGAARN
Cc1cc(Cl)ccc1N(CC(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)S(C)(=O)=O	ZINC000002979759	552249738	/nfs/dbraw/zinc/24/97/38/552249738.db2.gz	ZCPYLJFKLMCZHG-UHFFFAOYSA-N	0	0	500.042	3.228	50	0		KGAARN
O=C1c2ccc(S(=O)(=O)c3ccc4c(c3)C(=O)N(c3nccs3)C4=O)cc2C(=O)N1c1nccs1	ZINC000002981399	552250481	/nfs/dbraw/zinc/25/04/81/552250481.db2.gz	FJICAJVICPWUMT-UHFFFAOYSA-N	0	0	522.545	3.034	50	0		KGAARN
COc1ccccc1N1CCN(C(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(C)(=O)=O)CC1	ZINC000002982074	552250426	/nfs/dbraw/zinc/25/04/26/552250426.db2.gz	YYDLGBRRTFCGPE-UHFFFAOYSA-N	0	0	505.946	3.482	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(I)cc3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1	ZINC000002987359	552250649	/nfs/dbraw/zinc/25/06/49/552250649.db2.gz	XKHLSEKHTOPJMC-AFHVAHMMSA-N	0	0	590.439	3.420	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(I)cc3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1	ZINC000002987361	552250682	/nfs/dbraw/zinc/25/06/82/552250682.db2.gz	XKHLSEKHTOPJMC-ZRELAVNMSA-N	0	0	590.439	3.420	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(I)cc3)c(=O)n2[C@H]1c1cc(OC)ccc1OC	ZINC000002987392	552250671	/nfs/dbraw/zinc/25/06/71/552250671.db2.gz	GTBNNVHFPITXBK-AFHVAHMMSA-N	0	0	590.439	3.420	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(I)cc3)c(=O)n2[C@@H]1c1cc(OC)ccc1OC	ZINC000002987394	552250696	/nfs/dbraw/zinc/25/06/96/552250696.db2.gz	GTBNNVHFPITXBK-ZRELAVNMSA-N	0	0	590.439	3.420	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(I)cc3)c(=O)n2[C@H]1c1ccccc1OC	ZINC000002987446	552250938	/nfs/dbraw/zinc/25/09/38/552250938.db2.gz	PPSYNHUFVSZGFP-FNGUVFISSA-N	0	0	560.413	3.412	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(I)cc3)c(=O)n2[C@@H]1c1ccccc1OC	ZINC000002987448	552250962	/nfs/dbraw/zinc/25/09/62/552250962.db2.gz	PPSYNHUFVSZGFP-CNSVBDKNSA-N	0	0	560.413	3.412	50	0		KGAARN
CC(C)CN(CC(C)C)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C(N)=O)CCN(C)C3)cc1	ZINC000003006931	552254309	/nfs/dbraw/zinc/25/43/09/552254309.db2.gz	SQVUIAJCKMKGPK-UHFFFAOYSA-N	0	0	506.694	3.390	50	0		KGAARN
CN1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4CCCc5ccccc54)cc3)c2C(N)=O)C1	ZINC000003006956	552254296	/nfs/dbraw/zinc/25/42/96/552254296.db2.gz	WEDWZGAOQVPPBU-UHFFFAOYSA-N	0	0	510.641	3.229	50	0		KGAARN
CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)sc2c1CCN(CC)C2	ZINC000003007046	552254651	/nfs/dbraw/zinc/25/46/51/552254651.db2.gz	OIBGZFXVUVZNNT-IRXDYDNUSA-N	0	0	535.688	3.353	50	0		KGAARN
CCN1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N(C)C4CCCCC4)cc3)c2C(N)=O)C1	ZINC000003007067	552254663	/nfs/dbraw/zinc/25/46/63/552254663.db2.gz	VHHRDEQYUUWXHH-UHFFFAOYSA-N	0	0	504.678	3.431	50	0		KGAARN
COC(=O)c1c2c(sc1NC(=O)c1ccc(S(=O)(=O)N3C[C@@H](C)O[C@@H](C)C3)cc1)CN(C(C)C)CC2	ZINC000003007137	552255050	/nfs/dbraw/zinc/25/50/50/552255050.db2.gz	DIQJKGKMBVKWCB-CALCHBBNSA-N	0	0	535.688	3.351	50	0		KGAARN
CC(C)N1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4CCCC[C@@H]4C)cc3)c2C(N)=O)C1	ZINC000003007200	552255220	/nfs/dbraw/zinc/25/52/20/552255220.db2.gz	CMCQKRDKHMULBX-INIZCTEOSA-N	0	0	504.678	3.429	50	0		KGAARN
CC(C)N1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4CCC[C@H](C)C4)cc3)c2C(N)=O)C1	ZINC000003007201	552255234	/nfs/dbraw/zinc/25/52/34/552255234.db2.gz	XRSRNVSFHRRJHJ-INIZCTEOSA-N	0	0	504.678	3.286	50	0		KGAARN
CC(C)N1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4CCC(C)CC4)cc3)c2C(N)=O)C1	ZINC000003007202	552255247	/nfs/dbraw/zinc/25/52/47/552255247.db2.gz	DPUSWQAHRLUMKG-UHFFFAOYSA-N	0	0	504.678	3.286	50	0		KGAARN
CC(C)N1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4CCCCCC4)cc3)c2C(N)=O)C1	ZINC000003007211	552255224	/nfs/dbraw/zinc/25/52/24/552255224.db2.gz	KNYDCSRNXHUAGO-UHFFFAOYSA-N	0	0	504.678	3.431	50	0		KGAARN
CCCCN(C)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C(=O)OC)CCN(C(C)=O)C3)cc1	ZINC000003007238	552255215	/nfs/dbraw/zinc/25/52/15/552255215.db2.gz	FCYQWOISJHDBRD-UHFFFAOYSA-N	0	0	507.634	3.112	50	0		KGAARN
COC(=O)c1c2c(sc1NC(=O)c1ccc(S(=O)(=O)N3CCCC[C@@H]3C)cc1)CN(C(C)=O)CC2	ZINC000003007248	552255260	/nfs/dbraw/zinc/25/52/60/552255260.db2.gz	IARRKEZHUKBLFR-HNNXBMFYSA-N	0	0	519.645	3.255	50	0		KGAARN
COC(=O)c1c2c(sc1NC(=O)c1ccc(S(=O)(=O)N3CCCC[C@H]3C)cc1)CN(C(C)=O)CC2	ZINC000003007249	552255285	/nfs/dbraw/zinc/25/52/85/552255285.db2.gz	IARRKEZHUKBLFR-OAHLLOKOSA-N	0	0	519.645	3.255	50	0		KGAARN
COC(=O)c1c2c(sc1NC(=O)c1ccc(S(=O)(=O)N3CCC[C@H](C)C3)cc1)CN(C(C)=O)CC2	ZINC000003007250	552255217	/nfs/dbraw/zinc/25/52/17/552255217.db2.gz	YAWHICNNXKDAAZ-HNNXBMFYSA-N	0	0	519.645	3.112	50	0		KGAARN
COC(=O)c1c2c(sc1NC(=O)c1ccc(S(=O)(=O)N3CCC[C@@H](C)C3)cc1)CN(C(C)=O)CC2	ZINC000003007251	552255288	/nfs/dbraw/zinc/25/52/88/552255288.db2.gz	YAWHICNNXKDAAZ-OAHLLOKOSA-N	0	0	519.645	3.112	50	0		KGAARN
COC(=O)c1c2c(sc1NC(=O)c1ccc(S(=O)(=O)N3CCC(C)CC3)cc1)CN(C(C)=O)CC2	ZINC000003007252	552255209	/nfs/dbraw/zinc/25/52/09/552255209.db2.gz	PJJSEDUDALSERN-UHFFFAOYSA-N	0	0	519.645	3.112	50	0		KGAARN
COC(=O)c1c2c(sc1NC(=O)c1ccc(S(=O)(=O)N3C[C@H](C)C[C@H](C)C3)cc1)CN(C(C)=O)CC2	ZINC000003007253	552255243	/nfs/dbraw/zinc/25/52/43/552255243.db2.gz	IXTKEPZPTGWHGV-IYBDPMFKSA-N	0	0	533.672	3.358	50	0		KGAARN
COC(=O)c1c2c(sc1NC(=O)c1ccc(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)cc1)CN(C(C)=O)CC2	ZINC000003007254	552255216	/nfs/dbraw/zinc/25/52/16/552255216.db2.gz	IXTKEPZPTGWHGV-HZPDHXFCSA-N	0	0	533.672	3.358	50	0		KGAARN
COC(=O)c1c2c(sc1NC(=O)c1ccc(S(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)cc1)CN(C(C)=O)CC2	ZINC000003007255	552255267	/nfs/dbraw/zinc/25/52/67/552255267.db2.gz	IXTKEPZPTGWHGV-HOTGVXAUSA-N	0	0	533.672	3.358	50	0		KGAARN
COC(=O)c1c2c(sc1NC(=O)c1ccc(S(=O)(=O)N3CCCCCC3)cc1)CN(C(C)=O)CC2	ZINC000003007263	552255526	/nfs/dbraw/zinc/25/55/26/552255526.db2.gz	WJURPLIMTRVNJX-UHFFFAOYSA-N	0	0	519.645	3.256	50	0		KGAARN
CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N(CC)CC)cc2)sc2c1CCN(C(C)=O)C2	ZINC000003007265	552255547	/nfs/dbraw/zinc/25/55/47/552255547.db2.gz	NOLCYFWYZDLOLR-UHFFFAOYSA-N	0	0	507.634	3.112	50	0		KGAARN
CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)sc2c1CCN(C(C)=O)C2	ZINC000003007270	552255561	/nfs/dbraw/zinc/25/55/61/552255561.db2.gz	PIEJIOSCCHJVQE-UHFFFAOYSA-N	0	0	519.645	3.256	50	0		KGAARN
CC(=O)N1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N(CC(C)C)CC(C)C)cc3)c2C(N)=O)C1	ZINC000003007292	552255544	/nfs/dbraw/zinc/25/55/44/552255544.db2.gz	VTWAMPCCZFELDB-UHFFFAOYSA-N	0	0	534.704	3.307	50	0		KGAARN
CC(=O)N1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4CCCc5ccccc54)cc3)c2C(N)=O)C1	ZINC000003007316	552255720	/nfs/dbraw/zinc/25/57/20/552255720.db2.gz	LYHPWCAWINCRKY-UHFFFAOYSA-N	0	0	538.651	3.145	50	0		KGAARN
Cc1ccccc1-n1nc2c(c1NC(=O)c1ccc(S(=O)(=O)N3CCCCC3)cc1)CS(=O)(=O)C2	ZINC000003008512	552255971	/nfs/dbraw/zinc/25/59/71/552255971.db2.gz	QYPWILJNBCRLRP-UHFFFAOYSA-N	0	0	514.629	3.036	50	0		KGAARN
Cc1ccc(-n2nc3c(c2NC(=O)c2ccc(S(=O)(=O)N4CCCCC4)cc2)CS(=O)(=O)C3)cc1	ZINC000003008749	552256016	/nfs/dbraw/zinc/25/60/16/552256016.db2.gz	YNDIQOPCYOCTLN-UHFFFAOYSA-N	0	0	514.629	3.036	50	0		KGAARN
CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2c3c(nn2-c2cccc(Cl)c2)CS(=O)(=O)C3)cc1	ZINC000003008892	552255981	/nfs/dbraw/zinc/25/59/81/552255981.db2.gz	YKGYEXXWEDRIMS-UHFFFAOYSA-N	0	0	523.036	3.237	50	0		KGAARN
O=C(Nc1c2c(nn1-c1cccc(Cl)c1)CS(=O)(=O)C2)c1ccc(S(=O)(=O)N2CCCCC2)cc1	ZINC000003008900	552255986	/nfs/dbraw/zinc/25/59/86/552255986.db2.gz	MODMSTHGAYSHDD-UHFFFAOYSA-N	0	0	535.047	3.381	50	0		KGAARN
CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2c3c(nn2-c2ccc(Cl)cc2)CS(=O)(=O)C3)cc1	ZINC000003009054	552255997	/nfs/dbraw/zinc/25/59/97/552255997.db2.gz	KDWIFYSHIYKPLE-UHFFFAOYSA-N	0	0	523.036	3.237	50	0		KGAARN
O=C(Nc1c2c(nn1-c1ccc(Cl)cc1)CS(=O)(=O)C2)c1ccc(S(=O)(=O)N2CCCCC2)cc1	ZINC000003009061	552255956	/nfs/dbraw/zinc/25/59/56/552255956.db2.gz	OEOIICUMZCDHFG-UHFFFAOYSA-N	0	0	535.047	3.381	50	0		KGAARN
COc1ccc(-n2nc3c(c2NC(=O)c2ccccc2I)CS(=O)(=O)C3)cc1	ZINC000003009373	552256182	/nfs/dbraw/zinc/25/61/82/552256182.db2.gz	XLRBGRAUCDJDRO-UHFFFAOYSA-N	0	0	509.325	3.166	50	0		KGAARN
CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2c3c(nn2-c2cccc(C)c2C)CS(=O)(=O)C3)cc1	ZINC000003009598	552256189	/nfs/dbraw/zinc/25/61/89/552256189.db2.gz	ABBQVBFNQWGYCA-UHFFFAOYSA-N	0	0	516.645	3.200	50	0		KGAARN
Cc1cccc(-n2nc3c(c2NC(=O)c2ccc(S(=O)(=O)N4CCCCC4)cc2)CS(=O)(=O)C3)c1C	ZINC000003009603	552256186	/nfs/dbraw/zinc/25/61/86/552256186.db2.gz	URIUCDMDHHHASA-UHFFFAOYSA-N	0	0	528.656	3.344	50	0		KGAARN
CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2c3c(nn2-c2ccc(C)cc2C)CS(=O)(=O)C3)cc1	ZINC000003009737	552256206	/nfs/dbraw/zinc/25/62/06/552256206.db2.gz	VRYUMSOZJMNXPV-UHFFFAOYSA-N	0	0	516.645	3.200	50	0		KGAARN
Cc1ccc(-n2nc3c(c2NC(=O)c2ccc(S(=O)(=O)N4CCCCC4)cc2)CS(=O)(=O)C3)c(C)c1	ZINC000003009741	552256222	/nfs/dbraw/zinc/25/62/22/552256222.db2.gz	YZWUOBAQNKDXQQ-UHFFFAOYSA-N	0	0	528.656	3.344	50	0		KGAARN
CCOC(=O)N1CCN(C(=O)c2cnn3c2N[C@@H](c2ccc(OC)c(OC)c2)C[C@H]3C(F)(F)F)CC1	ZINC000003012435	552259372	/nfs/dbraw/zinc/25/93/72/552259372.db2.gz	RDSLHHKXYCXTCA-APWZRJJASA-N	0	0	511.501	3.475	50	0		KGAARN
CCOC(=O)N1CCN(C(=O)c2cnn3c2N[C@@H](c2ccc(OC)c(OC)c2)C[C@@H]3C(F)(F)F)CC1	ZINC000003012436	552259626	/nfs/dbraw/zinc/25/96/26/552259626.db2.gz	RDSLHHKXYCXTCA-VQIMIIECSA-N	0	0	511.501	3.475	50	0		KGAARN
CCOC(=O)N1CCN(C(=O)c2cnn3c2N[C@H](c2ccc(OC)c(OC)c2)C[C@H]3C(F)(F)F)CC1	ZINC000003012438	552259610	/nfs/dbraw/zinc/25/96/10/552259610.db2.gz	RDSLHHKXYCXTCA-LPHOPBHVSA-N	0	0	511.501	3.475	50	0		KGAARN
CCOC(=O)N1CCN(C(=O)c2cnn3c2N[C@H](c2ccc(OC)c(OC)c2)C[C@@H]3C(F)(F)F)CC1	ZINC000003012439	552259558	/nfs/dbraw/zinc/25/95/58/552259558.db2.gz	RDSLHHKXYCXTCA-QFBILLFUSA-N	0	0	511.501	3.475	50	0		KGAARN
COCCNC(=O)c1ccc(N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c(NC(=O)c2cc(OC)c(OC)c(OC)c2)c1	ZINC000003013435	552260339	/nfs/dbraw/zinc/26/03/39/552260339.db2.gz	BUBNOLNLTLVJRH-KNQAVFIVSA-N	0	0	576.650	3.126	50	0		KGAARN
COCCNC(=O)c1ccc(N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c(NC(=O)c2ccc(OC)cc2)c1	ZINC000003013450	552260341	/nfs/dbraw/zinc/26/03/41/552260341.db2.gz	QZQBYYOJWMNNON-KNQAVFIVSA-N	0	0	516.598	3.109	50	0		KGAARN
O=C(Nc1cc(C(=O)N2CCOCC2)ccc1N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2)c1ccc(F)cc1	ZINC000003013565	552260566	/nfs/dbraw/zinc/26/05/66/552260566.db2.gz	MZRZSOIMAVLBPZ-KNQAVFIVSA-N	0	0	516.573	3.336	50	0		KGAARN
O=C(Nc1cc(C(=O)N2CCOCC2)ccc1N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2)c1cccs1	ZINC000003013567	552260531	/nfs/dbraw/zinc/26/05/31/552260531.db2.gz	OILDBBDRYLYSQR-QUCCMNQESA-N	0	0	504.612	3.258	50	0		KGAARN
CC(=O)Nc1ccc(S(=O)(=O)N[C@]2(C(F)(F)F)NC(=O)N(c3cccc(C(F)(F)F)c3)C2=O)cc1	ZINC000003017548	552261210	/nfs/dbraw/zinc/26/12/10/552261210.db2.gz	NZSVQFNEPYCYBY-QGZVFWFLSA-N	0	0	524.399	3.162	50	0		KGAARN
CC(=O)Nc1ccc(S(=O)(=O)N[C@@]2(C(F)(F)F)NC(=O)N(c3cccc(C(F)(F)F)c3)C2=O)cc1	ZINC000003017550	552261198	/nfs/dbraw/zinc/26/11/98/552261198.db2.gz	NZSVQFNEPYCYBY-KRWDZBQOSA-N	0	0	524.399	3.162	50	0		KGAARN
COCCCNc1ccc(C(=O)N2CCC3(CC2)OCCO3)cc1S(=O)(=O)Nc1cc(F)ccc1F	ZINC000003017558	552261063	/nfs/dbraw/zinc/26/10/63/552261063.db2.gz	YVJIEHFJNJDJSL-UHFFFAOYSA-N	0	0	525.574	3.193	50	0		KGAARN
CC(C)CCNS(=O)(=O)c1cccc(S(=O)(=O)c2cccc(S(=O)(=O)NCCC(C)C)c2)c1	ZINC000003017877	552261388	/nfs/dbraw/zinc/26/13/88/552261388.db2.gz	RYXPFIQRWZIADL-UHFFFAOYSA-N	0	0	516.707	3.168	50	0	biogenic	KGAARN
COCCNC(=O)c1ccc(N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c(NC(=O)c2c(F)cccc2F)c1	ZINC000003019577	552263123	/nfs/dbraw/zinc/26/31/23/552263123.db2.gz	OZMVAZDPPNSQAN-MJGOQNOKSA-N	0	0	522.552	3.379	50	0		KGAARN
O=C(CSc1nnc2c3cc(S(=O)(=O)N4CCCCC4)ccc3[nH]c2n1)Nc1ccc2c(c1)OCCO2	ZINC000003021447	552263779	/nfs/dbraw/zinc/26/37/79/552263779.db2.gz	JIPMWQJMZXEVRO-UHFFFAOYSA-N	0	0	540.627	3.183	50	0		KGAARN
COc1ccc(OC)c(NC(=O)c2cc(S(=O)(=O)NC[C@H]3COc4ccccc4O3)ccc2F)c1	ZINC000003024908	552265427	/nfs/dbraw/zinc/26/54/27/552265427.db2.gz	TVCOCTUCCIISQY-INIZCTEOSA-N	0	0	502.520	3.214	50	0		KGAARN
COc1ccc(OC)c(NC(=O)c2cc(S(=O)(=O)NC[C@@H]3COc4ccccc4O3)ccc2F)c1	ZINC000003024910	552265444	/nfs/dbraw/zinc/26/54/44/552265444.db2.gz	TVCOCTUCCIISQY-MRXNPFEDSA-N	0	0	502.520	3.214	50	0		KGAARN
CCOC(=O)CN(Cc1cc(OC)c(OC)c(OC)c1)S(=O)(=O)c1ccc(Br)cc1	ZINC000003028265	552267662	/nfs/dbraw/zinc/26/76/62/552267662.db2.gz	BEIINPNXMSPBSY-UHFFFAOYSA-N	0	0	502.383	3.229	50	0		KGAARN
CCOC(=O)C1CCN(C(=O)c2cnc3ccc(S(=O)(=O)N(CC)c4ccc(F)cc4)cc3c2O)CC1	ZINC000003032595	552268145	/nfs/dbraw/zinc/26/81/45/552268145.db2.gz	JTJAPBOJHZTGDT-UHFFFAOYSA-N	0	0	529.590	3.298	50	0		KGAARN
CCOc1ccc(N2C(=O)Nc3ccc(Br)cc3[C@@]2(O)C(=O)N2CCC3(CC2)OCCO3)cc1	ZINC000003037777	552271941	/nfs/dbraw/zinc/27/19/41/552271941.db2.gz	ROPRFSCZPFEENT-XMMPIXPASA-N	0	0	532.391	3.411	50	0		KGAARN
CCOc1ccc(N2C(=O)Nc3ccc(Br)cc3[C@]2(O)C(=O)N2CCC3(CC2)OCCO3)cc1	ZINC000003037779	552272016	/nfs/dbraw/zinc/27/20/16/552272016.db2.gz	ROPRFSCZPFEENT-DEOSSOPVSA-N	0	0	532.391	3.411	50	0		KGAARN
COc1ccccc1CNC(=O)c1oc2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)cc2c1C	ZINC000003046878	552276188	/nfs/dbraw/zinc/27/61/88/552276188.db2.gz	HIFQHQROYXECSE-UHFFFAOYSA-N	0	0	500.573	3.207	50	0		KGAARN
COc1ccc(Br)cc1CNC(=O)c1cc(=O)[nH]c2ccc(S(=O)(=O)N3CCCC3)cc21	ZINC000003049071	552276596	/nfs/dbraw/zinc/27/65/96/552276596.db2.gz	VBLVYZVVILSNDJ-UHFFFAOYSA-N	0	0	520.405	3.014	50	0		KGAARN
COc1ccc(Br)cc1CNC(=O)c1cc(=O)[nH]c2ccc(S(=O)(=O)N3CCCCC3)cc21	ZINC000003049266	552276835	/nfs/dbraw/zinc/27/68/35/552276835.db2.gz	CLJTXAYCEABMTM-UHFFFAOYSA-N	0	0	534.432	3.404	50	0		KGAARN
O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(C(=O)N2CCOCC2)cc1)NCCc1ccccc1	ZINC000003052334	552278704	/nfs/dbraw/zinc/27/87/04/552278704.db2.gz	RSWONQGVXCKFMZ-UHFFFAOYSA-N	0	0	528.634	3.309	50	0		KGAARN
CN(Cc1ccccc1)C(=O)CSc1nc2cc(C(=O)N3CCC(C(N)=O)CC3)ccc2c(=O)n1-c1ccccc1	ZINC000003052395	552278845	/nfs/dbraw/zinc/27/88/45/552278845.db2.gz	PAKAZAZOGCFFAR-UHFFFAOYSA-N	0	0	569.687	3.474	50	0		KGAARN
O=C(c1ccco1)N1CCN(C(=O)c2ccc(CS(=O)(=O)c3ccc(Br)cc3)o2)CC1	ZINC000003062376	552282916	/nfs/dbraw/zinc/28/29/16/552282916.db2.gz	OASPOXDDCBYYIK-UHFFFAOYSA-N	0	0	507.362	3.207	50	0		KGAARN
Nc1ccc2c(c1)C(=O)N(c1ccc(S(=O)(=O)c3ccc(N4C(=O)c5ccc(N)cc5C4=O)cc3)cc1)C2=O	ZINC000003065027	552284492	/nfs/dbraw/zinc/28/44/92/552284492.db2.gz	WXTBFUNIQYAFFV-UHFFFAOYSA-N	0	0	538.541	3.285	50	0		KGAARN
CC(C)(C)c1ccc(C(=O)N[C@]2(C(F)(F)F)C(=O)Nc3c2c(=O)[nH]c(=O)n3-c2ccc(F)cc2)cc1	ZINC000003105573	552288746	/nfs/dbraw/zinc/28/87/46/552288746.db2.gz	YKTRGEDMQMZTQC-QHCPKHFHSA-N	0	0	504.440	3.102	50	0		KGAARN
CC(C)(C)c1ccc(C(=O)N[C@@]2(C(F)(F)F)C(=O)Nc3c2c(=O)[nH]c(=O)n3-c2ccc(F)cc2)cc1	ZINC000003105576	552288713	/nfs/dbraw/zinc/28/87/13/552288713.db2.gz	YKTRGEDMQMZTQC-HSZRJFAPSA-N	0	0	504.440	3.102	50	0		KGAARN
COC(=O)c1cc(OC)c(OC)cc1NC(=O)CSc1nnnn1-c1ccc(OC(F)(F)F)cc1	ZINC000003105587	552288722	/nfs/dbraw/zinc/28/87/22/552288722.db2.gz	BAPOVLADTSVBSN-UHFFFAOYSA-N	0	0	513.454	3.096	50	0		KGAARN
COc1ccc(OCCn2c(=O)c(C(C)=O)cn(N(C)c3ncc(C(F)(F)F)cc3Cl)c2=O)cc1	ZINC000003116915	552290628	/nfs/dbraw/zinc/29/06/28/552290628.db2.gz	OZQFEQJZXRVKTA-UHFFFAOYSA-N	0	0	512.872	3.267	50	0		KGAARN
COC(=O)CN1C(=O)N(c2cccc(Cl)c2)[C@H](n2oc(=O)n(-c3cccc(Cl)c3)c2=O)C1(C)C	ZINC000003131586	552292802	/nfs/dbraw/zinc/29/28/02/552292802.db2.gz	INNWPOYTTWFLAC-GOSISDBHSA-N	0	0	507.330	3.291	50	0		KGAARN
COC(=O)CN1C(=O)N(c2cccc(Cl)c2)[C@@H](n2oc(=O)n(-c3cccc(Cl)c3)c2=O)C1(C)C	ZINC000003131587	552292743	/nfs/dbraw/zinc/29/27/43/552292743.db2.gz	INNWPOYTTWFLAC-SFHVURJKSA-N	0	0	507.330	3.291	50	0		KGAARN
Cc1ccc(OCCn2c(=O)c3cc4c(cc3c2=O)c(=O)n(CCOc2ccc(C)c(C)c2)c4=O)cc1C	ZINC000003143396	552296163	/nfs/dbraw/zinc/29/61/63/552296163.db2.gz	NALDJHASCJVWNT-UHFFFAOYSA-N	0	0	512.562	3.304	50	0		KGAARN
CCOc1ccc(N(CN2C(=O)c3ccccc3C2=O)C(=O)c2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)cc1	ZINC000003168722	552298811	/nfs/dbraw/zinc/29/88/11/552298811.db2.gz	YFNVGFCJTSAACY-UHFFFAOYSA-N	0	0	567.595	3.146	50	0		KGAARN
Cc1ccc(N(CN2C(=O)c3ccccc3C2=O)C(=O)c2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)c(C)c1	ZINC000003170875	552299396	/nfs/dbraw/zinc/29/93/96/552299396.db2.gz	LTGRXDRMSOYDCW-UHFFFAOYSA-N	0	0	551.596	3.364	50	0		KGAARN
O=C(COc1cccc(Br)c1)N1CCN(C(=O)COc2cccc(Br)c2)CC1	ZINC000003171197	552299361	/nfs/dbraw/zinc/29/93/61/552299361.db2.gz	VWAUXTJLZVGNEW-UHFFFAOYSA-N	0	0	512.198	3.340	50	0		KGAARN
O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1)c1ccc(S(=O)(=O)N2CCOCC2)cc1	ZINC000003173239	552299586	/nfs/dbraw/zinc/29/95/86/552299586.db2.gz	IPINRJUIBZRCGH-UHFFFAOYSA-N	0	0	536.031	3.414	50	0		KGAARN
O=c1c2ccccc2nnn1CSc1nc2ccccc2nc1SCn1nnc2ccccc2c1=O	ZINC000003176120	552299820	/nfs/dbraw/zinc/29/98/20/552299820.db2.gz	CCIWWEXKWBNAJL-UHFFFAOYSA-N	0	0	512.580	3.339	50	0		KGAARN
CCN(CC)S(=O)(=O)c1cccc(C(=O)N[C@@H](Cc2c[nH]c3ccccc23)c2nnc3n2CCC3)c1	ZINC000003192072	552302380	/nfs/dbraw/zinc/30/23/80/552302380.db2.gz	UEFYFHYHKSIDOY-QHCPKHFHSA-N	0	0	506.632	3.450	50	0		KGAARN
CCN(CC)S(=O)(=O)c1cccc(C(=O)N[C@H](Cc2c[nH]c3ccccc23)c2nnc3n2CCC3)c1	ZINC000003192074	552302358	/nfs/dbraw/zinc/30/23/58/552302358.db2.gz	UEFYFHYHKSIDOY-HSZRJFAPSA-N	0	0	506.632	3.450	50	0		KGAARN
COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)Nc2nc3c(s2)CCc2ccccc2-3)cc1	ZINC000003199172	552303722	/nfs/dbraw/zinc/30/37/22/552303722.db2.gz	YVOVRZRCNZTMIZ-UHFFFAOYSA-N	0	0	501.630	3.445	50	0		KGAARN
COC(=O)[C@](O)(c1c(-c2ccccc2)c([C@](O)(C(=O)OC)C(F)(F)F)c2ccccn21)C(F)(F)F	ZINC000003200357	552304049	/nfs/dbraw/zinc/30/40/49/552304049.db2.gz	DQZKNKPXKJGXIU-VQTJNVASSA-N	0	0	505.367	3.452	50	0		KGAARN
COC(=O)[C@](O)(c1c2ccccn2c([C@@](O)(C(=O)OC)C(F)(F)F)c1-c1ccccc1)C(F)(F)F	ZINC000003200358	552304085	/nfs/dbraw/zinc/30/40/85/552304085.db2.gz	DQZKNKPXKJGXIU-WOJBJXKFSA-N	0	0	505.367	3.452	50	0		KGAARN
COC(=O)[C@@](O)(c1c2ccccn2c([C@](O)(C(=O)OC)C(F)(F)F)c1-c1ccccc1)C(F)(F)F	ZINC000003200361	552304060	/nfs/dbraw/zinc/30/40/60/552304060.db2.gz	DQZKNKPXKJGXIU-PMACEKPBSA-N	0	0	505.367	3.452	50	0		KGAARN
COC(=O)[C@](O)(c1c2ccccn2c([C@](O)(C(=O)OC)C(F)(F)F)c1-c1ccccc1)C(F)(F)F	ZINC000003200363	552304056	/nfs/dbraw/zinc/30/40/56/552304056.db2.gz	DQZKNKPXKJGXIU-UXHICEINSA-N	0	0	505.367	3.452	50	0		KGAARN
CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)c1	ZINC000003204957	552304299	/nfs/dbraw/zinc/30/42/99/552304299.db2.gz	WZRUVJAREZHCAH-UHFFFAOYSA-N	0	0	500.042	3.407	50	0		KGAARN
O=C(C1CCN(S(=O)(=O)c2cccc3nsnc32)CC1)N1CCN(c2ccccc2Cl)CC1	ZINC000003208302	552304988	/nfs/dbraw/zinc/30/49/88/552304988.db2.gz	FNQNYPLQRPFNNN-UHFFFAOYSA-N	0	0	506.053	3.094	50	0		KGAARN
Cc1nn(-c2ccccc2)c(Cl)c1/C=C1/N=C(c2ccc(S(=O)(=O)N3CCOCC3)cc2)OC1=O	ZINC000003208458	1059660192	/nfs/dbraw/zinc/66/01/92/1059660192.db2.gz	AQTVYWADVIKSII-RCCKNPSSSA-N	0	0	512.975	3.200	50	0		KGAARN
Cc1nn(-c2ccccc2)c(Cl)c1/C=C1\N=C(c2ccc(S(=O)(=O)N3CCOCC3)cc2)OC1=O	ZINC000003208460	552305074	/nfs/dbraw/zinc/30/50/74/552305074.db2.gz	AQTVYWADVIKSII-QNGOZBTKSA-N	0	0	512.975	3.200	50	0		KGAARN
O=C(Nc1cc(C(F)(F)F)ccc1N1CCOCC1)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1	ZINC000003209977	552305359	/nfs/dbraw/zinc/30/53/59/552305359.db2.gz	MPOGNNPJZIHMCI-UHFFFAOYSA-N	0	0	533.956	3.469	50	0		KGAARN
Cc1nn(-c2ccccc2)c2sc(C(=O)OCCNC(=O)c3cccc(S(=O)(=O)N(C)C)c3)cc12	ZINC000003214854	552306476	/nfs/dbraw/zinc/30/64/76/552306476.db2.gz	MINWRIKHOIERFO-UHFFFAOYSA-N	0	0	512.613	3.233	50	0		KGAARN
Cc1c(NS(=O)(=O)c2cccc(C(=O)Nc3ccc4c(c3)OCCO4)c2)c(=O)n(-c2ccccc2)n1C	ZINC000003215361	552306865	/nfs/dbraw/zinc/30/68/65/552306865.db2.gz	RQJKTTULVXAWSK-UHFFFAOYSA-N	0	0	520.567	3.309	50	0		KGAARN
Cc1c(NS(=O)(=O)c2cccc(C(=O)Nc3ccc4c(c3)OCO4)c2)c(=O)n(-c2ccccc2)n1C	ZINC000003216460	552307779	/nfs/dbraw/zinc/30/77/79/552307779.db2.gz	IONJIMOUXVRIJP-UHFFFAOYSA-N	0	0	506.540	3.266	50	0		KGAARN
Cc1c(N(C)S(=O)(=O)c2cccc(C(=O)Nc3ccccc3N3CCOCC3)c2)c(=O)n(-c2ccccc2)n1C	ZINC000003216504	552307761	/nfs/dbraw/zinc/30/77/61/552307761.db2.gz	GMXKCAIBNVLAKD-UHFFFAOYSA-N	0	0	561.664	3.398	50	0		KGAARN
CCOC(=O)c1c2c(sc1NC(=O)/C=C/c1ccc(S(=O)(=O)N3CCOCC3)cc1)CCCC2	ZINC000003217209	552308021	/nfs/dbraw/zinc/30/80/21/552308021.db2.gz	UUWXHBMNXPPLPK-FMIVXFBMSA-N	0	0	504.630	3.476	50	0		KGAARN
CCOC(=O)Cc1csc(NC(=O)COc2ccc(N(C)S(=O)(=O)c3ccc(C)cc3)cc2)n1	ZINC000003217821	552308427	/nfs/dbraw/zinc/30/84/27/552308427.db2.gz	KIVQFRNTCPRJDA-UHFFFAOYSA-N	0	0	503.602	3.400	50	0		KGAARN
Cc1nn(-c2ccccc2)c2sc(C(=O)NCCOC(=O)c3cccc(S(=O)(=O)N(C)C)c3)cc12	ZINC000003218292	552308970	/nfs/dbraw/zinc/30/89/70/552308970.db2.gz	AVUIBDSGKFUSNN-UHFFFAOYSA-N	0	0	512.613	3.233	50	0		KGAARN
COC(Cn1c(SCC(=O)Nc2cc(C)cc(C)c2)nnc1-c1cccc(S(=O)(=O)N(C)C)c1)OC	ZINC000003220380	552309781	/nfs/dbraw/zinc/30/97/81/552309781.db2.gz	HELLRPCITXGYPU-UHFFFAOYSA-N	0	0	533.676	3.162	50	0		KGAARN
O=C(COC(=O)c1cccnc1SCC(=O)Nc1ccc2c(c1)OCO2)Nc1ccc2c(c1)OCO2	ZINC000003220494	552309775	/nfs/dbraw/zinc/30/97/75/552309775.db2.gz	QYJIKDWNNZOKDP-UHFFFAOYSA-N	0	0	509.496	3.065	50	0		KGAARN
O=C(CSc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)o1)c1cccc(Br)c1	ZINC000003221373	552310331	/nfs/dbraw/zinc/31/03/31/552310331.db2.gz	ODTBTKDOUNIFSB-UHFFFAOYSA-N	0	0	524.418	3.495	50	0		KGAARN
Cc1sc(NC(=O)c2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)nc1Cc1ccc2c(c1)OCO2	ZINC000003221602	552310376	/nfs/dbraw/zinc/31/03/76/552310376.db2.gz	FXLJKIKBCPHCQM-UHFFFAOYSA-N	0	0	515.613	3.353	50	0		KGAARN
COc1ccc(NC(=O)COC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2cccc3nsnc32)cc1Cl	ZINC000003221635	552310292	/nfs/dbraw/zinc/31/02/92/552310292.db2.gz	QXNFPTRLQHLBIB-IBGZPJMESA-N	0	0	561.041	3.425	50	0		KGAARN
CN(c1ccc(OCC(=O)OCC(=O)Nc2ccc3c(c2)OCO3)cc1)S(=O)(=O)c1ccc(Cl)cc1	ZINC000003222071	552310781	/nfs/dbraw/zinc/31/07/81/552310781.db2.gz	KBFJVXNXXQSPEK-UHFFFAOYSA-N	0	0	532.958	3.455	50	0		KGAARN
COc1cc(S(=O)(=O)N2CCOCC2)ccc1NC(=O)CSc1ccc(Br)cc1	ZINC000003222139	552310777	/nfs/dbraw/zinc/31/07/77/552310777.db2.gz	IHDRMVABQRVKEF-UHFFFAOYSA-N	0	0	501.424	3.209	50	0		KGAARN
O=C(/C=C/c1ccc(S(=O)(=O)N2CCOCC2)cc1)OCC(=O)Nc1nc(-c2ccccc2)cs1	ZINC000003222595	552311288	/nfs/dbraw/zinc/31/12/88/552311288.db2.gz	GQTSFJXZKLKAHA-DHZHZOJOSA-N	0	0	513.597	3.026	50	0		KGAARN
COc1ccc(N2C(=O)c3ccccc3/C(=C/NNS(=O)(=O)c3cc(C)ccc3C)C2=O)cc1OC	ZINC000003222666	552311291	/nfs/dbraw/zinc/31/12/91/552311291.db2.gz	SKFOVNFLUGXEKS-QNGOZBTKSA-N	0	0	507.568	3.332	50	0		KGAARN
O=C(COC(=O)C1CCN(S(=O)(=O)c2cccs2)CC1)Nc1nc2c(cc(F)c(F)c2F)s1	ZINC000003223357	552311407	/nfs/dbraw/zinc/31/14/07/552311407.db2.gz	CHORKYJXGIWZFB-UHFFFAOYSA-N	0	0	519.548	3.358	50	0		KGAARN
O=C(COc1ccc(S(=O)(=O)c2ccc(OCC(=O)Nc3ccccn3)cc2)cc1)Nc1ccccn1	ZINC000003223840	552311746	/nfs/dbraw/zinc/31/17/46/552311746.db2.gz	HFHFPAOCEZGTDO-UHFFFAOYSA-N	0	0	518.551	3.344	50	0		KGAARN
Cc1c(NC(=O)COC(=O)c2cccc(S(=O)(=O)N(C)c3ccccc3)c2)c(=O)n(-c2ccccc2)n1C	ZINC000003224319	552311816	/nfs/dbraw/zinc/31/18/16/552311816.db2.gz	ZIOULTMTCITIJM-UHFFFAOYSA-N	0	0	534.594	3.105	50	0		KGAARN
Cc1c(NS(=O)(=O)c2cc(C(=O)NCc3ccco3)ccc2Cl)c(=O)n(-c2ccccc2)n1C	ZINC000003224696	552312007	/nfs/dbraw/zinc/31/20/07/552312007.db2.gz	LSUXYYFDHMTCCD-UHFFFAOYSA-N	0	0	500.964	3.462	50	0		KGAARN
CCOc1ccc(S(=O)(=O)N2Cc3ccccc3C[C@H]2C(=O)Nc2cc(C(=O)OC)ccc2C(=O)OC)cc1	ZINC000003226143	552312790	/nfs/dbraw/zinc/31/27/90/552312790.db2.gz	JMEWLNKYNUCQDD-VWLOTQADSA-N	0	0	552.605	3.413	50	0		KGAARN
CCOc1ccc(S(=O)(=O)N2Cc3ccccc3C[C@@H]2C(=O)Nc2cc(C(=O)OC)ccc2C(=O)OC)cc1	ZINC000003226144	552312812	/nfs/dbraw/zinc/31/28/12/552312812.db2.gz	JMEWLNKYNUCQDD-RUZDIDTESA-N	0	0	552.605	3.413	50	0		KGAARN
COc1cc(OC)c(S(=O)(=O)N2CCc3ccccc3C2)cc1S(=O)(=O)N1CCc2ccccc2C1	ZINC000003226373	552313130	/nfs/dbraw/zinc/31/31/30/552313130.db2.gz	HIUKHBPLPBSTED-UHFFFAOYSA-N	0	0	528.652	3.198	50	0		KGAARN
Cc1c(NC(=O)COC(=O)C[C@H]2c3ccccc3CCN2S(=O)(=O)c2ccccc2)c(=O)n(-c2ccccc2)n1C	ZINC000003226727	552313156	/nfs/dbraw/zinc/31/31/56/552313156.db2.gz	SNPQDNCRCSQHAD-SANMLTNESA-N	0	0	574.659	3.345	50	0		KGAARN
Cc1c(NC(=O)COC(=O)C[C@@H]2c3ccccc3CCN2S(=O)(=O)c2ccccc2)c(=O)n(-c2ccccc2)n1C	ZINC000003226728	552313114	/nfs/dbraw/zinc/31/31/14/552313114.db2.gz	SNPQDNCRCSQHAD-AREMUKBSSA-N	0	0	574.659	3.345	50	0		KGAARN
Cc1c(NC(=O)COC(=O)c2cccc(S(=O)(=O)N3CCc4ccccc4C3)c2)c(=O)n(-c2ccccc2)n1C	ZINC000003228111	552313880	/nfs/dbraw/zinc/31/38/80/552313880.db2.gz	ISIHYCRNPOULAF-UHFFFAOYSA-N	0	0	560.632	3.027	50	0		KGAARN
O=C(COC(=O)c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl)Nc1ccc(F)cc1F	ZINC000003228359	552314224	/nfs/dbraw/zinc/31/42/24/552314224.db2.gz	MIKOZAJHLOOQRX-UHFFFAOYSA-N	0	0	509.314	3.088	50	0		KGAARN
CCN(CC)S(=O)(=O)c1ccc(/C=C/C(=O)O[C@@H](C)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1	ZINC000003228937	552314382	/nfs/dbraw/zinc/31/43/82/552314382.db2.gz	VSLCFLRKTWCILJ-POLXVDLBSA-N	0	0	540.642	3.099	50	0		KGAARN
CCN(CC)S(=O)(=O)c1ccc(/C=C/C(=O)O[C@H](C)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1	ZINC000003228939	552314404	/nfs/dbraw/zinc/31/44/04/552314404.db2.gz	VSLCFLRKTWCILJ-PHKMIBKXSA-N	0	0	540.642	3.099	50	0		KGAARN
COC(=O)c1ccc(C(=O)OC)c(NC(=O)[C@H]2Cc3ccccc3CN2S(=O)(=O)c2cccs2)c1	ZINC000003229044	552314360	/nfs/dbraw/zinc/31/43/60/552314360.db2.gz	XSIJDSSGRRPAHP-HXUWFJFHSA-N	0	0	514.581	3.076	50	0		KGAARN
COC(=O)c1ccc(C(=O)OC)c(NC(=O)[C@@H]2Cc3ccccc3CN2S(=O)(=O)c2cccs2)c1	ZINC000003229045	552314378	/nfs/dbraw/zinc/31/43/78/552314378.db2.gz	XSIJDSSGRRPAHP-FQEVSTJZSA-N	0	0	514.581	3.076	50	0		KGAARN
COC(=O)c1cc(NC(=O)[C@H]2Cc3ccccc3CN2S(=O)(=O)c2cccs2)cc(C(=O)OC)c1	ZINC000003229070	552314406	/nfs/dbraw/zinc/31/44/06/552314406.db2.gz	PMEZZTJFNILNIJ-HXUWFJFHSA-N	0	0	514.581	3.076	50	0		KGAARN
COC(=O)c1cc(NC(=O)[C@@H]2Cc3ccccc3CN2S(=O)(=O)c2cccs2)cc(C(=O)OC)c1	ZINC000003229071	552314354	/nfs/dbraw/zinc/31/43/54/552314354.db2.gz	PMEZZTJFNILNIJ-FQEVSTJZSA-N	0	0	514.581	3.076	50	0		KGAARN
Cc1c(NC(=O)[C@@H](C)OC(=O)c2cccc(S(=O)(=O)N3CCc4ccccc43)c2)c(=O)n(-c2ccccc2)n1C	ZINC000003229144	552314357	/nfs/dbraw/zinc/31/43/57/552314357.db2.gz	UXNWCCOGVKFCFW-HXUWFJFHSA-N	0	0	560.632	3.420	50	0		KGAARN
Cc1c(NC(=O)[C@H](C)OC(=O)c2cccc(S(=O)(=O)N3CCc4ccccc43)c2)c(=O)n(-c2ccccc2)n1C	ZINC000003229145	552314346	/nfs/dbraw/zinc/31/43/46/552314346.db2.gz	UXNWCCOGVKFCFW-FQEVSTJZSA-N	0	0	560.632	3.420	50	0		KGAARN
COc1cc(S(=O)(=O)N2CCOCC2)ccc1NC(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(C)cc1	ZINC000003229274	552314760	/nfs/dbraw/zinc/31/47/60/552314760.db2.gz	VBVLBZCHAKYRIZ-UHFFFAOYSA-N	0	0	580.688	3.454	50	0		KGAARN
Cc1c(Cl)cccc1-n1c(SCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)nc2sc3c(c2c1=O)CCCC3	ZINC000003233135	552316090	/nfs/dbraw/zinc/31/60/90/552316090.db2.gz	GDUMWGIFVWHNPT-UHFFFAOYSA-N	0	0	558.085	3.242	50	0		KGAARN
O=C(COC(=O)c1ccc(F)c(S(=O)(=O)N2CCCCC2)c1)Nc1c(F)c(F)c(F)c(F)c1F	ZINC000003233153	552316018	/nfs/dbraw/zinc/31/60/18/552316018.db2.gz	AXDHJXGYDSCFTH-UHFFFAOYSA-N	0	0	510.412	3.491	50	0		KGAARN
O=C(NCCN1C(=O)S/C(=C\c2cccs2)C1=O)c1cccc(S(=O)(=O)N2CCCCC2)c1	ZINC000003234395	1059660419	/nfs/dbraw/zinc/66/04/19/1059660419.db2.gz	UNVRPHSBLWXSJJ-CYVLTUHYSA-N	0	0	505.643	3.389	50	0		KGAARN
COc1cc(S(=O)(=O)N2CCOCC2)ccc1NC(=O)CSc1nnc(Nc2ccc(C)cc2)s1	ZINC000003234893	552316266	/nfs/dbraw/zinc/31/62/66/552316266.db2.gz	OAOANDYNVDDOCN-UHFFFAOYSA-N	0	0	535.673	3.350	50	0		KGAARN
Cc1ccc(-n2c(=O)c3ccccc3nc2SCC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1	ZINC000003235002	552316308	/nfs/dbraw/zinc/31/63/08/552316308.db2.gz	XRFGIXRUMOEOKS-UHFFFAOYSA-N	0	0	550.662	3.446	50	0		KGAARN
Cc1ccc(Nc2nnc(SCC(=O)Nc3ccc(S(=O)(=O)N4CCOCC4)cc3)s2)cc1	ZINC000003235160	552316604	/nfs/dbraw/zinc/31/66/04/552316604.db2.gz	FXWTTWSCXCWGPB-UHFFFAOYSA-N	0	0	505.647	3.342	50	0		KGAARN
O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(F)cc1F)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1	ZINC000003235198	552316545	/nfs/dbraw/zinc/31/65/45/552316545.db2.gz	PCXAEMWZODFQIK-UHFFFAOYSA-N	0	0	572.615	3.416	50	0		KGAARN
CCN(CC)S(=O)(=O)c1ccc(C(=O)OCC(=O)Nc2ccc(I)cc2)cc1	ZINC000003235731	552316770	/nfs/dbraw/zinc/31/67/70/552316770.db2.gz	YMKHYMBJLFWXGQ-UHFFFAOYSA-N	0	0	516.357	3.117	50	0		KGAARN
Cc1cc(C)c(NC(=O)COC(=O)c2ccc(Br)c(S(=O)(=O)N3CCOCC3)c2)c(C)c1	ZINC000003237029	552317126	/nfs/dbraw/zinc/31/71/26/552317126.db2.gz	BHXQHLANRDGZOL-UHFFFAOYSA-N	0	0	525.421	3.191	50	0		KGAARN
O=C(COC(=O)c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl)NCc1ccc(Cl)cc1	ZINC000003237710	552317284	/nfs/dbraw/zinc/31/72/84/552317284.db2.gz	APVQDRWXCNMPBW-UHFFFAOYSA-N	0	0	521.806	3.141	50	0		KGAARN
Cc1cc(Br)ccc1SCC(=O)OCC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1	ZINC000003237814	552317616	/nfs/dbraw/zinc/31/76/16/552317616.db2.gz	MRTQIHRJFYILGE-UHFFFAOYSA-N	0	0	543.461	3.052	50	0		KGAARN
CC(=O)Oc1cc(C(=O)OCC(=O)Nc2ccc(Br)c(C)c2)cc(OC(C)=O)c1OC(C)=O	ZINC000003239227	552317810	/nfs/dbraw/zinc/31/78/10/552317810.db2.gz	LQVLMQCPSMZVLI-UHFFFAOYSA-N	0	0	522.304	3.329	50	0		KGAARN
NC(=O)c1ccc(NC(=O)CSc2nc3ccccc3nc2SCC(=O)Nc2ccc(C(N)=O)cc2)cc1	ZINC000003239275	552317794	/nfs/dbraw/zinc/31/77/94/552317794.db2.gz	ISXBBTPJYWAJCO-UHFFFAOYSA-N	0	0	546.634	3.289	50	0		KGAARN
COc1cc2c(cc1NC(=O)COC(=O)c1cccc(S(=O)(=O)N3CCOCC3)c1)oc1ccccc12	ZINC000003239461	552317806	/nfs/dbraw/zinc/31/78/06/552317806.db2.gz	DBRHIKUTCFRJMP-UHFFFAOYSA-N	0	0	524.551	3.411	50	0		KGAARN
Cc1cc(Br)c(OCc2ccc(C(=O)OCC(=O)c3c(N)n(C)c(=O)n(C)c3=O)cc2)c(Br)c1	ZINC000003239511	552318197	/nfs/dbraw/zinc/31/81/97/552318197.db2.gz	LKDPLEUTQVTSER-UHFFFAOYSA-N	0	0	595.244	3.118	50	0		KGAARN
COc1cc(S(=O)(=O)N2CCOCC2)ccc1NC(=O)CN(c1cccc2cccnc21)S(=O)(=O)c1ccccc1	ZINC000003240108	552318308	/nfs/dbraw/zinc/31/83/08/552318308.db2.gz	GXYSZFKYTORREX-UHFFFAOYSA-N	0	0	596.687	3.098	50	0		KGAARN
CN(c1ccc(OCC(=O)OCC(=O)NCc2ccco2)cc1)S(=O)(=O)c1ccc2ccccc2c1	ZINC000003240449	552318305	/nfs/dbraw/zinc/31/83/05/552318305.db2.gz	TVDUFWMNGGDEMT-UHFFFAOYSA-N	0	0	508.552	3.496	50	0		KGAARN
COc1cc(/C=C/C(=O)OCC(=O)NCc2ccccc2)cc(S(=O)(=O)N2CCc3ccccc32)c1OC	ZINC000003240531	552318636	/nfs/dbraw/zinc/31/86/36/552318636.db2.gz	BVBNYXLCCHNJQH-OUKQBFOZSA-N	0	0	536.606	3.328	50	0		KGAARN
Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1nc(-c2cc3ccccc3oc2=O)cs1	ZINC000003244485	552320006	/nfs/dbraw/zinc/32/00/06/552320006.db2.gz	OSTLTVQIQRVWDE-UHFFFAOYSA-N	0	0	511.581	3.498	50	0		KGAARN
CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)Nc3ncccn3)n2-c2ccccc2)c1	ZINC000003244966	552320175	/nfs/dbraw/zinc/32/01/75/552320175.db2.gz	ZWWONRYMJRCTAV-UHFFFAOYSA-N	0	0	523.644	3.486	50	0		KGAARN
COc1ccc(S(=O)(=O)N2Cc3ccccc3C[C@H]2C(=O)Nc2ccccc2N2CCOCC2)cc1	ZINC000003245148	552320162	/nfs/dbraw/zinc/32/01/62/552320162.db2.gz	QXBBWHGCDMWSJN-SANMLTNESA-N	0	0	507.612	3.286	50	0		KGAARN
COc1ccc(S(=O)(=O)N2Cc3ccccc3C[C@@H]2C(=O)Nc2ccccc2N2CCOCC2)cc1	ZINC000003245149	552320187	/nfs/dbraw/zinc/32/01/87/552320187.db2.gz	QXBBWHGCDMWSJN-AREMUKBSSA-N	0	0	507.612	3.286	50	0		KGAARN
O=C(COC(=O)c1cccnc1SCC(=O)Nc1ccc2c(c1)OCCO2)Nc1ccc2c(c1)OCCO2	ZINC000003245772	552320549	/nfs/dbraw/zinc/32/05/49/552320549.db2.gz	OMZNTAGAQSTDFG-UHFFFAOYSA-N	0	0	537.550	3.150	50	0		KGAARN
Cc1c(NC(=O)COC(=O)c2ccc(S(=O)(=O)N3CCc4ccccc4C3)cc2)c(=O)n(-c2ccccc2)n1C	ZINC000003246856	552320968	/nfs/dbraw/zinc/32/09/68/552320968.db2.gz	QGWREVNDNUIFKX-UHFFFAOYSA-N	0	0	560.632	3.027	50	0		KGAARN
Nc1c(C(=O)CSc2nc3ccccc3c(=O)n2-c2ccc(Cl)cc2)c(=O)[nH]c(=O)n1Cc1ccccc1	ZINC000003247584	552321151	/nfs/dbraw/zinc/32/11/51/552321151.db2.gz	WAUALCOXMRYXTK-UHFFFAOYSA-N	0	0	546.008	3.495	50	0		KGAARN
CCN(c1ccc(OCC(=O)OCC(=O)Nc2ccc3c(c2)OCO3)cc1)S(=O)(=O)c1ccccc1	ZINC000003247902	552321216	/nfs/dbraw/zinc/32/12/16/552321216.db2.gz	DGDPJCKYKHEVND-UHFFFAOYSA-N	0	0	512.540	3.191	50	0		KGAARN
CCN(c1ccc(OCC(=O)OCC(=O)Nc2ccc3c(c2)OCCO3)cc1)S(=O)(=O)c1ccccc1	ZINC000003247905	552321155	/nfs/dbraw/zinc/32/11/55/552321155.db2.gz	LZAGBMQNSUZWNR-UHFFFAOYSA-N	0	0	526.567	3.234	50	0		KGAARN
C[C@H]1CCc2nc3ccccc3c(C(=O)OCC(=O)Nc3ccc(S(=O)(=O)N4CCOCC4)cc3)c2C1	ZINC000003248996	552321692	/nfs/dbraw/zinc/32/16/92/552321692.db2.gz	BXXJYUILSUNPQW-SFHVURJKSA-N	0	0	523.611	3.176	50	0		KGAARN
C[C@@H]1CCc2nc3ccccc3c(C(=O)OCC(=O)Nc3ccc(S(=O)(=O)N4CCOCC4)cc3)c2C1	ZINC000003248997	552321659	/nfs/dbraw/zinc/32/16/59/552321659.db2.gz	BXXJYUILSUNPQW-GOSISDBHSA-N	0	0	523.611	3.176	50	0		KGAARN
O=C(COC(=O)c1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1)c1ccc2c(c1)NC(=O)CO2	ZINC000003250920	552322174	/nfs/dbraw/zinc/32/21/74/552322174.db2.gz	DMEBSQVEUNCRRP-UHFFFAOYSA-N	0	0	502.451	3.136	50	0		KGAARN
CCN(CC)S(=O)(=O)c1ccc2oc(SCC(=O)Nc3ccc(N4CCOCC4)cc3)nc2c1	ZINC000003250923	552322249	/nfs/dbraw/zinc/32/22/49/552322249.db2.gz	MFALEKBFXCVUPH-UHFFFAOYSA-N	0	0	504.634	3.426	50	0		KGAARN
CCN(C(=O)COC(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1)c1cccc2ccccc21	ZINC000003252327	552322905	/nfs/dbraw/zinc/32/29/05/552322905.db2.gz	WOFOEIJSOFAFLU-UHFFFAOYSA-N	0	0	502.614	3.061	50	0		KGAARN
COc1cc(OC)c(N(C)S(=O)(=O)c2cccc(C(=O)OCC(=O)NCc3ccco3)c2)cc1Cl	ZINC000003254295	552323740	/nfs/dbraw/zinc/32/37/40/552323740.db2.gz	JOYCOQORIUSAJM-UHFFFAOYSA-N	0	0	522.963	3.249	50	0		KGAARN
O=C(COC(=O)c1cccc(S(=O)(=O)Nc2ccc(Br)cc2)c1)NCc1ccc2c(c1)OCO2	ZINC000003256880	552324277	/nfs/dbraw/zinc/32/42/77/552324277.db2.gz	ZCLVEHFRNVGYDC-UHFFFAOYSA-N	0	0	547.383	3.452	50	0		KGAARN
Cc1ccccc1Nc1nnc(SCC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)s1	ZINC000003258600	552324779	/nfs/dbraw/zinc/32/47/79/552324779.db2.gz	BZVXKLJZPXZYQQ-UHFFFAOYSA-N	0	0	505.647	3.342	50	0		KGAARN
O=C(COC(=O)c1cccc(S(=O)(=O)N2CCCc3ccccc32)c1)c1ccc2c(c1)NC(=O)CO2	ZINC000003259349	552325288	/nfs/dbraw/zinc/32/52/88/552325288.db2.gz	GSVQEJVIEPHLBK-UHFFFAOYSA-N	0	0	506.536	3.199	50	0		KGAARN
O=C(COC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1)c1ccc2c(c1)NC(=O)CO2	ZINC000003260824	552326306	/nfs/dbraw/zinc/32/63/06/552326306.db2.gz	ALEJAOUENLMNNW-UHFFFAOYSA-N	0	0	506.964	3.275	50	0		KGAARN
COc1ccc(-c2csc(NC(=S)NC(=O)C=Cc3ccc(S(=O)(=O)N4CCOCC4)cc3)n2)cc1	ZINC000003264780	552328128	/nfs/dbraw/zinc/32/81/28/552328128.db2.gz	MPBKKGRNPYVEKY-NYYWCZLTSA-N	0	0	544.680	3.366	50	0		KGAARN
Cc1c(NC(=O)COc2ccc(N(C)S(=O)(=O)c3cccs3)cc2)c(=O)n(-c2ccccc2)n1C	ZINC000003265118	552328055	/nfs/dbraw/zinc/32/80/55/552328055.db2.gz	XYQIWNISGVZODY-UHFFFAOYSA-N	0	0	512.613	3.389	50	0		KGAARN
COC(=O)c1ccccc1NC(=O)c1cccc(S(=O)(=O)N(C)c2c(C)n(C)n(-c3ccccc3)c2=O)c1	ZINC000003265735	552328605	/nfs/dbraw/zinc/32/86/05/552328605.db2.gz	JYWWWMWBYOWYRA-UHFFFAOYSA-N	0	0	534.594	3.348	50	0		KGAARN
O=C(COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1cccs1)NCc1ccc2c(c1)OCO2	ZINC000003266417	552329149	/nfs/dbraw/zinc/32/91/49/552329149.db2.gz	CCPZGIPMZFPXNE-FQEVSTJZSA-N	0	0	505.552	3.159	50	0		KGAARN
COCCN(C(=O)CN1C(=O)c2ccccc2C1=O)[C@@]1(C(=O)Nc2ccc(F)cc2)CCc2ccccc2C1	ZINC000003268241	552330808	/nfs/dbraw/zinc/33/08/08/552330808.db2.gz	JTFDQSGWKIBEOC-PMERELPUSA-N	0	0	529.568	3.463	50	0		KGAARN
COCCN(C(=O)CN1C(=O)c2ccccc2C1=O)[C@]1(C(=O)Nc2ccc(F)cc2)CCc2ccccc2C1	ZINC000003268243	552330824	/nfs/dbraw/zinc/33/08/24/552330824.db2.gz	JTFDQSGWKIBEOC-SSEXGKCCSA-N	0	0	529.568	3.463	50	0		KGAARN
O=C(COC(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1)NCc1ccc(Cl)cc1	ZINC000003271414	552332029	/nfs/dbraw/zinc/33/20/29/552332029.db2.gz	YJTTWKIYTMAFGN-UHFFFAOYSA-N	0	0	516.959	3.385	50	0		KGAARN
CSCC[C@H](NS(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)OCC(=O)Nc1cc(Cl)cc(Cl)c1	ZINC000003271848	552332124	/nfs/dbraw/zinc/33/21/24/552332124.db2.gz	GGKJLPASFISRFA-KRWDZBQOSA-N	0	0	549.454	3.347	50	0		KGAARN
CSCC[C@@H](NS(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)OCC(=O)Nc1cc(Cl)cc(Cl)c1	ZINC000003271849	552332008	/nfs/dbraw/zinc/33/20/08/552332008.db2.gz	GGKJLPASFISRFA-QGZVFWFLSA-N	0	0	549.454	3.347	50	0		KGAARN
Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1nc2c(s1)CN(Cc1ccccc1)CC2	ZINC000003271976	552332348	/nfs/dbraw/zinc/33/23/48/552332348.db2.gz	IYQKRIXTPTVSLG-UHFFFAOYSA-N	0	0	512.657	3.283	50	0		KGAARN
O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)Nc1nc2c(s1)CN(Cc1ccccc1)CC2	ZINC000003272055	552332296	/nfs/dbraw/zinc/33/22/96/552332296.db2.gz	NUCQOYHGUDLCBU-UHFFFAOYSA-N	0	0	526.684	3.294	50	0		KGAARN
Cc1ccc(C(=O)Nc2nc3c(s2)CN(Cc2ccccc2)CC3)cc1S(=O)(=O)N1CCOCC1	ZINC000003272058	552332387	/nfs/dbraw/zinc/33/23/87/552332387.db2.gz	DOZCJZHRZRHURC-UHFFFAOYSA-N	0	0	512.657	3.283	50	0		KGAARN
O=C(COC(=O)C[C@@H]1c2ccccc2CCN1S(=O)(=O)c1ccccc1)Nc1ccc2c(c1)OCCO2	ZINC000003272416	552332531	/nfs/dbraw/zinc/33/25/31/552332531.db2.gz	CCIQQBLCPCVMLZ-HSZRJFAPSA-N	0	0	522.579	3.318	50	0		KGAARN
O=C(COC(=O)C[C@H]1c2ccccc2CCN1S(=O)(=O)c1ccccc1)Nc1ccc2c(c1)OCCO2	ZINC000003272418	552332561	/nfs/dbraw/zinc/33/25/61/552332561.db2.gz	CCIQQBLCPCVMLZ-QHCPKHFHSA-N	0	0	522.579	3.318	50	0		KGAARN
O=C(COC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)Nc1nc(-c2ccccc2Cl)cs1	ZINC000003272474	552332514	/nfs/dbraw/zinc/33/25/14/552332514.db2.gz	APUMQUSQPPHSKN-UHFFFAOYSA-N	0	0	522.004	3.280	50	0	aggregator	KGAARN
O=C(COC(=O)CCCNS(=O)(=O)c1cccc2nsnc21)Nc1cc(Cl)cc(Cl)c1	ZINC000003273724	552333079	/nfs/dbraw/zinc/33/30/79/552333079.db2.gz	BUFPIIPXNJOIHX-UHFFFAOYSA-N	0	0	503.389	3.239	50	0		KGAARN
Cc1c(NC=C2c3ccccc3C(=O)N(c3ccc(S(=O)(=O)N4CCOCC4)cc3)C2=O)c(=O)n(-c2ccccc2)n1C	ZINC000003274514	552333348	/nfs/dbraw/zinc/33/33/48/552333348.db2.gz	XVISAWVPKYHUNA-NHFJDJAPSA-N	0	0	599.669	3.145	50	0		KGAARN
CCOC(=O)c1sc(N(Cc2ccccc2)C(=O)COC(=O)CN2C(=O)c3ccccc3C2=O)nc1C	ZINC000003274569	552333240	/nfs/dbraw/zinc/33/32/40/552333240.db2.gz	RXEPSYRHFBIBTK-UHFFFAOYSA-N	0	0	521.551	3.001	50	0		KGAARN
O=C(COC(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1)Nc1ccc(F)c(F)c1F	ZINC000003274583	552333300	/nfs/dbraw/zinc/33/33/00/552333300.db2.gz	PZCXGHBWYFYMQL-UHFFFAOYSA-N	0	0	522.457	3.471	50	0		KGAARN
Cc1cc(NC(=O)COC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)ccc1Br	ZINC000003275699	552333926	/nfs/dbraw/zinc/33/39/26/552333926.db2.gz	RADRJAKPPAQAAZ-UHFFFAOYSA-N	0	0	531.812	3.227	50	0		KGAARN
Cc1ccccc1-n1c(=O)c2ccccc2nc1SCC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1	ZINC000003275868	552334086	/nfs/dbraw/zinc/33/40/86/552334086.db2.gz	JIYTVAFBWQQJHU-UHFFFAOYSA-N	0	0	550.662	3.446	50	0		KGAARN
CS(=O)(=O)c1ccc2nc(NC(=O)c3cc(S(=O)(=O)N4CCOCC4)c(Cl)cc3Cl)sc2c1	ZINC000003276041	552334106	/nfs/dbraw/zinc/33/41/06/552334106.db2.gz	CJAJNAYKTYMETP-UHFFFAOYSA-N	0	0	550.467	3.280	50	0		KGAARN
Cc1c(NC(=O)COC(=O)C[C@H]2c3ccccc3CCN2S(=O)(=O)c2cccs2)c(=O)n(-c2ccccc2)n1C	ZINC000003276147	552334118	/nfs/dbraw/zinc/33/41/18/552334118.db2.gz	BLADJOLCIFCYBE-QHCPKHFHSA-N	0	0	580.688	3.406	50	0		KGAARN
Cc1c(NC(=O)COC(=O)C[C@@H]2c3ccccc3CCN2S(=O)(=O)c2cccs2)c(=O)n(-c2ccccc2)n1C	ZINC000003276149	552334112	/nfs/dbraw/zinc/33/41/12/552334112.db2.gz	BLADJOLCIFCYBE-HSZRJFAPSA-N	0	0	580.688	3.406	50	0		KGAARN
Cc1c(N(C)S(=O)(=O)c2cc(C(=O)NCc3ccco3)ccc2Cl)c(=O)n(-c2ccccc2)n1C	ZINC000003277549	552334573	/nfs/dbraw/zinc/33/45/73/552334573.db2.gz	VPYSNISBGUTONK-UHFFFAOYSA-N	0	0	514.991	3.486	50	0		KGAARN
O=C(CSc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)o1)Nc1c(F)c(F)c(F)c(F)c1F	ZINC000003277925	552334918	/nfs/dbraw/zinc/33/49/18/552334918.db2.gz	NUVVXYZWGLUARW-UHFFFAOYSA-N	0	0	550.487	3.184	50	0		KGAARN
O=S(=O)(c1ccc(Oc2nc(CN3CCOCC3)nc3sc4c(c32)CCC4)c(Cl)c1)N1CCOCC1	ZINC000003280582	552335853	/nfs/dbraw/zinc/33/58/53/552335853.db2.gz	WOADXGLVTXERAV-UHFFFAOYSA-N	0	0	551.090	3.479	50	0		KGAARN
O=C(CN1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1)Nc1cccc(I)c1	ZINC000003281863	552336152	/nfs/dbraw/zinc/33/61/52/552336152.db2.gz	XHIGIEUWPSZHQF-UHFFFAOYSA-N	0	0	535.407	3.389	50	0		KGAARN
CCOC(=O)c1sc2nc(CN3CCN(S(=O)(=O)c4cc(Cl)ccc4Cl)CC3)[nH]c(=O)c2c1C	ZINC000003282425	552336412	/nfs/dbraw/zinc/33/64/12/552336412.db2.gz	RFIMHPCYZYJTKG-UHFFFAOYSA-N	0	0	545.470	3.283	50	0		KGAARN
O=C(COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc(F)cc1)c1ccc2c(c1)NC(=O)CO2	ZINC000003286061	552337624	/nfs/dbraw/zinc/33/76/24/552337624.db2.gz	KJAWSBNKHCHBBN-QHCPKHFHSA-N	0	0	515.497	3.405	50	0		KGAARN
O=C(COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc(F)cc1)c1ccc2c(c1)NC(=O)CO2	ZINC000003286063	552337696	/nfs/dbraw/zinc/33/76/96/552337696.db2.gz	KJAWSBNKHCHBBN-HSZRJFAPSA-N	0	0	515.497	3.405	50	0		KGAARN
O=C(CSc1nnc(-c2cccc(S(=O)(=O)N3CCCCC3)c2)o1)c1ccc2c(c1)NC(=O)CO2	ZINC000003287712	552338433	/nfs/dbraw/zinc/33/84/33/552338433.db2.gz	CAEOKYPPVIGCCB-UHFFFAOYSA-N	0	0	514.585	3.217	50	0		KGAARN
Cc1c(NC(=O)[C@@H](C)OC(=O)[C@H](Cc2ccccc2)NC(=O)c2cccs2)c(=O)n(-c2ccccc2)n1C	ZINC000003289095	552339503	/nfs/dbraw/zinc/33/95/03/552339503.db2.gz	YBVRVSBBSPBUHY-KNQAVFIVSA-N	0	0	532.622	3.457	50	0		KGAARN
Cc1c(NC(=O)[C@H](C)OC(=O)[C@H](Cc2ccccc2)NC(=O)c2cccs2)c(=O)n(-c2ccccc2)n1C	ZINC000003289097	552339528	/nfs/dbraw/zinc/33/95/28/552339528.db2.gz	YBVRVSBBSPBUHY-UGKGYDQZSA-N	0	0	532.622	3.457	50	0		KGAARN
Cc1c(NS(=O)(=O)c2cc(C(=O)OCC(=O)N3CCC(C)CC3)ccc2Cl)c(=O)n(-c2ccccc2)n1C	ZINC000003289111	552339547	/nfs/dbraw/zinc/33/95/47/552339547.db2.gz	RRSWQLMAABCHIM-UHFFFAOYSA-N	0	0	561.060	3.354	50	0		KGAARN
Cc1c(NS(=O)(=O)c2cccc(C(=O)OCC(=O)N(C)C3CCCCC3)c2)c(=O)n(-c2ccccc2)n1C	ZINC000003289114	552339544	/nfs/dbraw/zinc/33/95/44/552339544.db2.gz	DDDBKMDXAQXLON-UHFFFAOYSA-N	0	0	540.642	3.233	50	0		KGAARN
Cc1c(NS(=O)(=O)c2cccc(C(=O)OCC(=O)N3CCCc4ccccc43)c2)c(=O)n(-c2ccccc2)n1C	ZINC000003289119	552339443	/nfs/dbraw/zinc/33/94/43/552339443.db2.gz	ZGCLGHGYAZVDRP-UHFFFAOYSA-N	0	0	560.632	3.421	50	0		KGAARN
O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NC(=S)Nc1ccc(Br)cc1F	ZINC000003292820	552341270	/nfs/dbraw/zinc/34/12/70/552341270.db2.gz	XHKJIWSGNDHJKS-UHFFFAOYSA-N	0	0	530.441	3.055	50	0		KGAARN
CC[C@@H](C)c1ccc(-c2cc(C(=O)OCC(=O)c3c(N)n(C)c(=O)n(C)c3=O)c3ccccc3n2)cc1	ZINC000003294041	552341844	/nfs/dbraw/zinc/34/18/44/552341844.db2.gz	NTNUCHRMJRHPNU-MRXNPFEDSA-N	0	0	500.555	3.435	50	0		KGAARN
CC[C@H](C)c1ccc(-c2cc(C(=O)OCC(=O)c3c(N)n(C)c(=O)n(C)c3=O)c3ccccc3n2)cc1	ZINC000003294043	552341824	/nfs/dbraw/zinc/34/18/24/552341824.db2.gz	NTNUCHRMJRHPNU-INIZCTEOSA-N	0	0	500.555	3.435	50	0		KGAARN
COc1ccc(C(=O)OCC(=O)Nc2cccnc2Cl)cc1S(=O)(=O)N(C)Cc1ccccc1	ZINC000003295338	552342765	/nfs/dbraw/zinc/34/27/65/552342765.db2.gz	CITJRIYQYWPNPK-UHFFFAOYSA-N	0	0	503.964	3.360	50	0		KGAARN
COc1cc(C=CC(=O)OCC(=O)c2ccc3c(c2)NC(=O)CO3)cc(S(=O)(=O)N2CCc3ccccc32)c1OC	ZINC000003296790	552343539	/nfs/dbraw/zinc/34/35/39/552343539.db2.gz	SQPLRABAHWGFBN-JXMROGBWSA-N	0	0	578.599	3.225	50	0		KGAARN
O=C(COC(=O)[C@H]1CCCCN1S(=O)(=O)c1cccc2nsnc21)c1ccccc1Br	ZINC000003297083	552343469	/nfs/dbraw/zinc/34/34/69/552343469.db2.gz	TVKDQQNXNSNGCE-MRXNPFEDSA-N	0	0	524.418	3.423	50	0		KGAARN
O=C(COC(=O)[C@@H]1CCCCN1S(=O)(=O)c1cccc2nsnc21)c1ccccc1Br	ZINC000003297085	552343507	/nfs/dbraw/zinc/34/35/07/552343507.db2.gz	TVKDQQNXNSNGCE-INIZCTEOSA-N	0	0	524.418	3.423	50	0		KGAARN
Cc1ccc(S(=O)(=O)NCC(=O)NCC(=O)OCC(=O)c2c3ccccc3n(C)c2-c2ccccc2)cc1C	ZINC000003298391	552344704	/nfs/dbraw/zinc/34/47/04/552344704.db2.gz	GXRKFOCEWWKAMP-UHFFFAOYSA-N	0	0	547.633	3.283	50	0		KGAARN
Cc1c(N(C)S(=O)(=O)c2cc(C(=O)OCC(=O)N3CCC(C)CC3)ccc2Cl)c(=O)n(-c2ccccc2)n1C	ZINC000003298413	552344950	/nfs/dbraw/zinc/34/49/50/552344950.db2.gz	DOWYJKOFJIYPPF-UHFFFAOYSA-N	0	0	575.087	3.378	50	0		KGAARN
O=C(CN(CC(=O)Nc1ccc2c(c1)OCO2)S(=O)(=O)c1ccc(Br)s1)Nc1ccc2c(c1)OCO2	ZINC000003298461	552344913	/nfs/dbraw/zinc/34/49/13/552344913.db2.gz	GOGKHEZVGFTJLF-UHFFFAOYSA-N	0	0	596.437	3.236	50	0		KGAARN
CCOc1ccc(N2C(=O)c3ccc(C(=O)OCC(=O)NCc4ccc5c(c4)OCO5)cc3C2=O)cc1	ZINC000003299126	552345133	/nfs/dbraw/zinc/34/51/33/552345133.db2.gz	LAZFMEPYDHVMAP-UHFFFAOYSA-N	0	0	502.479	3.088	50	0		KGAARN
CC(=O)c1ccc(NC(=O)[C@@H](C)OC(=O)c2ccc(NS(=O)(=O)c3ccc4[nH]c(=O)[nH]c4c3)cc2)cc1	ZINC000003299756	552345490	/nfs/dbraw/zinc/34/54/90/552345490.db2.gz	HTGBNEWCHAXMAO-OAHLLOKOSA-N	0	0	522.539	3.044	50	0		KGAARN
CCOC(=O)c1ccccc1NC(=O)COC(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1	ZINC000003300245	552345611	/nfs/dbraw/zinc/34/56/11/552345611.db2.gz	CJWOIBOMGZMCBH-UHFFFAOYSA-N	0	0	540.550	3.231	50	0		KGAARN
Cc1c(N(C)S(=O)(=O)c2cccc(C(=O)Nc3ccc4c(c3)OCO4)c2)c(=O)n(-c2ccccc2)n1C	ZINC000003301449	552346200	/nfs/dbraw/zinc/34/62/00/552346200.db2.gz	QCDYAWJMSSMNCL-UHFFFAOYSA-N	0	0	520.567	3.291	50	0		KGAARN
Cc1ccc(NC(=O)COC(=O)c2cc(S(=O)(=O)N(C)C)ccc2N2CCCC2)c(Br)c1	ZINC000003302179	552346748	/nfs/dbraw/zinc/34/67/48/552346748.db2.gz	KFJRDQQJZUWZMT-UHFFFAOYSA-N	0	0	524.437	3.404	50	0		KGAARN
Cc1ccc(C)c(C(=O)COC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2N2CCOCC2)c1	ZINC000003302440	552346992	/nfs/dbraw/zinc/34/69/92/552346992.db2.gz	MZCCXNDIYZRLJC-UHFFFAOYSA-N	0	0	500.617	3.354	50	0		KGAARN
Cc1ccc(S(=O)(=O)N(C)c2ccc(OC(=O)c3cccc(S(=O)(=O)N4CCOCC4)c3)cc2)cc1	ZINC000003303048	552347239	/nfs/dbraw/zinc/34/72/39/552347239.db2.gz	GHRSDRJYLUHUKK-UHFFFAOYSA-N	0	0	530.624	3.060	50	0		KGAARN
COCCN(C(=O)CSc1ncc(C(F)(F)F)cc1Cl)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	ZINC000003303128	552347214	/nfs/dbraw/zinc/34/72/14/552347214.db2.gz	IRZIKDFRYPUJRB-UHFFFAOYSA-N	0	0	543.955	3.006	50	0		KGAARN
CC(=O)Nc1sc2c(c1C(=O)OCC(=O)Nc1ccc(S(=O)(=O)N3CCCC3)cc1)CCCC2	ZINC000003304081	552347777	/nfs/dbraw/zinc/34/77/77/552347777.db2.gz	PJKJVNVRTHLDFF-UHFFFAOYSA-N	0	0	505.618	3.165	50	0		KGAARN
NS(=O)(=O)c1ccc(CCNC(=O)CSc2nnc(-c3ccccc3F)n2CCc2ccccc2)cc1	ZINC000003304763	552348422	/nfs/dbraw/zinc/34/84/22/552348422.db2.gz	NPTXMGXZXJHBQF-UHFFFAOYSA-N	0	0	539.658	3.425	50	0		KGAARN
CCOc1ccc2nc(NC(=S)NC(=O)C=Cc3ccc(S(=O)(=O)N4CCOCC4)cc3)sc2c1	ZINC000003304775	552348456	/nfs/dbraw/zinc/34/84/56/552348456.db2.gz	HJDSOVXZCGTKAF-BJMVGYQFSA-N	0	0	532.669	3.242	50	0		KGAARN
Cc1cc(NC(=S)NC(=O)C=Cc2ccc(S(=O)(=O)N3CCOCC3)cc2)ccc1Br	ZINC000003305760	552349005	/nfs/dbraw/zinc/34/90/05/552349005.db2.gz	OLNNQWPGUSFGCB-RUDMXATFSA-N	0	0	524.462	3.305	50	0		KGAARN
COCCCN(C(=S)NC(=O)c1ccc(C(C)(C)C)cc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	ZINC000003306783	552349546	/nfs/dbraw/zinc/34/95/46/552349546.db2.gz	LFJHJOQLGZKPCB-UHFFFAOYSA-N	0	0	523.659	3.022	50	0		KGAARN
O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)OCc1nc2scc(-c3ccccc3)c2c(=O)[nH]1	ZINC000003307347	552349503	/nfs/dbraw/zinc/34/95/03/552349503.db2.gz	NXEJRQWIQIRETF-UHFFFAOYSA-N	0	0	539.635	3.349	50	0		KGAARN
Cc1ccc(S(=O)(=O)N2CCN(C(=O)COc3ncnc4sc5c(c43)CC[C@H](C)C5)CC2)c(C)c1	ZINC000003307503	552349811	/nfs/dbraw/zinc/34/98/11/552349811.db2.gz	NCZBKHFJQYBOIA-KRWDZBQOSA-N	0	0	514.673	3.345	50	0		KGAARN
Cc1ccc(S(=O)(=O)N2CCN(C(=O)COc3ncnc4sc5c(c43)CC[C@@H](C)C5)CC2)c(C)c1	ZINC000003307504	552349826	/nfs/dbraw/zinc/34/98/26/552349826.db2.gz	NCZBKHFJQYBOIA-QGZVFWFLSA-N	0	0	514.673	3.345	50	0		KGAARN
COCCN(C(=O)CN1C(=O)c2ccccc2C1=O)[C@@]1(C(=O)Nc2ccccc2)CCc2ccccc2C1	ZINC000003311052	552352007	/nfs/dbraw/zinc/35/20/07/552352007.db2.gz	MQDCCXOHIGJWKM-PMERELPUSA-N	0	0	511.578	3.324	50	0		KGAARN
COCCN(C(=O)CN1C(=O)c2ccccc2C1=O)[C@]1(C(=O)Nc2ccccc2)CCc2ccccc2C1	ZINC000003311055	552351952	/nfs/dbraw/zinc/35/19/52/552351952.db2.gz	MQDCCXOHIGJWKM-SSEXGKCCSA-N	0	0	511.578	3.324	50	0		KGAARN
O=C(COC(=O)c1cccc(S(=O)(=O)N2CCCc3ccccc32)c1)NCc1ccc2c(c1)OCO2	ZINC000003312238	552352518	/nfs/dbraw/zinc/35/25/18/552352518.db2.gz	TVYOSHCLEYLDTM-UHFFFAOYSA-N	0	0	508.552	3.030	50	0		KGAARN
CCOC(=O)c1ccc(S(=O)(=O)N2CCN(Cn3nc4c(Cl)cc(Cl)cn4c3=S)CC2)cc1	ZINC000003312353	552352502	/nfs/dbraw/zinc/35/25/02/552352502.db2.gz	MUTOKCRUPZFJEV-UHFFFAOYSA-N	0	0	530.459	3.313	50	0		KGAARN
COc1ccc(NC(=O)COC(=O)c2ccc(S(=O)(=O)N(C)c3ccccc3OC)cc2)cc1OC	ZINC000003313856	552352902	/nfs/dbraw/zinc/35/29/02/552352902.db2.gz	ZJYSOOXEBSYNOE-UHFFFAOYSA-N	0	0	514.556	3.333	50	0		KGAARN
Cc1ccccc1-n1c(SCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)nnc1-c1ccc(C(C)(C)C)cc1	ZINC000003314142	552352951	/nfs/dbraw/zinc/35/29/51/552352951.db2.gz	SMUBHIMVDFSROM-UHFFFAOYSA-N	0	0	518.643	3.495	50	0		KGAARN
COc1cc2c(cc1NC(=O)COC(=O)Cc1ccc(S(=O)(=O)N3CCOCC3)s1)oc1ccccc12	ZINC000003318357	552354508	/nfs/dbraw/zinc/35/45/08/552354508.db2.gz	GUYDZOGIXUIXFQ-UHFFFAOYSA-N	0	0	544.607	3.401	50	0		KGAARN
COCCN(CCOC)C(=O)CSC1=N/C(=C\c2ccc3c(c2)OCO3)C(=O)N1c1ccc(C)cc1	ZINC000003318927	552354715	/nfs/dbraw/zinc/35/47/15/552354715.db2.gz	WUXGJGWNPVGFRS-STZFKDTASA-N	0	0	511.600	3.322	50	0		KGAARN
Cn1c(N)c(C(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2-c2ccccc2)c(=O)n(C)c1=O	ZINC000003319727	552355013	/nfs/dbraw/zinc/35/50/13/552355013.db2.gz	ISASUWKQQNDLJV-UHFFFAOYSA-N	0	0	504.616	3.186	50	0		KGAARN
COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)OCC(=O)Nc2cc3oc4ccccc4c3cc2OC)cc1	ZINC000003323933	552356317	/nfs/dbraw/zinc/35/63/17/552356317.db2.gz	FVINIAPIAURDPV-HNNXBMFYSA-N	0	0	512.540	3.452	50	0		KGAARN
Cn1c(=O)c2c(-c3cccs3)csc2nc1SCC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1	ZINC000003325605	552357073	/nfs/dbraw/zinc/35/70/73/552357073.db2.gz	DNUIECPEZLTBCF-UHFFFAOYSA-N	0	0	562.720	3.475	50	0		KGAARN
O=C(COc1ncnc2scc(-c3ccccc3)c21)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1	ZINC000003329696	552358801	/nfs/dbraw/zinc/35/88/01/552358801.db2.gz	MNEAFLBLUFBBOA-UHFFFAOYSA-N	0	0	510.597	3.397	50	0		KGAARN
O=C(CN1c2cccc3cccc(c23)S1(=O)=O)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1	ZINC000003330290	552358976	/nfs/dbraw/zinc/35/89/76/552358976.db2.gz	BJZWZNDJKIEQEN-UHFFFAOYSA-N	0	0	521.620	3.035	50	0		KGAARN
O=C(COC(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)Nc1ccc(Cl)cc1C(F)(F)F	ZINC000003330511	552359283	/nfs/dbraw/zinc/35/92/83/552359283.db2.gz	QMMOKXQHFSZSLY-UHFFFAOYSA-N	0	0	524.876	3.314	50	0		KGAARN
Cc1ccc(N2C(=O)/C(=C/c3ccc(C(C)C)cc3)N=C2SCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)cc1	ZINC000003330678	1059661562	/nfs/dbraw/zinc/66/15/62/1059661562.db2.gz	RHFQQYPHOMZWNT-STZFKDTASA-N	0	0	531.638	3.458	50	0		KGAARN
O=C(Nc1nnc(-c2ccccc2)c(-c2ccccc2)n1)c1ccc(S(=O)(=O)N2CCOCC2)cc1	ZINC000003331770	552359543	/nfs/dbraw/zinc/35/95/43/552359543.db2.gz	ZWACTMOUBICYMV-UHFFFAOYSA-N	0	0	501.568	3.479	50	0		KGAARN
COc1cccc(N2C(=O)/C(=C\c3ccc(C(C)C)cc3)N=C2SCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)c1	ZINC000003332178	1059661504	/nfs/dbraw/zinc/66/15/04/1059661504.db2.gz	SBSIKQUCINTFNC-FYJGNVAPSA-N	0	0	547.637	3.158	50	0		KGAARN
COc1cccc(N2C(=O)/C(=C/c3ccc(C(C)C)cc3)N=C2SCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)c1	ZINC000003332180	552359819	/nfs/dbraw/zinc/35/98/19/552359819.db2.gz	SBSIKQUCINTFNC-BKUYFWCQSA-N	0	0	547.637	3.158	50	0		KGAARN
O=C(CSc1nn(-c2ccccc2)c(=S)s1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1	ZINC000003332199	552359817	/nfs/dbraw/zinc/35/98/17/552359817.db2.gz	IVBCTIVNEBOZNE-UHFFFAOYSA-N	0	0	508.672	3.415	50	0		KGAARN
Cc1ccc(NS(=O)(=O)c2cc(C(=O)O[C@@H](C)C(=O)N3CCN(C(=O)c4ccco4)CC3)ccc2C)cc1	ZINC000003333396	552360333	/nfs/dbraw/zinc/36/03/33/552360333.db2.gz	SEIWLEHRNRFADV-FQEVSTJZSA-N	0	0	539.610	3.227	50	0		KGAARN
CCOc1ccc(N2C(=O)c3ccc(C(=O)OCC(=O)Nc4ccc5c(c4)OCCO5)cc3C2=O)cc1	ZINC000003334330	552360572	/nfs/dbraw/zinc/36/05/72/552360572.db2.gz	QUOFKPKFDGJHBI-UHFFFAOYSA-N	0	0	502.479	3.453	50	0		KGAARN
COC(=O)c1ccccc1S(=O)(=O)N(CC(=O)Nc1ccc(C)cc1)CC(=O)Nc1ccc(C)cc1	ZINC000003335841	552361056	/nfs/dbraw/zinc/36/10/56/552361056.db2.gz	HCCZXINUPMECAH-UHFFFAOYSA-N	0	0	509.584	3.358	50	0		KGAARN
CCOC(=O)c1c(C)[nH]c(C)c1C(=O)Cn1c(=O)c2c(ncn2Cc2ccccc2)n(Cc2ccccc2)c1=O	ZINC000003336634	552361324	/nfs/dbraw/zinc/36/13/24/552361324.db2.gz	NLIJETOSXMWPLP-UHFFFAOYSA-N	0	0	539.592	3.461	50	0		KGAARN
Cc1ccccc1N1C(=O)c2ccc(C(=O)O[C@@H](C)C(=O)Nc3ccc(S(=O)(=O)N4CCOCC4)cc3)cc2C1=O	ZINC000003337693	552361673	/nfs/dbraw/zinc/36/16/73/552361673.db2.gz	OVJRTYYAMAXHSM-IBGZPJMESA-N	0	0	577.615	3.001	50	0		KGAARN
Cc1ccccc1N1C(=O)c2ccc(C(=O)O[C@H](C)C(=O)Nc3ccc(S(=O)(=O)N4CCOCC4)cc3)cc2C1=O	ZINC000003337695	552361750	/nfs/dbraw/zinc/36/17/50/552361750.db2.gz	OVJRTYYAMAXHSM-LJQANCHMSA-N	0	0	577.615	3.001	50	0		KGAARN
COC(=O)c1cc(-c2ccc(Cl)cc2)nn1C(=S)c1cccc(S(=O)(=O)N2CCOCC2)c1	ZINC000003338856	552362242	/nfs/dbraw/zinc/36/22/42/552362242.db2.gz	BRDLYWOUYWLJJY-UHFFFAOYSA-N	0	0	506.005	3.235	50	0		KGAARN
COc1cc(S(=O)(=O)N2CCOCC2)cc(C(=O)OCC(=O)c2ccc(Cl)cc2Cl)c1OC	ZINC000003340104	552362761	/nfs/dbraw/zinc/36/27/61/552362761.db2.gz	QXIGHZVEJZQFIV-UHFFFAOYSA-N	0	0	518.371	3.071	50	0		KGAARN
CCN(C(=O)CSc1nc2sc3c(c2c(=O)n1CCc1ccccc1)CCC3)[C@@H]1CCS(=O)(=O)C1	ZINC000003341262	552362964	/nfs/dbraw/zinc/36/29/64/552362964.db2.gz	RARZEADIBFYZOF-GOSISDBHSA-N	0	0	531.725	3.317	50	0		KGAARN
COc1ccc(C(=O)COC(=O)c2cc(S(=O)(=O)N3CCOCC3)c(Cl)cc2Cl)c(OC)c1	ZINC000003342086	552363585	/nfs/dbraw/zinc/36/35/85/552363585.db2.gz	XYZBGDJHFIPIDN-UHFFFAOYSA-N	0	0	518.371	3.071	50	0		KGAARN
CCOC(=O)c1ccc(NC(=O)c2c([S-])n(-c3ccc(C)c(C)c3)c3cc(C(=O)NCCO)cc[n+]32)cc1	ZINC000003342684	552363659	/nfs/dbraw/zinc/36/36/59/552363659.db2.gz	ABMNVZUCROCQPO-UHFFFAOYSA-O	0	0	533.630	3.273	50	0		KGAARN
O=C(Nc1ccc(OC(F)F)cc1)c1c([S-])n(Cc2cccs2)c2cc(C(=O)NCCO)cc[n+]21	ZINC000003342718	552363687	/nfs/dbraw/zinc/36/36/87/552363687.db2.gz	JLTAGXBFYRIGNH-UHFFFAOYSA-O	0	0	519.575	3.201	50	0		KGAARN
CCOc1ccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)O[C@H](C)C(=O)Nc3ccc(S(N)(=O)=O)cc3)c2)cc1	ZINC000003343233	552363697	/nfs/dbraw/zinc/36/36/97/552363697.db2.gz	LZQVRPUSUMRRKR-OAHLLOKOSA-N	0	0	582.056	3.371	50	0		KGAARN
COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(C(=O)COC(=O)c1ccc(S(=O)(=O)N(C)C)cc1)CC2	ZINC000003347746	552365722	/nfs/dbraw/zinc/36/57/22/552365722.db2.gz	XLKBJSXJKOLVSA-HHHXNRCGSA-N	0	0	538.622	3.285	50	0		KGAARN
COc1cc2c(cc1OC)[C@H](c1ccccc1)N(C(=O)COC(=O)c1ccc(S(=O)(=O)N(C)C)cc1)CC2	ZINC000003347747	552365678	/nfs/dbraw/zinc/36/56/78/552365678.db2.gz	XLKBJSXJKOLVSA-MHZLTWQESA-N	0	0	538.622	3.285	50	0		KGAARN
CCc1cccc2c(C(=O)COC(=O)C=Cc3ccc(OC)c(S(=O)(=O)N4CCOCC4)c3)c[nH]c21	ZINC000003347928	552365655	/nfs/dbraw/zinc/36/56/55/552365655.db2.gz	LOGAJPMZDFOUIH-CSKARUKUSA-N	0	0	512.584	3.199	50	0		KGAARN
CC1(C)C(=O)Nc2ccccc2N1C(=O)COC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1	ZINC000003348052	552365980	/nfs/dbraw/zinc/36/59/80/552365980.db2.gz	ZDJDXNBDSKRKJQ-UHFFFAOYSA-N	0	0	520.007	3.435	50	0		KGAARN
NC(=O)c1c(NC(=O)COC(=O)c2ccc(S(=O)(=O)Nc3ccccc3)cc2)sc2c1CCCC2	ZINC000003348581	552366178	/nfs/dbraw/zinc/36/61/78/552366178.db2.gz	IAPKHIUXQCQXMW-UHFFFAOYSA-N	0	0	513.597	3.322	50	0		KGAARN
O=C(COC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)Nc1cccc(Cl)c1Cl	ZINC000003348678	552366233	/nfs/dbraw/zinc/36/62/33/552366233.db2.gz	KWKVOOBQPORQFI-UHFFFAOYSA-N	0	0	507.779	3.463	50	0		KGAARN
COc1cccc(-n2c(SCC(=O)NCC(C)C)nnc2-c2cccc(S(=O)(=O)N(C)C)c2)c1	ZINC000003349163	552366564	/nfs/dbraw/zinc/36/65/64/552366564.db2.gz	JLRUBDQYEPVKST-UHFFFAOYSA-N	0	0	503.650	3.058	50	0		KGAARN
Cn1c(N)c(C(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2Cc2ccccc2)c(=O)n(C)c1=O	ZINC000003351807	552367387	/nfs/dbraw/zinc/36/73/87/552367387.db2.gz	LILFBDBGASMXOC-UHFFFAOYSA-N	0	0	518.643	3.246	50	0		KGAARN
COc1ccc(N2C(=O)/C(=C/c3cccs3)N=C2SCC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1Cl	ZINC000003352066	552367600	/nfs/dbraw/zinc/36/76/00/552367600.db2.gz	XBSJKUSFHWVBIW-OMJMQIJPSA-N	0	0	526.061	3.190	50	0		KGAARN
Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)OCC(=O)NCc3ccc(S(N)(=O)=O)cc3)cc12	ZINC000003354093	552367946	/nfs/dbraw/zinc/36/79/46/552367946.db2.gz	IXDQYQGASZALHJ-UHFFFAOYSA-N	0	0	519.004	3.169	50	0		KGAARN
CCCCN(C(=O)CSc1nnc(-c2ccccc2)o1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	ZINC000003355573	552368722	/nfs/dbraw/zinc/36/87/22/552368722.db2.gz	NRKIJVFIIFKTLY-UHFFFAOYSA-N	0	0	506.588	3.143	50	0		KGAARN
Cc1ccc(-c2nnc(SCC(=O)c3c(N)n(C)c(=O)n(C)c3=O)n2-c2ccccc2C(C)C)cc1	ZINC000003356039	552369046	/nfs/dbraw/zinc/36/90/46/552369046.db2.gz	LLAKHJMKFMNLGX-UHFFFAOYSA-N	0	0	504.616	3.321	50	0		KGAARN
Cn1c(N)c(C(=O)CSc2nnc(-c3c[nH]c4ccccc43)n2-c2ccc(Cl)cc2)c(=O)n(C)c1=O	ZINC000003356046	552369058	/nfs/dbraw/zinc/36/90/58/552369058.db2.gz	LNQFFCZNOQOOJN-UHFFFAOYSA-N	0	0	521.990	3.024	50	0		KGAARN
COc1ccc(-c2nnc(SCC(=O)c3c(N)n(C)c(=O)n(C)c3=O)n2-c2ccccc2C(C)C)cc1	ZINC000003356049	552369031	/nfs/dbraw/zinc/36/90/31/552369031.db2.gz	JRNPPBFJAKQJDE-UHFFFAOYSA-N	0	0	520.615	3.021	50	0		KGAARN
O=C(COC(=O)c1ccc2[nH]c3c(c2c1)CCCC3)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1	ZINC000003356099	552369084	/nfs/dbraw/zinc/36/90/84/552369084.db2.gz	XFVAHORWLPMVTJ-UHFFFAOYSA-N	0	0	516.019	3.390	50	0		KGAARN
CCOC(=O)c1cc(-c2ccc(Cl)s2)nc2c1c(=O)n(CC(=O)OC)c(=O)n2Cc1ccccc1	ZINC000003356390	552369259	/nfs/dbraw/zinc/36/92/59/552369259.db2.gz	RNBOYROFXYUITD-UHFFFAOYSA-N	0	0	513.959	3.338	50	0		KGAARN
O=C(COC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCC1)c1c[nH]c2ccccc21	ZINC000003358206	552369829	/nfs/dbraw/zinc/36/98/29/552369829.db2.gz	GJZGMUIWBJUVSX-UHFFFAOYSA-N	0	0	511.600	3.219	50	0		KGAARN
COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1C(=O)OCC(=O)N1c2ccccc2NC(=O)C1(C)C	ZINC000003358479	552370117	/nfs/dbraw/zinc/37/01/17/552370117.db2.gz	KFQYPSCHIPTQHV-UHFFFAOYSA-N	0	0	549.605	3.367	50	0		KGAARN
COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)O[C@@H](C)C(=O)Nc1ccc2c(c1)OCCO2	ZINC000003358496	552370038	/nfs/dbraw/zinc/37/00/38/552370038.db2.gz	RAEXEIPUCFYPGR-KRWDZBQOSA-N	0	0	518.588	3.215	50	0		KGAARN
COc1ccccc1-n1c(COc2ccccc2-c2ccccc2)nnc1SCC(=O)c1c(N)n(C)c(=O)n(C)c1=O	ZINC000003359189	552370339	/nfs/dbraw/zinc/37/03/39/552370339.db2.gz	AEEUNYVMLYZVQL-UHFFFAOYSA-N	0	0	584.658	3.477	50	0		KGAARN
Cc1nn(-c2ccccc2)c2nc(-c3ccccc3)cc(C(=O)OCC(=O)N(C)[C@@H]3CCS(=O)(=O)C3)c12	ZINC000003360883	552370893	/nfs/dbraw/zinc/37/08/93/552370893.db2.gz	XAYZXRMYECPZRC-OAQYLSRUSA-N	0	0	518.595	3.198	50	0		KGAARN
O=C(CSc1nnc(-c2ccccc2Br)n1Cc1ccccc1)N[C@@H]1CCS(=O)(=O)C1	ZINC000003361146	552371248	/nfs/dbraw/zinc/37/12/48/552371248.db2.gz	HWCMBOXXZDZAFI-MRXNPFEDSA-N	0	0	521.462	3.151	50	0		KGAARN
Cc1nn(-c2ccccc2)c2nc(-c3cccs3)cc(C(=O)OCC(=O)N(C)[C@@H]3CCS(=O)(=O)C3)c12	ZINC000003361926	552371419	/nfs/dbraw/zinc/37/14/19/552371419.db2.gz	DMOGEKHWZGRSHH-GOSISDBHSA-N	0	0	524.624	3.260	50	0		KGAARN
CCN(C(=O)CSC1=N/C(=C/c2ccco2)C(=O)N1c1ccc(OC)c(Cl)c1)[C@@H]1CCS(=O)(=O)C1	ZINC000003361933	552371484	/nfs/dbraw/zinc/37/14/84/552371484.db2.gz	QLROSTCHJKQOIE-PUMYGXPMSA-N	0	0	538.047	3.454	50	0		KGAARN
CCOC(=O)c1c(C)c(C)sc1NC(=O)COC(=O)[C@H](C)NS(=O)(=O)c1ccc(Cl)cc1	ZINC000003362155	552371748	/nfs/dbraw/zinc/37/17/48/552371748.db2.gz	VLNRNASKMUJIPT-LBPRGKRZSA-N	0	0	502.998	3.044	50	0		KGAARN
COc1ccc(C(=O)OCC(=O)NCc2ccc3c(c2)OCO3)cc1S(=O)(=O)N1CCCc2ccccc21	ZINC000003362271	552371743	/nfs/dbraw/zinc/37/17/43/552371743.db2.gz	AGPQXWMANVJXFQ-UHFFFAOYSA-N	0	0	538.578	3.039	50	0		KGAARN
CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)OCC(=O)Nc1cc(Cl)ccc1Cl	ZINC000003362322	552371763	/nfs/dbraw/zinc/37/17/63/552371763.db2.gz	QSGAKOHQUJAAKW-FQEVSTJZSA-N	0	0	517.387	3.249	50	0		KGAARN
Cn1c(N)c(C(=O)CSc2nc3ccccc3c(=O)n2-c2ccc(Oc3ccccc3)cc2)c(=O)n(C)c1=O	ZINC000003362392	552371752	/nfs/dbraw/zinc/37/17/52/552371752.db2.gz	SXGBNWXDHXBLHC-UHFFFAOYSA-N	0	0	541.589	3.133	50	0		KGAARN
CCc1sc2nc(SCC(=O)N(CC)[C@@H]3CCS(=O)(=O)C3)n(-c3cccc(OC)c3)c(=O)c2c1C	ZINC000003362508	552371869	/nfs/dbraw/zinc/37/18/69/552371869.db2.gz	ULTNFJMWJPRHAT-QGZVFWFLSA-N	0	0	535.713	3.454	50	0		KGAARN
CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)OCC(=O)Nc1ccc(Cl)c(Cl)c1	ZINC000003362607	552371943	/nfs/dbraw/zinc/37/19/43/552371943.db2.gz	YUNNRSXESMKEFF-FQEVSTJZSA-N	0	0	517.387	3.249	50	0		KGAARN
CN(C)S(=O)(=O)c1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2Cc2ccccc2)cc1	ZINC000003362786	552371924	/nfs/dbraw/zinc/37/19/24/552371924.db2.gz	CLILJWYZXFUURU-UHFFFAOYSA-N	0	0	508.625	3.426	50	0		KGAARN
COc1ccccc1-n1c(SCC(=O)Nc2ccc(S(=O)(=O)N(C)C)cc2)nc2ccccc2c1=O	ZINC000003362788	552371892	/nfs/dbraw/zinc/37/18/92/552371892.db2.gz	OKHMOLBJTCURLM-UHFFFAOYSA-N	0	0	524.624	3.375	50	0		KGAARN
CCCn1c(SCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)nc2sc3c(c2c1=O)CC[C@H](C(C)(C)CC)C3	ZINC000003363775	552372449	/nfs/dbraw/zinc/37/24/49/552372449.db2.gz	GLUDSYJEDKYETM-AWEZNQCLSA-N	0	0	545.731	3.364	50	0		KGAARN
CCCn1c(SCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)nc2sc3c(c2c1=O)CC[C@@H](C(C)(C)CC)C3	ZINC000003363777	552372463	/nfs/dbraw/zinc/37/24/63/552372463.db2.gz	GLUDSYJEDKYETM-CQSZACIVSA-N	0	0	545.731	3.364	50	0		KGAARN
CCN(C(=O)CSC1=N/C(=C/c2ccco2)C(=O)N1c1ccc(OC(F)F)cc1)[C@@H]1CCS(=O)(=O)C1	ZINC000003365303	552373204	/nfs/dbraw/zinc/37/32/04/552373204.db2.gz	KZVULCJEXFSJJZ-PUMYGXPMSA-N	0	0	539.582	3.394	50	0		KGAARN
Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1/C=C/C(=O)OCC(=O)Nc1ccccc1OC(F)F	ZINC000003365645	552373245	/nfs/dbraw/zinc/37/32/45/552373245.db2.gz	JCXYBUBPGMLDLQ-YBJDMEARSA-N	0	0	503.911	3.001	50	0		KGAARN
Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1/C=C/C(=O)OCC(=O)Nc1ccccc1OC(F)F	ZINC000003365649	552373209	/nfs/dbraw/zinc/37/32/09/552373209.db2.gz	JCXYBUBPGMLDLQ-KTRBRXNASA-N	0	0	503.911	3.001	50	0		KGAARN
CCOC(=O)c1c2c(sc1NC(=O)COC(=O)/C=C/c1c(C)nn([C@H]3CCS(=O)(=O)C3)c1Cl)CCC2	ZINC000003365675	552373248	/nfs/dbraw/zinc/37/32/48/552373248.db2.gz	AIQWLWZZXQEVAO-NPQIQWPPSA-N	0	0	556.062	3.127	50	0		KGAARN
CCOC(=O)c1c2c(sc1NC(=O)COC(=O)/C=C/c1c(C)nn([C@@H]3CCS(=O)(=O)C3)c1Cl)CCC2	ZINC000003365678	552373277	/nfs/dbraw/zinc/37/32/77/552373277.db2.gz	AIQWLWZZXQEVAO-HSBSLETESA-N	0	0	556.062	3.127	50	0		KGAARN
O=C(COC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc3C2)c1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1	ZINC000003365761	552373181	/nfs/dbraw/zinc/37/31/81/552373181.db2.gz	UOQYZEBZEKWDHI-UHFFFAOYSA-N	0	0	583.688	3.014	50	0		KGAARN
CC(=O)Nc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(F)cc2)CC(=O)Nc2ccc(F)cc2)cc1	ZINC000003366819	552373724	/nfs/dbraw/zinc/37/37/24/552373724.db2.gz	HDDAFZOQLOXNFH-UHFFFAOYSA-N	0	0	516.526	3.191	50	0		KGAARN
COc1ccc(N2C(=O)C[C@H](N3CCN(S(=O)(=O)c4ccc(Cl)c(Cl)c4)CC3)C2=O)cc1Cl	ZINC000003368569	552374648	/nfs/dbraw/zinc/37/46/48/552374648.db2.gz	BQKPKZIOFZYGNL-SFHVURJKSA-N	0	0	532.833	3.294	50	0		KGAARN
NS(=O)(=O)c1ccc(NC(=O)CSc2nnc(-c3ccccc3)n2Cc2ccc3c(c2)OCO3)cc1	ZINC000003369648	552375083	/nfs/dbraw/zinc/37/50/83/552375083.db2.gz	YQULHSANJPIIGW-UHFFFAOYSA-N	0	0	523.596	3.100	50	0		KGAARN
COc1ccc(-c2csc(NC(=O)c3cc(S(=O)(=O)N4CCOCC4)ccc3C)n2)cc1OC	ZINC000003372337	552375530	/nfs/dbraw/zinc/37/55/30/552375530.db2.gz	GIRQHPFRHXYKOZ-UHFFFAOYSA-N	0	0	503.602	3.409	50	0		KGAARN
O=C(COC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)Nc1nc(-c2ccc(F)cc2)cs1	ZINC000003373373	552375714	/nfs/dbraw/zinc/37/57/14/552375714.db2.gz	RXOQSCUVFXGNDW-UHFFFAOYSA-N	0	0	539.994	3.419	50	0		KGAARN
CCOC(=O)c1c(C)c(C)sc1NC(=O)COC(=O)/C=C/c1c(C)nn([C@H]2CCS(=O)(=O)C2)c1Cl	ZINC000003373891	552375809	/nfs/dbraw/zinc/37/58/09/552375809.db2.gz	ZDAKZDMHZADMCE-LFAOLKIESA-N	0	0	544.051	3.255	50	0		KGAARN
CCOC(=O)c1c(C)c(C)sc1NC(=O)COC(=O)/C=C/c1c(C)nn([C@@H]2CCS(=O)(=O)C2)c1Cl	ZINC000003373896	552375737	/nfs/dbraw/zinc/37/57/37/552375737.db2.gz	ZDAKZDMHZADMCE-LQYUOIDQSA-N	0	0	544.051	3.255	50	0		KGAARN
C[C@H]1Cc2ccccc2N1S(=O)(=O)c1cccc(C(=O)OCC(=O)Nc2ccc(N3CCOCC3)cc2)c1	ZINC000003375896	552376307	/nfs/dbraw/zinc/37/63/07/552376307.db2.gz	BJOIBMMDFASIPK-FQEVSTJZSA-N	0	0	535.622	3.459	50	0		KGAARN
C[C@@H]1Cc2ccccc2N1S(=O)(=O)c1cccc(C(=O)OCC(=O)Nc2ccc(N3CCOCC3)cc2)c1	ZINC000003375900	552376338	/nfs/dbraw/zinc/37/63/38/552376338.db2.gz	BJOIBMMDFASIPK-HXUWFJFHSA-N	0	0	535.622	3.459	50	0		KGAARN
O=C(COC(=O)C1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1)Nc1ccc2c(c1)OCCO2	ZINC000003376103	552376295	/nfs/dbraw/zinc/37/62/95/552376295.db2.gz	HQPQSJZXZLDYEY-UHFFFAOYSA-N	0	0	529.398	3.347	50	0		KGAARN
Cc1sc2nc(SCC(=O)N(C)[C@@H]3CCS(=O)(=O)C3)n(-c3cc(C)ccc3C)c(=O)c2c1C	ZINC000003377445	552376913	/nfs/dbraw/zinc/37/69/13/552376913.db2.gz	BTTONUBAFSPTTJ-QGZVFWFLSA-N	0	0	505.687	3.418	50	0		KGAARN
O=C(OCc1cc(=O)n2cc(Br)ccc2n1)[C@@H]1CS[C@@]2(c3ccc(F)cc3)CCC(=O)N12	ZINC000003377571	552376890	/nfs/dbraw/zinc/37/68/90/552376890.db2.gz	DLZGSLUCWGWZRO-HTAPYJJXSA-N	0	0	518.364	3.230	50	0		KGAARN
O=C(OCc1cc(=O)n2cc(Br)ccc2n1)[C@@H]1CS[C@]2(c3ccc(F)cc3)CCC(=O)N12	ZINC000003377573	552376905	/nfs/dbraw/zinc/37/69/05/552376905.db2.gz	DLZGSLUCWGWZRO-JTSKRJEESA-N	0	0	518.364	3.230	50	0		KGAARN
O=C(OCc1cc(=O)n2cc(Br)ccc2n1)[C@H]1CS[C@@]2(c3ccc(F)cc3)CCC(=O)N12	ZINC000003377577	552376916	/nfs/dbraw/zinc/37/69/16/552376916.db2.gz	DLZGSLUCWGWZRO-VGOFRKELSA-N	0	0	518.364	3.230	50	0		KGAARN
O=C(OCc1cc(=O)n2cc(Br)ccc2n1)[C@H]1CS[C@]2(c3ccc(F)cc3)CCC(=O)N12	ZINC000003377579	552376885	/nfs/dbraw/zinc/37/68/85/552376885.db2.gz	DLZGSLUCWGWZRO-VGSWGCGISA-N	0	0	518.364	3.230	50	0		KGAARN
CCc1sc2nc(SCC(=O)N[C@@H]3CCS(=O)(=O)C3)n(Cc3ccc(C)cc3)c(=O)c2c1C	ZINC000003377696	552376919	/nfs/dbraw/zinc/37/69/19/552376919.db2.gz	FFTCIFGBACZKHE-QGZVFWFLSA-N	0	0	505.687	3.081	50	0		KGAARN
C[C@H](OC(=O)c1cccc(S(=O)(=O)Nc2ccccc2F)c1)C(=O)NCc1ccc2c(c1)OCO2	ZINC000003377887	552376896	/nfs/dbraw/zinc/37/68/96/552376896.db2.gz	BRIYOHHQTVQCGO-HNNXBMFYSA-N	0	0	500.504	3.217	50	0		KGAARN
C[C@@H](OC(=O)c1cccc(S(=O)(=O)Nc2ccccc2F)c1)C(=O)NCc1ccc2c(c1)OCO2	ZINC000003377891	552376931	/nfs/dbraw/zinc/37/69/31/552376931.db2.gz	BRIYOHHQTVQCGO-OAHLLOKOSA-N	0	0	500.504	3.217	50	0		KGAARN
Cc1ccc(C)c(-n2c(SCC(=O)c3c(N)n(C)c(=O)n(C)c3=O)nnc2-c2ccccc2Cl)c1	ZINC000003378406	552377134	/nfs/dbraw/zinc/37/71/34/552377134.db2.gz	CHIKHZXTFDIZIY-UHFFFAOYSA-N	0	0	511.007	3.159	50	0		KGAARN
O=C(CNC(=O)c1ccc(Cl)cc1Cl)NCC(=O)OCc1cc(=O)oc2cc3c(cc12)CCC3	ZINC000003378441	552377086	/nfs/dbraw/zinc/37/70/86/552377086.db2.gz	SJWBBMBCIDJFFV-UHFFFAOYSA-N	0	0	503.338	3.178	50	0		KGAARN
O=C(COC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1)Nc1cccc2ccccc21	ZINC000003378727	552377419	/nfs/dbraw/zinc/37/74/19/552377419.db2.gz	OUDUAPKOFPVJPY-UHFFFAOYSA-N	0	0	510.568	3.194	50	0	aggregator	KGAARN
COC(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)OCc2cc(=O)oc3c(C)c(C)ccc23)CC1	ZINC000003378835	552377334	/nfs/dbraw/zinc/37/73/34/552377334.db2.gz	KOZYGVLBVLSLFH-UHFFFAOYSA-N	0	0	513.568	3.341	50	0		KGAARN
Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1C=CC(=O)OCC(=O)c1ccc(Br)s1	ZINC000003378927	552377387	/nfs/dbraw/zinc/37/73/87/552377387.db2.gz	QFQFMVXRDSYGOT-DGXRNCNBSA-N	0	0	507.815	3.468	50	0		KGAARN
Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C=CC(=O)OCC(=O)c1ccc(Br)s1	ZINC000003378930	552377366	/nfs/dbraw/zinc/37/73/66/552377366.db2.gz	QFQFMVXRDSYGOT-XGQHYKRYSA-N	0	0	507.815	3.468	50	0		KGAARN
COc1cc(Cl)c(C)cc1NC(=O)COC(=O)/C=C/c1c(C)nn([C@H]2CCS(=O)(=O)C2)c1Cl	ZINC000003379177	552377639	/nfs/dbraw/zinc/37/76/39/552377639.db2.gz	RMRAOGGOMCYUPH-NNTXTVRGSA-N	0	0	516.403	3.370	50	0		KGAARN
COc1cc(Cl)c(C)cc1NC(=O)COC(=O)/C=C/c1c(C)nn([C@@H]2CCS(=O)(=O)C2)c1Cl	ZINC000003379180	552377657	/nfs/dbraw/zinc/37/76/57/552377657.db2.gz	RMRAOGGOMCYUPH-ISZGNANSSA-N	0	0	516.403	3.370	50	0		KGAARN
COc1ccc(Cl)cc1NC(=O)COC(=O)/C=C/c1c(C)nn([C@H]2CCS(=O)(=O)C2)c1Cl	ZINC000003379502	552377636	/nfs/dbraw/zinc/37/76/36/552377636.db2.gz	GRTYMEJIYFUBBE-YVZNUBBCSA-N	0	0	502.376	3.062	50	0		KGAARN
COc1ccc(Cl)cc1NC(=O)COC(=O)/C=C/c1c(C)nn([C@@H]2CCS(=O)(=O)C2)c1Cl	ZINC000003379506	552377581	/nfs/dbraw/zinc/37/75/81/552377581.db2.gz	GRTYMEJIYFUBBE-YVARQFDVSA-N	0	0	502.376	3.062	50	0		KGAARN
COc1ccc(CNC(=O)COC(=O)c2cccc(S(=O)(=O)Nc3ccc(F)cc3)c2)cc1OC	ZINC000003379646	552377642	/nfs/dbraw/zinc/37/76/42/552377642.db2.gz	SQXGJZLXWGHMNZ-UHFFFAOYSA-N	0	0	502.520	3.117	50	0		KGAARN
CCc1cccc(C)c1NC(=O)COC(=O)CNS(=O)(=O)c1ccc(Br)cc1Cl	ZINC000003379834	552377889	/nfs/dbraw/zinc/37/78/89/552377889.db2.gz	GAPBHJMPSNLTTA-UHFFFAOYSA-N	0	0	503.802	3.434	50	0		KGAARN
O=C(COC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1)c1ccc(Br)s1	ZINC000003379856	552377918	/nfs/dbraw/zinc/37/79/18/552377918.db2.gz	GOTMGEXEOJOZEN-UHFFFAOYSA-N	0	0	530.418	3.109	50	0		KGAARN
C[C@H](NS(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)OCc1cc(=O)n2cc(Br)ccc2n1	ZINC000003379980	552377894	/nfs/dbraw/zinc/37/78/94/552377894.db2.gz	OUPWHUGJYLSWHE-JTQLQIEISA-N	0	0	535.203	3.174	50	0		KGAARN
CCc1cccc2c(C(=O)COC(=O)C3CCN(S(=O)(=O)c4ccc5c(c4)OCCO5)CC3)c[nH]c21	ZINC000003380887	552378240	/nfs/dbraw/zinc/37/82/40/552378240.db2.gz	PTGRLZIHWPLACA-UHFFFAOYSA-N	0	0	512.584	3.328	50	0		KGAARN
Cc1ccc(S(=O)(=O)N2CCN(C(=O)CSc3nc4sc5c(c4c(=O)[nH]3)CCCC5)CC2)c(C)c1	ZINC000003381544	552378243	/nfs/dbraw/zinc/37/82/43/552378243.db2.gz	KBKFRPGIXUDFJA-UHFFFAOYSA-N	0	0	532.713	3.105	50	0		KGAARN
Cc1c(NC(=O)[C@H](C)OC(=O)[C@H]2CS[C@@]3(c4ccc(F)cc4)CCC(=O)N23)c(=O)n(-c2ccccc2)n1C	ZINC000003382380	552378420	/nfs/dbraw/zinc/37/84/20/552378420.db2.gz	UAGUUJAZAFUUQH-NWBLWUIWSA-N	0	0	538.601	3.085	50	0		KGAARN
O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1	ZINC000003383581	552378433	/nfs/dbraw/zinc/37/84/33/552378433.db2.gz	HLOLIZCHKNRYOM-UHFFFAOYSA-N	0	0	511.625	3.475	50	0		KGAARN
COc1ccc(Cl)cc1-c1nc(SCC(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)n[nH]1	ZINC000003384713	552378692	/nfs/dbraw/zinc/37/86/92/552378692.db2.gz	ZXEWTPIZYGPMQC-UHFFFAOYSA-N	0	0	522.052	3.067	50	0		KGAARN
Cc1cc(C)c(C)c(S(=O)(=O)N[C@@H](C)C(=O)OCc2cc(=O)n3cc(Br)ccc3n2)c1C	ZINC000003385563	552378757	/nfs/dbraw/zinc/37/87/57/552378757.db2.gz	SJKLOZLQKAFAMJ-INIZCTEOSA-N	0	0	522.421	3.101	50	0		KGAARN
COc1ccc(-n2c(SCC(=O)c3c(N)n(C)c(=O)n(C)c3=O)nnc2-c2cc(Cl)ccc2OC)cc1Cl	ZINC000003390166	552379263	/nfs/dbraw/zinc/37/92/63/552379263.db2.gz	BVHGWEKCENVZBZ-UHFFFAOYSA-N	0	0	577.450	3.213	50	0		KGAARN
CCOC(=O)c1c(NC(=O)COC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)sc2c1CCCC2	ZINC000003390658	552379185	/nfs/dbraw/zinc/37/91/85/552379185.db2.gz	VUFCMIWPAYQHJA-UHFFFAOYSA-N	0	0	520.629	3.384	50	0		KGAARN
O=C(CSc1nnc([C@H]2COc3ccccc3O2)n1-c1ccccc1)N1CCN(C(=O)c2ccco2)CC1	ZINC000003398023	552380108	/nfs/dbraw/zinc/38/01/08/552380108.db2.gz	YNNXXJXOTPMYSX-HSZRJFAPSA-N	0	0	531.594	3.450	50	0		KGAARN
O=C(CSc1nnc([C@@H]2COc3ccccc3O2)n1-c1ccccc1)N1CCN(C(=O)c2ccco2)CC1	ZINC000003398030	552380148	/nfs/dbraw/zinc/38/01/48/552380148.db2.gz	YNNXXJXOTPMYSX-QHCPKHFHSA-N	0	0	531.594	3.450	50	0		KGAARN
CCCCn1c2ccc(S(N)(=O)=O)cc2nc1SCC(=O)Nc1sc2c(c1C(N)=O)CC[C@H](C)C2	ZINC000003398600	552380199	/nfs/dbraw/zinc/38/01/99/552380199.db2.gz	NBMWOSIOVUAMTC-ZDUSSCGKSA-N	0	0	535.717	3.500	50	0		KGAARN
CCCCn1c2ccc(S(N)(=O)=O)cc2nc1SCC(=O)Nc1sc2c(c1C(N)=O)CC[C@@H](C)C2	ZINC000003398603	552380123	/nfs/dbraw/zinc/38/01/23/552380123.db2.gz	NBMWOSIOVUAMTC-CYBMUJFWSA-N	0	0	535.717	3.500	50	0		KGAARN
COC(=O)c1c(NC(=O)COC(=O)[C@@H](NS(=O)(=O)c2cccc(Cl)c2)C(C)C)sc2c1CCC2	ZINC000003399557	552380497	/nfs/dbraw/zinc/38/04/97/552380497.db2.gz	HZDBCPAVDYWJDG-IBGZPJMESA-N	0	0	529.036	3.162	50	0		KGAARN
Cc1c(C(=O)OCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)sc2nc(-c3cccs3)cc(C(F)(F)F)c12	ZINC000003401101	552380764	/nfs/dbraw/zinc/38/07/64/552380764.db2.gz	HULJJUNRAWUGOP-UHFFFAOYSA-N	0	0	538.529	3.371	50	0		KGAARN
COc1ccc2cc(-c3cc(C(=O)OCC(=O)c4c(N)n(C)c(=O)n(C)c4=O)c4ccccc4n3)ccc2c1	ZINC000003404369	552380937	/nfs/dbraw/zinc/38/09/37/552380937.db2.gz	WTCYUIDCXUGWNK-UHFFFAOYSA-N	0	0	524.533	3.083	50	0		KGAARN
Cc1cccc(NS(=O)(=O)c2cccc(C(=O)Nc3ccc(S(=O)(=O)N4CCOCC4)cc3)c2)c1	ZINC000003404518	552380947	/nfs/dbraw/zinc/38/09/47/552380947.db2.gz	BIXAITXNFNRNCI-UHFFFAOYSA-N	0	0	515.613	3.069	50	0		KGAARN
CN(C(=O)CSC1=N/C(=C/c2ccco2)C(=O)N1c1ccc(OC(F)F)cc1)[C@@H]1CCS(=O)(=O)C1	ZINC000003411244	552382145	/nfs/dbraw/zinc/38/21/45/552382145.db2.gz	ZABWMFZBYIYWHO-CLXYIWAZSA-N	0	0	525.555	3.003	50	0		KGAARN
CN(c1ccc(Cl)cc1)S(=O)(=O)c1cc(C(=O)OCC(=O)NC(=O)c2cccn2C)ccc1Cl	ZINC000003411615	552382200	/nfs/dbraw/zinc/38/22/00/552382200.db2.gz	YPNXFVFLUBYJLE-UHFFFAOYSA-N	0	0	524.382	3.270	50	0		KGAARN
CN(c1cccc(Cl)c1)S(=O)(=O)c1cccc(C(=O)N2CCN(S(=O)(=O)c3cccs3)CC2)c1	ZINC000003412355	552382096	/nfs/dbraw/zinc/38/20/96/552382096.db2.gz	XXLJENBZAJGXHO-UHFFFAOYSA-N	0	0	540.088	3.373	50	0		KGAARN
CCN(C(=O)CSc1nc2sc(C)c(C)c2c(=O)n1Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1	ZINC000003413905	552382582	/nfs/dbraw/zinc/38/25/82/552382582.db2.gz	VKHZEFXQLGQLBI-GOSISDBHSA-N	0	0	505.687	3.251	50	0		KGAARN
Cc1nn(Cc2ccccc2Cl)c2sc(C(=O)OCC(=O)c3c(N)n(CC(C)C)c(=O)n(C)c3=O)cc12	ZINC000003417154	552382881	/nfs/dbraw/zinc/38/28/81/552382881.db2.gz	ZUFDLDWDITVCKK-UHFFFAOYSA-N	0	0	544.033	3.246	50	0		KGAARN
O=C(COC(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)Nc1cc(-c2ccccc2)nn1-c1ccccc1	ZINC000003417295	552382890	/nfs/dbraw/zinc/38/28/90/552382890.db2.gz	KOVXNINMMCOTQO-UHFFFAOYSA-N	0	0	564.595	3.495	50	0		KGAARN
Cc1ccc(-c2nn(-c3ccccc3)cc2/C=C/C(=O)OCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)o1	ZINC000003417572	552383165	/nfs/dbraw/zinc/38/31/65/552383165.db2.gz	BKIQFRVUINHCST-GXDHUFHOSA-N	0	0	534.594	3.003	50	0		KGAARN
COc1ccc(-c2csc(NC(=O)Cc3ccc(OC)c(S(=O)(=O)N4CCOCC4)c3)n2)cc1	ZINC000003418638	552383340	/nfs/dbraw/zinc/38/33/40/552383340.db2.gz	AJHKZAUOQFZELZ-UHFFFAOYSA-N	0	0	503.602	3.029	50	0		KGAARN
CN(C)S(=O)(=O)c1cccc(COC(=O)c2cccnc2SCC(=O)Nc2ccc3c(c2)OCO3)c1	ZINC000003420155	552383605	/nfs/dbraw/zinc/38/36/05/552383605.db2.gz	AZVAIWUFPWPSJU-UHFFFAOYSA-N	0	0	529.596	3.148	50	0		KGAARN
Cc1sc2nc(SCC(=O)N(C)c3c(N)n(Cc4ccccc4)c(=O)[nH]c3=O)n(Cc3ccccc3)c(=O)c2c1C	ZINC000003421757	552383654	/nfs/dbraw/zinc/38/36/54/552383654.db2.gz	JCFSCSAAGAQJGG-UHFFFAOYSA-N	0	0	588.715	3.359	50	0		KGAARN
CC(C)CCn1cnc2c1c(=O)n(CC(=O)N1c3ccccc3NC(=O)C1(C)C)c(=O)n2Cc1ccccc1	ZINC000003422125	552383942	/nfs/dbraw/zinc/38/39/42/552383942.db2.gz	UCHICKKAFFURRQ-UHFFFAOYSA-N	0	0	528.613	3.218	50	0		KGAARN
Cc1c(N(C)S(=O)(=O)c2cccc(C(=O)NCCc3ccc(F)cc3)c2)c(=O)n(-c2ccccc2)n1C	ZINC000003422180	552383960	/nfs/dbraw/zinc/38/39/60/552383960.db2.gz	DKDNXXLOEODWKJ-UHFFFAOYSA-N	0	0	522.602	3.421	50	0		KGAARN
COc1ccccc1NC(=O)Cc1noc(COC(=O)c2cccc(S(=O)(=O)N3CCc4ccccc43)c2)n1	ZINC000003422549	552383924	/nfs/dbraw/zinc/38/39/24/552383924.db2.gz	QOEQAYLEWOMUQR-UHFFFAOYSA-N	0	0	548.577	3.368	50	0		KGAARN
CCN(CC(=O)NCc1ccc(F)cc1)C(=O)c1cccc(S(=O)(=O)N(C)c2ccc(OC)cc2)c1	ZINC000003425387	552384491	/nfs/dbraw/zinc/38/44/91/552384491.db2.gz	XMSXPMRFSPURQD-UHFFFAOYSA-N	0	0	513.591	3.438	50	0		KGAARN
COc1ccc(C=CC(=O)N(Cc2ccccc2)c2c(N)n(Cc3ccccc3)c(=O)[nH]c2=O)c(OC)c1	ZINC000003428431	552385085	/nfs/dbraw/zinc/38/50/85/552385085.db2.gz	ZRSPHRVYZMCLDV-JQIJEIRASA-N	0	0	512.566	3.431	50	0		KGAARN
O=C(CSc1nnc(-c2ccc(Br)cc2)n1CCc1ccccc1)N[C@@H]1CCS(=O)(=O)C1	ZINC000003428448	552385096	/nfs/dbraw/zinc/38/50/96/552385096.db2.gz	NNJCPZBFHDYVHY-LJQANCHMSA-N	0	0	535.489	3.346	50	0		KGAARN
COc1ccc(OC)c(-c2csc(NC(=O)c3ccc(OC)c(S(=O)(=O)N4CCOCC4)c3)n2)c1	ZINC000003430511	552385198	/nfs/dbraw/zinc/38/51/98/552385198.db2.gz	WWFQBXRYXBYECR-UHFFFAOYSA-N	0	0	519.601	3.109	50	0		KGAARN
Cc1c(NC(=O)c2c(NC(=O)COC(=O)C3=COCCO3)sc3c2CCCC3)c(=O)n(-c2ccccc2)n1C	ZINC000003430964	552385229	/nfs/dbraw/zinc/38/52/29/552385229.db2.gz	WAMAKNOGIBFOTI-UHFFFAOYSA-N	0	0	552.609	3.047	50	0		KGAARN
Cc1cc2sc(NC(=O)[C@@H](NC(=O)c3cccc(S(=O)(=O)N4CCOCC4)c3)C(C)C)nc2c(C)c1	ZINC000003431195	552385248	/nfs/dbraw/zinc/38/52/48/552385248.db2.gz	ASYWNJFCFPCJFV-NRFANRHFSA-N	0	0	530.672	3.327	50	0		KGAARN
O=C(COC(=O)CNS(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)Nc1ccc(Cl)cn1	ZINC000003431261	552385170	/nfs/dbraw/zinc/38/51/70/552385170.db2.gz	NNYVULRRHXFJNL-UHFFFAOYSA-N	0	0	519.807	3.233	50	0		KGAARN
CSCC[C@@H](NC(=O)c1ccccc1Cl)C(=O)OCC(=O)N1c2ccccc2NC(=O)C1(C)C	ZINC000003431350	552385168	/nfs/dbraw/zinc/38/51/68/552385168.db2.gz	FHFLSHNGSZKMIR-GOSISDBHSA-N	0	0	504.008	3.499	50	0		KGAARN
CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)OCC(=O)N1c2ccccc2NC(=O)C1(C)C	ZINC000003431352	552385193	/nfs/dbraw/zinc/38/51/93/552385193.db2.gz	FHFLSHNGSZKMIR-SFHVURJKSA-N	0	0	504.008	3.499	50	0		KGAARN
COCCn1c(N)c(N(Cc2ccccc2)C(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)c(=O)[nH]c1=O	ZINC000003431970	552385643	/nfs/dbraw/zinc/38/56/43/552385643.db2.gz	BBORIKOXEOZHLF-UHFFFAOYSA-N	0	0	536.592	3.465	50	0		KGAARN
CCOC(=O)c1c(C)c(C)sc1NC(=O)COC(=O)CSc1nnnn1-c1cc(C)ccc1C	ZINC000003433787	552386207	/nfs/dbraw/zinc/38/62/07/552386207.db2.gz	KVCAQKADHLZGSM-UHFFFAOYSA-N	0	0	503.606	3.408	50	0		KGAARN
CC(C)N(C(=O)COC(=O)CNS(=O)(=O)c1c(Cl)cc(Br)cc1Cl)C(C)C	ZINC000003438284	552386794	/nfs/dbraw/zinc/38/67/94/552386794.db2.gz	CYAKEGNZBHLPDP-UHFFFAOYSA-N	0	0	504.230	3.223	50	0		KGAARN
CN(C)S(=O)(=O)c1cccc(COC(=O)/C=C/c2ccc(S(=O)(=O)N3CCc4ccccc43)cc2)c1	ZINC000003438505	552386931	/nfs/dbraw/zinc/38/69/31/552386931.db2.gz	IZNCXPIYCKTHBP-NTCAYCPXSA-N	0	0	526.636	3.445	50	0		KGAARN
CCn1c(S[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)nnc1-c1cccs1	ZINC000003439626	552387205	/nfs/dbraw/zinc/38/72/05/552387205.db2.gz	FBGQWYJVDOARBS-HNNXBMFYSA-N	0	0	507.663	3.167	50	0		KGAARN
CCn1c(S[C@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)nnc1-c1cccs1	ZINC000003439630	552387210	/nfs/dbraw/zinc/38/72/10/552387210.db2.gz	FBGQWYJVDOARBS-OAHLLOKOSA-N	0	0	507.663	3.167	50	0		KGAARN
CCCn1c2nc(C(C)C)nc(SCC(=O)Nc3ccc(C(=O)N(CC)CC)cc3)c2c(=O)n(C)c1=O	ZINC000003442892	552388065	/nfs/dbraw/zinc/38/80/65/552388065.db2.gz	FYEKDFNSZKTNRL-UHFFFAOYSA-N	0	0	526.663	3.236	50	0		KGAARN
O=C(COC(=O)Cc1coc2ccc3ccccc3c12)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1	ZINC000003444258	552387995	/nfs/dbraw/zinc/38/79/95/552387995.db2.gz	XGNIBEPKZOQXSV-UHFFFAOYSA-N	0	0	508.552	3.331	50	0		KGAARN
Cc1c(NC(=O)c2c3c(sc2NC(=O)CSc2nc(N)n[nH]2)CCCC3)c(=O)n(-c2ccccc2)n1C	ZINC000003444810	552388259	/nfs/dbraw/zinc/38/82/59/552388259.db2.gz	NUFASEJOAPCTQL-UHFFFAOYSA-N	0	0	538.659	3.108	50	0		KGAARN
Cc1ccccc1Nc1nc(N)nc(COC(=O)c2cccc(S(=O)(=O)NCc3ccccc3)c2)n1	ZINC000003446339	552388293	/nfs/dbraw/zinc/38/82/93/552388293.db2.gz	KTCHBEFJXUMBMM-UHFFFAOYSA-N	0	0	504.572	3.341	50	0		KGAARN
NS(=O)(=O)c1cc(Cl)c(NC(=O)COC(=O)[C@H](Cc2ccccc2)N2C(=O)c3ccccc3C2=O)c(Cl)c1	ZINC000003448319	552388480	/nfs/dbraw/zinc/38/84/80/552388480.db2.gz	XEPLRIOWTPQDTH-FQEVSTJZSA-N	0	0	576.414	3.030	50	0		KGAARN
O=C(COC(=O)[C@H](Cc1ccccc1)NC1=NS(=O)(=O)c2ccccc21)Nc1ccccc1OC(F)F	ZINC000003450382	552388864	/nfs/dbraw/zinc/38/88/64/552388864.db2.gz	QBVBTPPLCIUJFT-IBGZPJMESA-N	0	0	529.521	3.120	50	0		KGAARN
C[C@H](OC(=O)c1ccccc1SCC(=O)Nc1ccc(F)cc1)C(=O)Nc1ccc(S(N)(=O)=O)cc1	ZINC000003450424	552388835	/nfs/dbraw/zinc/38/88/35/552388835.db2.gz	BSSIQKWNSJXQHV-HNNXBMFYSA-N	0	0	531.587	3.388	50	0		KGAARN
C[C@@H](OC(=O)c1ccccc1SCC(=O)Nc1ccc(F)cc1)C(=O)Nc1ccc(S(N)(=O)=O)cc1	ZINC000003450427	552388870	/nfs/dbraw/zinc/38/88/70/552388870.db2.gz	BSSIQKWNSJXQHV-OAHLLOKOSA-N	0	0	531.587	3.388	50	0		KGAARN
COc1ccc(C)cc1-n1c(SCC(=O)N(C)[C@@H]2CCS(=O)(=O)C2)nc2sc(C)c(C)c2c1=O	ZINC000003450660	552388872	/nfs/dbraw/zinc/38/88/72/552388872.db2.gz	YMUMKGYPOOFCMY-MRXNPFEDSA-N	0	0	521.686	3.119	50	0		KGAARN
CCc1c(C)sc2nc(SCC(=O)N(C)[C@@H]3CCS(=O)(=O)C3)n(-c3ccc(O)cc3C)c(=O)c12	ZINC000003450718	552388886	/nfs/dbraw/zinc/38/88/86/552388886.db2.gz	NJZWGAULRSDCIH-OAHLLOKOSA-N	0	0	521.686	3.070	50	0		KGAARN
Cc1ccc(C)c(-n2c(SCC(=O)c3c(N)n(C)c(=O)n(C)c3=O)nnc2-c2cccc(Cl)c2)c1	ZINC000003450734	552389059	/nfs/dbraw/zinc/38/90/59/552389059.db2.gz	OAXVSNSWDNBNOK-UHFFFAOYSA-N	0	0	511.007	3.159	50	0		KGAARN
CCn1c(SCC(=O)NCc2ccc(S(N)(=O)=O)cc2)nnc1-c1ccc(Cl)cc1Cl	ZINC000003451787	552389154	/nfs/dbraw/zinc/38/91/54/552389154.db2.gz	NFYYWCJNTFRPBF-UHFFFAOYSA-N	0	0	500.433	3.328	50	0		KGAARN
CCOC(=O)Nc1ccc2c(COC(=O)CCNS(=O)(=O)c3ccc(C)c(C)c3)cc(=O)oc2c1	ZINC000003452452	552389065	/nfs/dbraw/zinc/38/90/65/552389065.db2.gz	PTDUTHFIPNMNMH-UHFFFAOYSA-N	0	0	502.545	3.390	50	0		KGAARN
CCOC(=O)Nc1ccc2c(COC(=O)CNS(=O)(=O)c3cccc(Br)c3)cc(=O)oc2c1	ZINC000003454943	552389432	/nfs/dbraw/zinc/38/94/32/552389432.db2.gz	OTKKHFJOWKMSLS-UHFFFAOYSA-N	0	0	539.360	3.146	50	0	aggregator	KGAARN
CN(CC(=O)Nc1ccc(F)cc1)C(=O)COC(=O)c1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1	ZINC000003460064	552390007	/nfs/dbraw/zinc/39/00/07/552390007.db2.gz	WLQOZRSFUIQFLR-UHFFFAOYSA-N	0	0	539.585	3.221	50	0		KGAARN
COc1cccc(-n2c(=O)c3c4c(sc3nc2SCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)CCC4)c1	ZINC000003486703	552390380	/nfs/dbraw/zinc/39/03/80/552390380.db2.gz	AHUHUDOOUBPFHJ-UHFFFAOYSA-N	0	0	553.666	3.323	50	0		KGAARN
Cc1c(NC(=O)COC(=O)c2cccc(S(=O)(=O)N3CCCc4ccccc43)c2)c(=O)n(-c2ccccc2)n1C	ZINC000003515399	552390718	/nfs/dbraw/zinc/39/07/18/552390718.db2.gz	ZCOVSLHXRRTLCE-UHFFFAOYSA-N	0	0	560.632	3.421	50	0		KGAARN
Cc1c(NC(=O)COC(=O)c2cccc(S(=O)(=O)N3CCc4ccccc43)c2)c(=O)n(-c2ccccc2)n1C	ZINC000003515604	552390664	/nfs/dbraw/zinc/39/06/64/552390664.db2.gz	WOXKIQLYZNALAT-UHFFFAOYSA-N	0	0	546.605	3.031	50	0		KGAARN
O=C(COC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1	ZINC000003530512	552390900	/nfs/dbraw/zinc/39/09/00/552390900.db2.gz	ITPXOEILXCQGPW-UHFFFAOYSA-N	0	0	583.688	3.408	50	0		KGAARN
CCOC(=O)c1sc(NC(=O)[C@@H](C)SC2=NN3CCCC(=O)N=C3S2)c(C(=O)OCC)c1C	ZINC000003581448	552391201	/nfs/dbraw/zinc/39/12/01/552391201.db2.gz	IEFHNFXHDDXCAH-LLVKDONJSA-N	0	0	512.635	3.466	50	0		KGAARN
CCOC(=O)c1sc(NC(=O)[C@H](C)SC2=NN3CCCC(=O)N=C3S2)c(C(=O)OCC)c1C	ZINC000003581451	552391222	/nfs/dbraw/zinc/39/12/22/552391222.db2.gz	IEFHNFXHDDXCAH-NSHDSACASA-N	0	0	512.635	3.466	50	0		KGAARN
COc1ccc(-c2cnnn2-c2ccc(NC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)cc2)cc1OC	ZINC000003582368	552391275	/nfs/dbraw/zinc/39/12/75/552391275.db2.gz	IUMYMYGJBNKZQM-UHFFFAOYSA-N	0	0	507.572	3.454	50	0		KGAARN
O=C(CN1C(=O)c2ccccc2C1=O)OCCN(C1=NS(=O)(=O)c2ccccc21)c1ccccc1Cl	ZINC000003583501	552391224	/nfs/dbraw/zinc/39/12/24/552391224.db2.gz	DQEDLSRMQDFZHH-UHFFFAOYSA-N	0	0	523.954	3.135	50	0		KGAARN
O=C(Cn1cnc2ccccc2c1=O)OCCN(C1=NS(=O)(=O)c2ccccc21)c1ccccc1Cl	ZINC000003583504	552391248	/nfs/dbraw/zinc/39/12/48/552391248.db2.gz	CHAAGADWPHXWDN-UHFFFAOYSA-N	0	0	522.970	3.249	50	0		KGAARN
O=C(NN1S(=O)(=O)c2ccccc2S1(=O)=O)c1ccc(OCc2ccccc2Br)cc1	ZINC000003583941	552391262	/nfs/dbraw/zinc/39/12/62/552391262.db2.gz	RALNPICCSYZEAS-UHFFFAOYSA-N	0	0	523.386	3.066	50	0		KGAARN
O=C(NCc1ccc(F)cc1)c1cc(-c2ccccn2)nc2ccc(S(=O)(=O)N3CCOCC3)cc21	ZINC000003587848	552391785	/nfs/dbraw/zinc/39/17/85/552391785.db2.gz	IKRLNPVKWUPCEX-UHFFFAOYSA-N	0	0	506.559	3.387	50	0		KGAARN
CCCCOC(=O)C1=C(N)N2C(=O)[C@@H](C)SC2=C(C(=O)OCC)[C@H]1c1cc(OC)c(OC)c(OC)c1	ZINC000003624895	552395363	/nfs/dbraw/zinc/39/53/63/552395363.db2.gz	UKYAMYJAEIWFCX-DYVFJYSZSA-N	0	0	520.604	3.062	50	0		KGAARN
CCCCOC(=O)C1=C(N)N2C(=O)[C@@H](C)SC2=C(C(=O)OCC)[C@@H]1c1cc(OC)c(OC)c(OC)c1	ZINC000003624897	552395389	/nfs/dbraw/zinc/39/53/89/552395389.db2.gz	UKYAMYJAEIWFCX-CXAGYDPISA-N	0	0	520.604	3.062	50	0		KGAARN
CCCCOC(=O)C1=C(N)N2C(=O)[C@H](C)SC2=C(C(=O)OCC)[C@H]1c1cc(OC)c(OC)c(OC)c1	ZINC000003624898	552395380	/nfs/dbraw/zinc/39/53/80/552395380.db2.gz	UKYAMYJAEIWFCX-GUYCJALGSA-N	0	0	520.604	3.062	50	0		KGAARN
CCCCOC(=O)C1=C(N)N2C(=O)[C@H](C)SC2=C(C(=O)OCC)[C@@H]1c1cc(OC)c(OC)c(OC)c1	ZINC000003624900	552395372	/nfs/dbraw/zinc/39/53/72/552395372.db2.gz	UKYAMYJAEIWFCX-SUMWQHHRSA-N	0	0	520.604	3.062	50	0		KGAARN
CCCCOC(=O)C1=C(N)N2C(=O)[C@@H](C)SC2=C(C(=O)OC)[C@H]1c1ccc(OC(C)C)c(OC)c1	ZINC000003624902	552395361	/nfs/dbraw/zinc/39/53/61/552395361.db2.gz	OMKCGIYUALHTTH-KDOFPFPSSA-N	0	0	504.605	3.442	50	0		KGAARN
CCCCOC(=O)C1=C(N)N2C(=O)[C@@H](C)SC2=C(C(=O)OC)[C@@H]1c1ccc(OC(C)C)c(OC)c1	ZINC000003624903	552395348	/nfs/dbraw/zinc/39/53/48/552395348.db2.gz	OMKCGIYUALHTTH-RDTXWAMCSA-N	0	0	504.605	3.442	50	0		KGAARN
CCCCOC(=O)C1=C(N)N2C(=O)[C@H](C)SC2=C(C(=O)OC)[C@H]1c1ccc(OC(C)C)c(OC)c1	ZINC000003624905	552395358	/nfs/dbraw/zinc/39/53/58/552395358.db2.gz	OMKCGIYUALHTTH-KSSFIOAISA-N	0	0	504.605	3.442	50	0		KGAARN
CCCCOC(=O)C1=C(N)N2C(=O)[C@H](C)SC2=C(C(=O)OC)[C@@H]1c1ccc(OC(C)C)c(OC)c1	ZINC000003624907	552395339	/nfs/dbraw/zinc/39/53/39/552395339.db2.gz	OMKCGIYUALHTTH-KBXCAEBGSA-N	0	0	504.605	3.442	50	0		KGAARN
COc1cc(/C=C2/N=C(SCC(=O)Nc3ccc(S(N)(=O)=O)cc3)N(c3ccccc3)C2=O)cc(OC)c1OC	ZINC000003625130	552395378	/nfs/dbraw/zinc/39/53/78/552395378.db2.gz	PXWQOKSGKJOWOQ-FYJGNVAPSA-N	0	0	582.660	3.475	50	0		KGAARN
COc1cc(/C=C2\N=C(SCC(=O)Nc3ccc(S(N)(=O)=O)cc3)N(c3ccccc3)C2=O)cc(OC)c1OC	ZINC000003625132	552395368	/nfs/dbraw/zinc/39/53/68/552395368.db2.gz	PXWQOKSGKJOWOQ-BKUYFWCQSA-N	0	0	582.660	3.475	50	0		KGAARN
COc1ccc(-n2c(=O)c3ccc(C(=O)Nc4cc(C(N)=O)ccc4OC)cc3[nH]c2=S)c(OC)c1	ZINC000003631376	552397404	/nfs/dbraw/zinc/39/74/04/552397404.db2.gz	NGYLWEJNCRNNIG-UHFFFAOYSA-N	0	0	506.540	3.051	50	0		KGAARN
COc1ccccc1C(=O)NCc1nnc(SCC(=O)Nc2nccs2)n1-c1ccccc1OC	ZINC000003632412	552398001	/nfs/dbraw/zinc/39/80/01/552398001.db2.gz	ZZOSXPDJJDCTIW-UHFFFAOYSA-N	0	0	510.601	3.402	50	0		KGAARN
Cc1cccc(-n2c(CNC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)nnc2SCC(=O)N2CCc3ccccc32)c1	ZINC000003632435	552397939	/nfs/dbraw/zinc/39/79/39/552397939.db2.gz	NBGPZOXORNFEHF-UHFFFAOYSA-N	0	0	590.731	3.437	50	0		KGAARN
CN(C)S(=O)(=O)c1ccc(C(=O)NCc2nnc(SCC(=O)Nc3ccc(F)cc3)n2-c2ccc(F)cc2)cc1	ZINC000003632439	552397931	/nfs/dbraw/zinc/39/79/31/552397931.db2.gz	UMGXVFUSVWJHQO-UHFFFAOYSA-N	0	0	586.646	3.457	50	0		KGAARN
COc1ccccc1-n1c(CNC(=O)c2cccs2)nnc1SCC(=O)Nc1nnc(C)s1	ZINC000003632487	552397973	/nfs/dbraw/zinc/39/79/73/552397973.db2.gz	KSWAFNFPKHKYMG-UHFFFAOYSA-N	0	0	501.619	3.158	50	0		KGAARN
Cc1ccc(C)c(-n2c(CNC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)nnc2SCC(=O)Nc2nccs2)c1	ZINC000003632512	552398204	/nfs/dbraw/zinc/39/82/04/552398204.db2.gz	GARYQYHKXINWOK-UHFFFAOYSA-N	0	0	585.737	3.252	50	0		KGAARN
COc1ccc(OC)c(-n2c(CNC(=O)c3cccs3)nnc2SCC(=O)Nc2nccs2)c1	ZINC000003632529	552398248	/nfs/dbraw/zinc/39/82/48/552398248.db2.gz	ICAJYNFATZRWIP-UHFFFAOYSA-N	0	0	516.630	3.463	50	0		KGAARN
COc1ccc(OC)c(-n2c(CNC(=O)c3cccs3)nnc2SCC(=O)Nc2nnc(C)s2)c1	ZINC000003632532	552398233	/nfs/dbraw/zinc/39/82/33/552398233.db2.gz	LTBRBBTVUKOQDE-UHFFFAOYSA-N	0	0	531.645	3.167	50	0		KGAARN
COc1cccc(C(=O)NCc2nnc(SCC(=O)Nc3nccs3)n2-c2ccccc2OC)c1	ZINC000003632555	552398250	/nfs/dbraw/zinc/39/82/50/552398250.db2.gz	QQUIYJSIPXSISP-UHFFFAOYSA-N	0	0	510.601	3.402	50	0		KGAARN
COc1ccc(CC(=O)NCc2nnc(SCC(=O)Nc3nccs3)n2-c2ccc(F)cc2)cc1	ZINC000003632605	552398463	/nfs/dbraw/zinc/39/84/63/552398463.db2.gz	GXIXWYAFSXLFNL-UHFFFAOYSA-N	0	0	512.592	3.461	50	0		KGAARN
CCOC(=O)c1cc(=O)c2c(OCC(O)COc3cccc4oc(C(=O)OCC)cc(=O)c34)cccc2o1	ZINC000003632886	552398708	/nfs/dbraw/zinc/39/87/08/552398708.db2.gz	KRBBSLDXYDBFEC-UHFFFAOYSA-N	0	0	524.478	3.072	50	0		KGAARN
COc1ccc(-c2nc3s/c(=C\c4cc(Br)c(OC(C)=O)c(OC)c4)c(=O)n3n2)cc1OC	ZINC000003637310	552399107	/nfs/dbraw/zinc/39/91/07/552399107.db2.gz	LTNSQYCKBUDTGY-NVMNQCDNSA-N	0	0	532.372	3.079	50	0		KGAARN
COc1cc(-c2nc3s/c(=C4/c5ccccc5N(Cc5ccccc5)C4=O)c(=O)n3n2)cc(OC)c1OC	ZINC000003637478	552399285	/nfs/dbraw/zinc/39/92/85/552399285.db2.gz	IIJXYEBXGKUSSD-GYHWCHFESA-N	0	0	526.574	3.309	50	0		KGAARN
COc1cc(-c2nc3s/c(=C4/c5ccccc5N(Cc5ccccc5F)C4=O)c(=O)n3n2)cc(OC)c1OC	ZINC000003637485	552399261	/nfs/dbraw/zinc/39/92/61/552399261.db2.gz	VMWDMXGYMVBKHX-GYHWCHFESA-N	0	0	544.564	3.448	50	0		KGAARN
COc1cc(-c2nc3s/c(=C4/c5ccccc5N(Cc5ccc(F)cc5)C4=O)c(=O)n3n2)cc(OC)c1OC	ZINC000003637527	552399279	/nfs/dbraw/zinc/39/92/79/552399279.db2.gz	JODNJGVOSGFTSS-GYHWCHFESA-N	0	0	544.564	3.448	50	0		KGAARN
COc1ccccc1N1CCN(S(=O)(=O)c2c(C)sc3ncn(CC(=O)Nc4ccc(C)c(F)c4)c(=O)c32)CC1	ZINC000003650289	552401646	/nfs/dbraw/zinc/40/16/46/552401646.db2.gz	OOEMYCBITBLZTH-UHFFFAOYSA-N	0	0	585.683	3.372	50	0		KGAARN
COc1ccccc1N1CCN(S(=O)(=O)c2c(C)sc3ncn(CC(=O)Nc4ccc(F)cc4F)c(=O)c32)CC1	ZINC000003650292	552401998	/nfs/dbraw/zinc/40/19/98/552401998.db2.gz	RHQPBOHPIQBGPX-UHFFFAOYSA-N	0	0	589.646	3.203	50	0		KGAARN
COc1ccccc1N1CCN(S(=O)(=O)c2c(C)sc3ncn(CC(=O)Nc4ccccc4F)c(=O)c32)CC1	ZINC000003650298	552402035	/nfs/dbraw/zinc/40/20/35/552402035.db2.gz	LLVXRRXUNASEII-UHFFFAOYSA-N	0	0	571.656	3.064	50	0		KGAARN
COc1ccc2nc(NC(=O)Cn3cnc4sc(C)c(S(=O)(=O)N5CCCCC5)c4c3=O)sc2c1	ZINC000003650304	552402000	/nfs/dbraw/zinc/40/20/00/552402000.db2.gz	CHHNCXDCTHHYPO-UHFFFAOYSA-N	0	0	533.657	3.198	50	0		KGAARN
Cc1sc2ncn(CC(=O)Nc3nc4ccccc4s3)c(=O)c2c1S(=O)(=O)N1CCCCC1	ZINC000003650305	552402041	/nfs/dbraw/zinc/40/20/41/552402041.db2.gz	PKMVBYUCHRDFEB-UHFFFAOYSA-N	0	0	503.631	3.189	50	0		KGAARN
COc1ccc(NC(=O)Cn2cnc3sc(C)c(S(=O)(=O)N4CCCCC4)c3c2=O)cc1Cl	ZINC000003650323	552402045	/nfs/dbraw/zinc/40/20/45/552402045.db2.gz	ZZEZTRYCOAEALG-UHFFFAOYSA-N	0	0	511.025	3.242	50	0		KGAARN
COc1cc(OC)c(NC(=O)Cn2cnc3sc(C)c(S(=O)(=O)N4CCCCC4)c3c2=O)cc1Cl	ZINC000003650341	552402024	/nfs/dbraw/zinc/40/20/24/552402024.db2.gz	WTKVFNBCPRTDIY-UHFFFAOYSA-N	0	0	541.051	3.250	50	0		KGAARN
Cc1sc2ncn(CC(=O)Nc3ccc(Oc4ccccc4)cc3)c(=O)c2c1S(=O)(=O)N1CCOCC1	ZINC000003650430	552402004	/nfs/dbraw/zinc/40/20/04/552402004.db2.gz	ZTQIYHUARVTCJI-UHFFFAOYSA-N	0	0	540.623	3.218	50	0		KGAARN
COc1ccc2nc(NC(=O)Cn3cnc4sc(C)c(S(=O)(=O)N5CCC(C)CC5)c4c3=O)sc2c1	ZINC000003650527	552402247	/nfs/dbraw/zinc/40/22/47/552402247.db2.gz	LAKDQWTUGXCIPZ-UHFFFAOYSA-N	0	0	547.684	3.444	50	0		KGAARN
Cc1sc2ncn(CC(=O)Nc3nc4ccccc4s3)c(=O)c2c1S(=O)(=O)N1CCC(C)CC1	ZINC000003650529	552402250	/nfs/dbraw/zinc/40/22/50/552402250.db2.gz	HXLPQDFTJHWLEU-UHFFFAOYSA-N	0	0	517.658	3.435	50	0		KGAARN
COc1ccc(NC(=O)Cn2cnc3sc(C)c(S(=O)(=O)N4CCC(C)CC4)c3c2=O)cc1Cl	ZINC000003650558	552402230	/nfs/dbraw/zinc/40/22/30/552402230.db2.gz	ASJOEMNUGATHPC-UHFFFAOYSA-N	0	0	525.052	3.488	50	0		KGAARN
COc1ccc(Cl)cc1NC(=O)Cn1cnc2sc(C)c(S(=O)(=O)N3CCC(C)CC3)c2c1=O	ZINC000003650565	552402206	/nfs/dbraw/zinc/40/22/06/552402206.db2.gz	OUIVSLDHDMBQGG-UHFFFAOYSA-N	0	0	525.052	3.488	50	0		KGAARN
COc1cc(OC)c(NC(=O)Cn2cnc3sc(C)c(S(=O)(=O)N4CCC(C)CC4)c3c2=O)cc1Cl	ZINC000003650580	552402185	/nfs/dbraw/zinc/40/21/85/552402185.db2.gz	JIPQZURFQGYCCF-UHFFFAOYSA-N	0	0	555.078	3.496	50	0		KGAARN
Cc1sc2ncn(CC(=O)N3CCN(c4cccc(Cl)c4)CC3)c(=O)c2c1S(=O)(=O)N1CCC(C)CC1	ZINC000003650595	552402441	/nfs/dbraw/zinc/40/24/41/552402441.db2.gz	JQCMBPOFWANAIU-UHFFFAOYSA-N	0	0	564.133	3.189	50	0		KGAARN
Cc1sc2ncn(CC(=O)N3CCCc4ccccc43)c(=O)c2c1S(=O)(=O)N1CCC(C)CC1	ZINC000003650599	552402460	/nfs/dbraw/zinc/40/24/60/552402460.db2.gz	UJZUMDWGEPDRRJ-UHFFFAOYSA-N	0	0	500.646	3.166	50	0		KGAARN
CCOc1ccc(NC(=O)Cn2cnc3sc(C)c(S(=O)(=O)N4CCC(C)CC4)c3c2=O)cc1	ZINC000003650615	552402478	/nfs/dbraw/zinc/40/24/78/552402478.db2.gz	SHKFQZGRPGEFFF-UHFFFAOYSA-N	0	0	504.634	3.224	50	0		KGAARN
CCOc1ccccc1NC(=O)Cn1cnc2sc(C)c(S(=O)(=O)N3CCC(C)CC3)c2c1=O	ZINC000003650630	552402475	/nfs/dbraw/zinc/40/24/75/552402475.db2.gz	HNLJYKZVKTUOOD-UHFFFAOYSA-N	0	0	504.634	3.224	50	0		KGAARN
COc1ccc(C)cc1NC(=O)Cn1cnc2sc(C)c(S(=O)(=O)N3CCC(C)CC3)c2c1=O	ZINC000003650633	552402481	/nfs/dbraw/zinc/40/24/81/552402481.db2.gz	CZINCBUQDXRRNH-UHFFFAOYSA-N	0	0	504.634	3.143	50	0		KGAARN
CCOc1ccccc1N(C)C(=O)Cn1cnc2sc(C)c(S(=O)(=O)N3CCC(C)CC3)c2c1=O	ZINC000003650648	552402504	/nfs/dbraw/zinc/40/25/04/552402504.db2.gz	XOPNQMTXDCSLQM-UHFFFAOYSA-N	0	0	518.661	3.249	50	0		KGAARN
CCc1ccccc1N(C)C(=O)Cn1cnc2sc(C)c(S(=O)(=O)N3CCC(C)CC3)c2c1=O	ZINC000003650649	552402443	/nfs/dbraw/zinc/40/24/43/552402443.db2.gz	AJIJHUXGLSTWFU-UHFFFAOYSA-N	0	0	502.662	3.412	50	0		KGAARN
CN(C)S(=O)(=O)c1ccc(C(=O)OCCN(C2=NS(=O)(=O)c3ccccc32)c2ccc(Cl)cc2)cc1	ZINC000003651200	552402832	/nfs/dbraw/zinc/40/28/32/552402832.db2.gz	AOGZGFZRYVJBNH-UHFFFAOYSA-N	0	0	548.042	3.403	50	0		KGAARN
O=C(CCS(=O)(=O)c1nc(-c2ccc3c(c2)OCO3)cc(C(F)(F)F)n1)Nc1ccc2c(c1)OCO2	ZINC000003655024	552403485	/nfs/dbraw/zinc/40/34/85/552403485.db2.gz	VZCOWIVATRAKHP-UHFFFAOYSA-N	0	0	523.445	3.422	50	0		KGAARN
NC(=O)COc1ccc([C@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2Cc2ccc3c(c2)OCO3)cc1	ZINC000003656197	552405039	/nfs/dbraw/zinc/40/50/39/552405039.db2.gz	DNOSBZBABLJHQL-DEOSSOPVSA-N	0	0	502.454	3.270	50	0		KGAARN
NC(=O)COc1ccc([C@@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2Cc2ccc3c(c2)OCO3)cc1	ZINC000003656198	552405084	/nfs/dbraw/zinc/40/50/84/552405084.db2.gz	DNOSBZBABLJHQL-XMMPIXPASA-N	0	0	502.454	3.270	50	0		KGAARN
COc1ccc(-n2nc(C(=O)NCC(=O)Nc3cc(Cl)c(OC)cc3OC)c3ccccc3c2=O)cc1	ZINC000003660340	552405648	/nfs/dbraw/zinc/40/56/48/552405648.db2.gz	NZXJZOOAPJQAEL-UHFFFAOYSA-N	0	0	522.945	3.433	50	0		KGAARN
COc1ccc(-n2nc(C(=O)NCC(=O)N3CCN(c4cccc(Cl)c4)CC3)c3ccccc3c2=O)cc1	ZINC000003660349	552405527	/nfs/dbraw/zinc/40/55/27/552405527.db2.gz	BYNCXHMOQJAPDJ-UHFFFAOYSA-N	0	0	532.000	3.126	50	0		KGAARN
CCOC(=O)N1CCN(C(=O)c2cn(-c3ccc(OCC)cc3)c(=O)c3cc(OC)c(OC)cc23)CC1	ZINC000003660478	552405795	/nfs/dbraw/zinc/40/57/95/552405795.db2.gz	HZKVDVGZBZVEDL-UHFFFAOYSA-N	0	0	509.559	3.321	50	0		KGAARN
Cn1cnnc1SCC(=O)Nc1ccc(-c2nc3cc(NC(=O)CSc4nncn4C)ccc3o2)cc1	ZINC000003667221	552409504	/nfs/dbraw/zinc/40/95/04/552409504.db2.gz	TUOKBOXITRURRC-UHFFFAOYSA-N	0	0	535.615	3.213	50	0		KGAARN
Nc1nnc(SCC(=O)Nc2nnc(SCC(=O)Nc3ncc(Br)cc3Br)s2)s1	ZINC000003668244	552409907	/nfs/dbraw/zinc/40/99/07/552409907.db2.gz	FXFXYBIZDUXYSR-UHFFFAOYSA-N	0	0	598.353	3.353	50	0		KGAARN
CCOC(=O)c1nnn(-c2nonc2N)c1CSc1nnc2c3ccccc3n(Cc3ccccc3)c2n1	ZINC000003668789	552410217	/nfs/dbraw/zinc/41/02/17/552410217.db2.gz	UFRQKLUNSJJBBG-UHFFFAOYSA-N	0	0	528.558	3.043	50	0		KGAARN
Nn1cnn2c(SCC(=O)Nc3nnc(SCC(=O)N4c5ccccc5Sc5ccccc54)s3)nnc12	ZINC000003669498	552410710	/nfs/dbraw/zinc/41/07/10/552410710.db2.gz	PPSCDSKQIQTPDI-UHFFFAOYSA-N	0	0	568.695	3.144	50	0		KGAARN
CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(O)cc3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2	ZINC000003670684	552412035	/nfs/dbraw/zinc/41/20/35/552412035.db2.gz	RGMRCDYIMUTMQF-ARLGEPFESA-N	0	0	526.570	3.370	50	0		KGAARN
CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(O)cc3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2	ZINC000003670686	552412004	/nfs/dbraw/zinc/41/20/04/552412004.db2.gz	RGMRCDYIMUTMQF-SCRHHBKZSA-N	0	0	526.570	3.370	50	0		KGAARN
O=C(CN(Cc1ccc(Cl)cc1)C(=O)CN1C(=O)C(=O)c2ccccc21)Nc1ccc(N2CCOCC2)cc1	ZINC000003766548	552414811	/nfs/dbraw/zinc/41/48/11/552414811.db2.gz	UGBWMLBBLWVHOW-UHFFFAOYSA-N	0	0	547.011	3.373	50	0		KGAARN
Cn1ccc2cc(NC(=O)C(C)(C)N(CCCn3ccnc3)C(=O)CN3C(=O)c4ccccc4C3=O)ccc21	ZINC000003772361	552417836	/nfs/dbraw/zinc/41/78/36/552417836.db2.gz	QBPVCSZQWZDXKF-UHFFFAOYSA-N	0	0	526.597	3.307	50	0		KGAARN
O=C(N1CCCCC1)N1CCn2cc(C3=C(c4cnc5ccccn54)C(=O)NC3=O)c3cc(F)cc(c32)C1	ZINC000003817327	552418543	/nfs/dbraw/zinc/41/85/43/552418543.db2.gz	HRJWTAWVFDCTGO-UHFFFAOYSA-N	0	0	512.545	3.417	50	0	investigational	KGAARN
COc1ccc(NC(=O)[C@H](CCSC)NC(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1	ZINC000003882900	552421965	/nfs/dbraw/zinc/42/19/65/552421965.db2.gz	XUZUJMLRYXBVIO-QHCPKHFHSA-N	0	0	519.689	3.281	50	0		KGAARN
CC(C)OC(=O)OCOP(=O)(CO[C@H](C)Cn1cnc2c1ncnc2N)OCOC(=O)OC(C)C	ZINC000003929022	552422838	/nfs/dbraw/zinc/42/28/38/552422838.db2.gz	JFVZFKDSXNQEJW-CQSZACIVSA-N	0	0	519.448	3.036	50	0	fda	KGAARN
COc1ccc(S(=O)(=O)N2c3ccc(Cl)cc3[C@](O)(c3ccccc3Cl)[C@@H]2C(=O)N2CCC[C@H]2C(N)=O)cc1OC	ZINC000003931527	552422757	/nfs/dbraw/zinc/42/27/57/552422757.db2.gz	CEBYCSRFKCEUSW-NAYZPBBASA-N	0	0	620.511	3.300	50	0	investigational	KGAARN
CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)O[C@H]1[C@H]2OC(C)(C)O[C@@H]2O[C@H]1[C@@H]1COC(C)(C)O1	ZINC000004013015	552425809	/nfs/dbraw/zinc/42/58/09/552425809.db2.gz	YNIFGNHTUBRHLX-NRZQEMMASA-N	0	0	507.580	3.267	50	0		KGAARN
COC(=O)c1cc(I)cc(I)c1I	ZINC000004014506	552426255	/nfs/dbraw/zinc/42/62/55/552426255.db2.gz	XCUGOAJCSATKNE-UHFFFAOYSA-N	0	0	513.838	3.287	50	0		KGAARN
COc1ccc(C(OC[C@H]2O[C@@H]3[C@@H](Oc4nc(=O)ccn43)[C@@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1	ZINC000004015452	552426475	/nfs/dbraw/zinc/42/64/75/552426475.db2.gz	OEIRLWHCGAICDW-AOGFTHLWSA-N	0	0	528.561	3.289	50	0		KGAARN
O=S(=O)([O-])CCC[n+]1c(/C=C/c2ccc3c(c2)OCCOCCOCCOCCO3)ccc2ccccc21	ZINC000004015985	552426981	/nfs/dbraw/zinc/42/69/81/552426981.db2.gz	VVSOPSHCHWIDSO-RMKNXTFCSA-O	0	0	544.646	3.397	50	0		KGAARN
CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CCOCCOCCN(C(=O)[C@H](CC)NC(=O)OCc2ccccc2)CCOCCOCC1	ZINC000004016394	552427598	/nfs/dbraw/zinc/42/75/98/552427598.db2.gz	GJGWZYRBNAEIEV-MEKGRNQZSA-N	0	0	700.830	3.134	50	0		KGAARN
CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CCOCCOCCN(C(=O)[C@@H](CC)NC(=O)OCc2ccccc2)CCOCCOCC1	ZINC000004016395	552427573	/nfs/dbraw/zinc/42/75/73/552427573.db2.gz	GJGWZYRBNAEIEV-ROJLCIKYSA-N	0	0	700.830	3.134	50	0		KGAARN
CC[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCOCCOCCN(C(=O)[C@H](CC)NC(=O)OCc2ccccc2)CCOCCOCC1	ZINC000004016396	552427562	/nfs/dbraw/zinc/42/75/62/552427562.db2.gz	GJGWZYRBNAEIEV-ACHIHNKUSA-N	0	0	700.830	3.134	50	0		KGAARN
Cc1ccc(S(=O)(=O)N2CCOCCN(S(=O)(=O)c3ccc(C)cc3)CCOCCN(S(=O)(=O)c3ccc(C)cc3)CCOCC2)cc1	ZINC000004016398	552427621	/nfs/dbraw/zinc/42/76/21/552427621.db2.gz	ZWZKIZMEFFTNEM-UHFFFAOYSA-N	0	0	723.936	3.048	50	0		KGAARN
COc1ccc(C(OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](F)[C@@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1	ZINC000004016692	552427868	/nfs/dbraw/zinc/42/78/68/552427868.db2.gz	CSSFZSSZXOCCJB-YULOIDQLSA-N	0	0	548.567	3.159	50	0		KGAARN
COC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@@H](Cc1ccc(COc2ccccc2)cc1)NC(=O)OC(C)(C)C	ZINC000004017012	552428064	/nfs/dbraw/zinc/42/80/64/552428064.db2.gz	BJXHWOOXSANWRF-PFBJBMPXSA-N	0	0	626.751	3.156	50	0		KGAARN
COC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](Cc1ccc(COc2ccccc2)cc1)NC(=O)OC(C)(C)C	ZINC000004017014	552428087	/nfs/dbraw/zinc/42/80/87/552428087.db2.gz	BJXHWOOXSANWRF-VJGNERBWSA-N	0	0	626.751	3.156	50	0		KGAARN
CCOP(=O)(OCC)/C(=C(\NC(=O)c1ccccc1)C(=O)N[C@@H]1CCS(=O)(=O)C1)c1ccccc1	ZINC000004017715	552428836	/nfs/dbraw/zinc/42/88/36/552428836.db2.gz	APSMKSRYPVXQMA-VWKSNAFDSA-N	0	0	520.544	3.355	50	0		KGAARN
CCOP(=O)(OCC)/C(=C(\NC(=O)c1ccccc1)C(=O)N[C@H]1CCS(=O)(=O)C1)c1ccccc1	ZINC000004017716	552428846	/nfs/dbraw/zinc/42/88/46/552428846.db2.gz	APSMKSRYPVXQMA-RZRVEKSFSA-N	0	0	520.544	3.355	50	0		KGAARN
O=C(NCCNC(=O)/C(=C/c1ccco1)NC(=O)c1ccccc1)/C(=C\c1ccco1)NC(=O)c1ccccc1	ZINC000004018253	552429143	/nfs/dbraw/zinc/42/91/43/552429143.db2.gz	AMRIYTZZMGCIID-GAHATOAQSA-N	0	0	538.560	3.347	50	0		KGAARN
CC[C@H](C)[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)N1CCOCCN(C(=O)[C@@H](NS(=O)(=O)c2ccc(C)cc2)[C@@H](C)CC)CCOCC1	ZINC000004018384	552429310	/nfs/dbraw/zinc/42/93/10/552429310.db2.gz	ZOZNTFKDJOVMTQ-IQXRZRKZSA-N	0	0	708.944	3.094	50	0		KGAARN
CC[C@H](C)[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)N1CCOCCOCCN(C(=O)[C@@H](NS(=O)(=O)c2ccc(C)cc2)[C@@H](C)CC)CCOCC1	ZINC000004018388	552429519	/nfs/dbraw/zinc/42/95/19/552429519.db2.gz	KZVALMGQIWHNES-DCSZGZOJSA-N	0	0	752.997	3.110	50	0		KGAARN
CC[C@@H](C)[C@@H](C(=O)N1CCOCCN(C(=O)[C@@H]([C@@H](C)CC)N2C(=O)c3ccccc3C2=O)CCOCC1)N1C(=O)c2ccccc2C1=O	ZINC000004018391	552429569	/nfs/dbraw/zinc/42/95/69/552429569.db2.gz	TZHWBSASTNQSIK-XATIAHKXSA-N	0	0	660.768	3.112	50	0		KGAARN
CC[C@H](C)[C@H](C(=O)N1CCOCCN(C(=O)[C@H]([C@@H](C)CC)N2C(=O)c3ccccc3C2=O)CCOCC1)N1C(=O)c2ccccc2C1=O	ZINC000004018392	552429584	/nfs/dbraw/zinc/42/95/84/552429584.db2.gz	TZHWBSASTNQSIK-PPSLNNBKSA-N	0	0	660.768	3.112	50	0		KGAARN
CC[C@@H](C)[C@H](C(=O)N1CCOCCN(C(=O)[C@@H]([C@@H](C)CC)N2C(=O)c3ccccc3C2=O)CCOCC1)N1C(=O)c2ccccc2C1=O	ZINC000004018393	552429543	/nfs/dbraw/zinc/42/95/43/552429543.db2.gz	TZHWBSASTNQSIK-XSHKJCDBSA-N	0	0	660.768	3.112	50	0		KGAARN
CC[C@H](C)[C@H](C(=O)N1CCOCCN(C(=O)[C@@H]([C@@H](C)CC)N2C(=O)c3ccccc3C2=O)CCOCC1)N1C(=O)c2ccccc2C1=O	ZINC000004018394	552429516	/nfs/dbraw/zinc/42/95/16/552429516.db2.gz	TZHWBSASTNQSIK-BAAZAXTHSA-N	0	0	660.768	3.112	50	0		KGAARN
CC[C@@H](C)[C@@H](C(=O)N1CCOCCOCCN(C(=O)[C@@H]([C@@H](C)CC)N2C(=O)c3ccccc3C2=O)CCOCC1)N1C(=O)c2ccccc2C1=O	ZINC000004018395	552429582	/nfs/dbraw/zinc/42/95/82/552429582.db2.gz	KZKVBXHSYOGCNU-VGOHZWIPSA-N	0	0	704.821	3.129	50	0		KGAARN
CC[C@H](C)[C@H](C(=O)N1CCOCCOCCN(C(=O)[C@H]([C@@H](C)CC)N2C(=O)c3ccccc3C2=O)CCOCC1)N1C(=O)c2ccccc2C1=O	ZINC000004018396	552429551	/nfs/dbraw/zinc/42/95/51/552429551.db2.gz	KZKVBXHSYOGCNU-NWDGNEFISA-N	0	0	704.821	3.129	50	0		KGAARN
CC[C@@H](C)[C@H](C(=O)N1CCOCCOCCN(C(=O)[C@@H]([C@@H](C)CC)N2C(=O)c3ccccc3C2=O)CCOCC1)N1C(=O)c2ccccc2C1=O	ZINC000004018397	552429577	/nfs/dbraw/zinc/42/95/77/552429577.db2.gz	KZKVBXHSYOGCNU-CRJTYWNXSA-N	0	0	704.821	3.129	50	0		KGAARN
CC[C@H](C)[C@H](C(=O)N1CCOCCOCCN(C(=O)[C@@H]([C@@H](C)CC)N2C(=O)c3ccccc3C2=O)CCOCC1)N1C(=O)c2ccccc2C1=O	ZINC000004018398	552429549	/nfs/dbraw/zinc/42/95/49/552429549.db2.gz	KZKVBXHSYOGCNU-BANVDVKSSA-N	0	0	704.821	3.129	50	0		KGAARN
CC[C@@H](C)[C@@H](C(=O)N1CCOCCOCCN(C(=O)[C@@H]([C@@H](C)CC)N2C(=O)c3ccccc3C2=O)CCOCCOCC1)N1C(=O)c2ccccc2C1=O	ZINC000004018399	552429541	/nfs/dbraw/zinc/42/95/41/552429541.db2.gz	YTMCEXSDXUZYLT-HVXFKJKMSA-N	0	0	748.874	3.145	50	0		KGAARN
CC[C@H](C)[C@H](C(=O)N1CCOCCOCCN(C(=O)[C@H]([C@@H](C)CC)N2C(=O)c3ccccc3C2=O)CCOCCOCC1)N1C(=O)c2ccccc2C1=O	ZINC000004018400	552429509	/nfs/dbraw/zinc/42/95/09/552429509.db2.gz	YTMCEXSDXUZYLT-IFYYNRDRSA-N	0	0	748.874	3.145	50	0		KGAARN
CC[C@@H](C)[C@H](C(=O)N1CCOCCOCCN(C(=O)[C@@H]([C@@H](C)CC)N2C(=O)c3ccccc3C2=O)CCOCCOCC1)N1C(=O)c2ccccc2C1=O	ZINC000004018401	552429527	/nfs/dbraw/zinc/42/95/27/552429527.db2.gz	YTMCEXSDXUZYLT-XWXJLYGMSA-N	0	0	748.874	3.145	50	0		KGAARN
CC[C@H](C)[C@H](C(=O)N1CCOCCOCCN(C(=O)[C@@H]([C@@H](C)CC)N2C(=O)c3ccccc3C2=O)CCOCCOCC1)N1C(=O)c2ccccc2C1=O	ZINC000004018402	552429524	/nfs/dbraw/zinc/42/95/24/552429524.db2.gz	YTMCEXSDXUZYLT-WCISARMNSA-N	0	0	748.874	3.145	50	0		KGAARN
Cc1ccc(S(=O)(=O)N[C@H](CC(C)C)C(=O)N2CCOCCN(C(=O)[C@@H](CC(C)C)NS(=O)(=O)c3ccc(C)cc3)CCOCC2)cc1	ZINC000004018404	552429556	/nfs/dbraw/zinc/42/95/56/552429556.db2.gz	PHOHZRJJQXIHIR-ROJLCIKYSA-N	0	0	708.944	3.094	50	0		KGAARN
Cc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)N2CCOCCN(C(=O)[C@H](CC(C)C)NS(=O)(=O)c3ccc(C)cc3)CCOCC2)cc1	ZINC000004018405	552429580	/nfs/dbraw/zinc/42/95/80/552429580.db2.gz	PHOHZRJJQXIHIR-ACHIHNKUSA-N	0	0	708.944	3.094	50	0		KGAARN
Cc1ccc(S(=O)(=O)N[C@H](CC(C)C)C(=O)N2CCOCCOCCN(C(=O)[C@@H](CC(C)C)NS(=O)(=O)c3ccc(C)cc3)CCOCC2)cc1	ZINC000004018408	552429513	/nfs/dbraw/zinc/42/95/13/552429513.db2.gz	KTHOLWCFQOJMJH-KKLWWLSJSA-N	0	0	752.997	3.110	50	0		KGAARN
Cc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)N2CCOCCOCCN(C(=O)[C@H](CC(C)C)NS(=O)(=O)c3ccc(C)cc3)CCOCC2)cc1	ZINC000004018409	552429559	/nfs/dbraw/zinc/42/95/59/552429559.db2.gz	KTHOLWCFQOJMJH-HEVIKAOCSA-N	0	0	752.997	3.110	50	0		KGAARN
CC(C)C[C@H](C(=O)N1CCOCCN(C(=O)[C@H](CC(C)C)N2C(=O)c3ccccc3C2=O)CCOCC1)N1C(=O)c2ccccc2C1=O	ZINC000004018411	552429565	/nfs/dbraw/zinc/42/95/65/552429565.db2.gz	SGWBHKDLRXVLRG-RNPORBBMSA-N	0	0	660.768	3.112	50	0		KGAARN
CC(C)C[C@H](C(=O)N1CCOCCN(C(=O)[C@@H](CC(C)C)N2C(=O)c3ccccc3C2=O)CCOCC1)N1C(=O)c2ccccc2C1=O	ZINC000004018412	552429567	/nfs/dbraw/zinc/42/95/67/552429567.db2.gz	SGWBHKDLRXVLRG-LOYHVIPDSA-N	0	0	660.768	3.112	50	0		KGAARN
CC(C)C[C@@H](C(=O)N1CCOCCN(C(=O)[C@H](CC(C)C)N2C(=O)c3ccccc3C2=O)CCOCC1)N1C(=O)c2ccccc2C1=O	ZINC000004018413	552429537	/nfs/dbraw/zinc/42/95/37/552429537.db2.gz	SGWBHKDLRXVLRG-KYJUHHDHSA-N	0	0	660.768	3.112	50	0		KGAARN
CC(C)C[C@H](C(=O)N1CCOCCOCCN(C(=O)[C@H](CC(C)C)N2C(=O)c3ccccc3C2=O)CCOCC1)N1C(=O)c2ccccc2C1=O	ZINC000004018415	552429574	/nfs/dbraw/zinc/42/95/74/552429574.db2.gz	HNSZTDXGVSPRHK-MEKGRNQZSA-N	0	0	704.821	3.129	50	0		KGAARN
CC(C)C[C@H](C(=O)N1CCOCCOCCN(C(=O)[C@@H](CC(C)C)N2C(=O)c3ccccc3C2=O)CCOCC1)N1C(=O)c2ccccc2C1=O	ZINC000004018416	552429539	/nfs/dbraw/zinc/42/95/39/552429539.db2.gz	HNSZTDXGVSPRHK-ROJLCIKYSA-N	0	0	704.821	3.129	50	0		KGAARN
CC(C)C[C@@H](C(=O)N1CCOCCOCCN(C(=O)[C@H](CC(C)C)N2C(=O)c3ccccc3C2=O)CCOCC1)N1C(=O)c2ccccc2C1=O	ZINC000004018417	552429529	/nfs/dbraw/zinc/42/95/29/552429529.db2.gz	HNSZTDXGVSPRHK-ACHIHNKUSA-N	0	0	704.821	3.129	50	0		KGAARN
CC(C)C[C@H](C(=O)N1CCOCCOCCN(C(=O)[C@H](CC(C)C)N2C(=O)c3ccccc3C2=O)CCOCCOCC1)N1C(=O)c2ccccc2C1=O	ZINC000004018419	552429533	/nfs/dbraw/zinc/42/95/33/552429533.db2.gz	DJYCOPLYAFDRMC-AQOUDTPCSA-N	0	0	748.874	3.145	50	0		KGAARN
CC(C)C[C@H](C(=O)N1CCOCCOCCN(C(=O)[C@@H](CC(C)C)N2C(=O)c3ccccc3C2=O)CCOCCOCC1)N1C(=O)c2ccccc2C1=O	ZINC000004018420	552429504	/nfs/dbraw/zinc/42/95/04/552429504.db2.gz	DJYCOPLYAFDRMC-KKLWWLSJSA-N	0	0	748.874	3.145	50	0		KGAARN
CC(C)C[C@@H](C(=O)N1CCOCCOCCN(C(=O)[C@H](CC(C)C)N2C(=O)c3ccccc3C2=O)CCOCCOCC1)N1C(=O)c2ccccc2C1=O	ZINC000004018421	552429553	/nfs/dbraw/zinc/42/95/53/552429553.db2.gz	DJYCOPLYAFDRMC-HEVIKAOCSA-N	0	0	748.874	3.145	50	0		KGAARN
COc1ccc(Nc2nnc(-c3ccc(C)c(S(=O)(=O)N4CCOCC4)c3)c3ccccc32)cc1C(N)=O	ZINC000004030434	552430339	/nfs/dbraw/zinc/43/03/39/552430339.db2.gz	PJIAAWBSLYHOKS-UHFFFAOYSA-N	0	0	533.610	3.477	50	0		KGAARN
Cc1ccc(-c2nnc(Nc3ccc(OCC(N)=O)cc3)c3ccccc32)cc1S(=O)(=O)N1CCOCC1	ZINC000004030440	552430357	/nfs/dbraw/zinc/43/03/57/552430357.db2.gz	VECVEJZZVXAQJC-UHFFFAOYSA-N	0	0	533.610	3.234	50	0		KGAARN
Cc1ccc(S(=O)(=O)N2CCOCC2)c(C)c1N1CCc2cnn(S(=O)(=O)c3ccc(Cl)cc3)c21	ZINC000004043584	552430298	/nfs/dbraw/zinc/43/02/98/552430298.db2.gz	RQWUOUNWTSLCFW-UHFFFAOYSA-N	0	0	537.063	3.105	50	0		KGAARN
Ic1[nH]c(I)c(I)c1I	ZINC000004086408	552434467	/nfs/dbraw/zinc/43/44/67/552434467.db2.gz	VJOVAKSZILJDBB-UHFFFAOYSA-N	0	0	570.675	3.433	50	0	in-man	KGAARN
CC(=O)OC(C)(C)/C=C/C(=O)[C@](C)(O)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC=C4[C@@H](C[C@H](O)C(=O)C4(C)C)[C@]3(C)C(=O)C[C@]12C	ZINC000004097797	552436384	/nfs/dbraw/zinc/43/63/84/552436384.db2.gz	IXQKXEUSCPEQRD-DKRGWESNSA-N	0	0	558.712	3.499	50	0	biogenic,in-vitro	KGAARN
C[C@@]12CC(=O)N[C@H]1N(S(=O)(=O)c1ccccc1)[C@@H](c1ccccc1OS(=O)(=O)c1ccccc1)C2	ZINC000004108724	552437364	/nfs/dbraw/zinc/43/73/64/552437364.db2.gz	FHXOUBYDJVUAFZ-IEZKXTBUSA-N	0	0	512.609	3.442	50	0		KGAARN
C[C@@]12CC(=O)N[C@H]1N(S(=O)(=O)c1ccccc1)[C@H](c1ccccc1OS(=O)(=O)c1ccccc1)C2	ZINC000004108725	552437366	/nfs/dbraw/zinc/43/73/66/552437366.db2.gz	FHXOUBYDJVUAFZ-GVXSCFBNSA-N	0	0	512.609	3.442	50	0		KGAARN
CCCC(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3cc(OC)c(OC)c(OC)c3)cc2)CC1	ZINC000004109413	552437606	/nfs/dbraw/zinc/43/76/06/552437606.db2.gz	LTSXCTNULVFIEI-UHFFFAOYSA-N	0	0	500.621	3.288	50	0		KGAARN
CCC(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3ccccc3I)cc2)CC1	ZINC000004121701	552439476	/nfs/dbraw/zinc/43/94/76/552439476.db2.gz	FVPSELHIEFTUAI-UHFFFAOYSA-N	0	0	522.412	3.477	50	0		KGAARN
CCC(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3cccc(I)c3)cc2)CC1	ZINC000004121716	552439483	/nfs/dbraw/zinc/43/94/83/552439483.db2.gz	MNXHNOKOTWUMRE-UHFFFAOYSA-N	0	0	522.412	3.477	50	0		KGAARN
COc1ccc(N(CC(=O)N2CCN(c3ccccc3OC)CC2)S(=O)(=O)c2ccc(F)cc2)cc1	ZINC000004121855	552439502	/nfs/dbraw/zinc/43/95/02/552439502.db2.gz	WRPCLJBRJLAMIO-UHFFFAOYSA-N	0	0	513.591	3.387	50	0		KGAARN
COC(=O)c1ccc(C(=O)OC)c(NC(=O)c2cccc(C(=O)Nc3cc(C(=O)OC)ccc3C(=O)OC)c2)c1	ZINC000004151050	552443113	/nfs/dbraw/zinc/44/31/13/552443113.db2.gz	XAYHVUPFYDCGKJ-UHFFFAOYSA-N	0	0	548.504	3.338	50	0		KGAARN
CCOC(=O)CN1C(=O)[C@H]2[C@H](C1=O)C1(Br)c3ccccc3C2(Br)c2ccccc21	ZINC000004173630	552443900	/nfs/dbraw/zinc/44/39/00/552443900.db2.gz	ODQYFUXNJBTGBK-NFAVZRQZSA-N	0	0	519.189	3.455	50	0		KGAARN
NC(=O)C1CCN(C(=O)c2ccc3c(c2)nc(SCC(=O)NCc2ccccc2Cl)n(Cc2ccco2)c3=O)CC1	ZINC000004175802	552444366	/nfs/dbraw/zinc/44/43/66/552444366.db2.gz	SUKJZMABHJEWMZ-UHFFFAOYSA-N	0	0	594.093	3.437	50	0		KGAARN
CCOc1c(NC(=O)c2ccc(C(=O)OC)cc2)cc(NC(=O)c2ccc(C(=O)OC)cc2)cc1C(N)=O	ZINC000004177695	552445325	/nfs/dbraw/zinc/44/53/25/552445325.db2.gz	JUCOHGMZQCYHSQ-UHFFFAOYSA-N	0	0	519.510	3.262	50	0		KGAARN
CCCCCn1c(SCC(=O)NCCc2ccccc2)nc2cc(C(=O)N3CCC(C(N)=O)CC3)ccc2c1=O	ZINC000004177725	552445410	/nfs/dbraw/zinc/44/54/10/552445410.db2.gz	LRJZFLFXXIRUQB-UHFFFAOYSA-N	0	0	563.724	3.375	50	0		KGAARN
CCN1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4C[C@@H](C)C[C@H](C)C4)cc3)c2C(N)=O)C1	ZINC000004177741	552445310	/nfs/dbraw/zinc/44/53/10/552445310.db2.gz	SHSCKCJBUJSNRV-HOTGVXAUSA-N	0	0	504.678	3.144	50	0		KGAARN
CCOC(=O)N1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4CCc5ccccc5C4)cc3)c2C(N)=O)C1	ZINC000004177755	552445296	/nfs/dbraw/zinc/44/52/96/552445296.db2.gz	NHBXHUTXJUNZSL-UHFFFAOYSA-N	0	0	568.677	3.361	50	0		KGAARN
CCOC(=O)N1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4CCCC[C@@H]4C)cc3)c2C(N)=O)C1	ZINC000004177771	552445580	/nfs/dbraw/zinc/44/55/80/552445580.db2.gz	GGJPHKIFCLPRML-HNNXBMFYSA-N	0	0	534.660	3.177	50	0		KGAARN
CCOC(=O)N1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4CCCC[C@H]4C)cc3)c2C(N)=O)C1	ZINC000004177773	552445618	/nfs/dbraw/zinc/44/56/18/552445618.db2.gz	GGJPHKIFCLPRML-OAHLLOKOSA-N	0	0	534.660	3.177	50	0		KGAARN
CCCCN(C)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C(N)=O)CCN(C(=O)OCC)C3)cc1	ZINC000004177791	552445621	/nfs/dbraw/zinc/44/56/21/552445621.db2.gz	RQJXJORMKMDQOJ-UHFFFAOYSA-N	0	0	522.649	3.035	50	0		KGAARN
CCOC(=O)N1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4CCC(C)CC4)cc3)c2C(N)=O)C1	ZINC000004177792	552445615	/nfs/dbraw/zinc/44/56/15/552445615.db2.gz	QDQOHWNWFFKENO-UHFFFAOYSA-N	0	0	534.660	3.035	50	0		KGAARN
CCOC(=O)N1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4CCCCCC4)cc3)c2C(N)=O)C1	ZINC000004177793	552445572	/nfs/dbraw/zinc/44/55/72/552445572.db2.gz	BMOXXOBHRDDBAD-UHFFFAOYSA-N	0	0	534.660	3.179	50	0		KGAARN
CCCCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C(N)=O)CCN(C(=O)OCC)C3)cc1	ZINC000004177798	552445633	/nfs/dbraw/zinc/44/56/33/552445633.db2.gz	FIAYOZTXWAIETD-UHFFFAOYSA-N	0	0	536.676	3.425	50	0		KGAARN
CCOC(=O)N1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4C[C@H](C)C[C@H](C)C4)cc3)c2C(N)=O)C1	ZINC000004177799	552445656	/nfs/dbraw/zinc/44/56/56/552445656.db2.gz	GTYRRWBZIJNGSP-IYBDPMFKSA-N	0	0	548.687	3.281	50	0		KGAARN
CCOC(=O)N1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4C[C@@H](C)C[C@H](C)C4)cc3)c2C(N)=O)C1	ZINC000004177800	552445637	/nfs/dbraw/zinc/44/56/37/552445637.db2.gz	GTYRRWBZIJNGSP-HOTGVXAUSA-N	0	0	548.687	3.281	50	0		KGAARN
CCOC(=O)N1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4C[C@H](C)C[C@@H](C)C4)cc3)c2C(N)=O)C1	ZINC000004177801	552445589	/nfs/dbraw/zinc/44/55/89/552445589.db2.gz	GTYRRWBZIJNGSP-HZPDHXFCSA-N	0	0	548.687	3.281	50	0		KGAARN
CCOC(=O)N1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N(C)c4ccccc4)cc3)c2C(N)=O)C1	ZINC000004177806	552445611	/nfs/dbraw/zinc/44/56/11/552445611.db2.gz	TUPVTZXFUOJXOW-UHFFFAOYSA-N	0	0	542.639	3.439	50	0		KGAARN
CC(C)N1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4CCCC[C@H]4C)cc3)c2C(N)=O)C1	ZINC000004177828	552445573	/nfs/dbraw/zinc/44/55/73/552445573.db2.gz	CMCQKRDKHMULBX-MRXNPFEDSA-N	0	0	504.678	3.429	50	0		KGAARN
CC(C)N1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4CCC[C@@H](C)C4)cc3)c2C(N)=O)C1	ZINC000004177838	552445930	/nfs/dbraw/zinc/44/59/30/552445930.db2.gz	XRSRNVSFHRRJHJ-MRXNPFEDSA-N	0	0	504.678	3.286	50	0		KGAARN
CCCN(CCC)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C(N)=O)CCN(C(=O)OCC)C3)cc1	ZINC000004177844	552445904	/nfs/dbraw/zinc/44/59/04/552445904.db2.gz	SBSXLPQOZGEDOG-UHFFFAOYSA-N	0	0	536.676	3.425	50	0		KGAARN
CC1=CC(C)(C)N(C(=O)CN2C(=O)[C@@H]3CCCC[C@@H]3C2=O)c2ccc(OC(=O)CN3C(=O)[C@@H]4CCCC[C@H]4C3=O)cc21	ZINC000004181417	552446668	/nfs/dbraw/zinc/44/66/68/552446668.db2.gz	NRVFSIPBLSKDGU-KAOXLYBCSA-N	0	0	575.662	3.471	50	0		KGAARN
CCc1ccc(NC(=O)N2CCC3(CC2)C(=O)N(CC(=O)NC[C@@H]2CCCO2)CN3c2ccccc2)cc1	ZINC000004184879	552447128	/nfs/dbraw/zinc/44/71/28/552447128.db2.gz	MICVYOZSLNLKMX-VWLOTQADSA-N	0	0	519.646	3.217	50	0		KGAARN
CCc1ccc(NC(=O)N2CCC3(CC2)C(=O)N(CC(=O)NC[C@H]2CCCO2)CN3c2ccccc2)cc1	ZINC000004184880	552447106	/nfs/dbraw/zinc/44/71/06/552447106.db2.gz	MICVYOZSLNLKMX-RUZDIDTESA-N	0	0	519.646	3.217	50	0		KGAARN
O=C(CN1CN(c2ccccc2)C2(CCN(C(=O)COc3ccccc3)CC2)C1=O)NCc1ccccc1	ZINC000004185051	552447180	/nfs/dbraw/zinc/44/71/80/552447180.db2.gz	CCTUZRWCLZPOHC-UHFFFAOYSA-N	0	0	512.610	3.049	50	0		KGAARN
COCCNC(=O)CN1CN(c2ccccc2)C2(CCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2)C1=O	ZINC000004185052	552447171	/nfs/dbraw/zinc/44/71/71/552447171.db2.gz	ODDACCLVQIDQMQ-UHFFFAOYSA-N	0	0	526.637	3.397	50	0		KGAARN
COc1ccccc1NC(=O)N1CCC2(CC1)C(=O)N(CC(=O)N1CCCCC1)CN2c1ccccc1	ZINC000004185262	552447110	/nfs/dbraw/zinc/44/71/10/552447110.db2.gz	YICXHTCADZSQTD-UHFFFAOYSA-N	0	0	505.619	3.381	50	0		KGAARN
CC[C@H](C(=O)N1CCC2(CC1)C(=O)N(CC(=O)NCCCOC)CN2c1ccccc1)c1ccccc1	ZINC000004185266	552447131	/nfs/dbraw/zinc/44/71/31/552447131.db2.gz	YITNFHQQTPFNTP-VWLOTQADSA-N	0	0	506.647	3.000	50	0		KGAARN
CC[C@@H](C(=O)N1CCC2(CC1)C(=O)N(CC(=O)NCCCOC)CN2c1ccccc1)c1ccccc1	ZINC000004185267	552447359	/nfs/dbraw/zinc/44/73/59/552447359.db2.gz	YITNFHQQTPFNTP-RUZDIDTESA-N	0	0	506.647	3.000	50	0		KGAARN
COCCNC(=O)CN1CN(c2ccccc2)C2(CCN(C(=O)C(c3ccccc3)c3ccccc3)CC2)C1=O	ZINC000004185301	552447366	/nfs/dbraw/zinc/44/73/66/552447366.db2.gz	DYMLMUBXNJNFMF-UHFFFAOYSA-N	0	0	540.664	3.249	50	0		KGAARN
O=C(CN1CN(c2ccccc2)C2(CCN(C(=O)C3CC3)CC2)C1=O)NCc1cccc(C(F)(F)F)c1	ZINC000004185434	552447419	/nfs/dbraw/zinc/44/74/19/552447419.db2.gz	NYRYDPAYOJQGTB-UHFFFAOYSA-N	0	0	514.548	3.399	50	0		KGAARN
C[C@H](NC(=O)CN1CN(c2ccccc2)C2(CCN(S(=O)(=O)c3ccccc3)CC2)C1=O)c1ccccc1	ZINC000004187522	552447391	/nfs/dbraw/zinc/44/73/91/552447391.db2.gz	KSFBACJJVMYYCQ-QHCPKHFHSA-N	0	0	532.666	3.394	50	0		KGAARN
C[C@@H](NC(=O)CN1CN(c2ccccc2)C2(CCN(S(=O)(=O)c3ccccc3)CC2)C1=O)c1ccccc1	ZINC000004187526	552447416	/nfs/dbraw/zinc/44/74/16/552447416.db2.gz	KSFBACJJVMYYCQ-HSZRJFAPSA-N	0	0	532.666	3.394	50	0		KGAARN
CCCNC(=O)CN1CN(c2ccccc2)C2(CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)C1=O	ZINC000004187534	552447410	/nfs/dbraw/zinc/44/74/10/552447410.db2.gz	CLSMAYKVOAKHRE-UHFFFAOYSA-N	0	0	539.485	3.349	50	0		KGAARN
COc1ccccc1C(=O)N1CCC2(CC1)C(=O)N(CC(=O)NCCc1ccccc1)CN2c1ccccc1	ZINC000004187537	552447387	/nfs/dbraw/zinc/44/73/87/552447387.db2.gz	QUEQVNNBXIWCLR-UHFFFAOYSA-N	0	0	526.637	3.335	50	0		KGAARN
O=C(CN1CN(c2ccccc2)C2(CCN(C(=O)NCc3ccccc3)CC2)C1=O)NCCc1ccccc1	ZINC000004187976	552447658	/nfs/dbraw/zinc/44/76/58/552447658.db2.gz	POXULNCLUGWDBH-UHFFFAOYSA-N	0	0	525.653	3.396	50	0		KGAARN
O=C(CN1CN(c2ccccc2)C2(CCN(S(=O)(=O)c3ccc(F)cc3)CC2)C1=O)Nc1ccc(F)cc1	ZINC000004187996	552447682	/nfs/dbraw/zinc/44/76/82/552447682.db2.gz	UXBAMSXLBRIUCV-UHFFFAOYSA-N	0	0	540.592	3.433	50	0		KGAARN
CC(C)(C)c1ccc(S(=O)(=O)N2CCC3(CC2)C(=O)N(CC(=O)NC2CC2)CN3c2ccccc2)cc1	ZINC000004188900	552447618	/nfs/dbraw/zinc/44/76/18/552447618.db2.gz	FDYRHLHDTSLMBY-UHFFFAOYSA-N	0	0	524.687	3.092	50	0		KGAARN
COCCNC(=O)CN1CN(c2ccccc2)C2(CCN(C(=O)Nc3c(Cl)cccc3Cl)CC2)C1=O	ZINC000004188931	552447637	/nfs/dbraw/zinc/44/76/37/552447637.db2.gz	DZDRTQWHANYPIU-UHFFFAOYSA-N	0	0	534.444	3.429	50	0		KGAARN
COC(=O)[C@@](NC(=O)Nc1ccc([C@](O)(C(=O)OC)C(F)(F)F)cc1)(Oc1ccccc1)C(F)(F)F	ZINC000004208041	552448914	/nfs/dbraw/zinc/44/89/14/552448914.db2.gz	NETNGUSNIYFLOC-RBUKOAKNSA-N	0	0	524.370	3.242	50	0		KGAARN
COC(=O)[C@](O)(c1ccc(NC(=O)N[C@@](Oc2ccccc2)(C(=O)OC)C(F)(F)F)cc1)C(F)(F)F	ZINC000004208042	552448853	/nfs/dbraw/zinc/44/88/53/552448853.db2.gz	NETNGUSNIYFLOC-RTBURBONSA-N	0	0	524.370	3.242	50	0		KGAARN
COC(=O)[C@@](O)(c1ccc(NC(=O)N[C@](Oc2ccccc2)(C(=O)OC)C(F)(F)F)cc1)C(F)(F)F	ZINC000004208043	552448868	/nfs/dbraw/zinc/44/88/68/552448868.db2.gz	NETNGUSNIYFLOC-OALUTQOASA-N	0	0	524.370	3.242	50	0		KGAARN
COC(=O)[C@](O)(c1ccc(NC(=O)N[C@](Oc2ccccc2)(C(=O)OC)C(F)(F)F)cc1)C(F)(F)F	ZINC000004208045	552448902	/nfs/dbraw/zinc/44/89/02/552448902.db2.gz	NETNGUSNIYFLOC-MOPGFXCFSA-N	0	0	524.370	3.242	50	0		KGAARN
O=C(CN1C(=O)c2ccc(C(=O)OCC(=O)c3ccc(Cl)cc3)cc2C1=O)NCC(=O)OCC(=O)c1ccc(Cl)cc1	ZINC000004211678	552449313	/nfs/dbraw/zinc/44/93/13/552449313.db2.gz	FISKYHLALDRLOO-UHFFFAOYSA-N	0	0	611.390	3.171	50	0		KGAARN
c1ccc2c(c1)OCCOCCOCCOCCOc1ccccc1OCCOCCOCCOCCO2	ZINC000004254217	552452665	/nfs/dbraw/zinc/45/26/65/552452665.db2.gz	MXCSCGGRLMRZMF-UHFFFAOYSA-N	0	0	536.618	3.015	50	0		KGAARN
S=C(Nc1ccccc1)N1CCOCCOCCN(C(=S)Nc2ccccc2)CCOCCOCC1	ZINC000004255545	552452575	/nfs/dbraw/zinc/45/25/75/552452575.db2.gz	AONDLFGWNROYGF-UHFFFAOYSA-N	0	0	532.732	3.464	50	0		KGAARN
O=C(OCc1ccccc1)N1CCOCCOCCN(C(=O)OCc2ccccc2)CCOCCOCC1	ZINC000004256053	552452886	/nfs/dbraw/zinc/45/28/86/552452886.db2.gz	OGTOXAOAMLUWJU-UHFFFAOYSA-N	0	0	530.618	3.344	50	0		KGAARN
CC1(C)CC(NC(=O)c2cc(C(=O)NC3CC(C)(C)[NH2+]C(C)(C)C3)c(C(=O)[O-])cc2C(=O)[O-])CC(C)(C)[NH2+]1	ZINC000004256484	552452889	/nfs/dbraw/zinc/45/28/89/552452889.db2.gz	QQBNBHKOVNNBCV-UHFFFAOYSA-N	0	0	530.666	3.161	50	0		KGAARN
[NH3+][C@@H](Cc1cc(I)c(Oc2ccc(O)cc2)c(I)c1)C(=O)[O-]	ZINC000004258247	574412241	/nfs/dbraw/zinc/41/22/41/574412241.db2.gz	ZHSOTLOTTDYIIK-ZDUSSCGKSA-N	0	0	525.080	3.348	50	0	endogenous,in-man	KGAARN
[NH3+][C@H](Cc1cc(I)c(Oc2ccc(O)cc2)c(I)c1)C(=O)[O-]	ZINC000004258248	574412280	/nfs/dbraw/zinc/41/22/80/574412280.db2.gz	ZHSOTLOTTDYIIK-CYBMUJFWSA-N	0	0	525.080	3.348	50	0	endogenous,in-man	KGAARN
Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)c3ccccc3)cc2)cc1S(=O)(=O)N1CCOCC1	ZINC000004258628	552453796	/nfs/dbraw/zinc/45/37/96/552453796.db2.gz	PROCFDIMYHUJKS-UHFFFAOYSA-N	0	0	500.598	3.101	50	0		KGAARN
CCOC(=O)c1sc2ncn(CC(=O)Nc3sc(C(=O)OCC)c(C)c3C(=O)OCC)c(=O)c2c1C	ZINC000004291033	552456408	/nfs/dbraw/zinc/45/64/08/552456408.db2.gz	CXKBBZJOJGUWOF-UHFFFAOYSA-N	0	0	535.600	3.305	50	0		KGAARN
CCOC(=O)c1sc(NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)nc1-c1ccccc1	ZINC000004427902	552460529	/nfs/dbraw/zinc/46/05/29/552460529.db2.gz	UOFOMNYXNVWBRH-UHFFFAOYSA-N	0	0	501.586	3.260	50	0		KGAARN
CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(N4CCOCC4)o3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2	ZINC000004489258	552461946	/nfs/dbraw/zinc/46/19/46/552461946.db2.gz	AYXZZSKDDFAGGJ-GFPOGIEWSA-N	0	0	585.638	3.094	50	0		KGAARN
CCN(C(=O)CSC1=N/C(=C\c2ccco2)C(=O)N1c1ccc(OC)c(Cl)c1)[C@H]1CCS(=O)(=O)C1	ZINC000004505717	552462144	/nfs/dbraw/zinc/46/21/44/552462144.db2.gz	QLROSTCHJKQOIE-JJBLJPBOSA-N	0	0	538.047	3.454	50	0		KGAARN
CCOc1ccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)O[C@@H](C)C(=O)Nc3ccc(S(N)(=O)=O)cc3)c2)cc1	ZINC000004522094	552462394	/nfs/dbraw/zinc/46/23/94/552462394.db2.gz	LZQVRPUSUMRRKR-HNNXBMFYSA-N	0	0	582.056	3.371	50	0		KGAARN
CC(=O)c1ccc(NC(=O)[C@H](C)OC(=O)c2ccc(NS(=O)(=O)c3ccc4[nH]c(=O)[nH]c4c3)cc2)cc1	ZINC000004529169	552463133	/nfs/dbraw/zinc/46/31/33/552463133.db2.gz	HTGBNEWCHAXMAO-HNNXBMFYSA-N	0	0	522.539	3.044	50	0		KGAARN
CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O	ZINC000004534189	552463840	/nfs/dbraw/zinc/46/38/40/552463840.db2.gz	KYRVGMSGNSHJEA-SDHOMARFSA-N	0	0	581.739	3.054	50	0		KGAARN
CSCC[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O	ZINC000004534190	552463847	/nfs/dbraw/zinc/46/38/47/552463847.db2.gz	KYRVGMSGNSHJEA-CCDWMCETSA-N	0	0	581.739	3.054	50	0		KGAARN
COc1ccc(C(OC[C@H]2O[C@@H](n3cnc4c3nc(N)[nH]c4=O)C[C@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1	ZINC000004543899	552465272	/nfs/dbraw/zinc/46/52/72/552465272.db2.gz	MYYFNUIYWITFIV-TWJOJJKGSA-N	0	0	569.618	3.376	50	0		KGAARN
COc1ccc(C(OC[C@H]2O[C@@H](n3cnc4c3nc(N)[nH]c4=O)C[C@@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1	ZINC000004543905	552465243	/nfs/dbraw/zinc/46/52/43/552465243.db2.gz	MYYFNUIYWITFIV-JIMJEQGWSA-N	0	0	569.618	3.376	50	0		KGAARN
COc1ccc(C(OC[C@@H]2O[C@@H](n3ccc(=O)[nH]c3=O)C[C@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1	ZINC000004543918	552465253	/nfs/dbraw/zinc/46/52/53/552465253.db2.gz	BYGKUWPLEGHFKX-FULLSBAXSA-N	0	0	530.577	3.211	50	0		KGAARN
COc1ccc(C(OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)C[C@@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1	ZINC000004543921	552465275	/nfs/dbraw/zinc/46/52/75/552465275.db2.gz	BYGKUWPLEGHFKX-ZRRKCSAHSA-N	0	0	530.577	3.211	50	0		KGAARN
COc1ccc(C(OC[C@@H]2O[C@@H](n3ccc(=O)[nH]c3=O)C[C@@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1	ZINC000004543924	552465229	/nfs/dbraw/zinc/46/52/29/552465229.db2.gz	BYGKUWPLEGHFKX-UNCTUWKVSA-N	0	0	530.577	3.211	50	0		KGAARN
O=C1CCCN1Cc1cc2c(cc1CN1CCCC1=O)OCCOCCOc1cc(CN3CCCC3=O)c(CN3CCCC3=O)cc1OCCOCCO2	ZINC000004577544	552468722	/nfs/dbraw/zinc/46/87/22/552468722.db2.gz	IBUCDZMFMLYCTK-UHFFFAOYSA-N	0	0	748.874	3.438	50	0		KGAARN
O=C(NCCc1ccccc1)c1cnc2ccc(S(=O)(=O)Nc3ccc4c(c3)OCCO4)cc2c1O	ZINC000004647501	552470835	/nfs/dbraw/zinc/47/08/35/552470835.db2.gz	HKBAKYLPQLPNFM-UHFFFAOYSA-N	0	0	505.552	3.073	50	0		KGAARN
COc1ccc(CNC(=O)c2cnc3ccc(S(=O)(=O)Nc4ccc5c(c4)OCCO5)cc3c2O)cc1	ZINC000004647510	552470719	/nfs/dbraw/zinc/47/07/19/552470719.db2.gz	ACPWEQKVWKDBCN-UHFFFAOYSA-N	0	0	521.551	3.039	50	0		KGAARN
COc1ccc(CCNC(=O)c2cnc3ccc(S(=O)(=O)N4CCc5ccccc54)cc3c2O)cc1OC	ZINC000004654439	552471120	/nfs/dbraw/zinc/47/11/20/552471120.db2.gz	FJMKUSVXPPNGLN-UHFFFAOYSA-N	0	0	533.606	3.269	50	0		KGAARN
COc1cccc(-n2c(N)c3c(C)nnc-3nc2SCC(=O)NCCc2ccc(OC)c(OC)c2)c1	ZINC000004654489	552471146	/nfs/dbraw/zinc/47/11/46/552471146.db2.gz	XPDIARDTCFVQRR-UHFFFAOYSA-N	0	0	508.604	3.013	50	0		KGAARN
COc1ccccc1N1CCN(C(=O)[C@@H]2c3cc(OC)c(OC)cc3C(=O)N(C)[C@@H]2c2cccnc2)CC1	ZINC000004733330	552473875	/nfs/dbraw/zinc/47/38/75/552473875.db2.gz	JDFMNGFBEMYAGX-KAYWLYCHSA-N	0	0	516.598	3.367	50	0		KGAARN
COc1ccccc1N1CCN(C(=O)[C@@H]2c3cc(OC)c(OC)cc3C(=O)N(C)[C@H]2c2cccnc2)CC1	ZINC000004733334	552473878	/nfs/dbraw/zinc/47/38/78/552473878.db2.gz	JDFMNGFBEMYAGX-SXOMAYOGSA-N	0	0	516.598	3.367	50	0		KGAARN
COc1ccccc1N1CCN(C(=O)[C@H]2c3cc(OC)c(OC)cc3C(=O)N(C)[C@@H]2c2cccnc2)CC1	ZINC000004733339	552473826	/nfs/dbraw/zinc/47/38/26/552473826.db2.gz	JDFMNGFBEMYAGX-RRPNLBNLSA-N	0	0	516.598	3.367	50	0		KGAARN
COc1ccccc1N1CCN(C(=O)[C@H]2c3cc(OC)c(OC)cc3C(=O)N(C)[C@H]2c2cccnc2)CC1	ZINC000004733343	552473866	/nfs/dbraw/zinc/47/38/66/552473866.db2.gz	JDFMNGFBEMYAGX-SVBPBHIXSA-N	0	0	516.598	3.367	50	0		KGAARN
COc1cc2c(cc1OC)[C@@H](C(=O)N1CCN(c3ccccc3F)CC1)[C@@H](c1cccnc1)N(C)C2=O	ZINC000004733354	552473880	/nfs/dbraw/zinc/47/38/80/552473880.db2.gz	NSDCOSMUQHOXCX-CLJLJLNGSA-N	0	0	504.562	3.497	50	0		KGAARN
COc1cc2c(cc1OC)[C@@H](C(=O)N1CCN(c3ccccc3F)CC1)[C@H](c1cccnc1)N(C)C2=O	ZINC000004733356	552473841	/nfs/dbraw/zinc/47/38/41/552473841.db2.gz	NSDCOSMUQHOXCX-FTJBHMTQSA-N	0	0	504.562	3.497	50	0		KGAARN
COc1cc2c(cc1OC)[C@H](C(=O)N1CCN(c3ccccc3F)CC1)[C@@H](c1cccnc1)N(C)C2=O	ZINC000004733358	552473883	/nfs/dbraw/zinc/47/38/83/552473883.db2.gz	NSDCOSMUQHOXCX-IZZNHLLZSA-N	0	0	504.562	3.497	50	0		KGAARN
COc1cc2c(cc1OC)[C@H](C(=O)N1CCN(c3ccccc3F)CC1)[C@H](c1cccnc1)N(C)C2=O	ZINC000004733363	552473859	/nfs/dbraw/zinc/47/38/59/552473859.db2.gz	NSDCOSMUQHOXCX-UIOOFZCWSA-N	0	0	504.562	3.497	50	0		KGAARN
COc1cc2c(cc1OC)[C@@H](C(=O)N1CCN(c3ccc(F)cc3)CC1)[C@@H](c1cccnc1)N(C)C2=O	ZINC000004733703	552474094	/nfs/dbraw/zinc/47/40/94/552474094.db2.gz	UPWKBUYQRACRAH-CLJLJLNGSA-N	0	0	504.562	3.497	50	0		KGAARN
COc1cc2c(cc1OC)[C@@H](C(=O)N1CCN(c3ccc(F)cc3)CC1)[C@H](c1cccnc1)N(C)C2=O	ZINC000004733707	552474125	/nfs/dbraw/zinc/47/41/25/552474125.db2.gz	UPWKBUYQRACRAH-FTJBHMTQSA-N	0	0	504.562	3.497	50	0		KGAARN
COc1cc2c(cc1OC)[C@H](C(=O)N1CCN(c3ccc(F)cc3)CC1)[C@@H](c1cccnc1)N(C)C2=O	ZINC000004733715	552474127	/nfs/dbraw/zinc/47/41/27/552474127.db2.gz	UPWKBUYQRACRAH-IZZNHLLZSA-N	0	0	504.562	3.497	50	0		KGAARN
COc1cc2c(cc1OC)[C@H](C(=O)N1CCN(c3ccc(F)cc3)CC1)[C@H](c1cccnc1)N(C)C2=O	ZINC000004733718	552474088	/nfs/dbraw/zinc/47/40/88/552474088.db2.gz	UPWKBUYQRACRAH-UIOOFZCWSA-N	0	0	504.562	3.497	50	0		KGAARN
Cc1sc2ncn(CC(=O)N3CCN(c4cccc(Cl)c4)CC3)c(=O)c2c1S(=O)(=O)N1C[C@H](C)C[C@H](C)C1	ZINC000004766028	552479897	/nfs/dbraw/zinc/47/98/97/552479897.db2.gz	HCHRFBKXOQPAQT-HDICACEKSA-N	0	0	578.160	3.435	50	0		KGAARN
Cc1sc2ncn(CC(=O)N3CCN(c4cccc(Cl)c4)CC3)c(=O)c2c1S(=O)(=O)N1C[C@@H](C)C[C@H](C)C1	ZINC000004766033	552479947	/nfs/dbraw/zinc/47/99/47/552479947.db2.gz	HCHRFBKXOQPAQT-ROUUACIJSA-N	0	0	578.160	3.435	50	0		KGAARN
Cc1sc2ncn(CC(=O)N3CCN(c4cccc(Cl)c4)CC3)c(=O)c2c1S(=O)(=O)N1C[C@H](C)C[C@@H](C)C1	ZINC000004766034	552479917	/nfs/dbraw/zinc/47/99/17/552479917.db2.gz	HCHRFBKXOQPAQT-QZTJIDSGSA-N	0	0	578.160	3.435	50	0		KGAARN
CCOC(=O)N1CCN(C(=O)CS(=O)(=O)c2cn(Cc3ccc(Cl)cc3)c3ccccc23)CC1	ZINC000004766299	552480194	/nfs/dbraw/zinc/48/01/94/552480194.db2.gz	SXCKTOGBUULVJC-UHFFFAOYSA-N	0	0	504.008	3.417	50	0		KGAARN
CCOC(=O)N1CCN(C(=O)CS(=O)(=O)c2cn(Cc3ccccc3Cl)c3ccccc23)CC1	ZINC000004766321	552480178	/nfs/dbraw/zinc/48/01/78/552480178.db2.gz	BJWJYVREKJFWRQ-UHFFFAOYSA-N	0	0	504.008	3.417	50	0		KGAARN
COc1ccc(Cn2c(=O)[nH]c3cc(C(=O)N4CCN(c5cccc(Cl)c5)CC4)ccc3c2=O)cc1	ZINC000004766459	552480185	/nfs/dbraw/zinc/48/01/85/552480185.db2.gz	GBLCTGRQYYTPDA-UHFFFAOYSA-N	0	0	504.974	3.363	50	0		KGAARN
COc1ccc(Cn2c(=O)[nH]c3cc(C(=O)N4CCN(c5ccc(Cl)cc5)CC4)ccc3c2=O)cc1	ZINC000004766470	552480147	/nfs/dbraw/zinc/48/01/47/552480147.db2.gz	UKSWXUOFEVOOHL-UHFFFAOYSA-N	0	0	504.974	3.363	50	0		KGAARN
O=C(NCCCN1CCN(c2ccccc2F)CC1)c1ccc2c(c1)[nH]c(=O)n(CCc1ccccc1)c2=O	ZINC000004766502	552480546	/nfs/dbraw/zinc/48/05/46/552480546.db2.gz	XGKAFKDGGYKNCO-UHFFFAOYSA-N	0	0	529.616	3.014	50	0		KGAARN
O=C(CCCn1c(=O)[nH]c2ccc(Br)cc2c1=O)N1CCN(c2cccc(Cl)c2)CC1	ZINC000004766546	552480524	/nfs/dbraw/zinc/48/05/24/552480524.db2.gz	RYSNHWDXASEURV-UHFFFAOYSA-N	0	0	505.800	3.235	50	0		KGAARN
O=C(CCCn1c(=O)[nH]c2ccc(Br)cc2c1=O)N1CCN(c2ccc(Cl)cc2)CC1	ZINC000004766559	552480572	/nfs/dbraw/zinc/48/05/72/552480572.db2.gz	XBMVIRMWFDDBTL-UHFFFAOYSA-N	0	0	505.800	3.235	50	0		KGAARN
O=C(NCCN1CCN(c2cccc(Cl)c2)CC1)c1ccc2c(c1)[nH]c(=O)n(CCc1ccccc1)c2=O	ZINC000004766597	552480518	/nfs/dbraw/zinc/48/05/18/552480518.db2.gz	NEYNRQZITSFXSH-UHFFFAOYSA-N	0	0	532.044	3.138	50	0		KGAARN
COc1cc2[nH]c(=O)n(Cc3ccc(C(=O)N4CCN(c5cccc(Cl)c5)CC4)cc3)c(=O)c2cc1OC	ZINC000004766703	552480704	/nfs/dbraw/zinc/48/07/04/552480704.db2.gz	DCKHRXSAVUKYQM-UHFFFAOYSA-N	0	0	535.000	3.371	50	0		KGAARN
COc1cc2[nH]c(=O)n(Cc3ccc(C(=O)N4CCN(c5cc(C)ccc5C)CC4)cc3)c(=O)c2cc1OC	ZINC000004766712	552480639	/nfs/dbraw/zinc/48/06/39/552480639.db2.gz	IGRUVMVRXMYYGN-UHFFFAOYSA-N	0	0	528.609	3.335	50	0		KGAARN
COc1cc2[nH]c(=O)n(Cc3ccc(C(=O)N4CCN(c5cccc(C)c5C)CC4)cc3)c(=O)c2cc1OC	ZINC000004766718	552480642	/nfs/dbraw/zinc/48/06/42/552480642.db2.gz	PEQPITJUESDYTQ-UHFFFAOYSA-N	0	0	528.609	3.335	50	0		KGAARN
COc1cc2[nH]c(=O)n(CCCCCC(=O)N3CCN(c4cccc(Cl)c4)CC3)c(=O)c2cc1OC	ZINC000004766754	552480635	/nfs/dbraw/zinc/48/06/35/552480635.db2.gz	BKKKZOCUVROKPW-UHFFFAOYSA-N	0	0	515.010	3.270	50	0		KGAARN
COc1cc2[nH]c(=O)n(CCCCCC(=O)N3CCN(c4cc(C)ccc4C)CC3)c(=O)c2cc1OC	ZINC000004766760	552480679	/nfs/dbraw/zinc/48/06/79/552480679.db2.gz	GXWUWYKWDIEASM-UHFFFAOYSA-N	0	0	508.619	3.233	50	0		KGAARN
COc1cc2[nH]c(=O)n(CCCCCC(=O)N3CCN(c4cccc(C)c4C)CC3)c(=O)c2cc1OC	ZINC000004766765	552480646	/nfs/dbraw/zinc/48/06/46/552480646.db2.gz	NEUYMRTVDNBYTE-UHFFFAOYSA-N	0	0	508.619	3.233	50	0		KGAARN
COc1cc2[nH]c(=O)n(CCCCCC(=O)N3CCN(c4ccc(Cl)cc4)CC3)c(=O)c2cc1OC	ZINC000004766769	552480655	/nfs/dbraw/zinc/48/06/55/552480655.db2.gz	QFKPBQKCUHYDQS-UHFFFAOYSA-N	0	0	515.010	3.270	50	0		KGAARN
COc1ccccc1N1CCN(C(=O)CCC(=O)Nc2ccc3nc(N4CCOCC4)cc(C)c3c2)CC1	ZINC000004787334	552482078	/nfs/dbraw/zinc/48/20/78/552482078.db2.gz	DYSXSMVFQGMQDO-UHFFFAOYSA-N	0	0	517.630	3.456	50	0		KGAARN
O=C(CNS(=O)(=O)c1ccc(Br)s1)N1CCN(c2cccc(C(F)(F)F)c2)CC1	ZINC000004787734	552482387	/nfs/dbraw/zinc/48/23/87/552482387.db2.gz	DAMXZNBSZHVCLN-UHFFFAOYSA-N	0	0	512.373	3.157	50	0		KGAARN
O=C(CCCCCn1c(=O)c2sccc2n(CC(=O)N2CCN(c3ccccc3)CC2)c1=O)NCc1ccc2c(c1)OCO2	ZINC000004789441	552482862	/nfs/dbraw/zinc/48/28/62/552482862.db2.gz	YYBJWXPDKBNDEK-UHFFFAOYSA-N	0	0	617.728	3.179	50	0		KGAARN
O=C(Cn1c2sc3c(c2c(=O)n(-c2ccccc2)c1=O)CCCC3)N1CCN(c2ccccc2)CC1	ZINC000004789945	552483212	/nfs/dbraw/zinc/48/32/12/552483212.db2.gz	VPMFJUZQMNQIIW-UHFFFAOYSA-N	0	0	500.624	3.442	50	0		KGAARN
O=C(Cn1c2ccccc2c(=O)n(Cc2ccc(C(=O)NCc3ccc4c(c3)OCO4)cc2)c1=O)N1CCN(c2ccccc2)CC1	ZINC000004790092	552483424	/nfs/dbraw/zinc/48/34/24/552483424.db2.gz	CRHMNQCJJGOFEO-UHFFFAOYSA-N	0	0	631.689	3.219	50	0		KGAARN
O=C(Cn1c(=O)n(Cc2ccc(C(=O)NCc3ccco3)cc2)c(=O)c2ccccc21)N1CCN(c2ccccc2)CC1	ZINC000004790099	552483365	/nfs/dbraw/zinc/48/33/65/552483365.db2.gz	MBOWIDNJIGUGJO-UHFFFAOYSA-N	0	0	577.641	3.083	50	0		KGAARN
O=C(CCCCn1c(=O)c2ccccc2n(CC(=O)N2CCN(c3ccccc3)CC2)c1=O)NCCc1ccccc1	ZINC000004790149	552483383	/nfs/dbraw/zinc/48/33/83/552483383.db2.gz	ATIHRGLDJKTBGV-UHFFFAOYSA-N	0	0	567.690	3.041	50	0		KGAARN
O=C(CCCn1c(=O)c2ccccc2n(CC(=O)N2CCN(c3ccccc3)CC2)c1=O)NCc1ccccc1Cl	ZINC000004790152	552483347	/nfs/dbraw/zinc/48/33/47/552483347.db2.gz	FNEGWHNBLFDQPH-UHFFFAOYSA-N	0	0	574.081	3.262	50	0		KGAARN
COc1ccccc1NC(=O)Cn1cc(S(=O)(=O)N2CCN(c3ccccc3F)CC2)c2ccccc2c1=O	ZINC000004790715	552483869	/nfs/dbraw/zinc/48/38/69/552483869.db2.gz	PATYRCUGIGZKEQ-UHFFFAOYSA-N	0	0	550.612	3.299	50	0		KGAARN
O=C(Cn1cc(S(=O)(=O)N2CCN(c3ccccc3F)CC2)c2ccccc2c1=O)Nc1ccc(F)cc1	ZINC000004790718	552483881	/nfs/dbraw/zinc/48/38/81/552483881.db2.gz	WBFZRPARZWGLLE-UHFFFAOYSA-N	0	0	538.576	3.429	50	0		KGAARN
O=C(Cn1cc(S(=O)(=O)N2CCN(c3ccccc3F)CC2)c2ccccc2c1=O)NC1CCCCC1	ZINC000004790727	552484163	/nfs/dbraw/zinc/48/41/63/552484163.db2.gz	QFTQFFDYACEPRM-UHFFFAOYSA-N	0	0	526.634	3.100	50	0		KGAARN
COc1ccc(NC(=O)Cn2cc(S(=O)(=O)N3CCN(c4ccccc4F)CC3)c3ccccc3c2=O)c(OC)c1	ZINC000004790745	552484175	/nfs/dbraw/zinc/48/41/75/552484175.db2.gz	QGEQTYOYVWBFSS-UHFFFAOYSA-N	0	0	580.638	3.307	50	0		KGAARN
COc1ccc(NC(=O)Cn2cc(S(=O)(=O)N3CCN(c4ccccc4F)CC3)c3ccccc3c2=O)cc1OC	ZINC000004790753	552484188	/nfs/dbraw/zinc/48/41/88/552484188.db2.gz	UOSDDWUVSJKTNJ-UHFFFAOYSA-N	0	0	580.638	3.307	50	0		KGAARN
O=C(Cn1cc(S(=O)(=O)N2CCN(c3ccccc3F)CC2)c2ccccc2c1=O)Nc1ccccc1F	ZINC000004790758	552484184	/nfs/dbraw/zinc/48/41/84/552484184.db2.gz	OBQQLZRNUCCZFG-UHFFFAOYSA-N	0	0	538.576	3.429	50	0		KGAARN
COc1cccc(NC(=O)Cn2cc(S(=O)(=O)N3CCN(c4ccccc4F)CC3)c3ccccc3c2=O)c1	ZINC000004790766	552484198	/nfs/dbraw/zinc/48/41/98/552484198.db2.gz	PQNFGMIJCFRPPH-UHFFFAOYSA-N	0	0	550.612	3.299	50	0		KGAARN
COc1cc(NC(=O)Cn2cc(S(=O)(=O)N3CCN(c4ccccc4F)CC3)c3ccccc3c2=O)cc(OC)c1OC	ZINC000004790770	552484186	/nfs/dbraw/zinc/48/41/86/552484186.db2.gz	CFBVTVFPAZMBAA-UHFFFAOYSA-N	0	0	610.664	3.316	50	0		KGAARN
O=C(Cn1cc(S(=O)(=O)N2CCN(c3ccccc3F)CC2)c2ccccc2c1=O)Nc1ccc2c(c1)OCCO2	ZINC000004790790	552484189	/nfs/dbraw/zinc/48/41/89/552484189.db2.gz	FYDDVYIUXCADNC-UHFFFAOYSA-N	0	0	578.622	3.061	50	0		KGAARN
O=C(Cn1cc(S(=O)(=O)N2CCN(c3ccccc3F)CC2)c2ccccc2c1=O)N1CCCCCC1	ZINC000004790809	552484185	/nfs/dbraw/zinc/48/41/85/552484185.db2.gz	IVIPFNWMWMAZIW-UHFFFAOYSA-N	0	0	526.634	3.054	50	0		KGAARN
COc1ccccc1N1CCN(C(=O)Cn2cc(S(=O)(=O)N3CCN(c4ccccc4F)CC3)c3ccccc3c2=O)CC1	ZINC000004790813	552484200	/nfs/dbraw/zinc/48/42/00/552484200.db2.gz	JURZXDFFFWXDNQ-UHFFFAOYSA-N	0	0	619.719	3.009	50	0		KGAARN
O=C(Cn1cc(S(=O)(=O)N2CCN(c3ccccc3F)CC2)c2ccccc2c1=O)N1CCN(c2ccccc2F)CC1	ZINC000004790823	552484165	/nfs/dbraw/zinc/48/41/65/552484165.db2.gz	MSSFYLCSZUCDLC-UHFFFAOYSA-N	0	0	607.683	3.139	50	0		KGAARN
O=C(Cn1cc(S(=O)(=O)N2CCN(c3ccccc3F)CC2)c2ccccc2c1=O)N1CCN(c2ccccc2)CC1	ZINC000004790852	552484178	/nfs/dbraw/zinc/48/41/78/552484178.db2.gz	RQUSVASHAFANLT-UHFFFAOYSA-N	0	0	589.693	3.000	50	0		KGAARN
O=C(Cn1cc(S(=O)(=O)N2CCN(c3ccccc3F)CC2)c2ccccc2c1=O)NCc1ccc(F)cc1	ZINC000004790887	552484439	/nfs/dbraw/zinc/48/44/39/552484439.db2.gz	VJQWRHINPYPNCQ-UHFFFAOYSA-N	0	0	552.603	3.107	50	0		KGAARN
COc1ccc(OC)c(NC(=O)Cn2cc(S(=O)(=O)N3CCN(c4ccccc4F)CC3)c3ccccc3c2=O)c1	ZINC000004790913	552484362	/nfs/dbraw/zinc/48/43/62/552484362.db2.gz	GTDCDAGKIRNKPT-UHFFFAOYSA-N	0	0	580.638	3.307	50	0		KGAARN
CCCCN(CC)C(=O)Cn1cc(S(=O)(=O)N2CCN(c3ccccc3F)CC2)c2ccccc2c1=O	ZINC000004790917	552484394	/nfs/dbraw/zinc/48/43/94/552484394.db2.gz	CXSWRDSQPGYLEW-UHFFFAOYSA-N	0	0	528.650	3.300	50	0		KGAARN
C[C@@H]1C[C@H](C)CN(C(=O)Cn2cc(S(=O)(=O)N3CCN(c4ccccc4F)CC3)c3ccccc3c2=O)C1	ZINC000004790932	552484375	/nfs/dbraw/zinc/48/43/75/552484375.db2.gz	LJPZJMZZNZQSEJ-OYRHEFFESA-N	0	0	540.661	3.156	50	0		KGAARN
C[C@H]1C[C@H](C)CN(C(=O)Cn2cc(S(=O)(=O)N3CCN(c4ccccc4F)CC3)c3ccccc3c2=O)C1	ZINC000004790937	552484414	/nfs/dbraw/zinc/48/44/14/552484414.db2.gz	LJPZJMZZNZQSEJ-SFTDATJTSA-N	0	0	540.661	3.156	50	0		KGAARN
C[C@@H]1C[C@@H](C)CN(C(=O)Cn2cc(S(=O)(=O)N3CCN(c4ccccc4F)CC3)c3ccccc3c2=O)C1	ZINC000004790940	552484423	/nfs/dbraw/zinc/48/44/23/552484423.db2.gz	LJPZJMZZNZQSEJ-NHCUHLMSSA-N	0	0	540.661	3.156	50	0		KGAARN
O=C(Cn1cc(S(=O)(=O)N2CCN(c3ccccc3F)CC2)c2ccccc2c1=O)N1CCN(c2ccc(F)cc2)CC1	ZINC000004790950	552484315	/nfs/dbraw/zinc/48/43/15/552484315.db2.gz	NGALMVZZWAHYQN-UHFFFAOYSA-N	0	0	607.683	3.139	50	0		KGAARN
CCOC(=O)c1ccccc1NC(=O)Cn1cc(S(=O)(=O)N2CCN(c3ccccc3F)CC2)c2ccccc2c1=O	ZINC000004790961	552484366	/nfs/dbraw/zinc/48/43/66/552484366.db2.gz	AVKOHRPSOCANIG-UHFFFAOYSA-N	0	0	592.649	3.467	50	0		KGAARN
COc1ccc(N(C)C(=O)Cn2cc(S(=O)(=O)N3CCN(c4ccccc4F)CC3)c3ccccc3c2=O)c(OC)c1	ZINC000004791035	552484336	/nfs/dbraw/zinc/48/43/36/552484336.db2.gz	IFTJWNUOIQCCEQ-UHFFFAOYSA-N	0	0	594.665	3.332	50	0		KGAARN
O=C(Cn1cc(S(=O)(=O)N2CCN(c3ccccc3F)CC2)c2ccccc2c1=O)NCc1cccs1	ZINC000004791063	552484674	/nfs/dbraw/zinc/48/46/74/552484674.db2.gz	DXASMJNZWMBKDU-UHFFFAOYSA-N	0	0	540.642	3.029	50	0		KGAARN
O=C(Cn1cc(S(=O)(=O)N2CCN(c3ccccc3F)CC2)c2ccccc2c1=O)Nc1ccc(Cl)cn1	ZINC000004791077	552484654	/nfs/dbraw/zinc/48/46/54/552484654.db2.gz	MFIHJGOLEYZAKH-UHFFFAOYSA-N	0	0	556.019	3.339	50	0		KGAARN
CC1CCN(S(=O)(=O)c2cn(CC(=O)N3CCN(c4cccc(Cl)c4)CC3)c(=O)c3ccccc32)CC1	ZINC000004791090	552484666	/nfs/dbraw/zinc/48/46/66/552484666.db2.gz	OWHFJYSVJVUIDH-UHFFFAOYSA-N	0	0	543.089	3.424	50	0		KGAARN
O=C(NCCN1CCN(c2ccccc2)CC1)[C@@H](NS(=O)(=O)c1ccc(Br)s1)c1ccccc1	ZINC000004794066	552485600	/nfs/dbraw/zinc/48/56/00/552485600.db2.gz	BUSJLDXPEQJECA-QHCPKHFHSA-N	0	0	563.543	3.469	50	0		KGAARN
O=C(NCCN1CCN(c2ccccc2)CC1)[C@H](NS(=O)(=O)c1ccc(Br)s1)c1ccccc1	ZINC000004794069	552485564	/nfs/dbraw/zinc/48/55/64/552485564.db2.gz	BUSJLDXPEQJECA-HSZRJFAPSA-N	0	0	563.543	3.469	50	0		KGAARN
COc1cccc(N2CCN(C(=O)C3CCN(S(=O)(=O)c4ccc(Br)s4)CC3)CC2)c1	ZINC000004794072	552485482	/nfs/dbraw/zinc/48/54/82/552485482.db2.gz	PSYRTYYXCDFGRF-UHFFFAOYSA-N	0	0	528.494	3.269	50	0		KGAARN
CC(=O)c1ccc(N2CCN(C(=O)C3CCN(S(=O)(=O)c4ccc(Br)s4)CC3)CC2)cc1	ZINC000004794084	552485629	/nfs/dbraw/zinc/48/56/29/552485629.db2.gz	HNXZMPSXLZOVHO-UHFFFAOYSA-N	0	0	540.505	3.463	50	0		KGAARN
O=C(C1CCN(S(=O)(=O)c2ccc(Br)s2)CC1)N1CCN(c2ccc(F)cc2)CC1	ZINC000004794089	552485585	/nfs/dbraw/zinc/48/55/85/552485585.db2.gz	KNXDWLDGTCCXIL-UHFFFAOYSA-N	0	0	516.458	3.399	50	0		KGAARN
O=C(C1CCN(S(=O)(=O)c2ccc(Br)s2)CC1)N1CCN(c2ccccc2F)CC1	ZINC000004794092	552485903	/nfs/dbraw/zinc/48/59/03/552485903.db2.gz	ZRWNKHFVBUIRTG-UHFFFAOYSA-N	0	0	516.458	3.399	50	0		KGAARN
COc1cccc(N2CCN(C(=O)[C@@H]3CCCN(S(=O)(=O)c4ccc(Br)s4)C3)CC2)c1	ZINC000004794144	552485888	/nfs/dbraw/zinc/48/58/88/552485888.db2.gz	CBOHEIOCTSETSB-MRXNPFEDSA-N	0	0	528.494	3.269	50	0		KGAARN
COc1cccc(N2CCN(C(=O)[C@H]3CCCN(S(=O)(=O)c4ccc(Br)s4)C3)CC2)c1	ZINC000004794146	552485901	/nfs/dbraw/zinc/48/59/01/552485901.db2.gz	CBOHEIOCTSETSB-INIZCTEOSA-N	0	0	528.494	3.269	50	0		KGAARN
CC(=O)c1ccc(N2CCN(C(=O)[C@@H]3CCCN(S(=O)(=O)c4ccc(Br)s4)C3)CC2)cc1	ZINC000004794167	552485908	/nfs/dbraw/zinc/48/59/08/552485908.db2.gz	NLGIMXMZFDSHFL-GOSISDBHSA-N	0	0	540.505	3.463	50	0	aggregator	KGAARN
CC(=O)c1ccc(N2CCN(C(=O)[C@H]3CCCN(S(=O)(=O)c4ccc(Br)s4)C3)CC2)cc1	ZINC000004794169	552485890	/nfs/dbraw/zinc/48/58/90/552485890.db2.gz	NLGIMXMZFDSHFL-SFHVURJKSA-N	0	0	540.505	3.463	50	0	aggregator	KGAARN
O=C([C@@H]1CCCN(S(=O)(=O)c2ccc(Br)s2)C1)N1CCN(c2ccc(F)cc2)CC1	ZINC000004794174	552485900	/nfs/dbraw/zinc/48/59/00/552485900.db2.gz	CVRDACRGTAHGGR-OAHLLOKOSA-N	0	0	516.458	3.399	50	0		KGAARN
O=C([C@H]1CCCN(S(=O)(=O)c2ccc(Br)s2)C1)N1CCN(c2ccc(F)cc2)CC1	ZINC000004794176	552485896	/nfs/dbraw/zinc/48/58/96/552485896.db2.gz	CVRDACRGTAHGGR-HNNXBMFYSA-N	0	0	516.458	3.399	50	0		KGAARN
O=C([C@@H]1CCCN(S(=O)(=O)c2ccc(Br)s2)C1)N1CCN(c2ccccc2F)CC1	ZINC000004794179	552485889	/nfs/dbraw/zinc/48/58/89/552485889.db2.gz	XRPYLZBOUGIWON-OAHLLOKOSA-N	0	0	516.458	3.399	50	0		KGAARN
O=C([C@H]1CCCN(S(=O)(=O)c2ccc(Br)s2)C1)N1CCN(c2ccccc2F)CC1	ZINC000004794182	552485904	/nfs/dbraw/zinc/48/59/04/552485904.db2.gz	XRPYLZBOUGIWON-HNNXBMFYSA-N	0	0	516.458	3.399	50	0		KGAARN
Cc1sc2ncn(CC(=O)Nc3ccc(Oc4ccccc4)cc3)c(=O)c2c1S(=O)(=O)N1CCN(C)CC1	ZINC000004799511	552486472	/nfs/dbraw/zinc/48/64/72/552486472.db2.gz	CTAATDUBLSGJIT-UHFFFAOYSA-N	0	0	553.666	3.134	50	0		KGAARN
CC(=O)Oc1cc(OC(C)=O)c2c(c1)oc(-c1ccc(OC(C)=O)c(OC(C)=O)c1)c(OC(C)=O)c2=O	ZINC000005004614	552491627	/nfs/dbraw/zinc/49/16/27/552491627.db2.gz	JQUHMSXLZZWRHU-UHFFFAOYSA-N	0	0	512.423	3.087	50	0	biogenic	KGAARN
CCCCCC[C@H]1C(=O)O[C@H](C)[C@H](NC(=O)c2cccc(NC=O)c2O)C(=O)O[C@@H](C)[C@@H]1OC(=O)CC(C)C	ZINC000005224254	552495228	/nfs/dbraw/zinc/49/52/28/552495228.db2.gz	UIFFUZWRFRDZJC-SBOOETFBSA-N	0	0	548.633	3.480	50	0	in-vitro	KGAARN
CCOC(=O)c1c(NC(=O)COC(=O)[C@@H](CCSC)NC(=O)c2ccccc2)sc2c1CCC2	ZINC000005225247	552495551	/nfs/dbraw/zinc/49/55/51/552495551.db2.gz	JBDXDWUUMDLSFJ-QGZVFWFLSA-N	0	0	504.630	3.447	50	0		KGAARN
CCOC(=O)c1c(NC(=O)COC(=O)[C@H](CCSC)NC(=O)c2ccccc2)sc2c1CCC2	ZINC000005225253	552495557	/nfs/dbraw/zinc/49/55/57/552495557.db2.gz	JBDXDWUUMDLSFJ-KRWDZBQOSA-N	0	0	504.630	3.447	50	0		KGAARN
CC(C)C[C@H](NC(=O)CNC(=O)[C@@H](Cc1ccccc1)N1C(=O)CCC1=O)C(=O)Nc1ccc2ccccc2c1	ZINC000005273832	552496343	/nfs/dbraw/zinc/49/63/43/552496343.db2.gz	SGVJLMFFXDTAFJ-IZZNHLLZSA-N	0	0	542.636	3.186	50	0		KGAARN
CC(C)C[C@@H](NC(=O)CNC(=O)[C@@H](Cc1ccccc1)N1C(=O)CCC1=O)C(=O)Nc1ccc2ccccc2c1	ZINC000005273833	552496325	/nfs/dbraw/zinc/49/63/25/552496325.db2.gz	SGVJLMFFXDTAFJ-CLJLJLNGSA-N	0	0	542.636	3.186	50	0		KGAARN
CC(C)C[C@H](NC(=O)CNC(=O)[C@H](Cc1ccccc1)N1C(=O)CCC1=O)C(=O)Nc1ccc2ccccc2c1	ZINC000005273834	552496307	/nfs/dbraw/zinc/49/63/07/552496307.db2.gz	SGVJLMFFXDTAFJ-UIOOFZCWSA-N	0	0	542.636	3.186	50	0		KGAARN
CC(C)C[C@@H](NC(=O)CNC(=O)[C@H](Cc1ccccc1)N1C(=O)CCC1=O)C(=O)Nc1ccc2ccccc2c1	ZINC000005273835	552496269	/nfs/dbraw/zinc/49/62/69/552496269.db2.gz	SGVJLMFFXDTAFJ-FTJBHMTQSA-N	0	0	542.636	3.186	50	0		KGAARN
CCOC(=O)CN(CC(=O)OCC)c1ccccc1OCCOc1ccccc1N(CC(=O)OCC)CC(=O)OCC	ZINC000005487397	552503017	/nfs/dbraw/zinc/50/30/17/552503017.db2.gz	OLXCPQDFHUCXBA-UHFFFAOYSA-N	0	0	588.654	3.010	50	0		KGAARN
COc1ccc([C@@]23Oc4cc(OC)cc(OC)c4[C@]2(O)[C@H](O)[C@H](C(=O)N(C)C)[C@H]3c2ccccc2)cc1	ZINC000005664046	291790655	/nfs/dbraw/zinc/79/06/55/291790655.db2.gz	DAPAQENNNINUPW-IDAMAFBJSA-N	0	0	505.567	3.051	50	0	biogenic,in-vivo	KGAARN
CCOC(=O)COc1c(I)cc(/C=C2\N=C(C)OC2=O)cc1I	ZINC000005919684	552512308	/nfs/dbraw/zinc/51/23/08/552512308.db2.gz	CTDLGFHEAGNMPE-SDQBBNPISA-N	0	0	541.079	3.154	50	0		KGAARN
Cc1ccc(C)c(S(=O)(=O)Nc2ccc(C(=O)Nc3cc(S(=O)(=O)N4CCOCC4)ccc3N3CCOCC3)cc2)c1	ZINC000005941775	552513981	/nfs/dbraw/zinc/51/39/81/552513981.db2.gz	MHAXBSKQHDIUIP-UHFFFAOYSA-N	0	0	614.746	3.214	50	0		KGAARN
CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)c2ccccc2I)c1	ZINC000005946948	552515559	/nfs/dbraw/zinc/51/55/59/552515559.db2.gz	KEYGLDVMOCQFLF-UHFFFAOYSA-N	0	0	543.427	3.411	50	0		KGAARN
COc1ccc(N2C(=O)/C(=C/c3cccs3)N=C2SCC(=O)N[C@H]2CCS(=O)(=O)C2)cc1Cl	ZINC000005987459	552517816	/nfs/dbraw/zinc/51/78/16/552517816.db2.gz	XBSJKUSFHWVBIW-NWRYFCBHSA-N	0	0	526.061	3.190	50	0		KGAARN
CCN(C(=O)CSC1=N/C(=C/c2ccco2)C(=O)N1c1ccc(OC)c(Cl)c1)[C@H]1CCS(=O)(=O)C1	ZINC000005987635	552517819	/nfs/dbraw/zinc/51/78/19/552517819.db2.gz	QLROSTCHJKQOIE-QUYZQLMHSA-N	0	0	538.047	3.454	50	0		KGAARN
CCN(C(=O)CSC1=N/C(=C/c2ccco2)C(=O)N1c1ccc(OC(F)F)cc1)[C@H]1CCS(=O)(=O)C1	ZINC000005987723	552517857	/nfs/dbraw/zinc/51/78/57/552517857.db2.gz	KZVULCJEXFSJJZ-QUYZQLMHSA-N	0	0	539.582	3.394	50	0		KGAARN
CN(C(=O)CSC1=N/C(=C/c2ccco2)C(=O)N1c1ccc(OC(F)F)cc1)[C@H]1CCS(=O)(=O)C1	ZINC000005989434	552517841	/nfs/dbraw/zinc/51/78/41/552517841.db2.gz	ZABWMFZBYIYWHO-LZNAANCOSA-N	0	0	525.555	3.003	50	0		KGAARN
Cc1c(N(C)S(=O)(=O)c2cccc(C(=O)Nc3nc4ccccc4[nH]3)c2)c(=O)n(-c2ccccc2)n1C	ZINC000006016802	552519545	/nfs/dbraw/zinc/51/95/45/552519545.db2.gz	DMXXXTRTNDZOLK-UHFFFAOYSA-N	0	0	516.583	3.438	50	0		KGAARN
O=C(NCCc1ccccc1)c1cc(-c2ccncc2)nc2ccc(S(=O)(=O)N3CCOCC3)cc21	ZINC000006023523	552520151	/nfs/dbraw/zinc/52/01/51/552520151.db2.gz	KKUMBYXMVPELEZ-UHFFFAOYSA-N	0	0	502.596	3.290	50	0		KGAARN
CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)N[C@@H](Cc2ccccc2)c2nc3ccccc3[nH]2)cc1	ZINC000006079804	552529862	/nfs/dbraw/zinc/52/98/62/552529862.db2.gz	IPFRGNURUNZSGL-DEOSSOPVSA-N	0	0	505.600	3.242	50	0		KGAARN
COC(=O)c1cc(NS(=O)(=O)c2ccc(Cl)c(N3C(=O)[C@@H]4CCCC[C@H]4C3=O)c2)cc(C(=O)OC)c1	ZINC000006088707	552530390	/nfs/dbraw/zinc/53/03/90/552530390.db2.gz	TYALYZQPGHFOHG-QZTJIDSGSA-N	0	0	534.974	3.394	50	0		KGAARN
C[C@H](OC(=O)c1cc(NS(=O)(=O)c2ccc(F)cc2)cc(NS(=O)(=O)c2ccc(F)cc2)c1)C(=O)NC1CC1	ZINC000006093260	552533828	/nfs/dbraw/zinc/53/38/28/552533828.db2.gz	VYTHUCYRWYFHQH-HNNXBMFYSA-N	0	0	579.603	3.390	50	0		KGAARN
C[C@@H](OC(=O)c1cc(NS(=O)(=O)c2ccc(F)cc2)cc(NS(=O)(=O)c2ccc(F)cc2)c1)C(=O)NC1CC1	ZINC000006093263	552533905	/nfs/dbraw/zinc/53/39/05/552533905.db2.gz	VYTHUCYRWYFHQH-OAHLLOKOSA-N	0	0	579.603	3.390	50	0		KGAARN
CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(SCC(=O)N1CC(=O)Nc3ccccc31)n2CC	ZINC000006095205	552534256	/nfs/dbraw/zinc/53/42/56/552534256.db2.gz	CNGJJVPMBCTECX-UHFFFAOYSA-N	0	0	501.634	3.164	50	0		KGAARN
CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(SCC(=O)N1CCOCC1)n2-c1ccccc1OC	ZINC000006130150	552534843	/nfs/dbraw/zinc/53/48/43/552534843.db2.gz	JFQBVEMGOMIRRM-UHFFFAOYSA-N	0	0	518.661	3.016	50	0		KGAARN
Cc1c(NC(=O)[C@@H](C)OC(=O)c2ccc(S(=O)(=O)Nc3ccccc3)cc2)c(=O)n(-c2ccccc2)n1C	ZINC000006131909	552535174	/nfs/dbraw/zinc/53/51/74/552535174.db2.gz	UBEUBDCROOGPBV-LJQANCHMSA-N	0	0	534.594	3.469	50	0		KGAARN
Cc1c(NC(=O)[C@H](C)OC(=O)c2ccc(S(=O)(=O)Nc3ccccc3)cc2)c(=O)n(-c2ccccc2)n1C	ZINC000006131911	552535184	/nfs/dbraw/zinc/53/51/84/552535184.db2.gz	UBEUBDCROOGPBV-IBGZPJMESA-N	0	0	534.594	3.469	50	0		KGAARN
C[C@@H]1Cc2ccccc2N1C(=O)COC(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1	ZINC000006132338	552535267	/nfs/dbraw/zinc/53/52/67/552535267.db2.gz	DUZSJHNBESPJMM-QGZVFWFLSA-N	0	0	508.552	3.393	50	0		KGAARN
C[C@H]1Cc2ccccc2N1C(=O)COC(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1	ZINC000006132340	552535244	/nfs/dbraw/zinc/53/52/44/552535244.db2.gz	DUZSJHNBESPJMM-KRWDZBQOSA-N	0	0	508.552	3.393	50	0		KGAARN
CC(C)C[C@@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(C)C)C(N)=O	ZINC000006134931	552538779	/nfs/dbraw/zinc/53/87/79/552538779.db2.gz	MECLJQPGDLYLSY-YTFSRNRJSA-N	0	0	529.682	3.151	50	0		KGAARN
CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(N)=O	ZINC000006134956	552538704	/nfs/dbraw/zinc/53/87/04/552538704.db2.gz	MECLJQPGDLYLSY-RJGXRXQPSA-N	0	0	529.682	3.151	50	0		KGAARN
CC(C)C[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O	ZINC000006135072	552539028	/nfs/dbraw/zinc/53/90/28/552539028.db2.gz	GDYPYMRZUSWASH-KKUQBAQOSA-N	0	0	563.699	3.347	50	0		KGAARN
CC(C)C[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@H](Cc1ccccc1)C(N)=O	ZINC000006135087	552538996	/nfs/dbraw/zinc/53/89/96/552538996.db2.gz	GDYPYMRZUSWASH-UODIDJSMSA-N	0	0	563.699	3.347	50	0		KGAARN
CC(C)C[C@@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(N)=O	ZINC000006135128	552539021	/nfs/dbraw/zinc/53/90/21/552539021.db2.gz	MECLJQPGDLYLSY-DNVJHFABSA-N	0	0	529.682	3.151	50	0		KGAARN
CCN1C(=O)C(=c2sc(=C3Sc4ccccc4N3CC)c(=O)n2CC)N(c2ccccc2)C1=S	ZINC000006135699	552539831	/nfs/dbraw/zinc/53/98/31/552539831.db2.gz	LMKHLYICKBQSIT-UHFFFAOYSA-N	0	0	508.694	3.389	50	0		KGAARN
COC(=O)c1ccccc1NC(=O)CSc1nnc(Cn2nnc(-c3ccccc3)n2)n1-c1ccccc1	ZINC000006136121	552540916	/nfs/dbraw/zinc/54/09/16/552540916.db2.gz	ITBZBNDPEARDFD-UHFFFAOYSA-N	0	0	526.582	3.487	50	0		KGAARN
Cc1c(NS(=O)(=O)c2cc(C(=O)NCc3cccnc3)ccc2Cl)c(=O)n(-c2ccccc2)n1C	ZINC000006141956	552542926	/nfs/dbraw/zinc/54/29/26/552542926.db2.gz	WEAVHRJOCLWTPR-UHFFFAOYSA-N	0	0	511.991	3.264	50	0		KGAARN
O=C(c1cccc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)c1)N1CCn2c3ccccc3nc21	ZINC000006144071	552545435	/nfs/dbraw/zinc/54/54/35/552545435.db2.gz	RNIHCPXCBDJLHW-UHFFFAOYSA-N	0	0	505.575	3.347	50	0		KGAARN
C[C@H](OC(=O)c1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1)C(=O)NCc1ccc2c(c1)OCO2	ZINC000006144287	552546150	/nfs/dbraw/zinc/54/61/50/552546150.db2.gz	XCPUBMSKWMCXMN-AWEZNQCLSA-N	0	0	518.494	3.356	50	0		KGAARN
C[C@@H](OC(=O)c1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1)C(=O)NCc1ccc2c(c1)OCO2	ZINC000006144288	552546117	/nfs/dbraw/zinc/54/61/17/552546117.db2.gz	XCPUBMSKWMCXMN-CQSZACIVSA-N	0	0	518.494	3.356	50	0		KGAARN
Cc1c(NS(=O)(=O)c2cccc(C(=O)O[C@@H](C)C(=O)Nc3ccc4c(c3)OCO4)c2)c(=O)n(-c2ccccc2)n1C	ZINC000006144331	552546171	/nfs/dbraw/zinc/54/61/71/552546171.db2.gz	DHOZVEFQLNOEBP-SFHVURJKSA-N	0	0	578.603	3.198	50	0		KGAARN
Cc1c(NS(=O)(=O)c2cccc(C(=O)O[C@H](C)C(=O)Nc3ccc4c(c3)OCO4)c2)c(=O)n(-c2ccccc2)n1C	ZINC000006144333	552546039	/nfs/dbraw/zinc/54/60/39/552546039.db2.gz	DHOZVEFQLNOEBP-GOSISDBHSA-N	0	0	578.603	3.198	50	0		KGAARN
O=C(Oc1c(I)cc(I)c2cccnc21)N1CCOCC1	ZINC000006144410	552546447	/nfs/dbraw/zinc/54/64/47/552546447.db2.gz	QJWRWOGQMDWULG-UHFFFAOYSA-N	0	0	510.069	3.275	50	0		KGAARN
C[C@H](OC(=O)c1ccc(NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1)C(=O)Nc1ccc(F)c(F)c1F	ZINC000006144718	552546981	/nfs/dbraw/zinc/54/69/81/552546981.db2.gz	GVVANLQSMXSSIP-NSHDSACASA-N	0	0	534.472	3.258	50	0		KGAARN
C[C@@H](OC(=O)c1ccc(NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1)C(=O)Nc1ccc(F)c(F)c1F	ZINC000006144719	552546954	/nfs/dbraw/zinc/54/69/54/552546954.db2.gz	GVVANLQSMXSSIP-LLVKDONJSA-N	0	0	534.472	3.258	50	0		KGAARN
Cc1c(NS(=O)(=O)c2cccc(C(=O)O[C@@H](C)C(=O)N3CCc4ccccc43)c2)c(=O)n(-c2ccccc2)n1C	ZINC000006144755	552547312	/nfs/dbraw/zinc/54/73/12/552547312.db2.gz	KFIDYIGGRRXTPM-FQEVSTJZSA-N	0	0	560.632	3.420	50	0		KGAARN
Cc1c(NS(=O)(=O)c2cccc(C(=O)O[C@H](C)C(=O)N3CCc4ccccc43)c2)c(=O)n(-c2ccccc2)n1C	ZINC000006144757	552547256	/nfs/dbraw/zinc/54/72/56/552547256.db2.gz	KFIDYIGGRRXTPM-HXUWFJFHSA-N	0	0	560.632	3.420	50	0		KGAARN
O=C(COC(=O)c1cccc(NS(=O)(=O)/C=C/c2ccccc2)c1)NC(=O)Nc1ccc2c(c1)OCCO2	ZINC000006144790	552547264	/nfs/dbraw/zinc/54/72/64/552547264.db2.gz	IKZMAGXSWOUNAB-SDNWHVSQSA-N	0	0	537.550	3.376	50	0		KGAARN
Cc1c(NC(=O)c2cccc(NS(=O)(=O)c3ccc4c(c3)OCCO4)c2)c(=O)n(-c2ccccc2)n1C	ZINC000006146523	552548264	/nfs/dbraw/zinc/54/82/64/552548264.db2.gz	MTAHDXFFHVRWKW-UHFFFAOYSA-N	0	0	520.567	3.309	50	0		KGAARN
CCn1c2ccc(S(=O)(=O)N3CCOCC3)cc2nc1SCC(=O)Nc1ccccc1OC(F)F	ZINC000006147761	552549247	/nfs/dbraw/zinc/54/92/47/552549247.db2.gz	YNECDRTUIWFVCH-UHFFFAOYSA-N	0	0	526.587	3.409	50	0		KGAARN
CCOc1ccccc1NC(=O)CSc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1CC	ZINC000006147973	552549215	/nfs/dbraw/zinc/54/92/15/552549215.db2.gz	GKGIYJJKFSFDER-UHFFFAOYSA-N	0	0	504.634	3.207	50	0		KGAARN
COc1cc([C@@H]2NC(=S)N[C@@](O)(C(F)(F)F)C2=C(O)c2ccccc2)cc(Br)c1O	ZINC000006148094	552549428	/nfs/dbraw/zinc/54/94/28/552549428.db2.gz	DSIFNOXVZSIWPY-DEYYWGMASA-N	0	0	505.312	3.432	50	0		KGAARN
COc1ccc(CCNC(=O)COC(=O)c2cc(OC)c(OC)c(OC)c2Br)cc1OC	ZINC000006162684	552555438	/nfs/dbraw/zinc/55/54/38/552555438.db2.gz	HPKPGISAJSCZJO-UHFFFAOYSA-N	0	0	512.353	3.008	50	0		KGAARN
Cc1ccc(NC(=O)COC(=O)c2ccc3c(c2)C(=O)N([C@@H](C)C(=O)OCC(=O)Nc2ccc(C)cc2)C3=O)cc1	ZINC000006166142	552556378	/nfs/dbraw/zinc/55/63/78/552556378.db2.gz	FMXYQIJJYGGWPU-IBGZPJMESA-N	0	0	557.559	3.265	50	0		KGAARN
Cc1ccc(NC(=O)COC(=O)c2ccc3c(c2)C(=O)N([C@H](C)C(=O)OCC(=O)Nc2ccc(C)cc2)C3=O)cc1	ZINC000006166143	552556411	/nfs/dbraw/zinc/55/64/11/552556411.db2.gz	FMXYQIJJYGGWPU-LJQANCHMSA-N	0	0	557.559	3.265	50	0		KGAARN
CCOc1ccc(NC(=O)COC(=O)c2ccc3c(c2)C(=O)N([C@@H](C)C(=O)OCC(=O)Nc2ccc(OCC)cc2)C3=O)cc1	ZINC000006166172	552556674	/nfs/dbraw/zinc/55/66/74/552556674.db2.gz	JCEZCCSUECDKAT-IBGZPJMESA-N	0	0	617.611	3.446	50	0		KGAARN
CCOc1ccc(NC(=O)COC(=O)c2ccc3c(c2)C(=O)N([C@H](C)C(=O)OCC(=O)Nc2ccc(OCC)cc2)C3=O)cc1	ZINC000006166174	552556626	/nfs/dbraw/zinc/55/66/26/552556626.db2.gz	JCEZCCSUECDKAT-LJQANCHMSA-N	0	0	617.611	3.446	50	0		KGAARN
Cc1ccccc1NC(=O)COC(=O)c1ccc2c(c1)C(=O)N([C@@H](C)C(=O)OCC(=O)Nc1ccccc1C)C2=O	ZINC000006166178	552556622	/nfs/dbraw/zinc/55/66/22/552556622.db2.gz	IMMZKYGIQIPHFU-IBGZPJMESA-N	0	0	557.559	3.265	50	0		KGAARN
Cc1ccccc1NC(=O)COC(=O)c1ccc2c(c1)C(=O)N([C@H](C)C(=O)OCC(=O)Nc1ccccc1C)C2=O	ZINC000006166180	552556657	/nfs/dbraw/zinc/55/66/57/552556657.db2.gz	IMMZKYGIQIPHFU-LJQANCHMSA-N	0	0	557.559	3.265	50	0		KGAARN
CCN(CC)S(=O)(=O)c1ccc(/C=C\C(=O)O[C@@H](C)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1	ZINC000006173292	1059009714	/nfs/dbraw/zinc/00/97/14/1059009714.db2.gz	VSLCFLRKTWCILJ-PUWPPSGDSA-N	0	0	540.642	3.099	50	0		KGAARN
CCN(CC)S(=O)(=O)c1ccc(/C=C\C(=O)O[C@H](C)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1	ZINC000006173293	1059009675	/nfs/dbraw/zinc/00/96/75/1059009675.db2.gz	VSLCFLRKTWCILJ-XLEPWJDSSA-N	0	0	540.642	3.099	50	0		KGAARN
O=S(=O)(NCc1ccccn1)c1ccc(Cc2ccc(S(=O)(=O)NCc3ccccn3)cc2)cc1	ZINC000006180934	552561000	/nfs/dbraw/zinc/56/10/00/552561000.db2.gz	SQIPGSZISAYOME-UHFFFAOYSA-N	0	0	508.625	3.024	50	0		KGAARN
COc1ccc(CCNC(=O)c2cnc3ccc(S(=O)(=O)N(C)Cc4ccccc4)cc3c2O)cc1OC	ZINC000006180943	552561020	/nfs/dbraw/zinc/56/10/20/552561020.db2.gz	LWWBUGYBLSIJHT-UHFFFAOYSA-N	0	0	535.622	3.339	50	0		KGAARN
COc1ccc(CCNC(=O)c2cnc3ccc(S(=O)(=O)N4CCCCCC4)cc3c2O)cc1OC	ZINC000006180944	552560968	/nfs/dbraw/zinc/56/09/68/552560968.db2.gz	XWNAQQHUTKFJPX-UHFFFAOYSA-N	0	0	513.616	3.083	50	0		KGAARN
COc1ccc(CNC(=O)c2cnc3ccc(S(=O)(=O)N4CCc5ccccc5C4)cc3c2O)cc1	ZINC000006180947	552561030	/nfs/dbraw/zinc/56/10/30/552561030.db2.gz	IMMZDPAGIFWMTF-UHFFFAOYSA-N	0	0	503.580	3.214	50	0		KGAARN
CCOC(=O)C1CCN(C(=O)c2cnc3ccc(S(=O)(=O)N(CC)c4cccc(C)c4)cc3c2O)CC1	ZINC000006181045	552561212	/nfs/dbraw/zinc/56/12/12/552561212.db2.gz	SOFZFMBTUROEOW-UHFFFAOYSA-N	0	0	525.627	3.467	50	0		KGAARN
CN(c1ccc(Br)cc1)S(=O)(=O)c1ccc2ncc(C(=O)N3CCC4(CC3)OCCO4)c(O)c2c1	ZINC000006181253	552561776	/nfs/dbraw/zinc/56/17/76/552561776.db2.gz	YKFZNFZNVXCGIH-UHFFFAOYSA-N	0	0	562.442	3.095	50	0		KGAARN
CCOC(CNC(=O)c1cnc2ccc(S(=O)(=O)N(C)c3ccc(Br)cc3)cc2c1O)OCC	ZINC000006181265	552561633	/nfs/dbraw/zinc/56/16/33/552561633.db2.gz	OQIIBQOZVNUMHP-UHFFFAOYSA-N	0	0	552.447	3.245	50	0		KGAARN
CCOC(CNC(=O)c1cnc2ccc(S(=O)(=O)N(C)c3ccc(CC)cc3)cc2c1O)OCC	ZINC000006181268	552561725	/nfs/dbraw/zinc/56/17/25/552561725.db2.gz	CPPSPQIWQNEDFU-UHFFFAOYSA-N	0	0	501.605	3.045	50	0		KGAARN
CCOC(CNC(=O)c1cnc2ccc(S(=O)(=O)N(C)c3ccccc3CC)cc2c1O)OCC	ZINC000006181308	552561608	/nfs/dbraw/zinc/56/16/08/552561608.db2.gz	VOLGCVXJCWHEHZ-UHFFFAOYSA-N	0	0	501.605	3.045	50	0		KGAARN
CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2ncc(C(=O)N3CCN(c4ccccc4)CC3)c(O)c2c1	ZINC000006181316	552561715	/nfs/dbraw/zinc/56/17/15/552561715.db2.gz	HSYPXUNKAOGURW-UHFFFAOYSA-N	0	0	520.586	3.455	50	0		KGAARN
CCOC(CNC(=O)c1cnc2ccc(S(=O)(=O)N(C)c3cc(C)ccc3C)cc2c1O)OCC	ZINC000006181319	552561663	/nfs/dbraw/zinc/56/16/63/552561663.db2.gz	XUGVWWSHTDHFQD-UHFFFAOYSA-N	0	0	501.605	3.099	50	0		KGAARN
CCOC(CNC(=O)c1cnc2ccc(S(=O)(=O)N(CC)c3ccc(F)cc3)cc2c1O)OCC	ZINC000006181358	552561639	/nfs/dbraw/zinc/56/16/39/552561639.db2.gz	NBHSUJJAIZRCGE-UHFFFAOYSA-N	0	0	505.568	3.011	50	0		KGAARN
CC(C)c1ccc(NS(=O)(=O)c2ccc3ncc(C(=O)N4CCC5(CC4)OCCO5)c(O)c3c2)cc1	ZINC000006181477	552562146	/nfs/dbraw/zinc/56/21/46/552562146.db2.gz	GJBLJITWHBSBMA-UHFFFAOYSA-N	0	0	511.600	3.431	50	0		KGAARN
CCOc1ccc(NS(=O)(=O)c2ccc3ncc(C(=O)NCc4ccc5c(c4)OCO5)c(O)c3c2)cc1	ZINC000006181522	552562560	/nfs/dbraw/zinc/56/25/60/552562560.db2.gz	XJSWKFDFKMFLBL-UHFFFAOYSA-N	0	0	521.551	3.386	50	0		KGAARN
O=C(Nc1c2c(nn1-c1cccc(Cl)c1)C[S@@](=O)C2)c1ccc(S(=O)(=O)N2CCCC2)cc1	ZINC000006184144	552562904	/nfs/dbraw/zinc/56/29/04/552562904.db2.gz	IFVSZNYVUFTATR-JGCGQSQUSA-N	0	0	505.021	3.325	50	0		KGAARN
O=C(Nc1c2c(nn1-c1cccc(Cl)c1)C[S@](=O)C2)c1ccc(S(=O)(=O)N2CCCC2)cc1	ZINC000006184145	552562967	/nfs/dbraw/zinc/56/29/67/552562967.db2.gz	IFVSZNYVUFTATR-YTTGMZPUSA-N	0	0	505.021	3.325	50	0		KGAARN
O=C(Nc1c2c(nn1-c1ccc(F)cc1)C[S@@](=O)C2)c1ccc(S(=O)(=O)N2CCCCC2)cc1	ZINC000006184156	552562913	/nfs/dbraw/zinc/56/29/13/552562913.db2.gz	MNTDXQYNEGGXOJ-MGBGTMOVSA-N	0	0	502.593	3.201	50	0		KGAARN
O=C(Nc1c2c(nn1-c1ccc(F)cc1)C[S@](=O)C2)c1ccc(S(=O)(=O)N2CCCCC2)cc1	ZINC000006184157	552562918	/nfs/dbraw/zinc/56/29/18/552562918.db2.gz	MNTDXQYNEGGXOJ-XIFFEERXSA-N	0	0	502.593	3.201	50	0		KGAARN
COc1ccc(-n2nc3c(c2NC(=O)c2ccc(S(=O)(=O)N4CCCCC4)cc2)C[S@](=O)C3)cc1	ZINC000006184158	552562957	/nfs/dbraw/zinc/56/29/57/552562957.db2.gz	OAWNHBZNXFELTI-UUWRZZSWSA-N	0	0	514.629	3.070	50	0		KGAARN
COc1ccc(-n2nc3c(c2NC(=O)c2ccc(S(=O)(=O)N4CCCCC4)cc2)C[S@@](=O)C3)cc1	ZINC000006184160	552562980	/nfs/dbraw/zinc/56/29/80/552562980.db2.gz	OAWNHBZNXFELTI-UMSFTDKQSA-N	0	0	514.629	3.070	50	0		KGAARN
CC(C)C[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(N)=O	ZINC000006190432	552563250	/nfs/dbraw/zinc/56/32/50/552563250.db2.gz	MECLJQPGDLYLSY-XPWALMASSA-N	0	0	529.682	3.151	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)cc(OC)c3O)c(=O)n2[C@@H]1c1ccccc1	ZINC000006225921	193872350	/nfs/dbraw/zinc/87/23/50/193872350.db2.gz	SHNNYWNRBOJZDQ-BUDOKORBSA-N	0	0	529.412	3.275	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)cc(OC)c3O)c(=O)n2[C@@H]1c1ccccc1OC	ZINC000006225935	552570743	/nfs/dbraw/zinc/57/07/43/552570743.db2.gz	IGKWRYIFXJVCPW-ZNQKWNQWSA-N	0	0	559.438	3.284	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)cc(OC)c3O)c(=O)n2[C@H]1c1ccccc1	ZINC000006225994	193872291	/nfs/dbraw/zinc/87/22/91/193872291.db2.gz	SHNNYWNRBOJZDQ-OBXYEHHASA-N	0	0	529.412	3.275	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)cc(OC)c3O)c(=O)n2[C@H]1c1ccccc1OC	ZINC000006226006	552570764	/nfs/dbraw/zinc/57/07/64/552570764.db2.gz	IGKWRYIFXJVCPW-MRCZTLKWSA-N	0	0	559.438	3.284	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)ccc3O)c(=O)n2[C@@H]1c1cc(OC)ccc1OC	ZINC000006226146	552570604	/nfs/dbraw/zinc/57/06/04/552570604.db2.gz	ONQIMTYPLFFMQX-JGZDWKDESA-N	0	0	559.438	3.284	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)ccc3O)c(=O)n2[C@H]1c1cc(OC)ccc1OC	ZINC000006226175	552570869	/nfs/dbraw/zinc/57/08/69/552570869.db2.gz	ONQIMTYPLFFMQX-WYWXSHKMSA-N	0	0	559.438	3.284	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)ccc3O)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1	ZINC000006226196	552570882	/nfs/dbraw/zinc/57/08/82/552570882.db2.gz	YUDZXVUFZMRTQX-FNUHDPNESA-N	0	0	514.987	3.175	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)ccc3O)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1	ZINC000006226272	552570891	/nfs/dbraw/zinc/57/08/91/552570891.db2.gz	YUDZXVUFZMRTQX-PZDOZLBDSA-N	0	0	514.987	3.175	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc4c(cc3Br)OCO4)c(=O)n2[C@@H]1c1cccs1	ZINC000006226631	193872385	/nfs/dbraw/zinc/87/23/85/193872385.db2.gz	VRAPUMAIOYYQEL-QGCWPSNUSA-N	0	0	533.425	3.351	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc4c(cc3Br)OCO4)c(=O)n2[C@H]1c1cccs1	ZINC000006226673	552570865	/nfs/dbraw/zinc/57/08/65/552570865.db2.gz	VRAPUMAIOYYQEL-QTQQGTETSA-N	0	0	533.425	3.351	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(C)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1	ZINC000006227097	552570896	/nfs/dbraw/zinc/57/08/96/552570896.db2.gz	NQBLLLXTWXZQGZ-LYRGBEMXSA-N	0	0	508.596	3.133	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(C)c(OC)c3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1	ZINC000006227134	193872596	/nfs/dbraw/zinc/87/25/96/193872596.db2.gz	NQBLLLXTWXZQGZ-JGTYQCAFSA-N	0	0	508.596	3.133	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3OC(F)F)c(=O)n2[C@@H]1c1ccc(OC)cc1	ZINC000006227830	193873303	/nfs/dbraw/zinc/87/33/03/193873303.db2.gz	HJHVOPCXFWTPTG-UBXANZILSA-N	0	0	500.523	3.408	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3OC(F)F)c(=O)n2[C@H]1c1ccc(OC)cc1	ZINC000006227832	552571555	/nfs/dbraw/zinc/57/15/55/552571555.db2.gz	HJHVOPCXFWTPTG-YMFQVDJJSA-N	0	0	500.523	3.408	50	0		KGAARN
O=C(NC[C@@H]1CCCO1)c1ccc(N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c(NS(=O)(=O)c2ccc(F)cc2)c1	ZINC000006235141	552571876	/nfs/dbraw/zinc/57/18/76/552571876.db2.gz	IOCZJQKKKXHATK-NWSQWKLXSA-N	0	0	566.655	3.321	50	0		KGAARN
O=C(NC1CC1)c1ccc(N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c(NS(=O)(=O)c2ccc(F)cc2)c1	ZINC000006235146	552571839	/nfs/dbraw/zinc/57/18/39/552571839.db2.gz	PISGCASDCLCGGV-MJGOQNOKSA-N	0	0	522.602	3.304	50	0		KGAARN
CCCNC(=O)c1ccc(N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c(NS(=O)(=O)c2ccc3c(c2)OCCO3)c1	ZINC000006235147	193873709	/nfs/dbraw/zinc/87/37/09/193873709.db2.gz	OGNGCKFPYKVBSC-CTNGQTDRSA-N	0	0	564.664	3.184	50	0		KGAARN
COC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)ccc3OC(C)=O)c(=O)n2[C@H]1c1ccc(OC)cc1	ZINC000006237772	193873975	/nfs/dbraw/zinc/87/39/75/193873975.db2.gz	KBLXIQCKFDJEIA-PZDOZLBDSA-N	0	0	557.422	3.105	50	0		KGAARN
COC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)ccc3OC(C)=O)c(=O)n2[C@H]1c1cccs1	ZINC000006237775	552572286	/nfs/dbraw/zinc/57/22/86/552572286.db2.gz	PDQQJYIAXYVVNB-DMVFFGLYSA-N	0	0	533.425	3.158	50	0		KGAARN
O=C(NCCc1ccccc1)c1cc(-c2ccccn2)nc2ccc(S(=O)(=O)N3CCOCC3)cc21	ZINC000006238483	193874409	/nfs/dbraw/zinc/87/44/09/193874409.db2.gz	SLZPZFUXSQDVJH-UHFFFAOYSA-N	0	0	502.596	3.290	50	0		KGAARN
CCOC(=O)c1ccc(N2C(=O)c3ccccc3C(=CNc3ccc(S(=O)(=O)NC)cc3)C2=O)cc1	ZINC000006242615	1059664665	/nfs/dbraw/zinc/66/46/65/1059664665.db2.gz	HYSPIFKQVHLVTL-XQNSMLJCSA-N	0	0	505.552	3.411	50	0		KGAARN
COc1ccc(Nc2sc(C(=O)Nc3ccc(Br)cc3)c(N)c2C(=O)NCCN2CCOCC2)cc1	ZINC000006296400	552578865	/nfs/dbraw/zinc/57/88/65/552578865.db2.gz	FBAZJGOBRICQFI-QFIPXVFZSA-N	0	0	574.501	3.303	50	0		KGAARN
CCN(c1cccc(C)c1)S(=O)(=O)c1ccc2ncc(C(=O)N3CCN(c4ccccn4)CC3)c(O)c2c1	ZINC000006296518	552579137	/nfs/dbraw/zinc/57/91/37/552579137.db2.gz	KCQVVBZMSKEHTM-UHFFFAOYSA-N	0	0	531.638	3.409	50	0		KGAARN
Cc1nnc2nc(SCC(=O)NCCc3ccc(S(N)(=O)=O)cc3)n(-c3ccc(Oc4ccccc4)cc3)c(N)c1-2	ZINC000006296612	552579055	/nfs/dbraw/zinc/57/90/55/552579055.db2.gz	JPOBPIBVTAZJBL-UHFFFAOYSA-N	0	0	589.703	3.427	50	0		KGAARN
CCOC(=O)C1CCN(C(=O)c2cnc3ccc(S(=O)(=O)N(C)c4ccccc4OCC)cc3c2O)CC1	ZINC000006296730	552579008	/nfs/dbraw/zinc/57/90/08/552579008.db2.gz	CRGZDRZUNWAFOP-UHFFFAOYSA-N	0	0	541.626	3.167	50	0		KGAARN
CN(c1ccc(Br)cc1)S(=O)(=O)c1ccc2ncc(C(=O)NCc3cccnc3)c(O)c2c1	ZINC000006296735	552579166	/nfs/dbraw/zinc/57/91/66/552579166.db2.gz	JDKKDZDVMQMNSI-UHFFFAOYSA-N	0	0	527.400	3.441	50	0		KGAARN
COc1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc1OC	ZINC000006297551	552579744	/nfs/dbraw/zinc/57/97/44/552579744.db2.gz	IRDJABHWJDPLTF-GIWBLDEGSA-N	0	0	516.598	3.244	50	0	biogenic	KGAARN
C[C@@H](c1ccccc1)n1c(SCC(=O)N2CCCC2)nnc1-c1cccc(S(=O)(=O)N2CCOCC2)c1	ZINC000006298867	552579981	/nfs/dbraw/zinc/57/99/81/552579981.db2.gz	IOYPBIBUBNZAHU-FQEVSTJZSA-N	0	0	541.699	3.290	50	0		KGAARN
Cc1c(NC(=O)[C@@H](C)OC(=O)c2ccc(NS(=O)(=O)c3ccc4c(c3)OCCO4)cc2)c(=O)n(-c2ccccc2)n1C	ZINC000006343436	552581471	/nfs/dbraw/zinc/58/14/71/552581471.db2.gz	JXVMYRNYXZPCPB-LJQANCHMSA-N	0	0	592.630	3.240	50	0		KGAARN
Cc1c(NC(=O)[C@H](C)OC(=O)c2ccc(NS(=O)(=O)c3ccc4c(c3)OCCO4)cc2)c(=O)n(-c2ccccc2)n1C	ZINC000006343437	552581465	/nfs/dbraw/zinc/58/14/65/552581465.db2.gz	JXVMYRNYXZPCPB-IBGZPJMESA-N	0	0	592.630	3.240	50	0		KGAARN
CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cccnc3)c(=O)n2[C@@H]1c1cc(OC)ccc1OC	ZINC000006353886	1059135516	/nfs/dbraw/zinc/13/55/16/1059135516.db2.gz	KHXBPEYDHMAIPQ-IBYCJETLSA-N	0	0	527.602	3.348	50	0		KGAARN
CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cccnc3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2	ZINC000006353894	552581827	/nfs/dbraw/zinc/58/18/27/552581827.db2.gz	HMEVQGOVSJJWNC-AOLPSBPOSA-N	0	0	511.559	3.059	50	0		KGAARN
CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cccnc3)c(=O)n2[C@@H]1c1cccc(OC)c1OC	ZINC000006353897	1059135594	/nfs/dbraw/zinc/13/55/94/1059135594.db2.gz	GCPWNWJLPWAQNX-GJISQHIDSA-N	0	0	527.602	3.348	50	0		KGAARN
CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cccnc3)c(=O)n2[C@H]1c1cc(OC)ccc1OC	ZINC000006353901	1059135572	/nfs/dbraw/zinc/13/55/72/1059135572.db2.gz	KHXBPEYDHMAIPQ-OFCKJYIJSA-N	0	0	527.602	3.348	50	0		KGAARN
CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cccnc3)c(=O)n2[C@H]1c1cccc(OC)c1OC	ZINC000006353911	1059135470	/nfs/dbraw/zinc/13/54/70/1059135470.db2.gz	GCPWNWJLPWAQNX-YVVITCHPSA-N	0	0	527.602	3.348	50	0		KGAARN
CC[C@@H](Sc1nc2ccccc2c(=O)n1NC(=O)c1ccc(OC)cc1)C(=O)NCc1cccnc1	ZINC000006390277	552582298	/nfs/dbraw/zinc/58/22/98/552582298.db2.gz	RPPFGXMEQDQUPL-JOCHJYFZSA-N	0	0	503.584	3.371	50	0		KGAARN
O=c1/c(=C/c2cc(I)cc(I)c2O)sc2nc3ccccc3n12	ZINC000006446973	552589736	/nfs/dbraw/zinc/58/97/36/552589736.db2.gz	IYBZVNSCXKSZGG-MLPAPPSSSA-N	0	0	546.127	3.372	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C/c3c[nH]c4ccccc34)c(=O)n2[C@@H]1c1ccc(OC)cc1OC	ZINC000006487519	552594388	/nfs/dbraw/zinc/59/43/88/552594388.db2.gz	VAFSANMHPPZMGH-SEXPAEGTSA-N	0	0	503.580	3.297	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)ccc3O)c(=O)n2[C@@H]1c1ccc(OC)cc1	ZINC000006487773	552594314	/nfs/dbraw/zinc/59/43/14/552594314.db2.gz	DLTDFZCFDFAYHI-PRWBYUBPSA-N	0	0	529.412	3.275	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)ccc3O)c(=O)n2[C@H]1c1ccc(OC)cc1	ZINC000006487800	552594342	/nfs/dbraw/zinc/59/43/42/552594342.db2.gz	DLTDFZCFDFAYHI-SRKIZSPNSA-N	0	0	529.412	3.275	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc4c(cc3Cl)OCO4)c(=O)n2[C@@H]1c1cccc(OC)c1	ZINC000006488024	552594570	/nfs/dbraw/zinc/59/45/70/552594570.db2.gz	FFNWPQVVWZAPLY-BJJGPXNVSA-N	0	0	512.971	3.189	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc4c(cc3Cl)OCO4)c(=O)n2[C@H]1c1cccc(OC)c1	ZINC000006488036	552594540	/nfs/dbraw/zinc/59/45/40/552594540.db2.gz	FFNWPQVVWZAPLY-IOKRJLGCSA-N	0	0	512.971	3.189	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC)c(Br)c3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2	ZINC000006488155	552594571	/nfs/dbraw/zinc/59/45/71/552594571.db2.gz	UCJKPUXLTNCTCC-BJJGPXNVSA-N	0	0	557.422	3.298	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC)c(Br)c3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2	ZINC000006488210	552594590	/nfs/dbraw/zinc/59/45/90/552594590.db2.gz	UCJKPUXLTNCTCC-IOKRJLGCSA-N	0	0	557.422	3.298	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC)c(OC)c3OC)c(=O)n2[C@@H]1c1ccc(Cl)cc1	ZINC000006488469	552594737	/nfs/dbraw/zinc/59/47/37/552594737.db2.gz	FXELUPJXMBMZBR-UBXANZILSA-N	0	0	529.014	3.478	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC)c(OC)c3OC)c(=O)n2[C@H]1c1ccc(Cl)cc1	ZINC000006488476	552594741	/nfs/dbraw/zinc/59/47/41/552594741.db2.gz	FXELUPJXMBMZBR-YMFQVDJJSA-N	0	0	529.014	3.478	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(I)cc3)c(=O)n2[C@@H]1c1ccc(O)cc1	ZINC000006488603	552594777	/nfs/dbraw/zinc/59/47/77/552594777.db2.gz	RQPBBAKURGUGNY-VOMPUTFMSA-N	0	0	546.386	3.109	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(I)cc3)c(=O)n2[C@@H]1c1ccc(OC)cc1OC	ZINC000006488607	552594769	/nfs/dbraw/zinc/59/47/69/552594769.db2.gz	KUORPZZIDXLDPD-FNUHDPNESA-N	0	0	590.439	3.420	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(I)cc3)c(=O)n2[C@H]1c1ccc(O)cc1	ZINC000006488634	552594749	/nfs/dbraw/zinc/59/47/49/552594749.db2.gz	RQPBBAKURGUGNY-YWFITGJYSA-N	0	0	546.386	3.109	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(I)cc3)c(=O)n2[C@H]1c1ccc(OC)cc1OC	ZINC000006488638	552594783	/nfs/dbraw/zinc/59/47/83/552594783.db2.gz	KUORPZZIDXLDPD-PZDOZLBDSA-N	0	0	590.439	3.420	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(I)cc3)c(=O)n2[C@H]1c1ccccc1OC	ZINC000006488645	552594764	/nfs/dbraw/zinc/59/47/64/552594764.db2.gz	PPSYNHUFVSZGFP-YMFQVDJJSA-N	0	0	560.413	3.412	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(I)o3)c(=O)n2[C@@H]1c1ccc(OC)cc1	ZINC000006488953	552594906	/nfs/dbraw/zinc/59/49/06/552594906.db2.gz	IYJJCSAROFWHKM-KZIRBZLESA-N	0	0	550.374	3.005	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCCCC4)o3)c(=O)n2[C@@H]1c1ccc(OC)cc1	ZINC000006488963	552594881	/nfs/dbraw/zinc/59/48/81/552594881.db2.gz	LBMMIZVFUFKVHF-MWKGPOOMSA-N	0	0	507.612	3.390	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCCCC4)o3)c(=O)n2[C@H]1c1ccc(OC)cc1	ZINC000006488965	552594916	/nfs/dbraw/zinc/59/49/16/552594916.db2.gz	LBMMIZVFUFKVHF-VGBYGFDOSA-N	0	0	507.612	3.390	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)c(I)c3)c(=O)n2[C@@H]1c1ccccc1	ZINC000006545069	552598048	/nfs/dbraw/zinc/59/80/48/552598048.db2.gz	OKDYSKAZGJQDQV-CNSVBDKNSA-N	0	0	560.413	3.412	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)c(I)c3)c(=O)n2[C@H]1c1ccccc1	ZINC000006545074	552597989	/nfs/dbraw/zinc/59/79/89/552597989.db2.gz	OKDYSKAZGJQDQV-FNGUVFISSA-N	0	0	560.413	3.412	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(Br)c3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2	ZINC000006545261	552598437	/nfs/dbraw/zinc/59/84/37/552598437.db2.gz	CZYPDOIYVLOYOZ-BYHQVZLYSA-N	0	0	527.396	3.290	50	0		KGAARN
CCOC(=O)C1=C(c2ccccc2)OC(N)=C(C(=O)OCCOC)[C@]12c1cc(Br)ccc1NC2=O	ZINC000006545772	552598577	/nfs/dbraw/zinc/59/85/77/552598577.db2.gz	GMOFPNKANMIQAP-VWLOTQADSA-N	0	0	543.370	3.004	50	0		KGAARN
COC(=O)c1ccc(C(=O)OC)c(NC(=O)CSc2n[nH]c(-c3cc(Br)ccc3O)n2)c1	ZINC000006579781	552601186	/nfs/dbraw/zinc/60/11/86/552601186.db2.gz	SQRVUXJUNYMSFR-UHFFFAOYSA-N	0	0	521.349	3.244	50	0		KGAARN
CCOC(=O)c1ccc2nc(NC(=O)COC(=O)CCC(=O)Nc3ccccc3C(=O)OC)sc2c1	ZINC000006599958	552601942	/nfs/dbraw/zinc/60/19/42/552601942.db2.gz	IZBVLHIOVDQQCS-UHFFFAOYSA-N	0	0	513.528	3.160	50	0		KGAARN
CC[C@@H](C)[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(C)C)C(N)=O	ZINC000006631985	552971956	/nfs/dbraw/zinc/97/19/56/552971956.db2.gz	IKFRHSVOZGBHIG-WIQPIVSASA-N	0	0	529.682	3.151	50	0		KGAARN
CC[C@@H](C)[C@@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(C)C)C(N)=O	ZINC000006632002	552971935	/nfs/dbraw/zinc/97/19/35/552971935.db2.gz	IKFRHSVOZGBHIG-FJTGNWTPSA-N	0	0	529.682	3.151	50	0		KGAARN
CC[C@H](C)[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(C)C)C(N)=O	ZINC000006821395	552973094	/nfs/dbraw/zinc/97/30/94/552973094.db2.gz	IKFRHSVOZGBHIG-QMZRJTEUSA-N	0	0	529.682	3.151	50	0		KGAARN
CC[C@H](C)[C@@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(C)C)C(N)=O	ZINC000006821413	552973064	/nfs/dbraw/zinc/97/30/64/552973064.db2.gz	IKFRHSVOZGBHIG-AIZKBTNYSA-N	0	0	529.682	3.151	50	0		KGAARN
IC(I)(I)I	ZINC000006827592	552974228	/nfs/dbraw/zinc/97/42/28/552974228.db2.gz	JOHCVVJGGSABQY-UHFFFAOYSA-N	0	0	519.627	3.338	50	0		KGAARN
CN(c1ccc(C(=O)NCCNC(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)cc1)S(=O)(=O)c1ccccc1	ZINC000006878774	552976132	/nfs/dbraw/zinc/97/61/32/552976132.db2.gz	YBYZPGTWUSGXRS-UHFFFAOYSA-N	0	0	606.726	3.497	50	0		KGAARN
COC(=O)c1ccc(C(=O)OC)c(NC(=O)c2ccc(C(=O)Nc3cc(C(=O)OC)ccc3C(=O)OC)cc2)c1	ZINC000006879020	552976183	/nfs/dbraw/zinc/97/61/83/552976183.db2.gz	BJEWHARQMVOCCC-UHFFFAOYSA-N	0	0	548.504	3.338	50	0		KGAARN
COc1ccc(N(CC(=O)Nc2ccc3c(c2)OCCO3)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1	ZINC000006973663	552981020	/nfs/dbraw/zinc/98/10/20/552981020.db2.gz	CANPMYGONIOSTF-UHFFFAOYSA-N	0	0	514.556	3.318	50	0		KGAARN
C[C@@H]1O[C@@H](O[C@@H]2C=C3CC[C@@H]4[C@@H](CC[C@]5(C)[C@@H](c6ccc(=O)oc6)CC[C@]45O)[C@@]3(C)CC2)[C@H](O)[C@H](O)[C@H]1O	ZINC000008143879	290713791	/nfs/dbraw/zinc/71/37/91/290713791.db2.gz	MYEJFUXQJGHEQK-XSSFRCMRSA-N	0	0	530.658	3.014	50	0	biogenic,in-vitro	KGAARN
C[C@@H]1O[C@@H](O[C@@H]2C=C3CC[C@@H]4[C@H](CC[C@]5(C)[C@@H](c6ccc(=O)oc6)CC[C@]45O)[C@@]3(C)CC2)[C@H](O)[C@H](O)[C@H]1O	ZINC000008214665	290713792	/nfs/dbraw/zinc/71/37/92/290713792.db2.gz	MYEJFUXQJGHEQK-ALRJYLEOSA-N	0	0	530.658	3.014	50	0	biogenic,in-man	KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(O)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OC)cc1	ZINC000008383341	552986192	/nfs/dbraw/zinc/98/61/92/552986192.db2.gz	MUMTZYAFCDWKRO-JAORQVBISA-N	0	0	606.438	3.126	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(O)c(OC)c3)c(=O)n2[C@H]1c1ccc(OC)cc1	ZINC000008383345	552986159	/nfs/dbraw/zinc/98/61/59/552986159.db2.gz	MUMTZYAFCDWKRO-JCAJYURWSA-N	0	0	606.438	3.126	50	0		KGAARN
CC(C)C(=O)OC1C(OC(=O)C(C)C)C(OC(=O)C(C)C)C(OC(=O)C(C)C)C(OC(=O)C(C)C)C1OC(=O)C(C)C	ZINC000008385143	552990659	/nfs/dbraw/zinc/99/06/59/552990659.db2.gz	OYJSFYMHRSFWJW-UHFFFAOYSA-N	0	0	600.702	3.407	50	0		KGAARN
COc1ccc(CN2CCOCCOCCN(Cc3ccc(OC)cc3)CCOCCOCC2)cc1	ZINC000008385794	552991386	/nfs/dbraw/zinc/99/13/86/552991386.db2.gz	CBTLSJLFFWNXDL-UHFFFAOYSA-N	0	0	502.652	3.088	50	0		KGAARN
c1ccc2c(c1)OCCOCCOCCOCCOCCOc1ccccc1OCCOCCOCCO2	ZINC000008385795	552991280	/nfs/dbraw/zinc/99/12/80/552991280.db2.gz	GLWJYTMHGPSPNN-UHFFFAOYSA-N	0	0	536.618	3.015	50	0		KGAARN
CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(N4CCOCC4)o3)c(=O)n2[C@@H]1c1ccccc1	ZINC000008385929	552991602	/nfs/dbraw/zinc/99/16/02/552991602.db2.gz	BRSXUDQJAAMZTR-HJANLVRMSA-N	0	0	541.629	3.365	50	0		KGAARN
CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(N4CCOCC4)o3)c(=O)n2[C@H]1c1ccccc1	ZINC000008385931	552991568	/nfs/dbraw/zinc/99/15/68/552991568.db2.gz	BRSXUDQJAAMZTR-DPHWBULTSA-N	0	0	541.629	3.365	50	0		KGAARN
COC(=O)/C=C(\C(=O)OC)n1c(Cc2ccccc2)c(C(=O)OC)c(C(=O)OC)c1Cc1ccccc1	ZINC000008386445	552992065	/nfs/dbraw/zinc/99/20/65/552992065.db2.gz	UUKCGEVCPDIFQP-OQKWZONESA-N	0	0	505.523	3.430	50	0		KGAARN
CCOc1cc(/C=C2/NC(=O)N(c3ccccc3)C2=O)cc(I)c1OCC(=O)OC	ZINC000008395978	552994380	/nfs/dbraw/zinc/99/43/80/552994380.db2.gz	BYKMYCIFHVYSSM-MHWRWJLKSA-N	0	0	522.295	3.339	50	0		KGAARN
Cc1ccc(S(=O)(=O)Oc2ccc([C@@H]3c4c(n(C)c(=O)n(C)c4=O)N=C4c5ccccc5C(=O)[C@@H]43)cc2)cc1	ZINC000008396061	552994615	/nfs/dbraw/zinc/99/46/15/552994615.db2.gz	SFSCIDBLQNOCGR-XZOQPEGZSA-N	0	0	541.585	3.239	50	0		KGAARN
Cc1ccc(S(=O)(=O)Oc2ccc([C@H]3c4c(n(C)c(=O)n(C)c4=O)N=C4c5ccccc5C(=O)[C@@H]43)cc2)cc1	ZINC000008396062	552994627	/nfs/dbraw/zinc/99/46/27/552994627.db2.gz	SFSCIDBLQNOCGR-DHIUTWEWSA-N	0	0	541.585	3.239	50	0		KGAARN
Cc1ccc(S(=O)(=O)Oc2ccc([C@@H]3c4c(n(C)c(=O)n(C)c4=O)N=C4c5ccccc5C(=O)[C@H]43)cc2)cc1	ZINC000008396063	552994619	/nfs/dbraw/zinc/99/46/19/552994619.db2.gz	SFSCIDBLQNOCGR-GOTSBHOMSA-N	0	0	541.585	3.239	50	0		KGAARN
Cc1ccc(S(=O)(=O)Oc2ccc([C@H]3c4c(n(C)c(=O)n(C)c4=O)N=C4c5ccccc5C(=O)[C@H]43)cc2)cc1	ZINC000008396064	552994609	/nfs/dbraw/zinc/99/46/09/552994609.db2.gz	SFSCIDBLQNOCGR-PKTZIBPZSA-N	0	0	541.585	3.239	50	0		KGAARN
COC(=O)C1=C(C(=O)OC)SC2(S1)C(C(=O)OC)=C(C(=O)OC)SC1=C2c2ccc(C)cc2N(C(=O)CN2C(=O)CCC2=O)C1(C)C	ZINC000008396086	552994616	/nfs/dbraw/zinc/99/46/16/552994616.db2.gz	RXONYKVOHAZBTA-UHFFFAOYSA-N	0	0	702.785	3.061	50	0		KGAARN
CCOC(=O)COc1c(Br)cc(/C=C2/NC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)cc1OC	ZINC000008396164	552994848	/nfs/dbraw/zinc/99/48/48/552994848.db2.gz	DNHKAJSGLFRGNJ-VCHYOVAHSA-N	0	0	546.374	3.239	50	0		KGAARN
O=C(CCCCC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1	ZINC000008396950	552995987	/nfs/dbraw/zinc/99/59/87/552995987.db2.gz	WTFKNGALFXJMLC-UHFFFAOYSA-N	0	0	562.714	3.393	50	0		KGAARN
COc1ccc(C(=O)NC[C@H](C)NC(=O)c2ccc(OC)c(I)c2)cc1I	ZINC000008397158	552996278	/nfs/dbraw/zinc/99/62/78/552996278.db2.gz	QRBWYJORHDVFNH-NSHDSACASA-N	0	0	594.187	3.461	50	0		KGAARN
COc1ccc(C(=O)NC[C@@H](C)NC(=O)c2ccc(OC)c(I)c2)cc1I	ZINC000008397162	552996485	/nfs/dbraw/zinc/99/64/85/552996485.db2.gz	QRBWYJORHDVFNH-LLVKDONJSA-N	0	0	594.187	3.461	50	0		KGAARN
CC(=O)O[C@@H]1CO[C@@H](Sc2nc3ccc(Br)cc3c(=O)n2-c2ccccc2)[C@H](OC(C)=O)[C@H]1OC(C)=O	ZINC000008397455	552996609	/nfs/dbraw/zinc/99/66/09/552996609.db2.gz	QSVOKUCLXSSKDP-GBAAUQCPSA-N	0	0	591.436	3.392	50	0		KGAARN
CCN(CC)S(=O)(=O)c1ccc(NC(=O)CCCC(=O)Nc2ccc(S(=O)(=O)N(CC)CC)cc2)cc1	ZINC000008397514	552996882	/nfs/dbraw/zinc/99/68/82/552996882.db2.gz	GZKBONALCHBSLD-UHFFFAOYSA-N	0	0	552.719	3.495	50	0		KGAARN
O=C(NCCNC(=O)c1ccccc1I)c1ccccc1I	ZINC000008397701	552997435	/nfs/dbraw/zinc/99/74/35/552997435.db2.gz	RRWOITWIXNIPRR-UHFFFAOYSA-N	0	0	520.108	3.056	50	0		KGAARN
COC(=O)c1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(C(=O)OC)c(C(=O)OC)c3)cc2)cc1C(=O)OC	ZINC000008397733	552997395	/nfs/dbraw/zinc/99/73/95/552997395.db2.gz	ZHYPTLVOORROKV-UHFFFAOYSA-N	0	0	548.504	3.338	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3OCC(=O)NCc3ccccc3)c(=O)n2[C@@H]1c1ccc(O)c(OC)c1	ZINC000008397761	552997409	/nfs/dbraw/zinc/99/74/09/552997409.db2.gz	HSKCWRCMVNKTIW-KOBOZNMDSA-N	0	0	613.692	3.208	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3OCC(=O)NCc3ccccc3)c(=O)n2[C@H]1c1ccc(O)c(OC)c1	ZINC000008397768	552997486	/nfs/dbraw/zinc/99/74/86/552997486.db2.gz	HSKCWRCMVNKTIW-OGEXXFCLSA-N	0	0	613.692	3.208	50	0		KGAARN
COC(=O)CN(CC(=O)OC)c1ccc(C)cc1OCCOc1cc(C=O)c(OCc2ccccc2)cc1N(CC(=O)OC)CC(=O)OC	ZINC000008398929	553000110	/nfs/dbraw/zinc/00/01/10/553000110.db2.gz	PYMGRNDLVMZAPS-UHFFFAOYSA-N	0	0	680.707	3.149	50	0		KGAARN
COc1cc(C(=O)N[C@H]2CCCC[C@@H]2NC(=O)c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC	ZINC000008399271	553000812	/nfs/dbraw/zinc/00/08/12/553000812.db2.gz	BSCUNUROVIZVIC-ROUUACIJSA-N	0	0	502.564	3.209	50	0	biogenic,in-vitro	KGAARN
COc1cc(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC	ZINC000008399275	553000852	/nfs/dbraw/zinc/00/08/52/553000852.db2.gz	BSCUNUROVIZVIC-QZTJIDSGSA-N	0	0	502.564	3.209	50	0	biogenic,in-vitro	KGAARN
COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4ccc5c(c4)n(C)c(=O)n5C)c(=O)n32)cc1	ZINC000008399347	553000830	/nfs/dbraw/zinc/00/08/30/553000830.db2.gz	HDKIKAKAJLOIQH-CSJROMOCSA-N	0	0	565.655	3.073	50	0		KGAARN
COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4ccc5c(c4)n(C)c(=O)n5C)c(=O)n32)cc1	ZINC000008399350	553000810	/nfs/dbraw/zinc/00/08/10/553000810.db2.gz	HDKIKAKAJLOIQH-ABBNRAPFSA-N	0	0	565.655	3.073	50	0		KGAARN
NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(C(=O)Nc4ccc(S(=O)(=O)Nc5ccc(S(N)(=O)=O)cc5)cc4)cc3)cc2)cc1	ZINC000008399695	553001756	/nfs/dbraw/zinc/00/17/56/553001756.db2.gz	SVPXFKSTMALJMW-UHFFFAOYSA-N	0	0	784.876	3.088	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCN(C)CC4)o3)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1	ZINC000008399811	553002010	/nfs/dbraw/zinc/00/20/10/553002010.db2.gz	OJOKMZHCKMRDRS-CVMWMZFYSA-N	0	0	534.682	3.267	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCN(C)CC4)o3)c(=O)n2[C@H]1c1ccc(C(C)C)cc1	ZINC000008399813	553002062	/nfs/dbraw/zinc/00/20/62/553002062.db2.gz	OJOKMZHCKMRDRS-QAHUDSGCSA-N	0	0	534.682	3.267	50	0		KGAARN
CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(N4CCN(C)CC4)o3)c(=O)n2[C@@H]1c1ccc(OC)cc1	ZINC000008399850	553002328	/nfs/dbraw/zinc/00/23/28/553002328.db2.gz	UKMVSYFIXMEVOT-RKVROBFMSA-N	0	0	584.698	3.289	50	0		KGAARN
CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(N4CCN(C)CC4)o3)c(=O)n2[C@H]1c1ccc(OC)cc1	ZINC000008399852	553002322	/nfs/dbraw/zinc/00/23/22/553002322.db2.gz	UKMVSYFIXMEVOT-XMYFTLFESA-N	0	0	584.698	3.289	50	0		KGAARN
CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(N4CCN(C)CC4)o3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1	ZINC000008399861	553002302	/nfs/dbraw/zinc/00/23/02/553002302.db2.gz	PHASNDXPRPAAGY-BQRJEURGSA-N	0	0	614.724	3.298	50	0		KGAARN
CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(N4CCN(C)CC4)o3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1	ZINC000008399864	553002367	/nfs/dbraw/zinc/00/23/67/553002367.db2.gz	PHASNDXPRPAAGY-OWIVCOMISA-N	0	0	614.724	3.298	50	0		KGAARN
NS(=O)(=O)c1ccc(N(C(=O)COc2ccccc2)S(=O)(=O)c2ccc(NC(=O)COc3ccccc3)cc2)cc1	ZINC000008400274	553004230	/nfs/dbraw/zinc/00/42/30/553004230.db2.gz	VAMRBQGMECGFPS-UHFFFAOYSA-N	0	0	595.655	3.152	50	0		KGAARN
COc1ccc(C2(CNC(=O)c3ccc(O[C@@H]4O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]4OC(C)=O)c(OC)c3)CCCC2)cc1OC	ZINC000008400349	553004493	/nfs/dbraw/zinc/00/44/93/553004493.db2.gz	VTKCBULVLGVOEO-RNPUFIIPSA-N	0	0	715.749	3.416	50	0		KGAARN
COc1ccc(C2(CNC(=O)c3ccc(O[C@@H]4O[C@@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]4OC(C)=O)c(OC)c3)CCCC2)cc1OC	ZINC000008400350	553004464	/nfs/dbraw/zinc/00/44/64/553004464.db2.gz	VTKCBULVLGVOEO-XVUJOJRVSA-N	0	0	715.749	3.416	50	0		KGAARN
COc1ccc(C2(CNC(=O)c3ccc(O[C@@H]4O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]4OC(C)=O)c(OC)c3)CCCC2)cc1OC	ZINC000008400355	553004501	/nfs/dbraw/zinc/00/45/01/553004501.db2.gz	VTKCBULVLGVOEO-MTKBKKHXSA-N	0	0	715.749	3.416	50	0		KGAARN
COc1ccc(C2(CNC(=O)c3ccc(O[C@@H]4O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]4OC(C)=O)c(OC)c3)CCCC2)cc1OC	ZINC000008400360	553004483	/nfs/dbraw/zinc/00/44/83/553004483.db2.gz	VTKCBULVLGVOEO-OXIIUWEWSA-N	0	0	715.749	3.416	50	0		KGAARN
CCOc1ccccc1N1C(=O)[C@H]2[C@@H](C1=O)C1(Br)C=C(C(=O)OC)C2[C@H]2C(=O)N(c3ccccc3OCC)C(=O)[C@H]21	ZINC000008403135	553006457	/nfs/dbraw/zinc/00/64/57/553006457.db2.gz	SPYWZTMYLFFYMB-BXHQVFPPSA-N	0	0	623.456	3.272	50	0		KGAARN
COc1ccc(OC)c(N(CC(=O)NCCc2ccc(OC)c(OC)c2)S(=O)(=O)c2ccc(OC)c(OC)c2)c1	ZINC000008405758	553007207	/nfs/dbraw/zinc/00/72/07/553007207.db2.gz	RJQMBCNMWJQSOD-UHFFFAOYSA-N	0	0	574.652	3.292	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(OC)c(OC)c3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2	ZINC000008407343	553007881	/nfs/dbraw/zinc/00/78/81/553007881.db2.gz	MCHMWCRHZYMCHR-BJJGPXNVSA-N	0	0	634.448	3.149	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(OC)c(OC)c3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2	ZINC000008407345	553007852	/nfs/dbraw/zinc/00/78/52/553007852.db2.gz	MCHMWCRHZYMCHR-IOKRJLGCSA-N	0	0	634.448	3.149	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(OC)c(OC)cc3Br)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2	ZINC000008407424	553008366	/nfs/dbraw/zinc/00/83/66/553008366.db2.gz	MLPPSRSJRYYJGG-OVBPWOOMSA-N	0	0	587.448	3.307	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(OC)c(OC)cc3Br)c(=O)n2[C@H]1c1ccc2c(c1)OCO2	ZINC000008407427	553008351	/nfs/dbraw/zinc/00/83/51/553008351.db2.gz	MLPPSRSJRYYJGG-VANJFMAXSA-N	0	0	587.448	3.307	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(OC)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1	ZINC000008407485	553008326	/nfs/dbraw/zinc/00/83/26/553008326.db2.gz	ATNDUSFTRPGDAX-YOKWNPFVSA-N	0	0	650.491	3.437	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(OC)c(OC)c3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1	ZINC000008407489	553008361	/nfs/dbraw/zinc/00/83/61/553008361.db2.gz	ATNDUSFTRPGDAX-NWKGEQBZSA-N	0	0	650.491	3.437	50	0		KGAARN
COc1cc(/C=C2/N=C(SCC(=O)NCCc3ccc(S(N)(=O)=O)cc3)N(c3ccccc3)C2=O)cc(OC)c1OC	ZINC000008416742	553012205	/nfs/dbraw/zinc/01/22/05/553012205.db2.gz	MOCFZRDEZIFEOG-HZHRSRAPSA-N	0	0	610.714	3.196	50	0		KGAARN
CC(=O)OC[C@H]1O[C@@H](SC2=N/C(=C\c3ccccc3)C(=O)N2c2ccccc2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	ZINC000008417054	553012483	/nfs/dbraw/zinc/01/24/83/553012483.db2.gz	AKCZYLVRRRRJPS-QVXBFKHESA-N	0	0	610.641	3.247	50	0		KGAARN
CC(=O)OC[C@@H]1O[C@@H](SC2=N/C(=C\c3ccccc3)C(=O)N2c2ccccc2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	ZINC000008417060	553012481	/nfs/dbraw/zinc/01/24/81/553012481.db2.gz	AKCZYLVRRRRJPS-JNZIJISZSA-N	0	0	610.641	3.247	50	0		KGAARN
CC(=O)OC[C@H]1O[C@@H](SC2=N/C(=C\c3ccccc3)C(=O)N2c2ccccc2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000008417064	553012501	/nfs/dbraw/zinc/01/25/01/553012501.db2.gz	AKCZYLVRRRRJPS-DYWNDGAHSA-N	0	0	610.641	3.247	50	0		KGAARN
CC(=O)OC[C@@H]1O[C@@H](SC2=N/C(=C\c3ccccc3)C(=O)N2c2ccccc2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000008417071	553012700	/nfs/dbraw/zinc/01/27/00/553012700.db2.gz	AKCZYLVRRRRJPS-UFHZGIEWSA-N	0	0	610.641	3.247	50	0		KGAARN
CC(=O)OC[C@H]1O[C@@H](SC2=N/C(=C\c3cccs3)C(=O)N2c2ccccc2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	ZINC000008417074	553012698	/nfs/dbraw/zinc/01/26/98/553012698.db2.gz	FPRYYLFGRJZXPA-RNLZEUJJSA-N	0	0	616.670	3.308	50	0		KGAARN
CC(=O)OC[C@@H]1O[C@@H](SC2=N/C(=C\c3cccs3)C(=O)N2c2ccccc2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	ZINC000008417079	553012761	/nfs/dbraw/zinc/01/27/61/553012761.db2.gz	FPRYYLFGRJZXPA-XYIUKSLHSA-N	0	0	616.670	3.308	50	0		KGAARN
CC(=O)OC[C@H]1O[C@@H](SC2=N/C(=C\c3cccs3)C(=O)N2c2ccccc2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000008417084	553012741	/nfs/dbraw/zinc/01/27/41/553012741.db2.gz	FPRYYLFGRJZXPA-RROYZXCFSA-N	0	0	616.670	3.308	50	0		KGAARN
CC(=O)OC[C@@H]1O[C@@H](SC2=N/C(=C\c3cccs3)C(=O)N2c2ccccc2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000008417087	553012670	/nfs/dbraw/zinc/01/26/70/553012670.db2.gz	FPRYYLFGRJZXPA-IBJSCPRHSA-N	0	0	616.670	3.308	50	0		KGAARN
COc1ccc(N2C(=O)/C(=C/c3cccs3)N=C2S[C@@H]2O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]2OC(C)=O)cc1	ZINC000008417108	553012753	/nfs/dbraw/zinc/01/27/53/553012753.db2.gz	KQCLFDVDJZCTSY-SLUCVGRPSA-N	0	0	646.696	3.317	50	0		KGAARN
COc1ccc(N2C(=O)/C(=C/c3cccs3)N=C2S[C@@H]2O[C@@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]2OC(C)=O)cc1	ZINC000008417111	553012747	/nfs/dbraw/zinc/01/27/47/553012747.db2.gz	KQCLFDVDJZCTSY-KIIGFSDWSA-N	0	0	646.696	3.317	50	0		KGAARN
COc1ccc(N2C(=O)/C(=C/c3cccs3)N=C2S[C@@H]2O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]2OC(C)=O)cc1	ZINC000008417115	553012710	/nfs/dbraw/zinc/01/27/10/553012710.db2.gz	KQCLFDVDJZCTSY-TVPGYEKNSA-N	0	0	646.696	3.317	50	0		KGAARN
COc1ccc(N2C(=O)/C(=C/c3cccs3)N=C2S[C@@H]2O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]2OC(C)=O)cc1	ZINC000008417119	553012740	/nfs/dbraw/zinc/01/27/40/553012740.db2.gz	KQCLFDVDJZCTSY-NJJZJZCISA-N	0	0	646.696	3.317	50	0		KGAARN
COc1ccc(/C=C2\N=C(S[C@@H]3O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3OC(C)=O)N(c3ccccc3)C2=O)cc1	ZINC000008417242	553012679	/nfs/dbraw/zinc/01/26/79/553012679.db2.gz	CVOUWPZPGDYHAW-VAZHXIMSSA-N	0	0	640.667	3.255	50	0		KGAARN
COc1ccc(/C=C2\N=C(S[C@H]3O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3OC(C)=O)N(c3ccccc3)C2=O)cc1	ZINC000008417247	553012696	/nfs/dbraw/zinc/01/26/96/553012696.db2.gz	CVOUWPZPGDYHAW-UCISPUGKSA-N	0	0	640.667	3.255	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(O)c(OC)c3)c(=O)n2[C@@H]1c1cc(OC)ccc1OC	ZINC000008424346	553013565	/nfs/dbraw/zinc/01/35/65/553013565.db2.gz	SZHZTEUGEGBSJR-JGZDWKDESA-N	0	0	589.464	3.292	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(O)c(OC)c3)c(=O)n2[C@H]1c1cc(OC)ccc1OC	ZINC000008424347	553013521	/nfs/dbraw/zinc/01/35/21/553013521.db2.gz	SZHZTEUGEGBSJR-WYWXSHKMSA-N	0	0	589.464	3.292	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(O)c(OC)c3)c(=O)n2[C@@H]1c1cc(OC)ccc1OC	ZINC000008424355	553013538	/nfs/dbraw/zinc/01/35/38/553013538.db2.gz	VUWVMMKIILUQEQ-JGZDWKDESA-N	0	0	636.464	3.134	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(O)c(OC)c3)c(=O)n2[C@H]1c1cc(OC)ccc1OC	ZINC000008424356	553013531	/nfs/dbraw/zinc/01/35/31/553013531.db2.gz	VUWVMMKIILUQEQ-WYWXSHKMSA-N	0	0	636.464	3.134	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(O)c(OC)c3)c(=O)n2[C@@H]1c1cccs1	ZINC000008424423	553013560	/nfs/dbraw/zinc/01/35/60/553013560.db2.gz	NHNLKIBFKVAJTF-GANRHZMWSA-N	0	0	535.441	3.337	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(O)c(OC)c3)c(=O)n2[C@H]1c1cccs1	ZINC000008424426	553013546	/nfs/dbraw/zinc/01/35/46/553013546.db2.gz	NHNLKIBFKVAJTF-BXBHGGAKSA-N	0	0	535.441	3.337	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3O)c(=O)n2[C@@H]1c1cc(OC)c(OC)cc1Br	ZINC000008424439	553013575	/nfs/dbraw/zinc/01/35/75/553013575.db2.gz	KZQSXKSRHHAOOU-BJJGPXNVSA-N	0	0	559.438	3.284	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3O)c(=O)n2[C@H]1c1cc(OC)c(OC)cc1Br	ZINC000008424441	553013503	/nfs/dbraw/zinc/01/35/03/553013503.db2.gz	KZQSXKSRHHAOOU-IOKRJLGCSA-N	0	0	559.438	3.284	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(O)c(OC)c3)c(=O)n2[C@@H]1c1cccs1	ZINC000008424448	553013757	/nfs/dbraw/zinc/01/37/57/553013757.db2.gz	UOQLHWUVPHZXHQ-GANRHZMWSA-N	0	0	582.441	3.179	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(O)c(OC)c3)c(=O)n2[C@H]1c1cccs1	ZINC000008424450	553013733	/nfs/dbraw/zinc/01/37/33/553013733.db2.gz	UOQLHWUVPHZXHQ-BXBHGGAKSA-N	0	0	582.441	3.179	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)ccc3O)c(=O)n2[C@@H]1c1cccs1	ZINC000008424717	553014218	/nfs/dbraw/zinc/01/42/18/553014218.db2.gz	LTQINUYSWPSMNB-GANRHZMWSA-N	0	0	505.415	3.328	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)ccc3O)c(=O)n2[C@H]1c1cccs1	ZINC000008424719	553014099	/nfs/dbraw/zinc/01/40/99/553014099.db2.gz	LTQINUYSWPSMNB-BXBHGGAKSA-N	0	0	505.415	3.328	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(OC)c(O)cc3Br)c(=O)n2[C@@H]1c1ccccc1	ZINC000008424721	553014113	/nfs/dbraw/zinc/01/41/13/553014113.db2.gz	QGMMJSSVUMMMDK-ZNQKWNQWSA-N	0	0	529.412	3.275	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(OC)c(O)cc3Br)c(=O)n2[C@H]1c1ccccc1	ZINC000008424722	553014189	/nfs/dbraw/zinc/01/41/89/553014189.db2.gz	QGMMJSSVUMMMDK-MRCZTLKWSA-N	0	0	529.412	3.275	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC)cc3C)c(=O)n2[C@@H]1c1cc(OC)ccc1OC	ZINC000008424750	553014172	/nfs/dbraw/zinc/01/41/72/553014172.db2.gz	YCCDTYPNRKPNRK-LYRGBEMXSA-N	0	0	508.596	3.133	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC)cc3C)c(=O)n2[C@H]1c1cc(OC)ccc1OC	ZINC000008424753	553014137	/nfs/dbraw/zinc/01/41/37/553014137.db2.gz	YCCDTYPNRKPNRK-JGTYQCAFSA-N	0	0	508.596	3.133	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(OC)c(O)cc3Br)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1	ZINC000008424780	553014520	/nfs/dbraw/zinc/01/45/20/553014520.db2.gz	PXYMBGQZYVOYJO-YLVTVWEBSA-N	0	0	589.464	3.292	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(OC)c(O)cc3Br)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1	ZINC000008424782	553014535	/nfs/dbraw/zinc/01/45/35/553014535.db2.gz	PXYMBGQZYVOYJO-KIHONOKQSA-N	0	0	589.464	3.292	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(OC)c(O)cc3Br)c(=O)n2[C@@H]1c1ccc(OC)cc1	ZINC000008424808	553014511	/nfs/dbraw/zinc/01/45/11/553014511.db2.gz	YCQSLIUBEUQTGM-JGZDWKDESA-N	0	0	559.438	3.284	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(OC)c(O)cc3Br)c(=O)n2[C@H]1c1ccc(OC)cc1	ZINC000008424810	553014554	/nfs/dbraw/zinc/01/45/54/553014554.db2.gz	YCQSLIUBEUQTGM-WYWXSHKMSA-N	0	0	559.438	3.284	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C/c3c[nH]c4ccccc34)c(=O)n2[C@H]1c1ccc(OC)cc1OC	ZINC000008425172	553014970	/nfs/dbraw/zinc/01/49/70/553014970.db2.gz	VAFSANMHPPZMGH-XOBACGFXSA-N	0	0	503.580	3.297	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(O)c3)c(=O)n2[C@@H]1c1cc(Br)c(OC)cc1OC	ZINC000008425372	553015136	/nfs/dbraw/zinc/01/51/36/553015136.db2.gz	VLTRCYIGAHAPGP-BJJGPXNVSA-N	0	0	559.438	3.284	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(O)c3)c(=O)n2[C@H]1c1cc(Br)c(OC)cc1OC	ZINC000008425373	553015159	/nfs/dbraw/zinc/01/51/59/553015159.db2.gz	VLTRCYIGAHAPGP-IOKRJLGCSA-N	0	0	559.438	3.284	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Cl)cc3)c(=O)n2[C@@H]1c1ccc(OC(C)=O)c(OC)c1	ZINC000008425837	553016699	/nfs/dbraw/zinc/01/66/99/553016699.db2.gz	RVFHETIGTDUGCK-YOKWNPFVSA-N	0	0	526.998	3.386	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Cl)cc3)c(=O)n2[C@H]1c1ccc(OC(C)=O)c(OC)c1	ZINC000008425838	553016691	/nfs/dbraw/zinc/01/66/91/553016691.db2.gz	RVFHETIGTDUGCK-NWKGEQBZSA-N	0	0	526.998	3.386	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Br)cc3)c(=O)n2[C@@H]1c1ccc(OC(C)=O)cc1	ZINC000008425886	553017004	/nfs/dbraw/zinc/01/70/04/553017004.db2.gz	UUQPIUOHSCBRME-WVWKGNOCSA-N	0	0	541.423	3.486	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Br)cc3)c(=O)n2[C@H]1c1ccc(OC(C)=O)cc1	ZINC000008425888	553017008	/nfs/dbraw/zinc/01/70/08/553017008.db2.gz	UUQPIUOHSCBRME-IMEWXKHHSA-N	0	0	541.423	3.486	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C/C=C/c3ccccc3)c(=O)n2[C@@H]1c1ccc(OC(C)=O)c(OC)c1	ZINC000008425924	553017280	/nfs/dbraw/zinc/01/72/80/553017280.db2.gz	IZKINMBIUUGNCI-OTGJMIOASA-N	0	0	518.591	3.397	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C/C=C/c3ccccc3)c(=O)n2[C@H]1c1ccc(OC(C)=O)c(OC)c1	ZINC000008425926	553017226	/nfs/dbraw/zinc/01/72/26/553017226.db2.gz	IZKINMBIUUGNCI-IWDGAEEVSA-N	0	0	518.591	3.397	50	0		KGAARN
CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cccnc3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1	ZINC000008426110	553017468	/nfs/dbraw/zinc/01/74/68/553017468.db2.gz	AKNSYGQQPLNTLR-IBYCJETLSA-N	0	0	527.602	3.348	50	0		KGAARN
CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cccnc3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1	ZINC000008426112	553017476	/nfs/dbraw/zinc/01/74/76/553017476.db2.gz	AKNSYGQQPLNTLR-OFCKJYIJSA-N	0	0	527.602	3.348	50	0		KGAARN
CSc1nc(N)c(C(c2cn(-c3ccccc3)nc2-c2ccccc2)c2c(N)nc(SC)[nH]c2=O)c(=O)[nH]1	ZINC000008426381	553018047	/nfs/dbraw/zinc/01/80/47/553018047.db2.gz	YFDLVQCSXWDWQJ-UHFFFAOYSA-N	0	0	544.666	3.494	50	0		KGAARN
Cn1cnnc1SCC(=O)Nc1ccc2nc(-c3ccc(NC(=O)CSc4nncn4C)cc3O)sc2c1	ZINC000008426460	553018410	/nfs/dbraw/zinc/01/84/10/553018410.db2.gz	FUOVFOBDDBNSNZ-UHFFFAOYSA-N	0	0	567.682	3.388	50	0		KGAARN
CC(=O)O[C@H](C(=O)Nc1ccccc1Cl)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)C(=O)Nc1ccccc1Cl	ZINC000008429865	553020607	/nfs/dbraw/zinc/02/06/07/553020607.db2.gz	BLRLNZSXWVWNBW-ZJZGAYNASA-N	0	0	597.404	3.297	50	0		KGAARN
CC(=O)O[C@@H]([C@H](OC(C)=O)C(=O)Nc1ccccc1Cl)[C@H](OC(C)=O)[C@H](OC(C)=O)C(=O)Nc1ccccc1Cl	ZINC000008429866	553020594	/nfs/dbraw/zinc/02/05/94/553020594.db2.gz	BLRLNZSXWVWNBW-KIHHCIJBSA-N	0	0	597.404	3.297	50	0		KGAARN
CC(=O)O[C@H]([C@@H](OC(C)=O)[C@H](OC(C)=O)C(=O)Nc1ccccc1Cl)[C@H](OC(C)=O)C(=O)Nc1ccccc1Cl	ZINC000008429868	553020618	/nfs/dbraw/zinc/02/06/18/553020618.db2.gz	BLRLNZSXWVWNBW-LWSSLDFYSA-N	0	0	597.404	3.297	50	0		KGAARN
COC(=O)c1ccc(NC(=O)CN(c2cc(OC)ccc2OC)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1	ZINC000008430013	553020615	/nfs/dbraw/zinc/02/06/15/553020615.db2.gz	JTHIHSMTGOZCFS-UHFFFAOYSA-N	0	0	544.582	3.342	50	0		KGAARN
CCOC(=O)COc1c(Br)cc(/C=C2\SC(=O)N(CC(=O)N3CCCC3)C2=O)cc1OC	ZINC000008430222	553021074	/nfs/dbraw/zinc/02/10/74/553021074.db2.gz	LHDYNGFEVDDAGP-YBEGLDIGSA-N	0	0	527.393	3.058	50	0		KGAARN
O=C(c1ccc(S(=O)(=O)N2CCOCC2)cc1)N1CCC(CN2C(=O)c3cccc4cccc(c43)C2=O)CC1	ZINC000008431920	553024695	/nfs/dbraw/zinc/02/46/95/553024695.db2.gz	MKLLNLSEHDYTRK-UHFFFAOYSA-N	0	0	547.633	3.009	50	0		KGAARN
COc1cc(-c2ccc(NC(=O)CSc3nncn3C)c(OC)c2)ccc1NC(=O)CSc1nncn1C	ZINC000008432542	553026393	/nfs/dbraw/zinc/02/63/93/553026393.db2.gz	GQLINJNSPRIHGH-UHFFFAOYSA-N	0	0	554.658	3.089	50	0		KGAARN
COC(=O)C1=C(C)N=c2s/c(=C/c3cccc(I)c3)c(=O)n2[C@H]1c1ccccc1	ZINC000008432627	553026643	/nfs/dbraw/zinc/02/66/43/553026643.db2.gz	UPVYSQMHZDOTOZ-WPNIOXTASA-N	0	0	516.360	3.013	50	0		KGAARN
COC(=O)C1=C(C)N=c2s/c(=C/c3cccc(I)c3)c(=O)n2[C@@H]1c1ccccc1	ZINC000008432628	553026635	/nfs/dbraw/zinc/02/66/35/553026635.db2.gz	UPVYSQMHZDOTOZ-XYSGSMRZSA-N	0	0	516.360	3.013	50	0		KGAARN
Cc1ccc(S(=O)(=O)N2CCOCCN(S(=O)(=O)c3ccc(C)cc3)CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1	ZINC000008432926	553027457	/nfs/dbraw/zinc/02/74/57/553027457.db2.gz	DLTDGHKMHYZWOI-UHFFFAOYSA-N	0	0	635.830	3.015	50	0		KGAARN
Cc1ccc(S(=O)(=O)N2CCOCCOCCN(S(=O)(=O)c3ccc(C)cc3)CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1	ZINC000008432927	553027424	/nfs/dbraw/zinc/02/74/24/553027424.db2.gz	GJXAGFKDQBSFQO-UHFFFAOYSA-N	0	0	679.883	3.031	50	0		KGAARN
COc1ccc(-n2nnnc2C(=Cc2ccc(OC)c(OC)c2)c2nnnn2-c2ccc(OC)cc2)cc1	ZINC000008433101	553027985	/nfs/dbraw/zinc/02/79/85/553027985.db2.gz	VADZBSXBUWNFLT-UHFFFAOYSA-N	0	0	512.530	3.261	50	0		KGAARN
O=S(=O)(c1ccc2c(c1)Cc1cc(S(=O)(=O)N3CCN(c4ccccn4)CC3)ccc1-2)N1CCN(c2ccccn2)CC1	ZINC000008434759	553028816	/nfs/dbraw/zinc/02/88/16/553028816.db2.gz	AUQTVKHCRVOMOY-UHFFFAOYSA-N	0	0	616.769	3.070	50	0		KGAARN
C=CCn1c(=O)c(=C2C=Cc3cc(C)ccc3N2CC)sc1=C1C(=O)N(C)C(=S)N1c1ccccc1	ZINC000008434850	553029105	/nfs/dbraw/zinc/02/91/05/553029105.db2.gz	ODKPWKMNIUGUPC-UHFFFAOYSA-N	0	0	514.676	3.437	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC(C)=O)c(OC)c3)c(=O)n2[C@@H]1/C=C/c1ccccc1	ZINC000008435371	553030288	/nfs/dbraw/zinc/03/02/88/553030288.db2.gz	JGIJMKWXTPWDIY-PHAQFPLQSA-N	0	0	518.591	3.397	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC(C)=O)c(OC)c3)c(=O)n2[C@H]1/C=C/c1ccccc1	ZINC000008435372	553030230	/nfs/dbraw/zinc/03/02/30/553030230.db2.gz	JGIJMKWXTPWDIY-FZQQDZGDSA-N	0	0	518.591	3.397	50	0		KGAARN
COc1cccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(N5CCOCC5)o4)c(=O)n32)c1	ZINC000008436827	553030771	/nfs/dbraw/zinc/03/07/71/553030771.db2.gz	KDHTVIFROFPJEE-HCWVEKLQSA-N	0	0	556.644	3.312	50	0		KGAARN
COc1cccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(N5CCOCC5)o4)c(=O)n32)c1	ZINC000008436830	553030760	/nfs/dbraw/zinc/03/07/60/553030760.db2.gz	KDHTVIFROFPJEE-UXAZKMGBSA-N	0	0	556.644	3.312	50	0		KGAARN
Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NS(=O)(=O)c1cccc(S(=O)(=O)c2ccc(Br)cc2)c1	ZINC000008436834	553031117	/nfs/dbraw/zinc/03/11/17/553031117.db2.gz	XATHUJRULCLUBR-UHFFFAOYSA-N	0	0	615.549	3.412	50	0		KGAARN
O=C(COC(=O)c1ccc(S(=O)(=O)c2ccc(Br)cc2)cc1)c1cccc(S(=O)(=O)N2CCOCC2)c1	ZINC000008436846	553031067	/nfs/dbraw/zinc/03/10/67/553031067.db2.gz	CMWCALHBGICFJV-UHFFFAOYSA-N	0	0	608.488	3.343	50	0		KGAARN
Cn1c(SCC(=O)Nc2ccc3nc(SCC(=O)N4CCOCC4)sc3c2)nnc1-c1ccc(N)cc1	ZINC000008437067	553031222	/nfs/dbraw/zinc/03/12/22/553031222.db2.gz	GNMWLGSKHSAHAU-UHFFFAOYSA-N	0	0	555.711	3.356	50	0		KGAARN
CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccccc3O)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2	ZINC000008437840	553032148	/nfs/dbraw/zinc/03/21/48/553032148.db2.gz	QRPRSRRFBMQUQG-RJFKIUDMSA-N	0	0	526.570	3.370	50	0		KGAARN
CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccccc3O)c(=O)n2[C@H]1c1ccc2c(c1)OCO2	ZINC000008437842	553032169	/nfs/dbraw/zinc/03/21/69/553032169.db2.gz	QRPRSRRFBMQUQG-WPUHHHFCSA-N	0	0	526.570	3.370	50	0		KGAARN
CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccncc3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2	ZINC000008437861	553032211	/nfs/dbraw/zinc/03/22/11/553032211.db2.gz	NVNAIJREYDDYOT-WDONWYDGSA-N	0	0	511.559	3.059	50	0		KGAARN
CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(N4CCOCC4)o3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2	ZINC000008437873	553032139	/nfs/dbraw/zinc/03/21/39/553032139.db2.gz	AYXZZSKDDFAGGJ-TUPCFRFDSA-N	0	0	585.638	3.094	50	0		KGAARN
CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc(OC)c(O)c(OC)c3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2	ZINC000008437875	553032151	/nfs/dbraw/zinc/03/21/51/553032151.db2.gz	XCOGTEDZJXWNIR-RNECYNAXSA-N	0	0	586.622	3.387	50	0		KGAARN
CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc(OC)c(O)c(OC)c3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2	ZINC000008437876	553032186	/nfs/dbraw/zinc/03/21/86/553032186.db2.gz	XCOGTEDZJXWNIR-ASZHOJRSSA-N	0	0	586.622	3.387	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC(C)=O)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OCC)cc1	ZINC000008438340	553033900	/nfs/dbraw/zinc/03/39/00/553033900.db2.gz	MCGPKRZPCCBIJL-XSZPGNIMSA-N	0	0	536.606	3.131	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC(C)=O)c(OC)c3)c(=O)n2[C@H]1c1ccc(OCC)cc1	ZINC000008438342	553033877	/nfs/dbraw/zinc/03/38/77/553033877.db2.gz	MCGPKRZPCCBIJL-XXMKCSCWSA-N	0	0	536.606	3.131	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3OC)c(=O)n2[C@@H]1c1ccc(OC)c(OCC)c1	ZINC000008438639	553034755	/nfs/dbraw/zinc/03/47/55/553034755.db2.gz	GIZHPJGZTBDXJA-WLGHQHAYSA-N	0	0	508.596	3.214	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3OC)c(=O)n2[C@H]1c1ccc(OC)c(OCC)c1	ZINC000008438641	553034716	/nfs/dbraw/zinc/03/47/16/553034716.db2.gz	GIZHPJGZTBDXJA-NLZIUFDSSA-N	0	0	508.596	3.214	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)cc3)c(=O)n2[C@@H]1c1ccc(OC)c(OCC)c1	ZINC000008438657	553034975	/nfs/dbraw/zinc/03/49/75/553034975.db2.gz	JVAHSYRAGPYXLI-IGSWSUAKSA-N	0	0	508.596	3.214	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)cc3)c(=O)n2[C@H]1c1ccc(OC)c(OCC)c1	ZINC000008438659	553034980	/nfs/dbraw/zinc/03/49/80/553034980.db2.gz	JVAHSYRAGPYXLI-YMSBRDKKSA-N	0	0	508.596	3.214	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)cc3OC)c(=O)n2[C@@H]1c1ccc(OC)c(OCC)c1	ZINC000008438687	553034960	/nfs/dbraw/zinc/03/49/60/553034960.db2.gz	CSWOWSWSGKQXCN-CBYYHRJHSA-N	0	0	538.622	3.223	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)cc3OC)c(=O)n2[C@H]1c1ccc(OC)c(OCC)c1	ZINC000008438688	553034918	/nfs/dbraw/zinc/03/49/18/553034918.db2.gz	CSWOWSWSGKQXCN-PNZYDNNZSA-N	0	0	538.622	3.223	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)ccc3OC)c(=O)n2[C@@H]1c1ccc(OC)c(OCC)c1	ZINC000008438689	553034901	/nfs/dbraw/zinc/03/49/01/553034901.db2.gz	NWNWDWCEBWONKS-LWUPDDLQSA-N	0	0	538.622	3.223	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)ccc3OC)c(=O)n2[C@H]1c1ccc(OC)c(OCC)c1	ZINC000008438690	553034916	/nfs/dbraw/zinc/03/49/16/553034916.db2.gz	NWNWDWCEBWONKS-GJFKPFFXSA-N	0	0	538.622	3.223	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OC)c(OCC)c1	ZINC000008438692	553034945	/nfs/dbraw/zinc/03/49/45/553034945.db2.gz	CIESUSJKKUIXOI-CBYYHRJHSA-N	0	0	538.622	3.223	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)c(OC)c3)c(=O)n2[C@H]1c1ccc(OC)c(OCC)c1	ZINC000008438694	553034928	/nfs/dbraw/zinc/03/49/28/553034928.db2.gz	CIESUSJKKUIXOI-PNZYDNNZSA-N	0	0	538.622	3.223	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(OC)c3)c(=O)n2[C@@H]1c1ccc(OC)c(OCC)c1	ZINC000008438746	553035325	/nfs/dbraw/zinc/03/53/25/553035325.db2.gz	UGKSRLBHVIPHLE-MGSPXPDISA-N	0	0	508.596	3.214	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(OC)c3)c(=O)n2[C@H]1c1ccc(OC)c(OCC)c1	ZINC000008438748	553035317	/nfs/dbraw/zinc/03/53/17/553035317.db2.gz	UGKSRLBHVIPHLE-XPCGLTFESA-N	0	0	508.596	3.214	50	0		KGAARN
CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(N4CCOCC4)o3)c(=O)n2[C@@H]1c1cccc(OC)c1	ZINC000008439002	553035470	/nfs/dbraw/zinc/03/54/70/553035470.db2.gz	YGUMHMBRZBQAEE-XYOMFLGSSA-N	0	0	571.655	3.374	50	0		KGAARN
CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(N4CCOCC4)o3)c(=O)n2[C@H]1c1cccc(OC)c1	ZINC000008439007	553035400	/nfs/dbraw/zinc/03/54/00/553035400.db2.gz	YGUMHMBRZBQAEE-XJSUGRSLSA-N	0	0	571.655	3.374	50	0		KGAARN
COc1cc(/C=C2/SC(=O)N(CC(=O)N3CCOCC3)C2=O)ccc1OCC(=O)Nc1ccc(C)c(C)c1	ZINC000008439158	553035430	/nfs/dbraw/zinc/03/54/30/553035430.db2.gz	QJRRVOAVHRKXDU-OEAKJJBVSA-N	0	0	539.610	3.225	50	0		KGAARN
CC1=C[C@H]2N(C(=O)c3ccccc3)O[C@@H]1[C@@H]1[C@H](NC(=O)Cc3ccccc3)C(=O)N1N2C(=O)OCc1ccccc1	ZINC000008439370	553035716	/nfs/dbraw/zinc/03/57/16/553035716.db2.gz	SJEIVJZFRCXIQR-UNFRKHOWSA-N	0	0	552.587	3.221	50	0		KGAARN
CC1=C[C@@H]2N(C(=O)c3ccccc3)O[C@H]1[C@@H]1[C@H](NC(=O)Cc3ccccc3)C(=O)N1N2C(=O)OCc1ccccc1	ZINC000008439372	553035743	/nfs/dbraw/zinc/03/57/43/553035743.db2.gz	SJEIVJZFRCXIQR-LAJGZZDBSA-N	0	0	552.587	3.221	50	0		KGAARN
O=C(NCCSCc1ccccc1Cl)[C@@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1	ZINC000008440393	553037410	/nfs/dbraw/zinc/03/74/10/553037410.db2.gz	CULRZSJJEJFAOB-VWLOTQADSA-N	0	0	594.180	3.453	50	0		KGAARN
Cc1cc(C)cc(NC(=O)[C@@H]2CN(S(=O)(=O)c3ccccc3)CCN2S(=O)(=O)c2ccccc2)c1	ZINC000008440406	553037727	/nfs/dbraw/zinc/03/77/27/553037727.db2.gz	APRCMWVAYSJLAU-DEOSSOPVSA-N	0	0	513.641	3.006	50	0		KGAARN
Cc1ccc(Cl)cc1NC(=O)[C@@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1	ZINC000008440412	553037729	/nfs/dbraw/zinc/03/77/29/553037729.db2.gz	JCWIKOXCSQKIAE-QHCPKHFHSA-N	0	0	534.059	3.351	50	0		KGAARN
Cc1ccc(Cl)cc1NC(=O)[C@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1	ZINC000008440413	553037711	/nfs/dbraw/zinc/03/77/11/553037711.db2.gz	JCWIKOXCSQKIAE-HSZRJFAPSA-N	0	0	534.059	3.351	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C/c3c[nH]c4ccccc34)c(=O)n2[C@@H]1c1cc(OC)ccc1OC	ZINC000008440622	553038249	/nfs/dbraw/zinc/03/82/49/553038249.db2.gz	RMPQUWUWCKBLBD-SEXPAEGTSA-N	0	0	503.580	3.297	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C/c3c[nH]c4ccccc34)c(=O)n2[C@H]1c1cc(OC)ccc1OC	ZINC000008440623	553038228	/nfs/dbraw/zinc/03/82/28/553038228.db2.gz	RMPQUWUWCKBLBD-XOBACGFXSA-N	0	0	503.580	3.297	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2sc(=Cc3c[nH]nc3-c3ccccc3)c(=O)n2[C@@H]1c1ccc(OC)cc1	ZINC000008441487	553040928	/nfs/dbraw/zinc/04/09/28/553040928.db2.gz	SEWLAXZPYWQOBL-JRXNCPAPSA-N	0	0	500.580	3.197	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2sc(=Cc3c[nH]nc3-c3ccccc3)c(=O)n2[C@H]1c1ccc(OC)cc1	ZINC000008441489	553040980	/nfs/dbraw/zinc/04/09/80/553040980.db2.gz	SEWLAXZPYWQOBL-ZBXXMNEPSA-N	0	0	500.580	3.197	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Br)cc3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2	ZINC000008443161	553045586	/nfs/dbraw/zinc/04/55/86/553045586.db2.gz	VZUIUXXPUZBZDC-IDQDRXHYSA-N	0	0	527.396	3.290	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Br)cc3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2	ZINC000008443162	553045596	/nfs/dbraw/zinc/04/55/96/553045596.db2.gz	VZUIUXXPUZBZDC-KEBMYNNESA-N	0	0	527.396	3.290	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)ccc3OC)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2	ZINC000008443342	553046026	/nfs/dbraw/zinc/04/60/26/553046026.db2.gz	MXWDJRFEYLMJCL-JGZDWKDESA-N	0	0	557.422	3.298	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)ccc3OC)c(=O)n2[C@H]1c1ccc2c(c1)OCO2	ZINC000008443343	553046070	/nfs/dbraw/zinc/04/60/70/553046070.db2.gz	MXWDJRFEYLMJCL-WYWXSHKMSA-N	0	0	557.422	3.298	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(I)cc3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2	ZINC000008443359	553046308	/nfs/dbraw/zinc/04/63/08/553046308.db2.gz	GQFQLKVNXCMYFV-IDQDRXHYSA-N	0	0	574.396	3.132	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(I)cc3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2	ZINC000008443360	553046310	/nfs/dbraw/zinc/04/63/10/553046310.db2.gz	GQFQLKVNXCMYFV-KEBMYNNESA-N	0	0	574.396	3.132	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(O)c(OCC)c3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2	ZINC000008443644	553047507	/nfs/dbraw/zinc/04/75/07/553047507.db2.gz	ZGOZXYGLUYDAGO-IOKRJLGCSA-N	0	0	634.448	3.236	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(O)c(OCC)c3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2	ZINC000008443646	553047509	/nfs/dbraw/zinc/04/75/09/553047509.db2.gz	ZGOZXYGLUYDAGO-BJJGPXNVSA-N	0	0	634.448	3.236	50	0		KGAARN
CCOc1cc(CNn2c(C)nnc2SCC(=O)NC(C)(C)C)ccc1OCC(=O)NC(C)(C)C	ZINC000008443825	553048061	/nfs/dbraw/zinc/04/80/61/553048061.db2.gz	JQBSYSZTSWWUNE-UHFFFAOYSA-N	0	0	506.673	3.029	50	0		KGAARN
O=C(CCSCCC(=O)N1CCN(c2ccc(F)cc2)CC1)N1CCN(c2ccc(F)cc2)CC1	ZINC000008444053	553049035	/nfs/dbraw/zinc/04/90/35/553049035.db2.gz	AHMCANFPYAQCFT-UHFFFAOYSA-N	0	0	502.631	3.476	50	0		KGAARN
CCOC(=O)c1cn(NC(=O)c2cn(CC)c3cc(N4CCOCC4)c(F)cc3c2=O)c2c(F)c(F)c(F)c(F)c2c1=O	ZINC000008445160	553053433	/nfs/dbraw/zinc/05/34/33/553053433.db2.gz	WIMVYMZHAWGOTQ-UHFFFAOYSA-N	0	0	606.504	3.429	50	0		KGAARN
O=C(CSc1nc2ccc(Nc3nc(N4CCOCC4)nc(N4CCOCC4)n3)cc2s1)NCCOc1ccccc1	ZINC000008445202	553053660	/nfs/dbraw/zinc/05/36/60/553053660.db2.gz	ADMDTYONSSKIIE-UHFFFAOYSA-N	0	0	608.750	3.185	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCOCC4)o3)c(=O)n2[C@@H]1c1cc(OC)c(OC)cc1Br	ZINC000008445321	553053845	/nfs/dbraw/zinc/05/38/45/553053845.db2.gz	XPPIPUBTYDZEFN-FAUWUSJQSA-N	0	0	618.506	3.008	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCOCC4)o3)c(=O)n2[C@H]1c1cc(OC)c(OC)cc1Br	ZINC000008445322	553053871	/nfs/dbraw/zinc/05/38/71/553053871.db2.gz	XPPIPUBTYDZEFN-YXFINDDBSA-N	0	0	618.506	3.008	50	0		KGAARN
CCOC(=O)[C@](O)(c1ccc(N[C@](NC(=O)CC)(C(=O)OCC)C(F)(F)F)c(C)c1)C(F)(F)F	ZINC000008445365	553054137	/nfs/dbraw/zinc/05/41/37/553054137.db2.gz	QHNZCELRHLSFSG-MSOLQXFVSA-N	0	0	502.408	3.068	50	0		KGAARN
CCOC(=O)[C@](O)(c1ccc(N[C@@](NC(=O)CC)(C(=O)OCC)C(F)(F)F)c(C)c1)C(F)(F)F	ZINC000008445366	553054188	/nfs/dbraw/zinc/05/41/88/553054188.db2.gz	QHNZCELRHLSFSG-QZTJIDSGSA-N	0	0	502.408	3.068	50	0		KGAARN
CCOC(=O)[C@@](O)(c1ccc(N[C@](NC(=O)CC)(C(=O)OCC)C(F)(F)F)c(C)c1)C(F)(F)F	ZINC000008445367	553054256	/nfs/dbraw/zinc/05/42/56/553054256.db2.gz	QHNZCELRHLSFSG-ROUUACIJSA-N	0	0	502.408	3.068	50	0		KGAARN
CCOC(=O)[C@](NC(=O)CC)(Nc1ccc([C@](O)(C(=O)OCC)C(F)(F)F)cc1C)C(F)(F)F	ZINC000008445368	553054276	/nfs/dbraw/zinc/05/42/76/553054276.db2.gz	QHNZCELRHLSFSG-ZWKOTPCHSA-N	0	0	502.408	3.068	50	0		KGAARN
CCOC(=O)C1=c2s/c(=C/c3cccc(Br)c3)c(=O)n2C(N)=C(C(=O)OCC)[C@@H]1c1cccc(Br)c1	ZINC000008448488	553055993	/nfs/dbraw/zinc/05/59/93/553055993.db2.gz	HVWOQJUNPCAJIV-GQEMFKIVSA-N	0	0	634.346	3.465	50	0		KGAARN
CCOC(=O)C1=c2s/c(=C/c3cccc(Br)c3)c(=O)n2C(N)=C(C(=O)OCC)[C@H]1c1cccc(Br)c1	ZINC000008448490	553056025	/nfs/dbraw/zinc/05/60/25/553056025.db2.gz	HVWOQJUNPCAJIV-TVNWYLLRSA-N	0	0	634.346	3.465	50	0		KGAARN
CCOC(=O)C1=C(N)n2c(=O)/c(=C/c3ccc(Br)cc3)sc2=C(C(=O)OC)[C@@H]1c1ccc(Br)cc1	ZINC000008448521	553055990	/nfs/dbraw/zinc/05/59/90/553055990.db2.gz	OMJFGQKPJUAMNP-XUDLPTGHSA-N	0	0	620.319	3.075	50	0		KGAARN
CCOC(=O)C1=C(N)n2c(=O)/c(=C/c3ccc(Br)cc3)sc2=C(C(=O)OC)[C@H]1c1ccc(Br)cc1	ZINC000008448522	553056293	/nfs/dbraw/zinc/05/62/93/553056293.db2.gz	OMJFGQKPJUAMNP-FSEPTYSPSA-N	0	0	620.319	3.075	50	0		KGAARN
CCOC(=O)C1=C(N)n2c(=O)/c(=C/c3cccc(Br)c3)sc2=C(C(=O)OC)[C@@H]1c1cccc(Br)c1	ZINC000008448524	553056248	/nfs/dbraw/zinc/05/62/48/553056248.db2.gz	QDLRWCFGCWRDPZ-UWKDKTGGSA-N	0	0	620.319	3.075	50	0		KGAARN
CCOC(=O)C1=C(N)n2c(=O)/c(=C/c3cccc(Br)c3)sc2=C(C(=O)OC)[C@H]1c1cccc(Br)c1	ZINC000008448525	553056297	/nfs/dbraw/zinc/05/62/97/553056297.db2.gz	QDLRWCFGCWRDPZ-PNDHZVEESA-N	0	0	620.319	3.075	50	0		KGAARN
O=C(COC(=O)[C@@H](CCCCN1C(=O)[C@@H]2[C@@H]3CC[C@@H](C3)[C@@H]2C1=O)N1C(=O)[C@@H]2[C@@H]3CC[C@@H](C3)[C@@H]2C1=O)c1ccccc1	ZINC000008449421	553057293	/nfs/dbraw/zinc/05/72/93/553057293.db2.gz	YYEFGQNTJCSVBT-OBZQNDBCSA-N	0	0	560.647	3.014	50	0		KGAARN
O=C(COC(=O)[C@H](CCCCN1C(=O)[C@@H]2[C@@H]3CC[C@@H](C3)[C@@H]2C1=O)N1C(=O)[C@@H]2[C@@H]3CC[C@@H](C3)[C@@H]2C1=O)c1ccccc1	ZINC000008449423	553057300	/nfs/dbraw/zinc/05/73/00/553057300.db2.gz	YYEFGQNTJCSVBT-URIWNUIQSA-N	0	0	560.647	3.014	50	0		KGAARN
O=C(COC(=O)[C@@H](CCCCN1C(=O)[C@H]2[C@@H]3CC[C@@H](C3)[C@@H]2C1=O)N1C(=O)[C@@H]2[C@@H]3CC[C@@H](C3)[C@@H]2C1=O)c1ccccc1	ZINC000008449424	553057353	/nfs/dbraw/zinc/05/73/53/553057353.db2.gz	YYEFGQNTJCSVBT-TVEQZPILSA-N	0	0	560.647	3.014	50	0		KGAARN
O=C(COC(=O)[C@H](CCCCN1C(=O)[C@H]2[C@@H]3CC[C@@H](C3)[C@@H]2C1=O)N1C(=O)[C@@H]2[C@@H]3CC[C@@H](C3)[C@@H]2C1=O)c1ccccc1	ZINC000008449431	553057315	/nfs/dbraw/zinc/05/73/15/553057315.db2.gz	YYEFGQNTJCSVBT-DHGRSWDVSA-N	0	0	560.647	3.014	50	0		KGAARN
Cc1cc(C)c(S(=O)(=O)N2CCOCC2)cc1NS(=O)(=O)c1cccc(C(=O)Nc2ccccc2)c1	ZINC000008450013	553057764	/nfs/dbraw/zinc/05/77/64/553057764.db2.gz	UNMOGFONSMJYIB-UHFFFAOYSA-N	0	0	529.640	3.377	50	0		KGAARN
COc1ccc(C(=O)Nc2nnc(COc3ccc(Cl)cc3)s2)cc1S(=O)(=O)N1CCOCC1	ZINC000008450017	553057782	/nfs/dbraw/zinc/05/77/82/553057782.db2.gz	VCXLWWYDSFMOAJ-UHFFFAOYSA-N	0	0	525.008	3.052	50	0		KGAARN
Cc1ccc(C(=O)N2CCN(C(=O)c3ccc(C)c(S(=O)(=O)N4CCCCC4)c3)CC2)cc1S(=O)(=O)N1CCCCC1	ZINC000008450132	553057918	/nfs/dbraw/zinc/05/79/18/553057918.db2.gz	XKJIRCMUYHRKSI-UHFFFAOYSA-N	0	0	616.806	3.251	50	0		KGAARN
CC(=O)Nc1ccc(S(=O)(=O)Oc2ccc(OS(=O)(=O)c3ccc(NC(C)=O)cc3)cc2)cc1	ZINC000008450244	553057953	/nfs/dbraw/zinc/05/79/53/553057953.db2.gz	JPTHUAKCCNOSEJ-UHFFFAOYSA-N	0	0	504.542	3.139	50	0		KGAARN
C=CCOc1ccc([C@@H]2C(C(=O)OCC)=C(C)N=c3sc(=Cc4ccccn4)c(=O)n32)cc1OCC	ZINC000008451337	553060779	/nfs/dbraw/zinc/06/07/79/553060779.db2.gz	XKMPZCWXQZSHEM-XMMPIXPASA-N	0	0	505.596	3.157	50	0		KGAARN
C=CCOc1ccc([C@H]2C(C(=O)OCC)=C(C)N=c3sc(=Cc4ccccn4)c(=O)n32)cc1OCC	ZINC000008451338	553060812	/nfs/dbraw/zinc/06/08/12/553060812.db2.gz	XKMPZCWXQZSHEM-DEOSSOPVSA-N	0	0	505.596	3.157	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCOCC4)o3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc21	ZINC000008451494	553061265	/nfs/dbraw/zinc/06/12/65/553061265.db2.gz	RXSZDBYLTFHLIR-YSFSTTGISA-N	0	0	559.644	3.390	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCOCC4)o3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc21	ZINC000008451497	553061295	/nfs/dbraw/zinc/06/12/95/553061295.db2.gz	RXSZDBYLTFHLIR-NWJPQEHXSA-N	0	0	559.644	3.390	50	0		KGAARN
CCOc1cc(/C=C2/NC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)cc(I)c1O	ZINC000008451804	553062223	/nfs/dbraw/zinc/06/22/23/553062223.db2.gz	LPGWZPASQKAXAZ-CXUHLZMHSA-N	0	0	521.311	3.235	50	0		KGAARN
COc1cc(/C=C2/NC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)cc(I)c1OC	ZINC000008451824	553062217	/nfs/dbraw/zinc/06/22/17/553062217.db2.gz	ZBHBZUCXOKTPCL-CXUHLZMHSA-N	0	0	521.311	3.148	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OCC(N)=O)c(OCC)c3)c(=O)n2[C@H]1c1ccc(C)c(OC)c1	ZINC000008452194	553063081	/nfs/dbraw/zinc/06/30/81/553063081.db2.gz	XYXBGMZEQPXFAC-KGONEIDKSA-N	0	0	644.544	3.141	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OCC(N)=O)c(OCC)c3)c(=O)n2[C@@H]1c1ccc(C)c(OC)c1	ZINC000008452195	553063093	/nfs/dbraw/zinc/06/30/93/553063093.db2.gz	XYXBGMZEQPXFAC-LWRBDHNKSA-N	0	0	644.544	3.141	50	0		KGAARN
COc1cc(C(=O)NCCCCCCNC(=O)c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC	ZINC000008452216	553063127	/nfs/dbraw/zinc/06/31/27/553063127.db2.gz	FFQXZMCCVGEWPC-UHFFFAOYSA-N	0	0	504.580	3.458	50	0		KGAARN
CCCOc1c(OC)cccc1[C@@H]1C(C(=O)OCC)=C(C)N=c2s/c(=C/c3ccc(OCC(N)=O)c(Br)c3)c(=O)n21	ZINC000008452454	553063756	/nfs/dbraw/zinc/06/37/56/553063756.db2.gz	FVNKXMNOINQDRZ-BLJGQIRFSA-N	0	0	644.544	3.222	50	0		KGAARN
CCCOc1c(OC)cccc1[C@H]1C(C(=O)OCC)=C(C)N=c2s/c(=C/c3ccc(OCC(N)=O)c(Br)c3)c(=O)n21	ZINC000008452455	553063784	/nfs/dbraw/zinc/06/37/84/553063784.db2.gz	FVNKXMNOINQDRZ-MLJBDGAYSA-N	0	0	644.544	3.222	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(C[C@@H]4CCCO4)c3C)c(=O)n2[C@@H]1c1cccc(OC)c1OC	ZINC000008452832	553064867	/nfs/dbraw/zinc/06/48/67/553064867.db2.gz	QCBFVGHLKIMOLI-NAKOXYSUSA-N	0	0	565.692	3.413	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(C[C@@H]4CCCO4)c3C)c(=O)n2[C@H]1c1cccc(OC)c1OC	ZINC000008452834	553064916	/nfs/dbraw/zinc/06/49/16/553064916.db2.gz	QCBFVGHLKIMOLI-GSTODIIQSA-N	0	0	565.692	3.413	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(C[C@H]4CCCO4)c3C)c(=O)n2[C@H]1c1cccc(OC)c1OC	ZINC000008452836	553064886	/nfs/dbraw/zinc/06/48/86/553064886.db2.gz	QCBFVGHLKIMOLI-QEWBETJCSA-N	0	0	565.692	3.413	50	0		KGAARN
COC(=O)C1=C(C(=O)OC)SC2(C=C(c3ccc(OC)cc3)SC(C(=O)OC)=C2C(=O)OC)S1	ZINC000008452915	553065288	/nfs/dbraw/zinc/06/52/88/553065288.db2.gz	OROROXADGDHSAS-UHFFFAOYSA-N	0	0	524.594	3.117	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccnc3)c(=O)n2[C@@H]1c1c(OC)ccc2ccc(OC)cc21	ZINC000008453542	553066264	/nfs/dbraw/zinc/06/62/64/553066264.db2.gz	HEFGBKPDJXJDOP-QDNAUZDWSA-N	0	0	515.591	3.364	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccnc3)c(=O)n2[C@H]1c1c(OC)ccc2ccc(OC)cc21	ZINC000008453544	553066554	/nfs/dbraw/zinc/06/65/54/553066554.db2.gz	HEFGBKPDJXJDOP-AOLPSBPOSA-N	0	0	515.591	3.364	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc4c(c3)OCO4)c(=O)n2[C@@H]1c1ccccc1OC(C)C	ZINC000008454171	553067842	/nfs/dbraw/zinc/06/78/42/553067842.db2.gz	DIDQZBJESPREBO-LYRGBEMXSA-N	0	0	506.580	3.314	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc4c(c3)OCO4)c(=O)n2[C@H]1c1ccccc1OC(C)C	ZINC000008454172	553067778	/nfs/dbraw/zinc/06/77/78/553067778.db2.gz	DIDQZBJESPREBO-JGTYQCAFSA-N	0	0	506.580	3.314	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCOCC4)o3)c(=O)n2[C@@H]1c1ccccc1OC(C)C	ZINC000008454180	553067799	/nfs/dbraw/zinc/06/77/99/553067799.db2.gz	MUSVFDFXDDAYOK-UQTDQPHJSA-N	0	0	537.638	3.015	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCOCC4)o3)c(=O)n2[C@H]1c1ccccc1OC(C)C	ZINC000008454181	553067824	/nfs/dbraw/zinc/06/78/24/553067824.db2.gz	MUSVFDFXDDAYOK-YHHBSCGTSA-N	0	0	537.638	3.015	50	0		KGAARN
O=C(Nc1ccccc1C(F)(F)F)[C@@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1	ZINC000008454202	553068064	/nfs/dbraw/zinc/06/80/64/553068064.db2.gz	TYQWVMDPEUXFLY-QFIPXVFZSA-N	0	0	553.584	3.408	50	0		KGAARN
COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)c2cc(Cl)ccc2OC)cc1OC	ZINC000008454216	553068075	/nfs/dbraw/zinc/06/80/75/553068075.db2.gz	CWDOAFPKRGPGEH-UHFFFAOYSA-N	0	0	640.136	3.221	50	0		KGAARN
COc1ccc([C@@H]2C(C(=O)Nc3ccccc3C)=C(C)N=c3s/c(=C/c4cn(C)nc4C)c(=O)n32)cc1	ZINC000008454857	553069962	/nfs/dbraw/zinc/06/99/62/553069962.db2.gz	ZCTZCNVCMYKCLY-AQIZGWBQSA-N	0	0	513.623	3.233	50	0		KGAARN
COc1ccc([C@H]2C(C(=O)Nc3ccccc3C)=C(C)N=c3s/c(=C/c4cn(C)nc4C)c(=O)n32)cc1	ZINC000008454858	553069977	/nfs/dbraw/zinc/06/99/77/553069977.db2.gz	ZCTZCNVCMYKCLY-ZDGAQAAHSA-N	0	0	513.623	3.233	50	0		KGAARN
COc1ccc([C@@H]2C(C(=O)Nc3ccccc3C)=C(C)N=c3s/c(=C/c4cnn(C)c4C)c(=O)n32)cc1	ZINC000008455161	553071613	/nfs/dbraw/zinc/07/16/13/553071613.db2.gz	XDLPWPGHEXPZHD-AQIZGWBQSA-N	0	0	513.623	3.233	50	0		KGAARN
COc1ccc([C@H]2C(C(=O)Nc3ccccc3C)=C(C)N=c3s/c(=C/c4cnn(C)c4C)c(=O)n32)cc1	ZINC000008455162	553071583	/nfs/dbraw/zinc/07/15/83/553071583.db2.gz	XDLPWPGHEXPZHD-ZDGAQAAHSA-N	0	0	513.623	3.233	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(I)cc3)c(=O)n2[C@@H]1c1ccc(OC)cc1	ZINC000008456294	553074447	/nfs/dbraw/zinc/07/44/47/553074447.db2.gz	AGJCGPSSIDEYTI-CNSVBDKNSA-N	0	0	560.413	3.412	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(I)cc3)c(=O)n2[C@H]1c1ccc(OC)cc1	ZINC000008456295	553074422	/nfs/dbraw/zinc/07/44/22/553074422.db2.gz	AGJCGPSSIDEYTI-FNGUVFISSA-N	0	0	560.413	3.412	50	0		KGAARN
CCCCCn1nc(C(=O)NN=Cc2ccc(-c3ccc(S(N)(=O)=O)cc3)o2)c2ccccc2c1=O	ZINC000008567975	1059669390	/nfs/dbraw/zinc/66/93/90/1059669390.db2.gz	ADFHCZBKNJULQH-UHFFFAOYSA-N	0	0	507.572	3.258	50	0		KGAARN
CCOc1ccc(CCNC(=O)c2cc(=O)[nH]c3ccc(S(=O)(=O)N4CCCCC4)cc32)cc1OCC	ZINC000008583395	553079308	/nfs/dbraw/zinc/07/93/08/553079308.db2.gz	BHFCMOROSQCUOU-UHFFFAOYSA-N	0	0	527.643	3.473	50	0		KGAARN
CCCCOc1ccc([C@@H](C)NC(=O)CN2C(=O)CSc3ccc(S(=O)(=O)N4CCOCC4)cc32)cc1	ZINC000008583399	553079325	/nfs/dbraw/zinc/07/93/25/553079325.db2.gz	LVLFTDZPKJQTEF-LJQANCHMSA-N	0	0	547.699	3.203	50	0		KGAARN
CCCCOc1ccc([C@H](C)NC(=O)CN2C(=O)CSc3ccc(S(=O)(=O)N4CCOCC4)cc32)cc1	ZINC000008583400	553079495	/nfs/dbraw/zinc/07/94/95/553079495.db2.gz	LVLFTDZPKJQTEF-IBGZPJMESA-N	0	0	547.699	3.203	50	0		KGAARN
O=C(CN1C(=O)CSc2ccc(S(=O)(=O)N3CCCCC3)cc21)NCc1ccc(F)cc1Cl	ZINC000008583429	553079485	/nfs/dbraw/zinc/07/94/85/553079485.db2.gz	JHMSKPUSGUBNER-UHFFFAOYSA-N	0	0	512.028	3.409	50	0		KGAARN
COc1ccc(CCNC(=O)c2cc(=O)[nH]c3ccc(S(=O)(=O)N4CCCC[C@H]4C)cc32)cc1OC	ZINC000008583431	553079518	/nfs/dbraw/zinc/07/95/18/553079518.db2.gz	RZAKOCNRDIQCDD-QGZVFWFLSA-N	0	0	513.616	3.081	50	0		KGAARN
COc1ccc(CCNC(=O)c2cc(=O)[nH]c3ccc(S(=O)(=O)N4CCCC[C@@H]4C)cc32)cc1OC	ZINC000008583432	553079529	/nfs/dbraw/zinc/07/95/29/553079529.db2.gz	RZAKOCNRDIQCDD-KRWDZBQOSA-N	0	0	513.616	3.081	50	0		KGAARN
Cc1ccc(NC(=O)CSc2ccc3nnc(CCNS(=O)(=O)c4ccccc4)n3n2)cc1Cl	ZINC000008589360	553080934	/nfs/dbraw/zinc/08/09/34/553080934.db2.gz	IWJXCAZKXDMFTH-UHFFFAOYSA-N	0	0	517.036	3.338	50	0		KGAARN
COc1ccc(Cl)cc1NC(=O)CSc1ccc2nnc(CCNS(=O)(=O)c3ccccc3)n2n1	ZINC000008589361	553081022	/nfs/dbraw/zinc/08/10/22/553081022.db2.gz	CDDMTFBNQQXIKR-UHFFFAOYSA-N	0	0	533.035	3.038	50	0		KGAARN
O=C(CSc1ccc2nnc(CCNS(=O)(=O)c3ccccc3)n2n1)Nc1ccccc1C(F)(F)F	ZINC000008589374	553081008	/nfs/dbraw/zinc/08/10/08/553081008.db2.gz	ZBZGGNLFAADGCK-UHFFFAOYSA-N	0	0	536.561	3.395	50	0		KGAARN
COc1ccc(S(=O)(=O)NCCc2nnc3ccc(SCC(=O)Nc4cc(C)cc(C)c4)nn32)cc1	ZINC000008589468	553081257	/nfs/dbraw/zinc/08/12/57/553081257.db2.gz	UZUASGNSLKYLQG-UHFFFAOYSA-N	0	0	526.644	3.002	50	0		KGAARN
COc1ccc(S(=O)(=O)NCCc2nnc3ccc(SCC(=O)Nc4ccc(C(F)(F)F)cc4)nn32)cc1	ZINC000008589472	553081236	/nfs/dbraw/zinc/08/12/36/553081236.db2.gz	LMBLPMFFYFFTEA-UHFFFAOYSA-N	0	0	566.587	3.404	50	0		KGAARN
CCN1CCN(c2nc3c(S(=O)(=O)c4ccc(Br)cc4)nnn3c3ccsc32)CC1	ZINC000008589525	553081225	/nfs/dbraw/zinc/08/12/25/553081225.db2.gz	PRKMIOPBYBDIEI-UHFFFAOYSA-N	0	0	507.439	3.076	50	0		KGAARN
Cc1ccc(-c2nnc(Nc3ccc(S(N)(=O)=O)cc3)c3ccccc32)cc1S(=O)(=O)N1CCOCC1	ZINC000008589875	553081508	/nfs/dbraw/zinc/08/15/08/553081508.db2.gz	QZLIDEBYPOWTHS-UHFFFAOYSA-N	0	0	539.639	3.017	50	0		KGAARN
CCOc1ccc(-c2cc(C(=O)N3CCN(S(=O)(=O)c4cc(Cl)ccc4OC)CC3)[nH]n2)cc1	ZINC000008590336	553081763	/nfs/dbraw/zinc/08/17/63/553081763.db2.gz	IARRWTLAJZYRBZ-UHFFFAOYSA-N	0	0	504.996	3.284	50	0		KGAARN
COc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc(-c4ccc(Br)cc4)n[nH]3)CC2)cc1OC	ZINC000008590341	553081804	/nfs/dbraw/zinc/08/18/04/553081804.db2.gz	RXXUHNKUUKIHHZ-UHFFFAOYSA-N	0	0	535.420	3.003	50	0		KGAARN
COc1ccc(OC)c(NC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)C[C@H](C)N4C(C)=O)CC2)c1	ZINC000008590839	553082006	/nfs/dbraw/zinc/08/20/06/553082006.db2.gz	ZBEGKHKATHNSPY-INIZCTEOSA-N	0	0	501.605	3.041	50	0		KGAARN
Cc1sc2ncn(CC(=O)N3CCN(c4cc(Cl)ccc4C)CC3)c(=O)c2c1S(=O)(=O)N1CCC(C)CC1	ZINC000008591293	553082194	/nfs/dbraw/zinc/08/21/94/553082194.db2.gz	DJQHSZLCNLOLBM-UHFFFAOYSA-N	0	0	578.160	3.498	50	0		KGAARN
CCOc1ccc(NC(=O)Cn2cnc3sc(C)c(S(=O)(=O)N4CCN(c5ccccc5OC)CC4)c3c2=O)cc1	ZINC000008591324	553082241	/nfs/dbraw/zinc/08/22/41/553082241.db2.gz	ITBLNLHWLFCNJC-UHFFFAOYSA-N	0	0	597.719	3.323	50	0		KGAARN
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C[C@@H]2CCCO2)c1=NC(=O)c1ccc(OCC)cc1	ZINC000008591481	1059669350	/nfs/dbraw/zinc/66/93/50/1059669350.db2.gz	TUUVAJPXSXBTQO-FQEVSTJZSA-N	0	0	516.554	3.145	50	0		KGAARN
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C[C@H]2CCCO2)c1=NC(=O)c1cc(C)cc(C)c1	ZINC000008591510	1059669412	/nfs/dbraw/zinc/66/94/12/1059669412.db2.gz	QGHUYHGOZVVEIF-HXUWFJFHSA-N	0	0	500.555	3.363	50	0		KGAARN
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C[C@@H]2CCCO2)c1=NC(=O)c1ccccc1OCC	ZINC000008591512	1059669554	/nfs/dbraw/zinc/66/95/54/1059669554.db2.gz	HJXIYQXIWYBSBY-SFHVURJKSA-N	0	0	516.554	3.145	50	0		KGAARN
CCOC(=O)N1CCc2c(sc3c2c(=O)n(-c2ccccc2)c(=O)n3CC(=O)Nc2ccc(OC)cc2OC)C1	ZINC000008592191	553083565	/nfs/dbraw/zinc/08/35/65/553083565.db2.gz	SLYNXVCNPNRRDR-UHFFFAOYSA-N	0	0	564.620	3.384	50	0		KGAARN
COC(=O)C1=C(c2ccccc2)c2ccccc2S(=O)(=O)N1CC(=O)Nc1ccc(OC)cc1OC	ZINC000008592324	553083723	/nfs/dbraw/zinc/08/37/23/553083723.db2.gz	DAYBJDSHHHVHGK-UHFFFAOYSA-N	0	0	508.552	3.279	50	0		KGAARN
O=C(CSc1ncc(S(=O)(=O)c2ccc(Br)cc2)c(=O)[nH]1)NCc1ccccc1Cl	ZINC000008592409	553084051	/nfs/dbraw/zinc/08/40/51/553084051.db2.gz	UIQFIGQECANKDE-UHFFFAOYSA-N	0	0	528.837	3.427	50	0		KGAARN
CCOC(=O)c1ccc(NC(=O)Cn2nc(SC)c(S(=O)(=O)c3ccc(Cl)cc3)c2N)cc1	ZINC000008592415	553084043	/nfs/dbraw/zinc/08/40/43/553084043.db2.gz	GEJGKIADVLWLJJ-UHFFFAOYSA-N	0	0	509.009	3.489	50	0		KGAARN
CCOc1ccc(NC(=O)Cn2c3ccsc3c(=O)n(CC(=O)NCc3ccccc3Cl)c2=O)cc1	ZINC000008592949	553084474	/nfs/dbraw/zinc/08/44/74/553084474.db2.gz	POEWABSMDLQFAJ-UHFFFAOYSA-N	0	0	527.002	3.232	50	0		KGAARN
CCOc1ccccc1NC(=O)Cn1c2ccsc2c(=O)n(CC(=O)NCc2ccccc2Cl)c1=O	ZINC000008592955	553084738	/nfs/dbraw/zinc/08/47/38/553084738.db2.gz	WFVLYWHVAKGOLC-UHFFFAOYSA-N	0	0	527.002	3.232	50	0		KGAARN
Cc1ccc(Cl)cc1NC(=O)Cn1c2ccsc2c(=O)n(CCC(=O)NCc2ccc3c(c2)OCO3)c1=O	ZINC000008593106	553084911	/nfs/dbraw/zinc/08/49/11/553084911.db2.gz	XOBTTXVMEDVVDR-UHFFFAOYSA-N	0	0	555.012	3.260	50	0		KGAARN
COc1cccc(-n2c(=O)c3c(C)c(C)sc3n(CC(=O)NCCc3ccc(OC)c(OC)c3)c2=O)c1	ZINC000008593125	553084894	/nfs/dbraw/zinc/08/48/94/553084894.db2.gz	QJGQCLGKCNMLEP-UHFFFAOYSA-N	0	0	523.611	3.215	50	0		KGAARN
CCCN(CCC)C(=O)Cn1c2ccsc2c(=O)n(CCCCCC(=O)NCc2ccc3c(c2)OCO3)c1=O	ZINC000008593186	553084889	/nfs/dbraw/zinc/08/48/89/553084889.db2.gz	FGFVVQNEUIIWIE-UHFFFAOYSA-N	0	0	556.685	3.479	50	0		KGAARN
Cc1ccc(NC(=O)Cn2c3cc4c(cc3c(=O)n(Cc3nc(-c5ccccc5)no3)c2=O)OCO4)cc1F	ZINC000008593209	553085200	/nfs/dbraw/zinc/08/52/00/553085200.db2.gz	RHTSULCJRWPMAQ-UHFFFAOYSA-N	0	0	529.484	3.076	50	0		KGAARN
Cc1ccc(NC(=O)Cn2c3cc4c(cc3c(=O)n(Cc3nc(-c5ccccc5)no3)c2=O)OCO4)c(C)c1	ZINC000008593216	553085238	/nfs/dbraw/zinc/08/52/38/553085238.db2.gz	CUIJJHXPBASDOT-UHFFFAOYSA-N	0	0	525.521	3.246	50	0		KGAARN
CCOc1ccc(NC(=O)Cn2c3cc4c(cc3c(=O)n(Cc3nc(-c5ccccc5)no3)c2=O)OCO4)cc1	ZINC000008593223	553085190	/nfs/dbraw/zinc/08/51/90/553085190.db2.gz	QRWIWPBHFMCHFL-UHFFFAOYSA-N	0	0	541.520	3.028	50	0		KGAARN
CCc1ccc(NC(=O)Cn2c3cc4c(cc3c(=O)n(Cc3nc(-c5ccccc5)no3)c2=O)OCO4)cc1	ZINC000008593228	553085160	/nfs/dbraw/zinc/08/51/60/553085160.db2.gz	CDDLJOTYYUFOCZ-UHFFFAOYSA-N	0	0	525.521	3.191	50	0		KGAARN
Cc1ccc(NC(=O)Cn2c3cc4c(cc3c(=O)n(Cc3nc(-c5ccccc5)no3)c2=O)OCO4)cc1C	ZINC000008593234	553085179	/nfs/dbraw/zinc/08/51/79/553085179.db2.gz	COZVYYIEEYESFX-UHFFFAOYSA-N	0	0	525.521	3.246	50	0		KGAARN
CC(C)(C)C(=O)Cn1c2ccsc2c(=O)n(CCCCCC(=O)NCc2ccc3c(c2)OCO3)c1=O	ZINC000008593244	553085176	/nfs/dbraw/zinc/08/51/76/553085176.db2.gz	GQFAZVODAQPZDB-UHFFFAOYSA-N	0	0	513.616	3.445	50	0		KGAARN
COc1ccc(CCNC(=O)Cn2c(=O)c3sccc3n(CC(=O)Nc3cccc(C(F)(F)F)c3)c2=O)cc1OC	ZINC000008593272	553085152	/nfs/dbraw/zinc/08/51/52/553085152.db2.gz	RLRFXVPSHTYJKV-UHFFFAOYSA-N	0	0	590.580	3.258	50	0		KGAARN
Cc1ccc(NC(=O)Cn2c3ccccc3c(=O)n(CCC(=O)N3CCc4ccccc4C3)c2=O)c(C)c1	ZINC000008593278	553085195	/nfs/dbraw/zinc/08/51/95/553085195.db2.gz	UTADZFUUGOYTKC-UHFFFAOYSA-N	0	0	510.594	3.394	50	0		KGAARN
CCOc1ccccc1NC(=O)Cn1c2ccccc2c(=O)n(Cc2ccc(C(=O)NCCCOC)cc2)c1=O	ZINC000008593289	553085352	/nfs/dbraw/zinc/08/53/52/553085352.db2.gz	GYBMSDSGXVMKBX-UHFFFAOYSA-N	0	0	544.608	3.015	50	0		KGAARN
COCCCNC(=O)c1ccc(Cn2c(=O)c3ccccc3n(CC(=O)Nc3ccc(C)cc3C)c2=O)cc1	ZINC000008593291	553085342	/nfs/dbraw/zinc/08/53/42/553085342.db2.gz	VSBSWXKGKVDGKF-UHFFFAOYSA-N	0	0	528.609	3.233	50	0		KGAARN
COCCCNC(=O)c1ccc(Cn2c(=O)c3ccccc3n(CC(=O)Nc3c(C)cccc3C)c2=O)cc1	ZINC000008593293	553085339	/nfs/dbraw/zinc/08/53/39/553085339.db2.gz	RTPZKAQZGCRNCJ-UHFFFAOYSA-N	0	0	528.609	3.233	50	0		KGAARN
CCc1ccc(NC(=O)Cn2c3ccccc3c(=O)n(CCCC(=O)NCc3ccccc3OC)c2=O)cc1	ZINC000008593307	553085380	/nfs/dbraw/zinc/08/53/80/553085380.db2.gz	OZQUAUHSNPPUCC-UHFFFAOYSA-N	0	0	528.609	3.470	50	0		KGAARN
COc1ccc(-n2c(=O)c3c4c(sc3n(Cc3cc(=O)n5c(C)cccc5n3)c2=O)CCC4)c(OC)c1	ZINC000008593351	553085373	/nfs/dbraw/zinc/08/53/73/553085373.db2.gz	YHUNSAJYTKPPBW-UHFFFAOYSA-N	0	0	516.579	3.084	50	0		KGAARN
COc1ccc(CCNC(=O)CCn2c(=O)c3ccccc3n(Cc3ccccc3C)c2=O)cc1OC	ZINC000008593367	553085574	/nfs/dbraw/zinc/08/55/74/553085574.db2.gz	ZIUYORBZFBKCQZ-UHFFFAOYSA-N	0	0	501.583	3.286	50	0		KGAARN
COc1ccc(CCNC(=O)CCn2c(=O)c3ccccc3n(Cc3ccccc3F)c2=O)cc1OC	ZINC000008593394	553085582	/nfs/dbraw/zinc/08/55/82/553085582.db2.gz	XMHOKEUQFIGAGL-UHFFFAOYSA-N	0	0	505.546	3.117	50	0		KGAARN
CCc1ccc(NC(=O)Cn2c3ccccc3c(=O)n(CCC(=O)NCCc3ccc(OC)c(OC)c3)c2=O)cc1	ZINC000008593398	553085523	/nfs/dbraw/zinc/08/55/23/553085523.db2.gz	WSTNLUSWZUCVFD-UHFFFAOYSA-N	0	0	558.635	3.131	50	0		KGAARN
COc1ccc(NC(=O)Cn2c3ccccc3c(=O)n(CCC(=O)NCCc3ccc(OC)c(OC)c3)c2=O)cc1Cl	ZINC000008593405	553085549	/nfs/dbraw/zinc/08/55/49/553085549.db2.gz	OAUZTOUSTQFLPX-UHFFFAOYSA-N	0	0	595.052	3.230	50	0		KGAARN
COc1ccc(CCNC(=O)CCn2c(=O)c3ccccc3n(CC(=O)Nc3ccc(C)cc3C)c2=O)cc1OC	ZINC000008593416	553085529	/nfs/dbraw/zinc/08/55/29/553085529.db2.gz	FICXUXFXPXCJQV-UHFFFAOYSA-N	0	0	558.635	3.185	50	0		KGAARN
O=C(CCn1c(=O)c2ccccc2n(Cc2ccc(F)cc2Cl)c1=O)NCc1ccc2c(c1)OCO2	ZINC000008593453	553085571	/nfs/dbraw/zinc/08/55/71/553085571.db2.gz	XOALPMVMNPMADB-UHFFFAOYSA-N	0	0	509.921	3.439	50	0		KGAARN
COc1ccc(CCNC(=O)CCCn2c(=O)c3ccccc3n(CC(=O)Nc3ccccc3C)c2=O)cc1OC	ZINC000008593481	553085847	/nfs/dbraw/zinc/08/58/47/553085847.db2.gz	SYKHFUIEADSGMY-UHFFFAOYSA-N	0	0	558.635	3.267	50	0		KGAARN
COc1ccc(CCNC(=O)CCCn2c(=O)c3ccccc3n(CC(=O)Nc3cccc(C)c3)c2=O)cc1OC	ZINC000008593483	553085857	/nfs/dbraw/zinc/08/58/57/553085857.db2.gz	FNSNLYZTDYVJPW-UHFFFAOYSA-N	0	0	558.635	3.267	50	0		KGAARN
COc1cccc(NC(=O)Cn2c3ccccc3c(=O)n(CCC(=O)NCCc3ccc(Cl)cc3)c2=O)c1	ZINC000008593489	553085860	/nfs/dbraw/zinc/08/58/60/553085860.db2.gz	QNVFJUMCNYCMBJ-UHFFFAOYSA-N	0	0	535.000	3.213	50	0		KGAARN
CCc1ccccc1NC(=O)Cn1c2ccccc2c(=O)n(-c2ccc(CC(=O)NC[C@@H]3CCCO3)cc2)c1=O	ZINC000008593497	553085833	/nfs/dbraw/zinc/08/58/33/553085833.db2.gz	WYRMCPSBWIMFOG-DEOSSOPVSA-N	0	0	540.620	3.191	50	0		KGAARN
CCc1ccccc1NC(=O)Cn1c2ccccc2c(=O)n(-c2ccc(CC(=O)NC[C@H]3CCCO3)cc2)c1=O	ZINC000008593499	553085852	/nfs/dbraw/zinc/08/58/52/553085852.db2.gz	WYRMCPSBWIMFOG-XMMPIXPASA-N	0	0	540.620	3.191	50	0		KGAARN
Cc1ccc(C)c(NC(=O)Cn2c3ccccc3c(=O)n(-c3ccc(CC(=O)NC[C@@H]4CCCO4)cc3)c2=O)c1	ZINC000008593506	553085828	/nfs/dbraw/zinc/08/58/28/553085828.db2.gz	ILWYUFDYONTFDI-DEOSSOPVSA-N	0	0	540.620	3.246	50	0		KGAARN
Cc1ccc(C)c(NC(=O)Cn2c3ccccc3c(=O)n(-c3ccc(CC(=O)NC[C@H]4CCCO4)cc3)c2=O)c1	ZINC000008593509	553085810	/nfs/dbraw/zinc/08/58/10/553085810.db2.gz	ILWYUFDYONTFDI-XMMPIXPASA-N	0	0	540.620	3.246	50	0		KGAARN
COc1ccc(CCNC(=O)CCCn2c(=O)c3ccccc3n(Cc3ccccc3)c2=O)cc1OC	ZINC000008593523	553085815	/nfs/dbraw/zinc/08/58/15/553085815.db2.gz	QWVWXONFGZYVNA-UHFFFAOYSA-N	0	0	501.583	3.368	50	0		KGAARN
CCN(CC)C(=O)Cn1c2ccccc2c(=O)n(Cc2ccc(C(=O)NCCc3ccc(OC)c(OC)c3)cc2)c1=O	ZINC000008593534	553085855	/nfs/dbraw/zinc/08/58/55/553085855.db2.gz	YQSZFASDHJCLLW-UHFFFAOYSA-N	0	0	572.662	3.070	50	0		KGAARN
CCOc1ccc(NC(=O)Cn2c3ccccc3c(=O)n(CCCCC(=O)NCc3ccc4c(c3)OCO4)c2=O)cc1	ZINC000008593535	553085824	/nfs/dbraw/zinc/08/58/24/553085824.db2.gz	RWJXOHIWUCJAIU-UHFFFAOYSA-N	0	0	572.618	3.416	50	0		KGAARN
Cc1ccc(NC(=O)Cn2c3ccccc3c(=O)n(CCCCC(=O)NCc3ccc4c(c3)OCO4)c2=O)cc1	ZINC000008593539	553085845	/nfs/dbraw/zinc/08/58/45/553085845.db2.gz	MVXYEICENBRHMZ-UHFFFAOYSA-N	0	0	542.592	3.326	50	0		KGAARN
CCOc1ccc(NC(=O)Cn2c3ccccc3c(=O)n(CCCC(=O)NCc3ccc4c(c3)OCO4)c2=O)cc1	ZINC000008593593	553086020	/nfs/dbraw/zinc/08/60/20/553086020.db2.gz	BQMPCFXIZXQZIM-UHFFFAOYSA-N	0	0	558.591	3.026	50	0		KGAARN
CCc1ccc(NC(=O)Cn2c3ccccc3c(=O)n(CCCC(=O)NCc3ccc4c(c3)OCO4)c2=O)cc1	ZINC000008593597	553086008	/nfs/dbraw/zinc/08/60/08/553086008.db2.gz	SJSBFWPSDGXFQQ-UHFFFAOYSA-N	0	0	542.592	3.190	50	0		KGAARN
O=C(CCCn1c(=O)c2ccccc2n(CC(=O)Nc2cccc(Cl)c2)c1=O)NCc1ccc2c(c1)OCO2	ZINC000008593606	553085993	/nfs/dbraw/zinc/08/59/93/553085993.db2.gz	AVCWUERYLDROHZ-UHFFFAOYSA-N	0	0	548.983	3.281	50	0		KGAARN
CC[C@@H](C)NC(=O)Cn1c2ccccc2c(=O)n(Cc2ccc(C(=O)NCc3ccccc3OC)cc2)c1=O	ZINC000008593621	553086043	/nfs/dbraw/zinc/08/60/43/553086043.db2.gz	OUDUGIWHWSUAPT-HXUWFJFHSA-N	0	0	528.609	3.065	50	0		KGAARN
CC[C@H](C)NC(=O)Cn1c2ccccc2c(=O)n(Cc2ccc(C(=O)NCc3ccccc3OC)cc2)c1=O	ZINC000008593623	553086054	/nfs/dbraw/zinc/08/60/54/553086054.db2.gz	OUDUGIWHWSUAPT-FQEVSTJZSA-N	0	0	528.609	3.065	50	0		KGAARN
CCc1ccc(NC(=O)Cn2c3ccccc3c(=O)n(CCC(=O)N3CCc4ccccc4C3)c2=O)cc1	ZINC000008593650	553086268	/nfs/dbraw/zinc/08/62/68/553086268.db2.gz	YFGLMTREZMSKRV-UHFFFAOYSA-N	0	0	510.594	3.339	50	0		KGAARN
COC(=O)c1ccccc1NC(=O)Cn1c2ccccc2c(=O)n(Cc2ccc(C(=O)NCc3ccc4c(c3)OCO4)cc2)c1=O	ZINC000008593686	553086258	/nfs/dbraw/zinc/08/62/58/553086258.db2.gz	IXIGWDAVLQDNGW-UHFFFAOYSA-N	0	0	620.618	3.296	50	0		KGAARN
COc1cccc(NC(=O)Cn2c3ccccc3c(=O)n(CCCCC(=O)NCCc3ccccc3)c2=O)c1	ZINC000008593690	553086330	/nfs/dbraw/zinc/08/63/30/553086330.db2.gz	VVOLGJRLCKUPJK-UHFFFAOYSA-N	0	0	528.609	3.340	50	0		KGAARN
O=C(CCCCn1c(=O)c2ccccc2n(CC(=O)Nc2cccc(F)c2)c1=O)NCCc1ccccc1	ZINC000008593705	553086319	/nfs/dbraw/zinc/08/63/19/553086319.db2.gz	NNYWWGAEKHEARP-UHFFFAOYSA-N	0	0	516.573	3.470	50	0		KGAARN
Cc1ccc(NC(=O)Cn2c3ccccc3c(=O)n(CCC(=O)NCc3ccccc3Cl)c2=O)cc1	ZINC000008593708	553086317	/nfs/dbraw/zinc/08/63/17/553086317.db2.gz	UDXHSMUJKWVVGB-UHFFFAOYSA-N	0	0	504.974	3.470	50	0		KGAARN
CCOC(=O)c1ccccc1NC(=O)Cn1c2ccccc2c(=O)n(Cc2nc(-c3ccccc3)no2)c1=O	ZINC000008593765	553086495	/nfs/dbraw/zinc/08/64/95/553086495.db2.gz	URYSXOLKSFVASR-UHFFFAOYSA-N	0	0	525.521	3.077	50	0		KGAARN
Cc1cc(C)c(NC(=O)Cn2c3ccccc3c(=O)n(CCC(=O)NCc3ccc4c(c3)OCO4)c2=O)c(C)c1	ZINC000008593779	553086612	/nfs/dbraw/zinc/08/66/12/553086612.db2.gz	VTLBKCRFJDCPMF-UHFFFAOYSA-N	0	0	542.592	3.162	50	0		KGAARN
COc1ccc(NC(=O)Cn2c3ccccc3c(=O)n(CCC(=O)NCc3ccccc3OC)c2=O)cc1Cl	ZINC000008593786	553086632	/nfs/dbraw/zinc/08/66/32/553086632.db2.gz	MVTJCTJHHHUYQB-UHFFFAOYSA-N	0	0	550.999	3.179	50	0		KGAARN
COc1ccccc1CNC(=O)CCn1c(=O)c2ccccc2n(CC(=O)Nc2ccc(Br)cc2F)c1=O	ZINC000008593790	553086610	/nfs/dbraw/zinc/08/66/10/553086610.db2.gz	FGNCDTQOLFAOMJ-UHFFFAOYSA-N	0	0	583.414	3.419	50	0		KGAARN
COc1ccccc1CNC(=O)CCn1c(=O)c2ccccc2n(CC(=O)Nc2cccc(Cl)c2)c1=O	ZINC000008593794	553086647	/nfs/dbraw/zinc/08/66/47/553086647.db2.gz	KGIYCCHHEMCLTC-UHFFFAOYSA-N	0	0	520.973	3.170	50	0		KGAARN
COc1ccccc1CNC(=O)CCn1c(=O)c2ccccc2n(CC(=O)Nc2cc(Cl)ccc2C)c1=O	ZINC000008593802	553086618	/nfs/dbraw/zinc/08/66/18/553086618.db2.gz	ZCLUVIFWKLCLSE-UHFFFAOYSA-N	0	0	535.000	3.479	50	0		KGAARN
COc1ccccc1CNC(=O)CCn1c(=O)c2ccccc2n(CC(=O)Nc2ccc(C)cc2Cl)c1=O	ZINC000008593806	553086643	/nfs/dbraw/zinc/08/66/43/553086643.db2.gz	QDJQHUOGJFQMNJ-UHFFFAOYSA-N	0	0	535.000	3.479	50	0		KGAARN
CCOc1ccc(NC(=O)Cn2c3ccccc3c(=O)n(CCCS(=O)(=O)C3CCCCC3)c2=O)cc1	ZINC000008593834	553086637	/nfs/dbraw/zinc/08/66/37/553086637.db2.gz	AVURRDLMLNZING-UHFFFAOYSA-N	0	0	527.643	3.338	50	0		KGAARN
COC(=O)c1ccccc1NC(=O)Cn1c2ccccc2c(=O)n(CCCC(=O)NCc2ccccc2Cl)c1=O	ZINC000008593849	553086877	/nfs/dbraw/zinc/08/68/77/553086877.db2.gz	ALHBCUWBODTPFE-UHFFFAOYSA-N	0	0	563.010	3.339	50	0		KGAARN
O=C(Cn1c2ccccc2c(=O)n(CCCS(=O)(=O)C2CCCCC2)c1=O)Nc1ccccc1F	ZINC000008593861	553086891	/nfs/dbraw/zinc/08/68/91/553086891.db2.gz	FQWYAAUPLSAXBN-UHFFFAOYSA-N	0	0	501.580	3.079	50	0		KGAARN
Cc1ccc(NC(=O)Cn2c3ccccc3c(=O)n(CCCS(=O)(=O)C3CCCCC3)c2=O)cc1F	ZINC000008593865	553086950	/nfs/dbraw/zinc/08/69/50/553086950.db2.gz	CAFLZLQTLNERRJ-UHFFFAOYSA-N	0	0	515.607	3.387	50	0		KGAARN
O=C(Cn1c(=O)n(Cc2nc(-c3ccccc3)no2)c(=O)c2cc3c(cc21)OCO3)Nc1ccc(Cl)cc1	ZINC000008593938	553087134	/nfs/dbraw/zinc/08/71/34/553087134.db2.gz	IXTCLLLGOWHOQG-UHFFFAOYSA-N	0	0	531.912	3.282	50	0		KGAARN
COc1ccc(NC(=O)Cn2c3cc4c(cc3c(=O)n(Cc3nc(-c5ccccc5)no3)c2=O)OCO4)cc1Cl	ZINC000008593955	553087165	/nfs/dbraw/zinc/08/71/65/553087165.db2.gz	TTYZDMNZYJJHMB-UHFFFAOYSA-N	0	0	561.938	3.291	50	0	aggregator	KGAARN
CCN(CC)C(=O)Cn1c2ccccc2c(=O)n(Cc2ccc(C(=O)NCc3ccc(C)cc3)cc2)c1=O	ZINC000008593985	553087106	/nfs/dbraw/zinc/08/71/06/553087106.db2.gz	VETDFXHLUSOKRS-UHFFFAOYSA-N	0	0	512.610	3.318	50	0		KGAARN
CC[C@@H](C)NC(=O)Cn1c2ccccc2c(=O)n(Cc2ccc(C(=O)NCc3ccc(C)cc3)cc2)c1=O	ZINC000008593993	553087114	/nfs/dbraw/zinc/08/71/14/553087114.db2.gz	ZGVUOOXSEITGJU-OAQYLSRUSA-N	0	0	512.610	3.365	50	0		KGAARN
CC[C@H](C)NC(=O)Cn1c2ccccc2c(=O)n(Cc2ccc(C(=O)NCc3ccc(C)cc3)cc2)c1=O	ZINC000008593994	553087172	/nfs/dbraw/zinc/08/71/72/553087172.db2.gz	ZGVUOOXSEITGJU-NRFANRHFSA-N	0	0	512.610	3.365	50	0		KGAARN
COc1ccccc1CNC(=O)CCn1c(=O)c2ccccc2n(CC(=O)Nc2ccc(C)cc2C)c1=O	ZINC000008594012	553087170	/nfs/dbraw/zinc/08/71/70/553087170.db2.gz	UBJZQSMQJCBCFG-UHFFFAOYSA-N	0	0	514.582	3.134	50	0		KGAARN
COc1cc(NC(=O)Cn2cc(S(=O)(=O)N3CCC(C)CC3)c3ccccc3c2=O)cc(OC)c1OC	ZINC000008594027	553087158	/nfs/dbraw/zinc/08/71/58/553087158.db2.gz	ALFMQAHKJARRFO-UHFFFAOYSA-N	0	0	529.615	3.087	50	0		KGAARN
COc1ccc(Br)c(C(=O)Nc2cc3c(cc2N2CCCCC2)n(C)c(=O)c(=O)n3C)c1	ZINC000008594421	553087655	/nfs/dbraw/zinc/08/76/55/553087655.db2.gz	SMHJTSVBNMTVGL-UHFFFAOYSA-N	0	0	501.381	3.251	50	0		KGAARN
CCOc1cc(C(=O)Nc2cc3c(cc2N2CCCC2)n(C)c(=O)c(=O)n3C)cc(OCC)c1OCC	ZINC000008594658	553087638	/nfs/dbraw/zinc/08/76/38/553087638.db2.gz	CDQWNZVEAQQRTF-UHFFFAOYSA-N	0	0	510.591	3.286	50	0		KGAARN
Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)CC1	ZINC000008595050	553088595	/nfs/dbraw/zinc/08/85/95/553088595.db2.gz	RWDDWXBATZMCOT-UHFFFAOYSA-N	0	0	500.543	3.060	50	0		KGAARN
O=C([C@@H]1CCCN(S(=O)(=O)c2cccc3nsnc32)C1)N1CCN(c2ccccc2Cl)CC1	ZINC000008595594	553089247	/nfs/dbraw/zinc/08/92/47/553089247.db2.gz	LOYDWOYZILHJTQ-MRXNPFEDSA-N	0	0	506.053	3.094	50	0		KGAARN
O=C([C@H]1CCCN(S(=O)(=O)c2cccc3nsnc32)C1)N1CCN(c2ccccc2Cl)CC1	ZINC000008595595	553089233	/nfs/dbraw/zinc/08/92/33/553089233.db2.gz	LOYDWOYZILHJTQ-INIZCTEOSA-N	0	0	506.053	3.094	50	0		KGAARN
O=C([C@@H]1CCCN(S(=O)(=O)c2cccc3nsnc32)C1)N1CCN(c2cccc(Cl)c2)CC1	ZINC000008595680	553089232	/nfs/dbraw/zinc/08/92/32/553089232.db2.gz	CAAMMDXKOSRAKM-MRXNPFEDSA-N	0	0	506.053	3.094	50	0	aggregator	KGAARN
O=C([C@H]1CCCN(S(=O)(=O)c2cccc3nsnc32)C1)N1CCN(c2cccc(Cl)c2)CC1	ZINC000008595682	553089244	/nfs/dbraw/zinc/08/92/44/553089244.db2.gz	CAAMMDXKOSRAKM-INIZCTEOSA-N	0	0	506.053	3.094	50	0	aggregator	KGAARN
COc1cccc(NC(=O)Cn2c3cc(C(=O)NCc4ccc5c(c4)OCO5)ccc3c(=O)n(-c3ccccc3)c2=O)c1	ZINC000008595892	553089543	/nfs/dbraw/zinc/08/95/43/553089543.db2.gz	LJQOMFCOUNHZOG-UHFFFAOYSA-N	0	0	578.581	3.458	50	0	aggregator	KGAARN
COc1ccc(NC(=O)Cn2c3cc(C(=O)NCc4ccc5c(c4)OCO5)ccc3c(=O)n(-c3ccccc3)c2=O)cc1	ZINC000008595922	553089496	/nfs/dbraw/zinc/08/94/96/553089496.db2.gz	RITPICKOOFBFAN-UHFFFAOYSA-N	0	0	578.581	3.458	50	0		KGAARN
CC(=O)N1CCc2cc(S(=O)(=O)N[C@@H](Cc3ccccc3)C(=O)NCc3ccccc3Cl)ccc21	ZINC000008595948	553089546	/nfs/dbraw/zinc/08/95/46/553089546.db2.gz	NGPKTXXDUNBBDF-DEOSSOPVSA-N	0	0	512.031	3.455	50	0		KGAARN
CC(=O)N1CCc2cc(S(=O)(=O)N[C@H](Cc3ccccc3)C(=O)NCc3ccccc3Cl)ccc21	ZINC000008595951	553089541	/nfs/dbraw/zinc/08/95/41/553089541.db2.gz	NGPKTXXDUNBBDF-XMMPIXPASA-N	0	0	512.031	3.455	50	0		KGAARN
CCC(=O)N1CCc2cc(S(=O)(=O)N[C@@H](Cc3ccccc3)C(=O)NCc3ccccc3OC)ccc21	ZINC000008596041	553089776	/nfs/dbraw/zinc/08/97/76/553089776.db2.gz	DUAGJXYFKLPYAK-DEOSSOPVSA-N	0	0	521.639	3.200	50	0		KGAARN
CCC(=O)N1CCc2cc(S(=O)(=O)N[C@H](Cc3ccccc3)C(=O)NCc3ccccc3OC)ccc21	ZINC000008596044	553089786	/nfs/dbraw/zinc/08/97/86/553089786.db2.gz	DUAGJXYFKLPYAK-XMMPIXPASA-N	0	0	521.639	3.200	50	0		KGAARN
CCC(=O)N1CCc2cc(S(=O)(=O)N[C@@H](Cc3ccccc3)C(=O)NCc3cccc(OC)c3)ccc21	ZINC000008596049	553089746	/nfs/dbraw/zinc/08/97/46/553089746.db2.gz	LFZVFYPSXGAYEH-VWLOTQADSA-N	0	0	521.639	3.200	50	0		KGAARN
CCC(=O)N1CCc2cc(S(=O)(=O)N[C@H](Cc3ccccc3)C(=O)NCc3cccc(OC)c3)ccc21	ZINC000008596051	553089780	/nfs/dbraw/zinc/08/97/80/553089780.db2.gz	LFZVFYPSXGAYEH-RUZDIDTESA-N	0	0	521.639	3.200	50	0		KGAARN
CCC(=O)N1CCc2cc(S(=O)(=O)N[C@@H](Cc3ccccc3)C(=O)NCc3ccc(F)cc3)ccc21	ZINC000008596054	553089793	/nfs/dbraw/zinc/08/97/93/553089793.db2.gz	NTODVCQUBCQMOV-DEOSSOPVSA-N	0	0	509.603	3.331	50	0		KGAARN
CCC(=O)N1CCc2cc(S(=O)(=O)N[C@H](Cc3ccccc3)C(=O)NCc3ccc(F)cc3)ccc21	ZINC000008596056	553089767	/nfs/dbraw/zinc/08/97/67/553089767.db2.gz	NTODVCQUBCQMOV-XMMPIXPASA-N	0	0	509.603	3.331	50	0		KGAARN
Cc1ccccc1NC(=O)Cn1c2cc(C(=O)NC3CCCC3)ccc2c(=O)n(Cc2ccco2)c1=O	ZINC000008596266	553089978	/nfs/dbraw/zinc/08/99/78/553089978.db2.gz	OPXNLKIVWWLSNL-UHFFFAOYSA-N	0	0	500.555	3.424	50	0		KGAARN
O=C(Cn1c(=O)n(Cc2ccco2)c(=O)c2ccc(C(=O)NC3CCCC3)cc21)Nc1ccc(F)cc1	ZINC000008596302	553089994	/nfs/dbraw/zinc/08/99/94/553089994.db2.gz	XLPWPOGKPSNGAV-UHFFFAOYSA-N	0	0	504.518	3.255	50	0		KGAARN
CCOC(=O)c1cccc(NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2cccc3nsnc32)c1	ZINC000008596362	553090342	/nfs/dbraw/zinc/09/03/42/553090342.db2.gz	VHXFGXNWYCFAJL-HXUWFJFHSA-N	0	0	510.597	3.396	50	0		KGAARN
CCOC(=O)c1cccc(NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2cccc3nsnc32)c1	ZINC000008596365	553090420	/nfs/dbraw/zinc/09/04/20/553090420.db2.gz	VHXFGXNWYCFAJL-FQEVSTJZSA-N	0	0	510.597	3.396	50	0		KGAARN
Cc1ccc(Cl)cc1N1CCN(C(=O)c2cn(C)c3ccc(S(=O)(=O)N4CCCC4)cc3c2=O)CC1	ZINC000008596528	553090592	/nfs/dbraw/zinc/09/05/92/553090592.db2.gz	GQNJDXHBSPVJOH-UHFFFAOYSA-N	0	0	529.062	3.247	50	0		KGAARN
COc1ccccc1N1CCN(C(=O)c2cn(C)c3ccc(S(=O)(=O)N(C)C4CCCCC4)cc3c2=O)CC1	ZINC000008596764	553091208	/nfs/dbraw/zinc/09/12/08/553091208.db2.gz	PPLCUKUNOWHXPS-UHFFFAOYSA-N	0	0	552.697	3.463	50	0		KGAARN
CN(C1CCCCC1)S(=O)(=O)c1ccc2c(c1)c(=O)c(C(=O)N1CCN(c3ccccc3)CC1)cn2C	ZINC000008596767	553091199	/nfs/dbraw/zinc/09/11/99/553091199.db2.gz	CDDGGOQXHZPSQW-UHFFFAOYSA-N	0	0	522.671	3.454	50	0		KGAARN
COc1ccc(N(CC(=O)N2CCN(c3cccc(Cl)c3)CC2)S(=O)(=O)c2c(C)noc2C)cc1	ZINC000008596814	553091212	/nfs/dbraw/zinc/09/12/12/553091212.db2.gz	ORQLUQDNOVETCR-UHFFFAOYSA-N	0	0	519.023	3.498	50	0		KGAARN
COc1ccc(N(CC(=O)N2CCN(c3cccc(C)c3C)CC2)S(=O)(=O)c2c(C)noc2C)cc1	ZINC000008596819	553091192	/nfs/dbraw/zinc/09/11/92/553091192.db2.gz	LORQADGNRDCGQN-UHFFFAOYSA-N	0	0	512.632	3.461	50	0		KGAARN
COc1ccc(N(CC(=O)N2CCN(c3cc(C)ccc3C)CC2)S(=O)(=O)c2c(C)noc2C)cc1	ZINC000008596827	553091175	/nfs/dbraw/zinc/09/11/75/553091175.db2.gz	XUVFTHBDPMJDEA-UHFFFAOYSA-N	0	0	512.632	3.461	50	0		KGAARN
CCn1cc(C(=O)N2CCN(c3ccccc3OC)CC2)c(=O)c2cc(S(=O)(=O)N3CCC(C)CC3)ccc21	ZINC000008596849	553091348	/nfs/dbraw/zinc/09/13/48/553091348.db2.gz	XXFPSBAVTFSVIP-UHFFFAOYSA-N	0	0	552.697	3.413	50	0		KGAARN
CCn1cc(C(=O)N2CCN(c3ccccc3)CC2)c(=O)c2cc(S(=O)(=O)N3CCC(C)CC3)ccc21	ZINC000008596854	553091350	/nfs/dbraw/zinc/09/13/50/553091350.db2.gz	DGPYEKSMEIFPEJ-UHFFFAOYSA-N	0	0	522.671	3.404	50	0		KGAARN
CCn1cc(C(=O)NCCc2ccc(OC)c(OC)c2)c(=O)c2cc(S(=O)(=O)N3CCC(C)CC3)ccc21	ZINC000008596867	553091287	/nfs/dbraw/zinc/09/12/87/553091287.db2.gz	PZRITLIASMWMEW-UHFFFAOYSA-N	0	0	541.670	3.432	50	0		KGAARN
COc1ccc(CCNC(=O)c2cn(C)c3ccc(S(=O)(=O)N(C)C4CCCCC4)cc3c2=O)cc1OC	ZINC000008596876	553091316	/nfs/dbraw/zinc/09/13/16/553091316.db2.gz	ZKLXRHIDLREMCM-UHFFFAOYSA-N	0	0	541.670	3.481	50	0		KGAARN
CCn1cc(C(=O)NCCCOC(C)C)c(=O)c2cc(S(=O)(=O)N3CCc4ccccc4C3)ccc21	ZINC000008597036	553091597	/nfs/dbraw/zinc/09/15/97/553091597.db2.gz	RMDLZOPKHQAGRZ-UHFFFAOYSA-N	0	0	511.644	3.313	50	0		KGAARN
CCN(CC)S(=O)(=O)c1ccc2c(c1)c(=O)c(C(=O)N1CCN(c3cccc(Cl)c3)CC1)cn2C	ZINC000008597116	553091892	/nfs/dbraw/zinc/09/18/92/553091892.db2.gz	QDJCFWVNGQTLRJ-UHFFFAOYSA-N	0	0	517.051	3.185	50	0		KGAARN
CCn1cc(C(=O)N2CCN(c3ccc(C)cc3)[C@H](C)C2)c(=O)c2cc(S(=O)(=O)N3CCCC3)ccc21	ZINC000008597117	553091887	/nfs/dbraw/zinc/09/18/87/553091887.db2.gz	PHSILLNZCYKEJI-OAQYLSRUSA-N	0	0	522.671	3.465	50	0		KGAARN
CCn1cc(C(=O)N2CCN(c3ccc(C)cc3)[C@@H](C)C2)c(=O)c2cc(S(=O)(=O)N3CCCC3)ccc21	ZINC000008597119	553091919	/nfs/dbraw/zinc/09/19/19/553091919.db2.gz	PHSILLNZCYKEJI-NRFANRHFSA-N	0	0	522.671	3.465	50	0		KGAARN
CCN(CC)S(=O)(=O)c1ccc2c(c1)c(=O)c(C(=O)N1CCN(c3cc(C)ccc3C)CC1)cn2C	ZINC000008597121	553091880	/nfs/dbraw/zinc/09/18/80/553091880.db2.gz	PTHYNGYEHVIFQM-UHFFFAOYSA-N	0	0	510.660	3.148	50	0		KGAARN
CCN(CC)S(=O)(=O)c1ccc2c(c1)c(=O)c(C(=O)N1CCN(c3cc(Cl)ccc3C)CC1)cn2C	ZINC000008597122	553091938	/nfs/dbraw/zinc/09/19/38/553091938.db2.gz	BKTJBAMOBNWQBI-UHFFFAOYSA-N	0	0	531.078	3.493	50	0		KGAARN
CCN(CC)S(=O)(=O)c1ccc2c(c1)c(=O)c(C(=O)N1CCN(c3cccc(C)c3)[C@H](C)C1)cn2C	ZINC000008597124	553091883	/nfs/dbraw/zinc/09/18/83/553091883.db2.gz	HYCBUYZQLDGJJN-HXUWFJFHSA-N	0	0	510.660	3.228	50	0		KGAARN
CCN(CC)S(=O)(=O)c1ccc2c(c1)c(=O)c(C(=O)N1CCN(c3cccc(C)c3)[C@@H](C)C1)cn2C	ZINC000008597125	553091865	/nfs/dbraw/zinc/09/18/65/553091865.db2.gz	HYCBUYZQLDGJJN-FQEVSTJZSA-N	0	0	510.660	3.228	50	0		KGAARN
CCn1cc(C(=O)N2CCN(c3ccccc3OC)CC2)c(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc21	ZINC000008597151	553091862	/nfs/dbraw/zinc/09/18/62/553091862.db2.gz	QYXMUDWWIJOJNP-UHFFFAOYSA-N	0	0	538.670	3.167	50	0		KGAARN
COc1ccc(CCNC(=O)Cn2cc(C(=O)c3ccc(F)cc3)c(=O)c3ccc(C)nc32)cc1OC	ZINC000008598959	553095161	/nfs/dbraw/zinc/09/51/61/553095161.db2.gz	OLFDVVXDKZKLTL-UHFFFAOYSA-N	0	0	503.530	3.451	50	0		KGAARN
Cc1ccc(CNC(=O)CSc2nc3c4ccccc4sc3c(=O)n2CCCC(=O)NCCO)cc1	ZINC000008599174	553095153	/nfs/dbraw/zinc/09/51/53/553095153.db2.gz	YBYFITJDGMWPIT-UHFFFAOYSA-N	0	0	524.668	3.217	50	0		KGAARN
COc1ccc(NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccc3c(c2)CCC(=O)N3)c(OC)c1	ZINC000008599388	553095320	/nfs/dbraw/zinc/09/53/20/553095320.db2.gz	YBADAEMWDDBYCT-HSZRJFAPSA-N	0	0	509.584	3.117	50	0		KGAARN
COc1ccc(NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccc3c(c2)CCC(=O)N3)c(OC)c1	ZINC000008599392	553095268	/nfs/dbraw/zinc/09/52/68/553095268.db2.gz	YBADAEMWDDBYCT-QHCPKHFHSA-N	0	0	509.584	3.117	50	0		KGAARN
COc1ccc(OC)c(NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccc3c(c2)CCC(=O)N3)c1	ZINC000008599394	553095322	/nfs/dbraw/zinc/09/53/22/553095322.db2.gz	GHUXVUNJXTXEIW-HSZRJFAPSA-N	0	0	509.584	3.117	50	0		KGAARN
COc1ccc(OC)c(NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccc3c(c2)CCC(=O)N3)c1	ZINC000008599397	553095289	/nfs/dbraw/zinc/09/52/89/553095289.db2.gz	GHUXVUNJXTXEIW-QHCPKHFHSA-N	0	0	509.584	3.117	50	0		KGAARN
O=C(CCNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CC1)N1CCN(c2cccc(C(F)(F)F)c2)CC1	ZINC000008600953	553096111	/nfs/dbraw/zinc/09/61/11/553096111.db2.gz	ZUYKTESIGINRJY-UHFFFAOYSA-N	0	0	550.603	3.022	50	0		KGAARN
CC(=O)N1CCCc2cc(S(=O)(=O)N3CCC[C@H](C(=O)N4CCN(c5cccc(Cl)c5)CC4)C3)ccc21	ZINC000008601091	553096302	/nfs/dbraw/zinc/09/63/02/553096302.db2.gz	GCGLMEPNMONLFI-QFIPXVFZSA-N	0	0	545.105	3.389	50	0		KGAARN
CC(=O)N1CCCc2cc(S(=O)(=O)N3CCC[C@@H](C(=O)N4CCN(c5cc(C)ccc5C)CC4)C3)ccc21	ZINC000008601092	553096239	/nfs/dbraw/zinc/09/62/39/553096239.db2.gz	JREBEVAYBQMJDL-RUZDIDTESA-N	0	0	538.714	3.352	50	0		KGAARN
COc1ccccc1N1CCN(C(=O)Cn2c3ccccc3c3nc(-c4cccc(C)c4)nn3c2=O)CC1	ZINC000008601923	553096319	/nfs/dbraw/zinc/09/63/19/553096319.db2.gz	UDBYSOAYBZFCQC-UHFFFAOYSA-N	0	0	508.582	3.377	50	0		KGAARN
COc1ccccc1N1CCN(C(=O)Cn2c3ccccc3c3nc(-c4ccc(C)cc4)nn3c2=O)CC1	ZINC000008601927	553096259	/nfs/dbraw/zinc/09/62/59/553096259.db2.gz	CTQYHERSWRRZBC-UHFFFAOYSA-N	0	0	508.582	3.377	50	0		KGAARN
COc1ccc(-c2nc3c4ccccc4n(CC(=O)N4CCN(c5ccccc5OC)CC4)c(=O)n3n2)cc1	ZINC000008601950	553096295	/nfs/dbraw/zinc/09/62/95/553096295.db2.gz	CYPJNQRFHJATPU-UHFFFAOYSA-N	0	0	524.581	3.077	50	0		KGAARN
COc1ccc(-c2nc3c4ccccc4n(CC(=O)N4CCN(c5ccc(F)cc5)CC4)c(=O)n3n2)cc1	ZINC000008601955	553096352	/nfs/dbraw/zinc/09/63/52/553096352.db2.gz	XGBZNVYOFWFNMY-UHFFFAOYSA-N	0	0	512.545	3.208	50	0		KGAARN
COc1ccc(-c2nc3c4ccccc4n(CC(=O)N4CCN(c5ccccc5F)CC4)c(=O)n3n2)cc1	ZINC000008601968	553096228	/nfs/dbraw/zinc/09/62/28/553096228.db2.gz	XXSYPVOFPBYNHM-UHFFFAOYSA-N	0	0	512.545	3.208	50	0		KGAARN
COc1ccccc1N1CCN(C(=O)Cn2c3ccccc3c3nc(-c4cccc(F)c4)nn3c2=O)CC1	ZINC000008601969	553096236	/nfs/dbraw/zinc/09/62/36/553096236.db2.gz	GZKWOMQNTHEZNT-UHFFFAOYSA-N	0	0	512.545	3.208	50	0		KGAARN
O=C(Cn1c2ccccc2c2nc(-c3cccc(F)c3)nn2c1=O)N1CCN(c2ccc(F)cc2)CC1	ZINC000008601974	553096276	/nfs/dbraw/zinc/09/62/76/553096276.db2.gz	RLOYKOUCSAMCAB-UHFFFAOYSA-N	0	0	500.509	3.338	50	0		KGAARN
O=C(Cn1c2ccccc2c2nc(-c3cccc(F)c3)nn2c1=O)N1CCN(c2ccccc2F)CC1	ZINC000008601975	553096306	/nfs/dbraw/zinc/09/63/06/553096306.db2.gz	ZXWSRLNLYYHOIJ-UHFFFAOYSA-N	0	0	500.509	3.338	50	0		KGAARN
COc1cc2c3nc(CCn4nc(C)cc4C)nn3c(=O)n(CC(=O)c3ccc(F)cc3)c2cc1OC	ZINC000008601996	553096285	/nfs/dbraw/zinc/09/62/85/553096285.db2.gz	YEVJCUBMETVFGH-UHFFFAOYSA-N	0	0	504.522	3.139	50	0		KGAARN
COc1cc2c3nc(CCn4nc(C)cc4C)nn3c(=O)n(CC(=O)c3ccc(C)cc3)c2cc1OC	ZINC000008601998	553096315	/nfs/dbraw/zinc/09/63/15/553096315.db2.gz	YOLFBDFPBDTRKW-UHFFFAOYSA-N	0	0	500.559	3.309	50	0		KGAARN
COc1ccc(C(=O)Cn2c3cc(OC)c(OC)cc3c3nc(CCn4nc(C)cc4C)nn3c2=O)cc1	ZINC000008602001	553096330	/nfs/dbraw/zinc/09/63/30/553096330.db2.gz	WUIVDHONSSRLCH-UHFFFAOYSA-N	0	0	516.558	3.009	50	0		KGAARN
CCOc1ccc(C(=O)Cn2c3cc(OC)c(OC)cc3c3nc(CCn4nc(C)cc4C)nn3c2=O)cc1	ZINC000008602019	553096298	/nfs/dbraw/zinc/09/62/98/553096298.db2.gz	MWQHFSBTNIQONZ-UHFFFAOYSA-N	0	0	530.585	3.399	50	0		KGAARN
Cn1c(=O)oc2cc(S(=O)(=O)N3CCC[C@H](C(=O)Nc4ccc(Br)cc4F)C3)ccc21	ZINC000008603635	553096623	/nfs/dbraw/zinc/09/66/23/553096623.db2.gz	SJVJZDJNOLSLPQ-LBPRGKRZSA-N	0	0	512.357	3.073	50	0		KGAARN
Cn1c(=O)oc2cc(S(=O)(=O)N3CCC[C@@H](C(=O)Nc4ccc(Br)cc4F)C3)ccc21	ZINC000008603636	553096652	/nfs/dbraw/zinc/09/66/52/553096652.db2.gz	SJVJZDJNOLSLPQ-GFCCVEGCSA-N	0	0	512.357	3.073	50	0		KGAARN
CCN(CC)c1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc4c(c3)oc(=O)n4C)C2)c(C)c1	ZINC000008603714	553096852	/nfs/dbraw/zinc/09/68/52/553096852.db2.gz	ZMYWVYDSMGNINA-GOSISDBHSA-N	0	0	500.621	3.326	50	0		KGAARN
CCN(CC)c1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc4c(c3)oc(=O)n4C)C2)c(C)c1	ZINC000008603715	553096880	/nfs/dbraw/zinc/09/68/80/553096880.db2.gz	ZMYWVYDSMGNINA-SFHVURJKSA-N	0	0	500.621	3.326	50	0		KGAARN
Cc1ccc(Cl)cc1N1CCN(C(=O)CN2C(=O)COc3ccc(S(=O)(=O)N4CCC(C)CC4)cc32)CC1	ZINC000008604136	553096961	/nfs/dbraw/zinc/09/69/61/553096961.db2.gz	HDQASDVARNSVSM-UHFFFAOYSA-N	0	0	561.104	3.143	50	0		KGAARN
O=C(CN1C(=O)COc2ccc(S(=O)(=O)N3CCCCCC3)cc21)N1CCN(c2cccc(C(F)(F)F)c2)CC1	ZINC000008604358	553097467	/nfs/dbraw/zinc/09/74/67/553097467.db2.gz	IRUCUTLZNZYFJK-UHFFFAOYSA-N	0	0	580.629	3.344	50	0		KGAARN
Cc1ccc(Cl)cc1N1CCN(C(=O)CN2C(=O)COc3ccc(S(=O)(=O)N4CCCCCC4)cc32)CC1	ZINC000008604391	553097487	/nfs/dbraw/zinc/09/74/87/553097487.db2.gz	ATYDBNYOMHHHOC-UHFFFAOYSA-N	0	0	561.104	3.287	50	0		KGAARN
CCOc1ccccc1NC(=O)Cn1c2sc3c(c2c(=O)n(-c2ccc(F)cc2)c1=O)CCN(C(C)=O)C3	ZINC000008604540	553097792	/nfs/dbraw/zinc/09/77/92/553097792.db2.gz	LFRXTZKPHRNGDX-UHFFFAOYSA-N	0	0	536.585	3.295	50	0		KGAARN
CCOc1ccc(NC(=O)Cn2c3sc4c(c3c(=O)n(Cc3ccccc3)c2=O)CCN(C(C)=O)C4)cc1	ZINC000008604586	553097779	/nfs/dbraw/zinc/09/77/79/553097779.db2.gz	YKJDMJLUMXISKF-UHFFFAOYSA-N	0	0	532.622	3.215	50	0		KGAARN
CCOc1ccccc1NC(=O)Cn1c2sc3c(c2c(=O)n(Cc2ccccc2)c1=O)CCN(C(C)=O)C3	ZINC000008604614	553097795	/nfs/dbraw/zinc/09/77/95/553097795.db2.gz	AQMZANFCOYGTFF-UHFFFAOYSA-N	0	0	532.622	3.215	50	0		KGAARN
CC(=O)N1CCc2c(sc3c2c(=O)n(Cc2ccccc2)c(=O)n3CC(=O)Nc2ccc(C)c(F)c2)C1	ZINC000008604615	553097756	/nfs/dbraw/zinc/09/77/56/553097756.db2.gz	RTXXBXBOQPNYSH-UHFFFAOYSA-N	0	0	520.586	3.264	50	0		KGAARN
CCOc1ccc(NC(=O)Cn2c3sc4c(c3c(=O)n(CCc3ccccc3)c2=O)CCN(C(C)=O)C4)cc1	ZINC000008604622	553097759	/nfs/dbraw/zinc/09/77/59/553097759.db2.gz	VLRMMHYVTWPNEZ-UHFFFAOYSA-N	0	0	546.649	3.409	50	0		KGAARN
COc1cccc(NC(=O)Cn2c3sc4c(c3c(=O)n(CCc3ccccc3)c2=O)CCN(C(C)=O)C4)c1	ZINC000008604651	553097766	/nfs/dbraw/zinc/09/77/66/553097766.db2.gz	PUUZNJCGLDTJOP-UHFFFAOYSA-N	0	0	532.622	3.019	50	0		KGAARN
COc1ccccc1NC(=O)Cn1c2sc3c(c2c(=O)n(CCc2ccccc2)c1=O)CCN(C(C)=O)C3	ZINC000008604653	553097780	/nfs/dbraw/zinc/09/77/80/553097780.db2.gz	HYZJGZUYHKVYDN-UHFFFAOYSA-N	0	0	532.622	3.019	50	0		KGAARN
CC(=O)N1CCc2c(sc3c2c(=O)n(CCc2ccccc2)c(=O)n3CC(=O)Nc2ccccc2F)C1	ZINC000008604654	553097790	/nfs/dbraw/zinc/09/77/90/553097790.db2.gz	LLLFGVHORXQIPS-UHFFFAOYSA-N	0	0	520.586	3.150	50	0		KGAARN
CC(=O)N1CCc2c(sc3c2c(=O)n(CCc2ccccc2)c(=O)n3CC(=O)Nc2ccc(C)c(F)c2)C1	ZINC000008604655	553097957	/nfs/dbraw/zinc/09/79/57/553097957.db2.gz	SUTPIRHUXYXAFO-UHFFFAOYSA-N	0	0	534.613	3.458	50	0		KGAARN
CC(=O)c1cccc(-n2c(=O)c3c4c(sc3n(CC(=O)c3ccccc3)c2=O)CN(C(C)=O)CC4)c1	ZINC000008604682	553097934	/nfs/dbraw/zinc/09/79/34/553097934.db2.gz	HEOAHSUXRSOGGG-UHFFFAOYSA-N	0	0	501.564	3.204	50	0		KGAARN
CC(=O)c1cccc(-n2c(=O)c3c4c(sc3n(CC(=O)Nc3ccccc3F)c2=O)CN(C(C)=O)CC4)c1	ZINC000008604690	553097938	/nfs/dbraw/zinc/09/79/38/553097938.db2.gz	ZVDPTEKESRZQNK-UHFFFAOYSA-N	0	0	534.569	3.099	50	0		KGAARN
COc1ccc(-n2c(=O)c3c4c(sc3n(Cc3ccc(F)cc3)c2=O)CN(C(C)=O)CC4)c(OC)c1	ZINC000008604717	553097991	/nfs/dbraw/zinc/09/79/91/553097991.db2.gz	BLMPDRSUZNIAGX-UHFFFAOYSA-N	0	0	509.559	3.323	50	0		KGAARN
COc1ccc(CCn2c(=O)c3cccnc3n(CC(=O)Nc3c(C)cc(C)cc3C)c2=O)cc1OC	ZINC000008604905	553097901	/nfs/dbraw/zinc/09/79/01/553097901.db2.gz	GRROFWUPDDETGG-UHFFFAOYSA-N	0	0	502.571	3.382	50	0		KGAARN
CN(C)S(=O)(=O)n1cc(/C=C(\NC(=O)c2ccccc2Cl)C(=O)NCCCn2ccnc2)c2ccccc21	ZINC000008606490	553098506	/nfs/dbraw/zinc/09/85/06/553098506.db2.gz	GODCVVYKNQBKOV-KQWNVCNZSA-N	0	0	555.060	3.123	50	0		KGAARN
CCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)N1CCC(C(=O)N2CCN(c3ccc(Cl)cc3)CC2)CC1	ZINC000008607825	553099015	/nfs/dbraw/zinc/09/90/15/553099015.db2.gz	LXSRPELMIURKAL-UHFFFAOYSA-N	0	0	537.082	3.211	50	0		KGAARN
CCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)N1CCC(C(=O)N2CCN(c3cccc(Cl)c3)CC2)CC1	ZINC000008607837	553098909	/nfs/dbraw/zinc/09/89/09/553098909.db2.gz	LNZZJWJUISBJMF-UHFFFAOYSA-N	0	0	537.082	3.211	50	0		KGAARN
CCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)N1CCC(C(=O)N2CCN(c3cccc(C)c3C)CC2)CC1	ZINC000008607841	553098955	/nfs/dbraw/zinc/09/89/55/553098955.db2.gz	GIDDINHJTQXZEA-UHFFFAOYSA-N	0	0	530.691	3.175	50	0		KGAARN
CCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)N1CCC(C(=O)N2CCN(c3cc(C)ccc3C)CC2)CC1	ZINC000008607846	553098977	/nfs/dbraw/zinc/09/89/77/553098977.db2.gz	WJUWXKHTUVEBGU-UHFFFAOYSA-N	0	0	530.691	3.175	50	0		KGAARN
CCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)N1CCC(C(=O)N2CCN(c3cccc(C)c3)[C@H](C)C2)CC1	ZINC000008607887	553098918	/nfs/dbraw/zinc/09/89/18/553098918.db2.gz	BDUXRJBKYOZUJX-LJQANCHMSA-N	0	0	530.691	3.255	50	0		KGAARN
CCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)N1CCC(C(=O)N2CCN(c3cccc(C)c3)[C@@H](C)C2)CC1	ZINC000008607890	553099359	/nfs/dbraw/zinc/09/93/59/553099359.db2.gz	BDUXRJBKYOZUJX-IBGZPJMESA-N	0	0	530.691	3.255	50	0		KGAARN
CCOC(=O)c1c(C)n(C)c(C)c1S(=O)(=O)N1CCC(C(=O)N2CCN(c3cccc(C)c3C)CC2)CC1	ZINC000008607952	553099347	/nfs/dbraw/zinc/09/93/47/553099347.db2.gz	XPEORTNFCIDFRV-UHFFFAOYSA-N	0	0	544.718	3.185	50	0		KGAARN
CCOC(=O)c1c(C)n(C)c(C)c1S(=O)(=O)N1CCC(C(=O)N2CCN(c3cc(C)ccc3C)CC2)CC1	ZINC000008607953	553099326	/nfs/dbraw/zinc/09/93/26/553099326.db2.gz	YXTFXDWGWGOLJJ-UHFFFAOYSA-N	0	0	544.718	3.185	50	0		KGAARN
CCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)N1CCC[C@H](C(=O)N2CCN(c3ccc(Cl)cc3)CC2)C1	ZINC000008608005	553099350	/nfs/dbraw/zinc/09/93/50/553099350.db2.gz	UIBLUMXWRAMSAZ-IBGZPJMESA-N	0	0	537.082	3.211	50	0		KGAARN
CCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)N2CCN(c3ccc(Cl)cc3)CC2)C1	ZINC000008608006	553099331	/nfs/dbraw/zinc/09/93/31/553099331.db2.gz	UIBLUMXWRAMSAZ-LJQANCHMSA-N	0	0	537.082	3.211	50	0		KGAARN
CCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)N1CCC[C@H](C(=O)N2CCN(c3cccc(Cl)c3)CC2)C1	ZINC000008608013	553099342	/nfs/dbraw/zinc/09/93/42/553099342.db2.gz	OKRQSXZWIRCGHG-IBGZPJMESA-N	0	0	537.082	3.211	50	0		KGAARN
CCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)N2CCN(c3cccc(Cl)c3)CC2)C1	ZINC000008608015	553099352	/nfs/dbraw/zinc/09/93/52/553099352.db2.gz	OKRQSXZWIRCGHG-LJQANCHMSA-N	0	0	537.082	3.211	50	0		KGAARN
CCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)N1CCC[C@H](C(=O)N2CCN(c3cccc(C)c3C)CC2)C1	ZINC000008608047	553099338	/nfs/dbraw/zinc/09/93/38/553099338.db2.gz	OSTPAVBJABOCNZ-QFIPXVFZSA-N	0	0	530.691	3.175	50	0		KGAARN
CCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)N2CCN(c3cccc(C)c3C)CC2)C1	ZINC000008608048	553099351	/nfs/dbraw/zinc/09/93/51/553099351.db2.gz	OSTPAVBJABOCNZ-JOCHJYFZSA-N	0	0	530.691	3.175	50	0		KGAARN
CCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)N1CCC[C@H](C(=O)N2CCN(c3cc(C)ccc3C)CC2)C1	ZINC000008608051	553099362	/nfs/dbraw/zinc/09/93/62/553099362.db2.gz	PEANIFZFOYGPTR-QFIPXVFZSA-N	0	0	530.691	3.175	50	0		KGAARN
CCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)N2CCN(c3cc(C)ccc3C)CC2)C1	ZINC000008608053	553099336	/nfs/dbraw/zinc/09/93/36/553099336.db2.gz	PEANIFZFOYGPTR-JOCHJYFZSA-N	0	0	530.691	3.175	50	0		KGAARN
CCOC(=O)c1c(C)n(C)c(C)c1S(=O)(=O)N1CCC[C@H](C(=O)N2CCN(c3cccc(C)c3C)CC2)C1	ZINC000008608125	553099355	/nfs/dbraw/zinc/09/93/55/553099355.db2.gz	WMDNWQBNDNWXPJ-QHCPKHFHSA-N	0	0	544.718	3.185	50	0		KGAARN
CCOC(=O)c1c(C)n(C)c(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)N2CCN(c3cccc(C)c3C)CC2)C1	ZINC000008608127	553099354	/nfs/dbraw/zinc/09/93/54/553099354.db2.gz	WMDNWQBNDNWXPJ-HSZRJFAPSA-N	0	0	544.718	3.185	50	0		KGAARN
CCOC(=O)c1c(C)n(C)c(C)c1S(=O)(=O)N1CCC[C@H](C(=O)N2CCN(c3cc(C)ccc3C)CC2)C1	ZINC000008608132	553099358	/nfs/dbraw/zinc/09/93/58/553099358.db2.gz	SEHCKBURNFRRTP-QHCPKHFHSA-N	0	0	544.718	3.185	50	0		KGAARN
CCOC(=O)c1c(C)n(C)c(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)N2CCN(c3cc(C)ccc3C)CC2)C1	ZINC000008608134	553099349	/nfs/dbraw/zinc/09/93/49/553099349.db2.gz	SEHCKBURNFRRTP-HSZRJFAPSA-N	0	0	544.718	3.185	50	0		KGAARN
COC(=O)c1ccc2c(c1)[nH]c(=O)n(CCCCCC(=O)N1CCN(c3cc(C)ccc3C)CC1)c2=O	ZINC000008608194	553099477	/nfs/dbraw/zinc/09/94/77/553099477.db2.gz	XVTFECYYDKXFJQ-UHFFFAOYSA-N	0	0	506.603	3.002	50	0		KGAARN
COC(=O)c1ccc2c(c1)[nH]c(=O)n(CCCCCC(=O)N1CCN(c3cccc(C)c3C)CC1)c2=O	ZINC000008608200	553099483	/nfs/dbraw/zinc/09/94/83/553099483.db2.gz	YIJXELYTXKYINB-UHFFFAOYSA-N	0	0	506.603	3.002	50	0		KGAARN
COC(=O)c1ccc2c(c1)[nH]c(=O)n(CCCCCC(=O)N1CCN(c3ccc(Cl)cc3)CC1)c2=O	ZINC000008608206	553099422	/nfs/dbraw/zinc/09/94/22/553099422.db2.gz	UOALHHZGOQHHAZ-UHFFFAOYSA-N	0	0	512.994	3.039	50	0		KGAARN
COC(=O)c1ccc2c(c1)[nH]c(=O)n(CCCCCC(=O)N1CCN(c3cc(Cl)ccc3C)CC1)c2=O	ZINC000008608241	553099528	/nfs/dbraw/zinc/09/95/28/553099528.db2.gz	JIFVRLNIFMLFIB-UHFFFAOYSA-N	0	0	527.021	3.347	50	0		KGAARN
CCOc1cc2[nH]c(=O)n(Cc3ccc(C(=O)N4CCN(c5ccccc5)CC4)cc3)c(=O)c2cc1OCC	ZINC000008608307	553099460	/nfs/dbraw/zinc/09/94/60/553099460.db2.gz	VOUUGKKHTHZMAA-UHFFFAOYSA-N	0	0	528.609	3.498	50	0		KGAARN
CCOc1cc2[nH]c(=O)n(CCCC(=O)N3CCN(c4cccc(Cl)c4)CC3)c(=O)c2cc1OCC	ZINC000008608323	553099445	/nfs/dbraw/zinc/09/94/45/553099445.db2.gz	SFJIGWZKIOQESZ-UHFFFAOYSA-N	0	0	515.010	3.270	50	0		KGAARN
CCOC(=O)c1ccccc1NC(=O)COC(=O)CC(C)(C)CC1=NS(=O)(=O)c2ccccc2N1	ZINC000008608469	553099808	/nfs/dbraw/zinc/09/98/08/553099808.db2.gz	KTTAAYKJZXFXRQ-UHFFFAOYSA-N	0	0	501.561	3.364	50	0		KGAARN
COc1cccc(N2C(=O)N(CC(=O)NCc3cccc(OC)c3OC)c3ccccc3S2(=O)=O)c1	ZINC000008608678	553099813	/nfs/dbraw/zinc/09/98/13/553099813.db2.gz	VXBOTCADJYNXMH-UHFFFAOYSA-N	0	0	511.556	3.164	50	0		KGAARN
CCCCNC(=O)CC[C@H]1N=C2c3ccccc3N=C(SCC(=O)NCCc3ccc(OC)c(OC)c3)N2C1=O	ZINC000008608719	553099779	/nfs/dbraw/zinc/09/97/79/553099779.db2.gz	VXQLOQJVIDKNJZ-JOCHJYFZSA-N	0	0	565.696	3.451	50	0		KGAARN
CCCCNC(=O)CC[C@@H]1N=C2c3ccccc3N=C(SCC(=O)NCCc3ccc(OC)c(OC)c3)N2C1=O	ZINC000008608722	553099815	/nfs/dbraw/zinc/09/98/15/553099815.db2.gz	VXQLOQJVIDKNJZ-QFIPXVFZSA-N	0	0	565.696	3.451	50	0		KGAARN
CCCCNC(=O)CSC1=Nc2ccccc2C2=N[C@H](CCC(=O)NCc3ccccc3OC)C(=O)N21	ZINC000008608879	553100005	/nfs/dbraw/zinc/10/00/05/553100005.db2.gz	NISORQRVRAVGRK-OAQYLSRUSA-N	0	0	521.643	3.400	50	0		KGAARN
CCCCNC(=O)CSC1=Nc2ccccc2C2=N[C@@H](CCC(=O)NCc3ccccc3OC)C(=O)N21	ZINC000008608881	553100002	/nfs/dbraw/zinc/10/00/02/553100002.db2.gz	NISORQRVRAVGRK-NRFANRHFSA-N	0	0	521.643	3.400	50	0		KGAARN
COc1ccc(OC)c(NC(=O)CSC2=Nc3ccccc3C3=N[C@H](CC(=O)NCc4ccc5c(c4)OCO5)C(=O)N32)c1	ZINC000008608944	553100056	/nfs/dbraw/zinc/10/00/56/553100056.db2.gz	GATJYJFJFPZNRN-JOCHJYFZSA-N	0	0	601.641	3.469	50	0		KGAARN
COc1ccc(OC)c(NC(=O)CSC2=Nc3ccccc3C3=N[C@@H](CC(=O)NCc4ccc5c(c4)OCO5)C(=O)N32)c1	ZINC000008608947	553100036	/nfs/dbraw/zinc/10/00/36/553100036.db2.gz	GATJYJFJFPZNRN-QFIPXVFZSA-N	0	0	601.641	3.469	50	0		KGAARN
CCc1ccc(NC(=O)Cn2cnc3sc(C)c(S(=O)(=O)N4CCN(c5ccccc5OC)CC4)c3c2=O)cc1	ZINC000008609372	553100158	/nfs/dbraw/zinc/10/01/58/553100158.db2.gz	YFSBPUKVSAEUNL-UHFFFAOYSA-N	0	0	581.720	3.487	50	0		KGAARN
C=C1C(N2CCC(C(=O)N3CCC(C(=O)OCC)CC3)CC2)=NS(=O)(=O)C1c1ccc(C)c(C)c1	ZINC000008610008	553100768	/nfs/dbraw/zinc/10/07/68/553100768.db2.gz	FDBXGJUEVINYAJ-UHFFFAOYSA-N	0	0	501.649	3.290	50	0		KGAARN
CCOC(=O)[C@@H]1CCCN(C(=O)C2CCN(S(=O)(=O)c3c(C)noc3/C=C/c3ccccc3F)CC2)C1	ZINC000008610519	553101285	/nfs/dbraw/zinc/10/12/85/553101285.db2.gz	DAGRFVVUZCVUCG-RQWLHQTBSA-N	0	0	533.622	3.495	50	0		KGAARN
CCOC(=O)[C@H]1CCCN(C(=O)C2CCN(S(=O)(=O)c3c(C)noc3/C=C/c3ccccc3F)CC2)C1	ZINC000008610521	553101201	/nfs/dbraw/zinc/10/12/01/553101201.db2.gz	DAGRFVVUZCVUCG-ZJVMWOEPSA-N	0	0	533.622	3.495	50	0		KGAARN
O=c1[nH]c([C@H]2CCCN(S(=O)(=O)c3ccccc3)C2)nc2c1nnn2Cc1ccccc1Br	ZINC000008611570	553101426	/nfs/dbraw/zinc/10/14/26/553101426.db2.gz	HOBHLDAHLNSSSR-INIZCTEOSA-N	0	0	529.420	3.306	50	0		KGAARN
O=c1[nH]c([C@@H]2CCCN(S(=O)(=O)c3ccccc3)C2)nc2c1nnn2Cc1ccccc1Br	ZINC000008611572	553101337	/nfs/dbraw/zinc/10/13/37/553101337.db2.gz	HOBHLDAHLNSSSR-MRXNPFEDSA-N	0	0	529.420	3.306	50	0		KGAARN
O=c1[nH]c([C@H]2CCCN(S(=O)(=O)c3ccccc3)C2)nc2c1nnn2Cc1ccc(OC(F)(F)F)cc1	ZINC000008612792	553101776	/nfs/dbraw/zinc/10/17/76/553101776.db2.gz	LHXPOJCNIPMOTM-INIZCTEOSA-N	0	0	534.520	3.442	50	0		KGAARN
O=c1[nH]c([C@@H]2CCCN(S(=O)(=O)c3ccccc3)C2)nc2c1nnn2Cc1ccc(OC(F)(F)F)cc1	ZINC000008612796	553101788	/nfs/dbraw/zinc/10/17/88/553101788.db2.gz	LHXPOJCNIPMOTM-MRXNPFEDSA-N	0	0	534.520	3.442	50	0		KGAARN
CC(=O)N1CCCc2cc(S(=O)(=O)N3CCC[C@@H](C(=O)N4CCN(c5cccc(Cl)c5)CC4)C3)ccc21	ZINC000008614692	553102175	/nfs/dbraw/zinc/10/21/75/553102175.db2.gz	GCGLMEPNMONLFI-JOCHJYFZSA-N	0	0	545.105	3.389	50	0		KGAARN
CC(=O)N1CCCc2cc(S(=O)(=O)N3CCC[C@H](C(=O)N4CCN(c5cc(C)ccc5C)CC4)C3)ccc21	ZINC000008614693	553102150	/nfs/dbraw/zinc/10/21/50/553102150.db2.gz	JREBEVAYBQMJDL-VWLOTQADSA-N	0	0	538.714	3.352	50	0		KGAARN
COC(=O)c1sccc1NC(=O)C[C@@H]1C(=O)NCCN1C(=O)Nc1ccc(OCc2ccccc2)cc1	ZINC000008636597	553105104	/nfs/dbraw/zinc/10/51/04/553105104.db2.gz	YAXVLOOCAXNWOG-OAQYLSRUSA-N	0	0	522.583	3.475	50	0		KGAARN
COC(=O)c1sccc1NC(=O)C[C@H]1C(=O)NCCN1C(=O)Nc1ccc(OCc2ccccc2)cc1	ZINC000008636598	553105136	/nfs/dbraw/zinc/10/51/36/553105136.db2.gz	YAXVLOOCAXNWOG-NRFANRHFSA-N	0	0	522.583	3.475	50	0		KGAARN
CCCCN1Cc2c(n(CC(=O)Nc3ccc4c(c3)OCCO4)c3cc(-c4ccccc4)nn3c2=O)C1=O	ZINC000008636659	553105166	/nfs/dbraw/zinc/10/51/66/553105166.db2.gz	LZJIGLWTMVIJQP-UHFFFAOYSA-N	0	0	513.554	3.329	50	0		KGAARN
NS(=O)(=O)c1ccc(N(S(=O)(=O)c2cccc(Cl)c2)S(=O)(=O)c2cccc(Cl)c2)cc1	ZINC000008636814	553105478	/nfs/dbraw/zinc/10/54/78/553105478.db2.gz	IQMNCLXFEUVYNG-UHFFFAOYSA-N	0	0	521.425	3.225	50	0		KGAARN
CCOC(=O)Cc1csc(NC(=O)CSc2nnc(SCC(=O)Nc3nc(CC(=O)OCC)cs3)s2)n1	ZINC000008647967	553106509	/nfs/dbraw/zinc/10/65/09/553106509.db2.gz	DRWRJLAPCLYKCX-UHFFFAOYSA-N	0	0	602.767	3.124	50	0		KGAARN
O=S(=O)(N[C@H]1CCS(=O)(=O)C1)c1ccc(-c2ccc(S(=O)(=O)c3ccc(Cl)cc3)cc2)cc1	ZINC000008647975	553106525	/nfs/dbraw/zinc/10/65/25/553106525.db2.gz	RTZIJOKGKGBTAB-IBGZPJMESA-N	0	0	526.057	3.305	50	0		KGAARN
COc1cccc(NC(=O)Cn2c3ccccc3c(=O)n(CCCCC(=O)NCc3ccc4c(c3)OCO4)c2=O)c1	ZINC000008648278	553106814	/nfs/dbraw/zinc/10/68/14/553106814.db2.gz	RKQPTNNJLQRNFL-UHFFFAOYSA-N	0	0	558.591	3.026	50	0		KGAARN
CCOc1ccc(CCNC(=O)c2cn(C)c3ccc(S(=O)(=O)N4CCCCC4)cc3c2=O)cc1OCC	ZINC000008654509	553108305	/nfs/dbraw/zinc/10/83/05/553108305.db2.gz	GSHNDBUKJJNEDQ-UHFFFAOYSA-N	0	0	541.670	3.483	50	0		KGAARN
CSc1ccc(CCNC(=O)CN2C(=O)COc3ccc(S(=O)(=O)N4CCCCCC4)cc32)cc1	ZINC000008654540	553108229	/nfs/dbraw/zinc/10/82/29/553108229.db2.gz	VKZHQIFEGRJKMQ-UHFFFAOYSA-N	0	0	517.673	3.058	50	0		KGAARN
CCN(c1ccc(NC(=O)COC(=O)c2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)cc1)C(C)C	ZINC000008665034	553109260	/nfs/dbraw/zinc/10/92/60/553109260.db2.gz	LVQOTQPIHZLUKD-UHFFFAOYSA-N	0	0	503.621	3.046	50	0		KGAARN
COc1ccc(S(=O)(=O)N(c2onc(C)c2Cl)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1OC	ZINC000008670236	553109907	/nfs/dbraw/zinc/10/99/07/553109907.db2.gz	NWQZLKREAYTGBG-UHFFFAOYSA-N	0	0	532.980	3.255	50	0		KGAARN
CCOC(=O)[C@@H]1CCCN(S(=O)(=O)c2cc(OCC(=O)NC3CCCCC3)c(C)cc2Cl)C1	ZINC000008670532	553109933	/nfs/dbraw/zinc/10/99/33/553109933.db2.gz	VCOLOLNVBBVUIG-QGZVFWFLSA-N	0	0	501.045	3.440	50	0		KGAARN
CCOC(=O)[C@H]1CCCN(S(=O)(=O)c2cc(OCC(=O)NC3CCCCC3)c(C)cc2Cl)C1	ZINC000008670533	553109989	/nfs/dbraw/zinc/10/99/89/553109989.db2.gz	VCOLOLNVBBVUIG-KRWDZBQOSA-N	0	0	501.045	3.440	50	0		KGAARN
O=C(NCCCN1CCCC1=O)c1cc(NS(=O)(=O)c2ccc(F)cc2)cc(NS(=O)(=O)c2ccc(F)cc2)c1	ZINC000008670841	553110304	/nfs/dbraw/zinc/11/03/04/553110304.db2.gz	LMLBSHJRVFFUOI-UHFFFAOYSA-N	0	0	592.646	3.309	50	0		KGAARN
O=C(Nc1ccccc1)c1ccc(N2CCN(c3ccccc3)CC2)c(S(=O)(=O)N2CCOCC2)c1	ZINC000008670854	553110255	/nfs/dbraw/zinc/11/02/55/553110255.db2.gz	JIUNSQSZVBSCBS-UHFFFAOYSA-N	0	0	506.628	3.286	50	0		KGAARN
CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(C)=O	ZINC000008670894	553110205	/nfs/dbraw/zinc/11/02/05/553110205.db2.gz	CZJPBNYEJUBUTE-DEOSSOPVSA-N	0	0	552.628	3.031	50	0		KGAARN
CCC(=O)Nc1cc(-c2nn(CC(=O)N3CCCCC3)c(=O)c3ccccc32)ccc1N1CCOCC1	ZINC000008670926	553110279	/nfs/dbraw/zinc/11/02/79/553110279.db2.gz	WHDFSDCIHWVRKL-UHFFFAOYSA-N	0	0	503.603	3.261	50	0		KGAARN
COc1ccc(CC(=O)Nc2nnc(SCc3ccccc3)s2)cc1S(=O)(=O)N1CCOCC1	ZINC000008671295	553110433	/nfs/dbraw/zinc/11/04/33/553110433.db2.gz	RCZUGEBVBMWWLZ-UHFFFAOYSA-N	0	0	520.658	3.041	50	0		KGAARN
COc1ccc(N(CC(=O)Nc2ccccc2C(=O)NCCc2ccccc2)S(C)(=O)=O)cc1OC	ZINC000008671559	553110474	/nfs/dbraw/zinc/11/04/74/553110474.db2.gz	HXQOXJYUVUFYTO-UHFFFAOYSA-N	0	0	511.600	3.081	50	0		KGAARN
Nn1cc(-c2ccccc2)nc1SCC(=O)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1	ZINC000008671587	553110481	/nfs/dbraw/zinc/11/04/81/553110481.db2.gz	MCKJAIWOTXICGW-UHFFFAOYSA-N	0	0	507.641	3.042	50	0	aggregator	KGAARN
CCOC(=O)COc1ccc(Br)cc1[C@H]1NC(=O)NC(C)=C1C(=O)NCc1ccccc1	ZINC000008672181	553110388	/nfs/dbraw/zinc/11/03/88/553110388.db2.gz	GHIGXSDRABJWKN-OAQYLSRUSA-N	0	0	502.365	3.335	50	0		KGAARN
CCOC(=O)COc1ccc(Br)cc1[C@@H]1NC(=O)NC(C)=C1C(=O)NCc1ccccc1	ZINC000008672182	553110362	/nfs/dbraw/zinc/11/03/62/553110362.db2.gz	GHIGXSDRABJWKN-NRFANRHFSA-N	0	0	502.365	3.335	50	0		KGAARN
COc1ccc(S(=O)(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)cc1	ZINC000008672431	553110763	/nfs/dbraw/zinc/11/07/63/553110763.db2.gz	BRLXVACIWXCCKZ-QXWFJRNPSA-N	0	0	507.052	3.392	50	0		KGAARN
CCOC(=O)[C@@H](Cc1ccc(NC(=O)/C(=C/c2ccc(OC(C)=O)cc2)NC(C)=O)cc1)N1C(=O)c2ccccc2C1=O	ZINC000008672711	553110851	/nfs/dbraw/zinc/11/08/51/553110851.db2.gz	DKXZTQMNGUHVLK-VBSNSAIWSA-N	0	0	583.597	3.498	50	0	biogenic	KGAARN
CCOC(=O)[C@H](Cc1ccc(NC(=O)/C(=C/c2ccc(OC(C)=O)cc2)NC(C)=O)cc1)N1C(=O)c2ccccc2C1=O	ZINC000008672712	553110835	/nfs/dbraw/zinc/11/08/35/553110835.db2.gz	DKXZTQMNGUHVLK-WAWVYTBHSA-N	0	0	583.597	3.498	50	0	biogenic	KGAARN
CCCCNC(=O)CSc1nc2cc3c(cc2c(=O)n1CCCC(=O)NCc1ccc(OC)cc1)OCO3	ZINC000008673582	553111021	/nfs/dbraw/zinc/11/10/21/553111021.db2.gz	JNXZVYZRRYBVQA-UHFFFAOYSA-N	0	0	540.642	3.239	50	0		KGAARN
CC[C@H](Sc1nc2cc3c(cc2c(=O)n1CCCC(=O)NCc1ccc(OC)cc1)OCO3)C(=O)NCCCOC	ZINC000008673590	553110952	/nfs/dbraw/zinc/11/09/52/553110952.db2.gz	CWDWLTKNVCKHES-VWLOTQADSA-N	0	0	584.695	3.254	50	0		KGAARN
CC[C@@H](Sc1nc2cc3c(cc2c(=O)n1CCCC(=O)NCc1ccc(OC)cc1)OCO3)C(=O)NCCCOC	ZINC000008673593	553111000	/nfs/dbraw/zinc/11/10/00/553111000.db2.gz	CWDWLTKNVCKHES-RUZDIDTESA-N	0	0	584.695	3.254	50	0		KGAARN
CCCCNC(=O)CSc1nc2cc3c(cc2c(=O)n1CCCC(=O)NCCc1ccc(OC)c(OC)c1)OCO3	ZINC000008673675	553111249	/nfs/dbraw/zinc/11/12/49/553111249.db2.gz	VYKUCCFYPSKMFU-UHFFFAOYSA-N	0	0	584.695	3.290	50	0		KGAARN
CC[C@@H](C)NC(=O)CSc1nc2cc3c(cc2c(=O)n1CCCC(=O)NCCc1ccc(OC)c(OC)c1)OCO3	ZINC000008673677	553111239	/nfs/dbraw/zinc/11/12/39/553111239.db2.gz	IWYZYZMFVJJFEB-GOSISDBHSA-N	0	0	584.695	3.288	50	0		KGAARN
CC[C@H](C)NC(=O)CSc1nc2cc3c(cc2c(=O)n1CCCC(=O)NCCc1ccc(OC)c(OC)c1)OCO3	ZINC000008673679	553111230	/nfs/dbraw/zinc/11/12/30/553111230.db2.gz	IWYZYZMFVJJFEB-SFHVURJKSA-N	0	0	584.695	3.288	50	0		KGAARN
COCCCNC(=O)CSc1nc2cc3c(cc2c(=O)n1CCCCCC(=O)NCc1ccc(OC)cc1)OCO3	ZINC000008673714	553111226	/nfs/dbraw/zinc/11/12/26/553111226.db2.gz	IYEIHUNADCLXLM-UHFFFAOYSA-N	0	0	584.695	3.255	50	0		KGAARN
CCOC(=O)CSc1nc2cc3c(cc2c(=O)n1CCCCCC(=O)NCc1ccc2c(c1)OCO2)OCO3	ZINC000008673717	553111268	/nfs/dbraw/zinc/11/12/68/553111268.db2.gz	XLWMGOWTLNETOP-UHFFFAOYSA-N	0	0	555.609	3.386	50	0		KGAARN
COCCCNC(=O)CSc1nc2cc3c(cc2c(=O)n1CCCCCC(=O)NCCc1ccc(OC)c(OC)c1)OCO3	ZINC000008673769	553111509	/nfs/dbraw/zinc/11/15/09/553111509.db2.gz	LDNFJNJQWCKMOL-UHFFFAOYSA-N	0	0	628.748	3.307	50	0		KGAARN
CC(=O)N1CCc2c(sc3c2c(=O)n(-c2ccccc2)c(=O)n3CC(=O)Nc2cc(C)cc(C)c2)C1	ZINC000008673789	553111470	/nfs/dbraw/zinc/11/14/70/553111470.db2.gz	JJILIIDBZSQTKH-UHFFFAOYSA-N	0	0	502.596	3.374	50	0		KGAARN
COCCNC(=O)CSc1nc2cc3c(cc2c(=O)n1Cc1ccc(C(=O)NCCc2ccc(OC)c(OC)c2)cc1)OCO3	ZINC000008673814	553111552	/nfs/dbraw/zinc/11/15/52/553111552.db2.gz	KLNDBLCHRABFLI-UHFFFAOYSA-N	0	0	634.711	3.018	50	0		KGAARN
CC[C@H](Sc1nc2cc(OC)c(OC)cc2c(=O)n1Cc1ccc(OC)cc1)C(=O)NCCOC	ZINC000008673820	553111531	/nfs/dbraw/zinc/11/15/31/553111531.db2.gz	YQSJMNDKZAFEKG-QFIPXVFZSA-N	0	0	501.605	3.104	50	0		KGAARN
CC[C@@H](Sc1nc2cc(OC)c(OC)cc2c(=O)n1Cc1ccc(OC)cc1)C(=O)NCCOC	ZINC000008673822	553111475	/nfs/dbraw/zinc/11/14/75/553111475.db2.gz	YQSJMNDKZAFEKG-JOCHJYFZSA-N	0	0	501.605	3.104	50	0		KGAARN
CCc1cccc(C)c1NC(=O)[C@@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1	ZINC000008682347	553112614	/nfs/dbraw/zinc/11/26/14/553112614.db2.gz	FTOWVSIRUDJORY-DEOSSOPVSA-N	0	0	527.668	3.260	50	0		KGAARN
CCc1cccc(C)c1NC(=O)[C@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1	ZINC000008682348	553112482	/nfs/dbraw/zinc/11/24/82/553112482.db2.gz	FTOWVSIRUDJORY-XMMPIXPASA-N	0	0	527.668	3.260	50	0		KGAARN
COc1ccc(N(CC(=O)Nc2ccccc2C(=O)N2CCOCC2)S(=O)(=O)c2ccc(F)cc2)cc1	ZINC000008683754	553112846	/nfs/dbraw/zinc/11/28/46/553112846.db2.gz	MSPLJPDGDVFNPG-UHFFFAOYSA-N	0	0	527.574	3.141	50	0		KGAARN
Cc1cccc(NC(=O)CSc2nnc(CNC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)n2-c2ccccc2)c1	ZINC000008684008	553113100	/nfs/dbraw/zinc/11/31/00/553113100.db2.gz	WXMOLCXJASFOBR-UHFFFAOYSA-N	0	0	564.693	3.487	50	0		KGAARN
O=C(COC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1)Nc1ccc(C(F)(F)F)cc1	ZINC000008684405	553113375	/nfs/dbraw/zinc/11/33/75/553113375.db2.gz	WYIBUANCMDYKAR-UHFFFAOYSA-N	0	0	528.505	3.059	50	0		KGAARN
CC(C)(C)c1ccc(/C=C2\SC(=O)N(CCNC(=O)c3cccc(S(=O)(=O)N4CCOCC4)c3)C2=O)cc1	ZINC000008684412	553113468	/nfs/dbraw/zinc/11/34/68/553113468.db2.gz	CWGWZHGKDQAWHG-QJOMJCCJSA-N	0	0	557.694	3.471	50	0		KGAARN
COc1cc(C(=O)NCc2nnc(SCC(=O)Nc3nc4ccccc4s3)o2)cc(OC)c1OC	ZINC000008684471	553113471	/nfs/dbraw/zinc/11/34/71/553113471.db2.gz	DPFNMJVRPSAFHI-UHFFFAOYSA-N	0	0	515.573	3.366	50	0		KGAARN
CC(C)CN(C(=O)COC(=O)c1ccccc1SCC(=O)NC1CCCCCC1)[C@@H]1CCS(=O)(=O)C1	ZINC000008684885	553113678	/nfs/dbraw/zinc/11/36/78/553113678.db2.gz	IPMFSNQGWOFTEH-OAQYLSRUSA-N	0	0	538.732	3.446	50	0		KGAARN
CC(C)CN(C(=O)COC(=O)c1ccccc1SCC(=O)NC1CCCCCC1)[C@H]1CCS(=O)(=O)C1	ZINC000008684887	553113662	/nfs/dbraw/zinc/11/36/62/553113662.db2.gz	IPMFSNQGWOFTEH-NRFANRHFSA-N	0	0	538.732	3.446	50	0		KGAARN
CCOc1cc(C(=O)O[C@@H](C)C(=O)Nc2ncc(Cl)cc2Cl)ccc1OCC(=O)N1CCOCC1	ZINC000008685015	553113699	/nfs/dbraw/zinc/11/36/99/553113699.db2.gz	IKHNAMCEAOYYEF-AWEZNQCLSA-N	0	0	526.373	3.209	50	0		KGAARN
CCOc1cc(C(=O)O[C@H](C)C(=O)Nc2ncc(Cl)cc2Cl)ccc1OCC(=O)N1CCOCC1	ZINC000008685016	553113634	/nfs/dbraw/zinc/11/36/34/553113634.db2.gz	IKHNAMCEAOYYEF-CQSZACIVSA-N	0	0	526.373	3.209	50	0		KGAARN
COc1ccc(-c2csc(NC(=O)c3ccc(OCC(=O)N4CCOCC4)c(OC)c3)n2)cc1OC	ZINC000008685139	553113960	/nfs/dbraw/zinc/11/39/60/553113960.db2.gz	KWQWGMHYHQVZIL-UHFFFAOYSA-N	0	0	513.572	3.326	50	0		KGAARN
CCOc1ccc(OCc2nnc(SCC(=O)N[C@@H]3CCS(=O)(=O)C3)n2-c2ccc(Cl)cc2)cc1	ZINC000008685293	553114008	/nfs/dbraw/zinc/11/40/08/553114008.db2.gz	NKWPLLSQCFEXET-QGZVFWFLSA-N	0	0	537.063	3.294	50	0		KGAARN
CCOc1ccc(OCc2nnc(SCC(=O)N[C@H]3CCS(=O)(=O)C3)n2-c2ccc(Cl)cc2)cc1	ZINC000008685294	553114005	/nfs/dbraw/zinc/11/40/05/553114005.db2.gz	NKWPLLSQCFEXET-KRWDZBQOSA-N	0	0	537.063	3.294	50	0		KGAARN
O=C(CSc1nnc(-c2ccc(Br)cc2)n1CCc1ccccc1)N[C@H]1CCS(=O)(=O)C1	ZINC000008685311	553114208	/nfs/dbraw/zinc/11/42/08/553114208.db2.gz	NNJCPZBFHDYVHY-IBGZPJMESA-N	0	0	535.489	3.346	50	0		KGAARN
COc1ccc(C=C2CCCc3c2nc2ccccc2c3C(=O)OCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)cc1	ZINC000008685314	553114260	/nfs/dbraw/zinc/11/42/60/553114260.db2.gz	LABXESQNCMBGTK-OBGWFSINSA-N	0	0	540.576	3.140	50	0		KGAARN
CCN(C(=O)COC(=O)c1ccccc1SCC(=O)NC1CCCCCCC1)[C@@H]1CCS(=O)(=O)C1	ZINC000008685463	553114187	/nfs/dbraw/zinc/11/41/87/553114187.db2.gz	JZPHZVSNCVIYJA-HXUWFJFHSA-N	0	0	524.705	3.200	50	0		KGAARN
CCN(C(=O)COC(=O)c1ccccc1SCC(=O)NC1CCCCCCC1)[C@H]1CCS(=O)(=O)C1	ZINC000008685464	553114204	/nfs/dbraw/zinc/11/42/04/553114204.db2.gz	JZPHZVSNCVIYJA-FQEVSTJZSA-N	0	0	524.705	3.200	50	0		KGAARN
Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)OCC(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2	ZINC000008685502	553114545	/nfs/dbraw/zinc/11/45/45/553114545.db2.gz	SBVDPCVQJWUYEQ-UHFFFAOYSA-N	0	0	517.648	3.121	50	0		KGAARN
CN(C)S(=O)(=O)c1cc(NC(=O)[C@H](Cc2ccccc2)N2C(=O)c3ccccc3C2=O)ccc1Cl	ZINC000008685643	553114596	/nfs/dbraw/zinc/11/45/96/553114596.db2.gz	KSFVOPNUMBVQMI-NRFANRHFSA-N	0	0	511.987	3.436	50	0		KGAARN
CCc1ccc(NC(=O)COC(=O)CCc2nc3cc(S(=O)(=O)N(CC)CC)ccc3n2C)cc1	ZINC000008686213	553115150	/nfs/dbraw/zinc/11/51/50/553115150.db2.gz	ZUIYBBWLZJYODI-UHFFFAOYSA-N	0	0	500.621	3.281	50	0		KGAARN
CCn1cc(C(=O)NCc2cccnc2)c(=O)c2cc(F)c(N3CCN(C(=O)c4ccco4)CC3)cc21	ZINC000008686825	553115800	/nfs/dbraw/zinc/11/58/00/553115800.db2.gz	WSFVEAGQLNHYTR-UHFFFAOYSA-N	0	0	503.534	3.041	50	0		KGAARN
CSCC[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)OCC(=O)NC12CC3CC(CC(C3)C1)C2	ZINC000008687229	553116640	/nfs/dbraw/zinc/11/66/40/553116640.db2.gz	BZWWDMZKTIVDMB-SXYIGIQMSA-N	0	0	515.097	3.368	50	0		KGAARN
O=C(CSc1nnc(CCCN2C(=O)c3cccc4cccc(c43)C2=O)n1-c1ccccc1)NCCCO	ZINC000008687377	553116586	/nfs/dbraw/zinc/11/65/86/553116586.db2.gz	LDAQKTBIKAFQCC-UHFFFAOYSA-N	0	0	529.622	3.240	50	0		KGAARN
Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CSc1nnc2cc(C)c3ccccc3n21	ZINC000008687862	553116815	/nfs/dbraw/zinc/11/68/15/553116815.db2.gz	KAPVEAWAULIGRY-UHFFFAOYSA-N	0	0	511.629	3.251	50	0		KGAARN
COc1ccc(-n2cnnc2SCC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2C)cc1	ZINC000008688006	553117099	/nfs/dbraw/zinc/11/70/99/553117099.db2.gz	LYXQPTQCZFQRJL-UHFFFAOYSA-N	0	0	501.634	3.490	50	0		KGAARN
Cc1ccc(NC(=O)c2cccc(S(=O)(=O)N(C)c3ccccc3)c2)cc1S(=O)(=O)N1CCOCC1	ZINC000008692340	553118008	/nfs/dbraw/zinc/11/80/08/553118008.db2.gz	ONUUAIQVCNDJPM-UHFFFAOYSA-N	0	0	529.640	3.093	50	0		KGAARN
COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)COC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2F)cc1	ZINC000008692424	553118244	/nfs/dbraw/zinc/11/82/44/553118244.db2.gz	MOTQCGSEDIZAMD-MHZLTWQESA-N	0	0	581.622	3.390	50	0		KGAARN
COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)COC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2F)cc1	ZINC000008692427	553118222	/nfs/dbraw/zinc/11/82/22/553118222.db2.gz	MOTQCGSEDIZAMD-HHHXNRCGSA-N	0	0	581.622	3.390	50	0		KGAARN
Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCCN1C(=O)S/C(=C\c2ccccc2Cl)C1=O	ZINC000008692577	553118205	/nfs/dbraw/zinc/11/82/05/553118205.db2.gz	FCJCTMXAYBPIQV-STZFKDTASA-N	0	0	550.058	3.136	50	0		KGAARN
O=C(NCCN1C(=O)S/C(=C\c2ccc(F)cc2)C1=O)C1CCN(S(=O)(=O)c2cccs2)CC1	ZINC000008692749	553118560	/nfs/dbraw/zinc/11/85/60/553118560.db2.gz	ASNMJNULVVLXHD-JXAWBTAJSA-N	0	0	523.633	3.141	50	0		KGAARN
COc1ccc(/C=C2\SC(=O)N(CCNC(=O)C3CCN(S(=O)(=O)c4cccs4)CC3)C2=O)cc1	ZINC000008692754	553118563	/nfs/dbraw/zinc/11/85/63/553118563.db2.gz	UURQSSRIAMUJDP-CYVLTUHYSA-N	0	0	535.669	3.010	50	0		KGAARN
O=C(NCCN1C(=O)S/C(=C\c2ccccc2)C1=O)C1CCN(S(=O)(=O)c2cccs2)CC1	ZINC000008692800	553118580	/nfs/dbraw/zinc/11/85/80/553118580.db2.gz	IYFHVTJKWKVBCO-SDXDJHTJSA-N	0	0	505.643	3.002	50	0		KGAARN
CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)OCC(=O)Nc1cccc(Cl)c1Cl	ZINC000008692828	553118578	/nfs/dbraw/zinc/11/85/78/553118578.db2.gz	ZYRXEUSFTYPCKB-FQEVSTJZSA-N	0	0	517.387	3.249	50	0		KGAARN
O=C(NCc1ccco1)[C@@H](OC(=O)c1ccccc1)[C@H](OC(=O)c1ccccc1)C(=O)NCc1ccco1	ZINC000008693027	553118595	/nfs/dbraw/zinc/11/85/95/553118595.db2.gz	JZPXVJAMVINLFN-ZEQRLZLVSA-N	0	0	516.506	3.256	50	0		KGAARN
O=C(NCc1ccco1)[C@H](OC(=O)c1ccccc1)[C@@H](OC(=O)c1ccccc1)C(=O)NCc1ccco1	ZINC000008693804	553118581	/nfs/dbraw/zinc/11/85/81/553118581.db2.gz	JZPXVJAMVINLFN-DNQXCXABSA-N	0	0	516.506	3.256	50	0		KGAARN
O=C(COC(=O)CC[C@H](NC(=O)OCc1ccccc1)C(=O)OCC(=O)Nc1ccccc1)Nc1ccccc1	ZINC000008693807	553118538	/nfs/dbraw/zinc/11/85/38/553118538.db2.gz	RBOIWCBJNIHPBQ-DEOSSOPVSA-N	0	0	547.564	3.425	50	0		KGAARN
O=C(COC(=O)CC[C@@H](NC(=O)OCc1ccccc1)C(=O)OCC(=O)Nc1ccccc1)Nc1ccccc1	ZINC000008693808	553118593	/nfs/dbraw/zinc/11/85/93/553118593.db2.gz	RBOIWCBJNIHPBQ-XMMPIXPASA-N	0	0	547.564	3.425	50	0		KGAARN
CCN(CC)S(=O)(=O)c1ccc2[nH]c(=O)cc(C(=O)Nc3ccc(C)c(S(=O)(=O)N(CC)CC)c3)c2c1	ZINC000008693924	553118879	/nfs/dbraw/zinc/11/88/79/553118879.db2.gz	PKZYRHFEKYGKNJ-UHFFFAOYSA-N	0	0	548.687	3.150	50	0		KGAARN
Cc1noc(C)c1COc1ccc(C(=O)O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1	ZINC000008693997	553119067	/nfs/dbraw/zinc/11/90/67/553119067.db2.gz	XCUOYJZIARTJNC-IBGZPJMESA-N	0	0	543.598	3.075	50	0		KGAARN
Cc1noc(C)c1COc1ccc(C(=O)O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1	ZINC000008693998	553119062	/nfs/dbraw/zinc/11/90/62/553119062.db2.gz	XCUOYJZIARTJNC-LJQANCHMSA-N	0	0	543.598	3.075	50	0		KGAARN
O=C(COC(=O)C1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1)NCc1ccc(F)cc1	ZINC000008694025	553119150	/nfs/dbraw/zinc/11/91/50/553119150.db2.gz	IDFOBVTYXQNKLI-UHFFFAOYSA-N	0	0	502.486	3.105	50	0		KGAARN
O=C(NCCN1C(=O)S/C(=C\c2ccccc2F)C1=O)C1CCN(S(=O)(=O)c2cccs2)CC1	ZINC000008694039	553119079	/nfs/dbraw/zinc/11/90/79/553119079.db2.gz	GHLQMGPPIZIKKF-JXAWBTAJSA-N	0	0	523.633	3.141	50	0		KGAARN
CCOc1ccc(N2C[C@H](C(=O)NCCN3C(=O)S/C(=C\c4ccc(OC)cc4)C3=O)CC2=O)cc1	ZINC000008694052	553119163	/nfs/dbraw/zinc/11/91/63/553119163.db2.gz	CLEVUAJSJBMNRD-QWQBBLJPSA-N	0	0	509.584	3.300	50	0		KGAARN
CCOc1ccc(N2C[C@@H](C(=O)NCCN3C(=O)S/C(=C\c4ccc(OC)cc4)C3=O)CC2=O)cc1	ZINC000008694053	553119074	/nfs/dbraw/zinc/11/90/74/553119074.db2.gz	CLEVUAJSJBMNRD-GFHXCNCHSA-N	0	0	509.584	3.300	50	0		KGAARN
COc1ccc(-c2nnc(SCC(=O)Nc3cc(S(=O)(=O)N4CCCCC4)ccc3Cl)n2N)cc1	ZINC000008694069	553119106	/nfs/dbraw/zinc/11/91/06/553119106.db2.gz	VVRDVFKJMDCXEO-UHFFFAOYSA-N	0	0	537.067	3.226	50	0		KGAARN
COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)COC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cc1	ZINC000008694085	553119143	/nfs/dbraw/zinc/11/91/43/553119143.db2.gz	AMZRBSIEKPTUFD-MHZLTWQESA-N	0	0	563.632	3.251	50	0		KGAARN
COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)COC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cc1	ZINC000008694086	553119101	/nfs/dbraw/zinc/11/91/01/553119101.db2.gz	AMZRBSIEKPTUFD-HHHXNRCGSA-N	0	0	563.632	3.251	50	0		KGAARN
CC[C@@](C)(C(=O)Nc1ccc(N2CCOCC2)cc1)N(Cc1cccnc1)C(=O)CN1c2ccccc2C(=O)C1=O	ZINC000008694377	553119343	/nfs/dbraw/zinc/11/93/43/553119343.db2.gz	MYGGPLWUCZDUCA-HKBQPEDESA-N	0	0	555.635	3.284	50	0		KGAARN
CC[C@](C)(C(=O)Nc1ccc(N2CCOCC2)cc1)N(Cc1cccnc1)C(=O)CN1c2ccccc2C(=O)C1=O	ZINC000008694378	553119346	/nfs/dbraw/zinc/11/93/46/553119346.db2.gz	MYGGPLWUCZDUCA-WJOKGBTCSA-N	0	0	555.635	3.284	50	0		KGAARN
C[C@@H](C(=O)Nc1ccc(N2CCOCC2)cc1)N(Cc1ccccc1F)C(=O)Cn1nnc2ccccc21	ZINC000008694402	553119526	/nfs/dbraw/zinc/11/95/26/553119526.db2.gz	SVVJBRQSLDVXKB-FQEVSTJZSA-N	0	0	516.577	3.463	50	0		KGAARN
C[C@H](C(=O)Nc1ccc(N2CCOCC2)cc1)N(Cc1ccccc1F)C(=O)Cn1nnc2ccccc21	ZINC000008694403	553119461	/nfs/dbraw/zinc/11/94/61/553119461.db2.gz	SVVJBRQSLDVXKB-HXUWFJFHSA-N	0	0	516.577	3.463	50	0		KGAARN
CC(C)[C@@H](C(=O)Nc1ccc(N2CCOCC2)cc1)N(Cc1cccnc1)C(=O)Cn1nnc2ccccc21	ZINC000008694422	553119871	/nfs/dbraw/zinc/11/98/71/553119871.db2.gz	JEXQVZUZKHYXQZ-NDEPHWFRSA-N	0	0	527.629	3.355	50	0		KGAARN
CC(C)[C@H](C(=O)Nc1ccc(N2CCOCC2)cc1)N(Cc1cccnc1)C(=O)Cn1nnc2ccccc21	ZINC000008694423	553119838	/nfs/dbraw/zinc/11/98/38/553119838.db2.gz	JEXQVZUZKHYXQZ-MUUNZHRXSA-N	0	0	527.629	3.355	50	0		KGAARN
CC(C)(C(=O)Nc1ccc(N2CCOCC2)cc1)N(Cc1cccnc1)C(=O)Cn1nnc2ccccc21	ZINC000008694428	553119845	/nfs/dbraw/zinc/11/98/45/553119845.db2.gz	GRHGKRGQPBGFJK-UHFFFAOYSA-N	0	0	513.602	3.109	50	0		KGAARN
CC[C@@](C)(C(=O)Nc1ccc(N2CCOCC2)cc1)N(Cc1cccnc1)C(=O)Cn1nnc2ccccc21	ZINC000008694429	553119816	/nfs/dbraw/zinc/11/98/16/553119816.db2.gz	LCIOJDBDQQSDFE-LJAQVGFWSA-N	0	0	527.629	3.499	50	0		KGAARN
CC[C@](C)(C(=O)Nc1ccc(N2CCOCC2)cc1)N(Cc1cccnc1)C(=O)Cn1nnc2ccccc21	ZINC000008694430	553119830	/nfs/dbraw/zinc/11/98/30/553119830.db2.gz	LCIOJDBDQQSDFE-GDLZYMKVSA-N	0	0	527.629	3.499	50	0		KGAARN
Cc1cc(C)nc(SCC(=O)N(Cc2cccnc2)[C@@H](C)C(=O)Nc2ccc(N3CCOCC3)cc2)n1	ZINC000008695428	553121700	/nfs/dbraw/zinc/12/17/00/553121700.db2.gz	SAPWBXNMMYHAGH-NRFANRHFSA-N	0	0	520.659	3.473	50	0		KGAARN
Cc1cc(C)nc(SCC(=O)N(Cc2cccnc2)[C@H](C)C(=O)Nc2ccc(N3CCOCC3)cc2)n1	ZINC000008695429	553121725	/nfs/dbraw/zinc/12/17/25/553121725.db2.gz	SAPWBXNMMYHAGH-OAQYLSRUSA-N	0	0	520.659	3.473	50	0		KGAARN
CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccncc3)c(=O)n2[C@@H]1c1ccc(OC)cc1OC	ZINC000008695546	553121815	/nfs/dbraw/zinc/12/18/15/553121815.db2.gz	WWQOTFOTKKTTMR-HZHYMEEXSA-N	0	0	527.602	3.348	50	0		KGAARN
CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccncc3)c(=O)n2[C@H]1c1ccc(OC)cc1OC	ZINC000008695547	553121915	/nfs/dbraw/zinc/12/19/15/553121915.db2.gz	WWQOTFOTKKTTMR-VFHYMGCCSA-N	0	0	527.602	3.348	50	0		KGAARN
CC(C)[C@@H](C(=O)Nc1ccc2c(c1)OCO2)N(Cc1cccnc1)C(=O)CN1c2ccccc2C(=O)C1=O	ZINC000008695826	553123728	/nfs/dbraw/zinc/12/37/28/553123728.db2.gz	OREQXZZJKFILLU-VWLOTQADSA-N	0	0	514.538	3.032	50	0		KGAARN
CC(C)[C@H](C(=O)Nc1ccc2c(c1)OCO2)N(Cc1cccnc1)C(=O)CN1c2ccccc2C(=O)C1=O	ZINC000008695827	553123661	/nfs/dbraw/zinc/12/36/61/553123661.db2.gz	OREQXZZJKFILLU-RUZDIDTESA-N	0	0	514.538	3.032	50	0		KGAARN
CC(C)[C@@H](C(=O)Nc1ccc(N(C)C)cc1)N(Cc1cccnc1)C(=O)CN1c2ccccc2C(=O)C1=O	ZINC000008695835	553123676	/nfs/dbraw/zinc/12/36/76/553123676.db2.gz	UACBUQKQIHTXLE-SANMLTNESA-N	0	0	513.598	3.369	50	0		KGAARN
O=C(CN1c2ccccc2C(=O)C1=O)N(Cc1cccnc1)C1(C(=O)Nc2ccc3c(c2)OCO3)CCCC1	ZINC000008695865	553124054	/nfs/dbraw/zinc/12/40/54/553124054.db2.gz	BYBVZHDETPPYGD-UHFFFAOYSA-N	0	0	526.549	3.320	50	0		KGAARN
CC(C)(C(=O)Nc1ccc(N2CCOCC2)cc1)N(C(=O)CN1C[C@H](c2ccccc2)NC1=S)C1CC1	ZINC000008695880	553124001	/nfs/dbraw/zinc/12/40/01/553124001.db2.gz	KJCAXAGGGYCHNM-XMMPIXPASA-N	0	0	521.687	3.163	50	0		KGAARN
CC(C)(C(=O)Nc1ccc(N2CCOCC2)cc1)N(C(=O)CN1C[C@@H](c2ccccc2)NC1=S)C1CC1	ZINC000008695881	553124209	/nfs/dbraw/zinc/12/42/09/553124209.db2.gz	KJCAXAGGGYCHNM-DEOSSOPVSA-N	0	0	521.687	3.163	50	0		KGAARN
O=C(CN1C(=O)c2ccccc2C1=O)N(Cc1ccccc1)[C@H](C(=O)Nc1ccc(N2CCOCC2)cc1)c1csnn1	ZINC000008695968	553124848	/nfs/dbraw/zinc/12/48/48/553124848.db2.gz	IHDNUQOZZOXGAS-NDEPHWFRSA-N	0	0	596.669	3.380	50	0		KGAARN
O=C(CN1C(=O)c2ccccc2C1=O)N(Cc1ccccc1)[C@@H](C(=O)Nc1ccc(N2CCOCC2)cc1)c1csnn1	ZINC000008695969	553124835	/nfs/dbraw/zinc/12/48/35/553124835.db2.gz	IHDNUQOZZOXGAS-MUUNZHRXSA-N	0	0	596.669	3.380	50	0		KGAARN
CN(C)c1ccc(NC(=O)[C@@H](c2csnn2)N(Cc2cccnc2)C(=O)CN2C(=O)c3ccccc3C2=O)cc1	ZINC000008695976	553125036	/nfs/dbraw/zinc/12/50/36/553125036.db2.gz	ARSAIEXKXIXQTH-RUZDIDTESA-N	0	0	555.620	3.004	50	0		KGAARN
CN(C)c1ccc(NC(=O)[C@H](c2csnn2)N(Cc2cccnc2)C(=O)CN2C(=O)c3ccccc3C2=O)cc1	ZINC000008695977	553125070	/nfs/dbraw/zinc/12/50/70/553125070.db2.gz	ARSAIEXKXIXQTH-VWLOTQADSA-N	0	0	555.620	3.004	50	0		KGAARN
O=C(CN1C(=O)c2ccccc2C1=O)N(Cc1cccnc1)[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)c1csnn1	ZINC000008695982	553125019	/nfs/dbraw/zinc/12/50/19/553125019.db2.gz	IOVGRSSECRUCMD-FTIBLKPPSA-N	0	0	570.675	3.384	50	0		KGAARN
O=C(CN1C(=O)c2ccccc2C1=O)N(Cc1cccnc1)[C@@H](C(=O)NC12CC3CC(CC(C3)C1)C2)c1csnn1	ZINC000008695983	553125004	/nfs/dbraw/zinc/12/50/04/553125004.db2.gz	IOVGRSSECRUCMD-BESJGBPWSA-N	0	0	570.675	3.384	50	0		KGAARN
CN(C)c1ccc(NC(=O)[C@@H](c2csnn2)N(Cc2ccco2)C(=O)CN2C(=O)c3ccccc3C2=O)cc1	ZINC000008695990	553125014	/nfs/dbraw/zinc/12/50/14/553125014.db2.gz	ZGWQCBVSDIXIEN-XMMPIXPASA-N	0	0	544.593	3.202	50	0		KGAARN
CN(C)c1ccc(NC(=O)[C@H](c2csnn2)N(Cc2ccco2)C(=O)CN2C(=O)c3ccccc3C2=O)cc1	ZINC000008695991	553125033	/nfs/dbraw/zinc/12/50/33/553125033.db2.gz	ZGWQCBVSDIXIEN-DEOSSOPVSA-N	0	0	544.593	3.202	50	0		KGAARN
NC(=O)c1ccc(NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(Br)cc2)cc1	ZINC000008721836	553129525	/nfs/dbraw/zinc/12/95/25/553129525.db2.gz	OGXDLKMCOVHRPX-UHFFFAOYSA-N	0	0	502.390	3.378	50	0		KGAARN
CCOC(=O)N1CCN(C(=O)CN(Cc2ccccc2)S(=O)(=O)c2cc(Cl)ccc2Cl)CC1	ZINC000008722193	553129901	/nfs/dbraw/zinc/12/99/01/553129901.db2.gz	CTDJMXVXLNVMID-UHFFFAOYSA-N	0	0	514.431	3.485	50	0		KGAARN
O=C1Nc2c3c1cccc3c(S(=O)(=O)NCc1ccccc1)cc2S(=O)(=O)NCc1ccccc1	ZINC000008735685	553130435	/nfs/dbraw/zinc/13/04/35/553130435.db2.gz	IZQXOUVJEXLVMF-UHFFFAOYSA-N	0	0	507.593	3.363	50	0		KGAARN
CC(=O)OCC(=O)[C@@]1(OC(C)=O)CC[C@@H]2[C@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](OC(C)=O)C[C@@]21C	ZINC000008739222	553131351	/nfs/dbraw/zinc/13/13/51/553131351.db2.gz	FFTHDBXUCIOLQT-HSDOSEDSSA-N	0	0	504.551	3.362	50	0		KGAARN
CC(=O)OCC(=O)[C@@]1(OC(C)=O)CC[C@@H]2[C@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@H](OC(C)=O)C[C@@]21C	ZINC000008739224	553131364	/nfs/dbraw/zinc/13/13/64/553131364.db2.gz	FFTHDBXUCIOLQT-KWLRHZRUSA-N	0	0	504.551	3.362	50	0		KGAARN
CCOC(=O)[C@@H]1[C@H](c2ccc(OC)cc2)C2(C(=O)OC3(CCCC3)OC2=O)[C@H]2c3ccccc3C=NN21	ZINC000008739274	553131346	/nfs/dbraw/zinc/13/13/46/553131346.db2.gz	ACCXFIARLJRVLD-RJGXRXQPSA-N	0	0	504.539	3.472	50	0		KGAARN
CCOC(=O)c1ccc(NC(=O)C[C@H]2C(=O)N(CC)C(=S)N2CCc2ccc(OC)c(OC)c2)cc1	ZINC000008739463	553131333	/nfs/dbraw/zinc/13/13/33/553131333.db2.gz	HTGFGVVKXVTFNE-FQEVSTJZSA-N	0	0	513.616	3.269	50	0		KGAARN
CCOC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)N(CC)C(=S)N2CCc2ccc(OC)c(OC)c2)cc1	ZINC000008739464	553131384	/nfs/dbraw/zinc/13/13/84/553131384.db2.gz	HTGFGVVKXVTFNE-HXUWFJFHSA-N	0	0	513.616	3.269	50	0		KGAARN
COc1cc2c(c(OC)c1OC)-c1ccc(NCCCC[C@H]([NH3+])C(=O)[O-])c(=O)cc1[C@@H](N(C)N=O)CC2	ZINC000008740218	553131860	/nfs/dbraw/zinc/13/18/60/553131860.db2.gz	YQWRAPKMQMAMIT-ICSRJNTNSA-N	0	0	514.579	3.334	50	0	biogenic	KGAARN
COc1cc2c(c(OC)c1OC)-c1ccc(NCCCC[C@@H]([NH3+])C(=O)[O-])c(=O)cc1[C@@H](N(C)N=O)CC2	ZINC000008740219	553131892	/nfs/dbraw/zinc/13/18/92/553131892.db2.gz	YQWRAPKMQMAMIT-QUCCMNQESA-N	0	0	514.579	3.334	50	0	biogenic	KGAARN
O=S(=O)(c1cccc(C(F)(F)F)c1)N1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1	ZINC000008741856	553133042	/nfs/dbraw/zinc/13/30/42/553133042.db2.gz	YIOUJXRPGJCSLE-UHFFFAOYSA-N	0	0	502.458	3.419	50	0		KGAARN
COc1ccc(NC(=O)[C@@H](c2csnn2)N(Cc2ccco2)C(=O)CN2C(=O)c3ccccc3C2=O)c(OC)c1	ZINC000008748744	553134431	/nfs/dbraw/zinc/13/44/31/553134431.db2.gz	KLEHUJYYPYRXIS-XMMPIXPASA-N	0	0	561.576	3.153	50	0		KGAARN
COc1ccc(NC(=O)[C@H](c2csnn2)N(Cc2ccco2)C(=O)CN2C(=O)c3ccccc3C2=O)c(OC)c1	ZINC000008748750	553134460	/nfs/dbraw/zinc/13/44/60/553134460.db2.gz	KLEHUJYYPYRXIS-DEOSSOPVSA-N	0	0	561.576	3.153	50	0		KGAARN
COc1ccccc1N(C[C@@H](O)CN(c1ccccc1C)S(C)(=O)=O)S(=O)(=O)c1ccccc1	ZINC000008753960	553135734	/nfs/dbraw/zinc/13/57/34/553135734.db2.gz	OVBOUXYOOLZFRZ-FQEVSTJZSA-N	0	0	504.630	3.026	50	0		KGAARN
COc1ccccc1N(C[C@H](O)CN(c1ccccc1C)S(C)(=O)=O)S(=O)(=O)c1ccccc1	ZINC000008753962	553135804	/nfs/dbraw/zinc/13/58/04/553135804.db2.gz	OVBOUXYOOLZFRZ-HXUWFJFHSA-N	0	0	504.630	3.026	50	0		KGAARN
O=S(=O)(c1nnn2c1nc(N1CCN(c3ccccn3)CC1)c1cc(Cl)ccc12)c1ccccc1	ZINC000008756794	553136276	/nfs/dbraw/zinc/13/62/76/553136276.db2.gz	UUOLEQLIFMKUSB-UHFFFAOYSA-N	0	0	505.991	3.485	50	0		KGAARN
CCOC(=O)c1ccc(NC(=O)[C@@H]2C=C([O-])NC(N3CCN(C(c4ccccc4)c4ccccc4)CC3)=[NH+]2)cc1	ZINC000008758110	553137060	/nfs/dbraw/zinc/13/70/60/553137060.db2.gz	XYAIVYYHXYEPRZ-SANMLTNESA-N	0	0	539.636	3.454	50	0		KGAARN
CCOC(=O)c1ccc(NC(=O)[C@H]2C=C([O-])NC(N3CCN(C(c4ccccc4)c4ccccc4)CC3)=[NH+]2)cc1	ZINC000008758112	553137067	/nfs/dbraw/zinc/13/70/67/553137067.db2.gz	XYAIVYYHXYEPRZ-AREMUKBSSA-N	0	0	539.636	3.454	50	0		KGAARN
COc1ccc2[nH]cc(CCNC(=O)Cc3c(C)c4c(OC(C)=O)cc(OC(C)=O)cc4oc3=O)c2c1	ZINC000008764317	553138146	/nfs/dbraw/zinc/13/81/46/553138146.db2.gz	DJQHQJOIVTTZHI-UHFFFAOYSA-N	0	0	506.511	3.343	50	0	biogenic	KGAARN
CC1=C(C(=O)OC(C)C)[C@H](c2ccc(Cl)cc2)n2c(=O)/c(=C\c3ccc(N4CCN(C)CC4)o3)sc2=N1	ZINC000008767091	553139402	/nfs/dbraw/zinc/13/94/02/553139402.db2.gz	AVZCNRXTIXUPCD-VOZFUJEASA-N	0	0	541.073	3.185	50	0		KGAARN
CC1=C(C(=O)OC(C)C)[C@@H](c2ccc(Cl)cc2)n2c(=O)/c(=C\c3ccc(N4CCN(C)CC4)o3)sc2=N1	ZINC000008767094	553139356	/nfs/dbraw/zinc/13/93/56/553139356.db2.gz	AVZCNRXTIXUPCD-INJUALFYSA-N	0	0	541.073	3.185	50	0		KGAARN
CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(F)cc2)n2c(=O)/c(=C\c3ccc(N4CCN(C)CC4)o3)sc2=N1	ZINC000008767170	553139789	/nfs/dbraw/zinc/13/97/89/553139789.db2.gz	YTVYRTFEBGVTGM-OLIAQGHGSA-N	0	0	557.651	3.358	50	0		KGAARN
CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(N4CCN(C)CC4)o3)c(=O)n2[C@@H]1c1cccs1	ZINC000008767195	553139718	/nfs/dbraw/zinc/13/97/18/553139718.db2.gz	LZNJSWFGALAMJO-WOEBWSJMSA-N	0	0	560.701	3.342	50	0		KGAARN
CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(N4CCN(C)CC4)o3)c(=O)n2[C@H]1c1cccs1	ZINC000008767199	553139762	/nfs/dbraw/zinc/13/97/62/553139762.db2.gz	LZNJSWFGALAMJO-RFGLMPIOSA-N	0	0	560.701	3.342	50	0		KGAARN
COc1ccccc1OCCNC(=O)NCCCCCCNC(=O)NCCOc1ccccc1OC	ZINC000008767908	553139956	/nfs/dbraw/zinc/13/99/56/553139956.db2.gz	XASPTAWGLJKCJA-UHFFFAOYSA-N	0	0	502.612	3.320	50	0		KGAARN
CCOC(=O)c1sc(NC(=O)Cn2c(=O)c(CC)c(C)nc2-n2nc(C)cc2C)c(C(=O)OCC)c1C	ZINC000008768916	553140188	/nfs/dbraw/zinc/14/01/88/553140188.db2.gz	HLPGJKDQSZDWSR-UHFFFAOYSA-N	0	0	529.619	3.279	50	0		KGAARN
O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC(=O)C[C@@H](CNC(=O)C1CC[NH2+]CC1)c1ccc(Cl)cc1	ZINC000008769665	553140563	/nfs/dbraw/zinc/14/05/63/553140563.db2.gz	BKZLTYOZHKWWND-CYFREDJKSA-N	0	0	511.022	3.223	50	0		KGAARN
COc1ccc(-n2nc(C(=O)N3CCOCC3)/c(=N/C(=O)c3nnn(-c4ccccc4)c3-c3ccccc3)s2)cc1	ZINC000008770702	553141004	/nfs/dbraw/zinc/14/10/04/553141004.db2.gz	BIOZFIFQEASLFE-HYOGKJQXSA-N	0	0	567.631	3.404	50	0		KGAARN
COc1ccc(-n2nc(C(=O)N3CCCCC3)/c(=N/C(=O)c3nnn(-c4ccc(F)cc4)c3C)s2)cc1	ZINC000008770741	553140993	/nfs/dbraw/zinc/14/09/93/553140993.db2.gz	GKJVOCDBSCDMQX-PNHLSOANSA-N	0	0	521.578	3.338	50	0		KGAARN
CCOC(=O)c1ccc(N2C(=O)C=C(N3CCN(c4ccc(C(=O)c5cccnc5)cc4)CC3)C2=O)cc1	ZINC000008771822	553141309	/nfs/dbraw/zinc/14/13/09/553141309.db2.gz	RXNKKOPVTCNIKB-UHFFFAOYSA-N	0	0	510.550	3.069	50	0		KGAARN
O=C(NCCNS(=O)(=O)c1ccccc1)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F	ZINC000008773070	553141507	/nfs/dbraw/zinc/14/15/07/553141507.db2.gz	GLOILQUMTZOHJA-UHFFFAOYSA-N	0	0	500.417	3.277	50	0		KGAARN
CCOc1cc(C(=O)OCC(=O)Nc2ncc(Cl)c(C)c2Cl)ccc1OCC(=O)N1CCOCC1	ZINC000008773135	553141501	/nfs/dbraw/zinc/14/15/01/553141501.db2.gz	OUZDCASZKHFZGF-UHFFFAOYSA-N	0	0	526.373	3.129	50	0		KGAARN
CCOc1ccc(N2C[C@H](C(=O)NCCN3C(=O)S/C(=C\c4ccc(OC)c(OC)c4)C3=O)CC2=O)cc1	ZINC000008773150	553141566	/nfs/dbraw/zinc/14/15/66/553141566.db2.gz	NDHSJFXRLLFLGU-NLKUQUHMSA-N	0	0	539.610	3.308	50	0		KGAARN
CCOc1ccc(N2C[C@@H](C(=O)NCCN3C(=O)S/C(=C\c4ccc(OC)c(OC)c4)C3=O)CC2=O)cc1	ZINC000008773151	553141541	/nfs/dbraw/zinc/14/15/41/553141541.db2.gz	NDHSJFXRLLFLGU-PVFDWLMNSA-N	0	0	539.610	3.308	50	0		KGAARN
CCCCN(C(=O)CSc1nnc(-c2ccc(OC)cc2)n1CC)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	ZINC000008773155	553141558	/nfs/dbraw/zinc/14/15/58/553141558.db2.gz	SQEWZIXOGBCZIM-UHFFFAOYSA-N	0	0	563.684	3.380	50	0		KGAARN
O=C(NCCN1C(=O)S/C(=C\c2ccccc2)C1=O)c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl	ZINC000008774492	553142099	/nfs/dbraw/zinc/14/20/99/553142099.db2.gz	YDAUPXMZSDTYOR-UNOMPAQXSA-N	0	0	570.476	3.481	50	0	aggregator	KGAARN
CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=O)COC(=O)CNC(=O)c2ccc(C(C)(C)C)cc2)c1	ZINC000008774701	553142350	/nfs/dbraw/zinc/14/23/50/553142350.db2.gz	FZJVVSGUPCHUGG-UHFFFAOYSA-N	0	0	517.648	3.235	50	0		KGAARN
COc1ccc(NC(=O)COC(=O)/C=C/C(=O)OCC(=O)Nc2ccc(OC)c(Cl)c2)cc1Cl	ZINC000008774736	553142389	/nfs/dbraw/zinc/14/23/89/553142389.db2.gz	QYIBZXMTOIPDDS-BQYQJAHWSA-N	0	0	511.314	3.230	50	0		KGAARN
COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)COC(=O)c2cccc(S(=O)(=O)N(C)C)c2)cc1	ZINC000008774754	553142336	/nfs/dbraw/zinc/14/23/36/553142336.db2.gz	XXNYDHCOOMHITD-VWLOTQADSA-N	0	0	521.595	3.480	50	0	aggregator	KGAARN
COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)COC(=O)c2cccc(S(=O)(=O)N(C)C)c2)cc1	ZINC000008774759	553142384	/nfs/dbraw/zinc/14/23/84/553142384.db2.gz	XXNYDHCOOMHITD-RUZDIDTESA-N	0	0	521.595	3.480	50	0	aggregator	KGAARN
Cn1c2nc(NCCc3c[nH]c4ccccc34)n(Cc3ccc(Br)cc3)c2c(=O)n(C)c1=O	ZINC000008775655	553142369	/nfs/dbraw/zinc/14/23/69/553142369.db2.gz	ODNYPSLFSFQMIZ-UHFFFAOYSA-N	0	0	507.392	3.380	50	0		KGAARN
O=C([O-])[C@H](Cc1ccccc1)NC(=O)C1(c2ccccc2)CCN(C(=O)[C@@H]2Cc3ccccc3C[NH2+]2)CC1	ZINC000008788804	553144983	/nfs/dbraw/zinc/14/49/83/553144983.db2.gz	JRBJEDOXHGVGOS-SVBPBHIXSA-N	0	0	511.622	3.073	50	0	biogenic	KGAARN
CCOC(=O)N1CCN(c2ccc3c(cc2=O)[C@@H](NC(C)=O)CCc2cc(OC)c(OC)c(OC)c2-3)CC1	ZINC000008789088	553145403	/nfs/dbraw/zinc/14/54/03/553145403.db2.gz	FGXJMTJPMFNIPL-NRFANRHFSA-N	0	0	525.602	3.142	50	0	biogenic	KGAARN
COc1ccccc1CNC(=O)[C@H](C)NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@H]2c3ccccc3C(=O)N21	ZINC000008791467	553147024	/nfs/dbraw/zinc/14/70/24/553147024.db2.gz	IUQKPEWTPWWDDM-BDFQYQKBSA-N	0	0	508.578	3.468	50	0	biogenic	KGAARN
COc1ccccc1CNC(=O)[C@H](C)NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@@H]2c3ccccc3C(=O)N21	ZINC000008791468	553147044	/nfs/dbraw/zinc/14/70/44/553147044.db2.gz	IUQKPEWTPWWDDM-ZWAUOJDLSA-N	0	0	508.578	3.468	50	0	biogenic	KGAARN
COCCCNC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@H]2c3ccccc3C(=O)N21	ZINC000008791553	553147076	/nfs/dbraw/zinc/14/70/76/553147076.db2.gz	UDVYPIVONXPYJD-KYPHJKQUSA-N	0	0	502.615	3.321	50	0	biogenic	KGAARN
COCCCNC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@@H]2c3ccccc3C(=O)N21	ZINC000008791554	553147057	/nfs/dbraw/zinc/14/70/57/553147057.db2.gz	UDVYPIVONXPYJD-GNKBHMEESA-N	0	0	502.615	3.321	50	0	biogenic	KGAARN
CC(C)C[C@H](NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@H]2c3ccccc3C(=O)N21)C(=O)NC[C@H]1CCCO1	ZINC000008791559	553147277	/nfs/dbraw/zinc/14/72/77/553147277.db2.gz	KRFNIBVBZRNIBR-NMNXAZNXSA-N	0	0	514.626	3.464	50	0	biogenic	KGAARN
CC[C@@H](C)[C@H](NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@@H]2c3ccccc3C(=O)N21)C(=O)NCCCOC	ZINC000008791565	553147227	/nfs/dbraw/zinc/14/72/27/553147227.db2.gz	OPGBRKUVCJTXEJ-GFUVIIAASA-N	0	0	502.615	3.321	50	0	biogenic	KGAARN
COc1ccc(CNC(=O)[C@H](C)NC(=O)[C@@H]2Cc3c4ccccc4[nH]c3[C@H]3c4ccccc4C(=O)N32)cc1	ZINC000008791609	553147236	/nfs/dbraw/zinc/14/72/36/553147236.db2.gz	HDXGXPZKHKFKEG-VRKGNZAUSA-N	0	0	508.578	3.468	50	0	biogenic	KGAARN
CCN1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4C[C@H](C)C[C@H](C)C4)cc3)c2C(N)=O)C1	ZINC000008793175	553147949	/nfs/dbraw/zinc/14/79/49/553147949.db2.gz	SHSCKCJBUJSNRV-IYBDPMFKSA-N	0	0	504.678	3.144	50	0		KGAARN
CCOc1ccc(CCNC(=O)c2cc(=O)[nH]c3ccc(S(=O)(=O)N4CCCC4)cc32)cc1OCC	ZINC000008811412	553149109	/nfs/dbraw/zinc/14/91/09/553149109.db2.gz	XAJOPYHTUUHZIK-UHFFFAOYSA-N	0	0	513.616	3.083	50	0		KGAARN
CN(C1CCCCC1)S(=O)(=O)c1ccc2c(c1)N(CC(=O)NCCc1ccccc1)C(=O)CS2	ZINC000008812633	553150084	/nfs/dbraw/zinc/15/00/84/553150084.db2.gz	WDDPAICSAPKHRD-UHFFFAOYSA-N	0	0	501.674	3.437	50	0		KGAARN
COc1cccc(CNC(=O)CN2C(=O)CSc3ccc(S(=O)(=O)N(C)C4CCCCC4)cc32)c1	ZINC000008812969	553150595	/nfs/dbraw/zinc/15/05/95/553150595.db2.gz	SHXGXERSPYYJBT-UHFFFAOYSA-N	0	0	517.673	3.404	50	0		KGAARN
COc1ccccc1N1CCN(C(=O)C2CCC(CNS(=O)(=O)c3ccc(NC(C)=O)cc3)CC2)CC1	ZINC000008813575	553151168	/nfs/dbraw/zinc/15/11/68/553151168.db2.gz	GZDWBTKOXBYWBR-UHFFFAOYSA-N	0	0	528.675	3.087	50	0		KGAARN
CC(=O)Nc1ccc(S(=O)(=O)NCC2CCC(C(=O)N[C@@H](C)c3ccc4c(c3)OCCO4)CC2)cc1	ZINC000008813578	553151194	/nfs/dbraw/zinc/15/11/94/553151194.db2.gz	DRFIWCFDDDIOHN-KKXNLOMOSA-N	0	0	515.632	3.378	50	0		KGAARN
CC(=O)Nc1ccc(S(=O)(=O)NCC2CCC(C(=O)N[C@H](C)c3ccc4c(c3)OCCO4)CC2)cc1	ZINC000008813581	553151085	/nfs/dbraw/zinc/15/10/85/553151085.db2.gz	DRFIWCFDDDIOHN-QHGAOEGBSA-N	0	0	515.632	3.378	50	0		KGAARN
CC(=O)Nc1ccc(S(=O)(=O)NCC2CCC(C(=O)NCCCN(C)c3ccccc3)CC2)cc1	ZINC000008813606	553151065	/nfs/dbraw/zinc/15/10/65/553151065.db2.gz	PEIFCQUQGJIIFD-UHFFFAOYSA-N	0	0	500.665	3.372	50	0		KGAARN
CCN(CCCNC(=O)CN1C(=O)CSc2ccc(S(=O)(=O)N3CCCC3)cc21)c1cccc(C)c1	ZINC000008814041	553151309	/nfs/dbraw/zinc/15/13/09/553151309.db2.gz	KMZNUBYRLLSPFI-UHFFFAOYSA-N	0	0	530.716	3.251	50	0		KGAARN
O=C(CN1C(=O)S/C(=C/c2cn(CC(=O)N3CCOCC3)c3ccccc23)C1=O)Nc1ccccc1F	ZINC000008815762	553151615	/nfs/dbraw/zinc/15/16/15/553151615.db2.gz	MQHNNDIAFKGAAF-LPYMAVHISA-N	0	0	522.558	3.314	50	0		KGAARN
COc1ccc(C(=O)Nc2cccc(OC(=O)c3ccc(C)c(S(=O)(=O)N4CCOCC4)c3)c2)cc1	ZINC000008826770	553156384	/nfs/dbraw/zinc/15/63/84/553156384.db2.gz	PZKIUUUZCVWOFW-UHFFFAOYSA-N	0	0	510.568	3.496	50	0		KGAARN
COc1ccccc1O[C@@H](C)C(=O)Nc1nc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)cs1	ZINC000008828703	553157175	/nfs/dbraw/zinc/15/71/75/553157175.db2.gz	WNUQKYGJFCRVFN-INIZCTEOSA-N	0	0	503.602	3.246	50	0		KGAARN
COc1ccccc1O[C@H](C)C(=O)Nc1nc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)cs1	ZINC000008828704	553157164	/nfs/dbraw/zinc/15/71/64/553157164.db2.gz	WNUQKYGJFCRVFN-MRXNPFEDSA-N	0	0	503.602	3.246	50	0		KGAARN
Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)COC(=O)CSc1ccc(Br)cc1C	ZINC000008828843	553157247	/nfs/dbraw/zinc/15/72/47/553157247.db2.gz	YXRXKCBESWSZNU-UHFFFAOYSA-N	0	0	557.488	3.361	50	0		KGAARN
CCNC(=O)CSc1nnc(-c2cccc(S(=O)(=O)N(CC)CC)c2)n1CCc1ccccc1	ZINC000008829627	553157691	/nfs/dbraw/zinc/15/76/91/553157691.db2.gz	DTAHJXUCIFQZMS-UHFFFAOYSA-N	0	0	501.678	3.447	50	0		KGAARN
Cc1cccc(NC(=O)CSc2nnc(NC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)s2)c1C	ZINC000008830343	553157964	/nfs/dbraw/zinc/15/79/64/553157964.db2.gz	RCNCYXSNBIHEOC-UHFFFAOYSA-N	0	0	547.684	3.159	50	0		KGAARN
Cc1ccc(S(=O)(=O)NCCc2nnc3ccc(SCC(=O)Nc4nc5ccccc5s4)nn32)cc1	ZINC000008830372	553158157	/nfs/dbraw/zinc/15/81/57/553158157.db2.gz	WZLSDKXAYZKCSD-UHFFFAOYSA-N	0	0	539.668	3.294	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)c(OC)c(OC)c3)c(=O)n2[C@@H]1/C=C/c1ccccc1	ZINC000008830461	553158194	/nfs/dbraw/zinc/15/81/94/553158194.db2.gz	ASUHOHWGJZCYSJ-LIVWCMTASA-N	0	0	520.607	3.489	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)c(OC)c(OC)c3)c(=O)n2[C@H]1/C=C/c1ccccc1	ZINC000008830462	553158217	/nfs/dbraw/zinc/15/82/17/553158217.db2.gz	ASUHOHWGJZCYSJ-QKPSTGNCSA-N	0	0	520.607	3.489	50	0		KGAARN
COc1ccccc1OS(=O)(=O)c1cc(S(=O)(=O)Oc2ccccc2OC)c(OC)cc1OC	ZINC000008834296	553160876	/nfs/dbraw/zinc/16/08/76/553160876.db2.gz	RGVJZCYXUWYCRI-UHFFFAOYSA-N	0	0	510.542	3.256	50	0		KGAARN
COc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4cccc(OC(C)=O)c4)c(=O)n32)cc1	ZINC000008834805	553161022	/nfs/dbraw/zinc/16/10/22/553161022.db2.gz	ISKOHGRYYXFEPN-XPCGLTFESA-N	0	0	506.580	3.121	50	0		KGAARN
COc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4cccc(OC(C)=O)c4)c(=O)n32)cc1	ZINC000008834806	553161100	/nfs/dbraw/zinc/16/11/00/553161100.db2.gz	ISKOHGRYYXFEPN-MGSPXPDISA-N	0	0	506.580	3.121	50	0		KGAARN
COc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4ccc(OC(C)=O)cc4)c(=O)n32)cc1	ZINC000008834807	553161121	/nfs/dbraw/zinc/16/11/21/553161121.db2.gz	VGVPEYUTLHGMPT-XPCGLTFESA-N	0	0	506.580	3.121	50	0		KGAARN
COc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4ccc(OC(C)=O)cc4)c(=O)n32)cc1	ZINC000008834808	553161045	/nfs/dbraw/zinc/16/10/45/553161045.db2.gz	VGVPEYUTLHGMPT-MGSPXPDISA-N	0	0	506.580	3.121	50	0		KGAARN
COc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4ccc(OC)c(OC)c4)c(=O)n32)cc1	ZINC000008834809	553161084	/nfs/dbraw/zinc/16/10/84/553161084.db2.gz	UYHQXLLXHWTFIN-XPCGLTFESA-N	0	0	508.596	3.213	50	0		KGAARN
COc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4ccc(OC)c(OC)c4)c(=O)n32)cc1	ZINC000008834810	553161289	/nfs/dbraw/zinc/16/12/89/553161289.db2.gz	UYHQXLLXHWTFIN-MGSPXPDISA-N	0	0	508.596	3.213	50	0		KGAARN
CCCCn1c(SCC(=O)Nc2ccc(OC(F)(F)Cl)cc2)nc2c1c(=O)n(C)c(=O)n2C	ZINC000008846396	553166225	/nfs/dbraw/zinc/16/62/25/553166225.db2.gz	FVMZKTWAWBQYBD-UHFFFAOYSA-N	0	0	501.943	3.133	50	0		KGAARN
CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cccnc3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2	ZINC000008855074	553167042	/nfs/dbraw/zinc/16/70/42/553167042.db2.gz	HMEVQGOVSJJWNC-QDNAUZDWSA-N	0	0	511.559	3.059	50	0		KGAARN
Cc1cc(C)nc(SCc2cc(=O)c(OC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)co2)n1	ZINC000008860140	553169917	/nfs/dbraw/zinc/16/99/17/553169917.db2.gz	XZGWRSCGNNAMQH-UHFFFAOYSA-N	0	0	501.586	3.343	50	0		KGAARN
CCN(CC)S(=O)(=O)c1ccc(C(=O)OCCN2C(=O)c3cccc4c(N5CCOCC5)ccc(c43)C2=O)cc1	ZINC000008860143	553169901	/nfs/dbraw/zinc/16/99/01/553169901.db2.gz	XCBAUKYFUXGELV-UHFFFAOYSA-N	0	0	565.648	3.160	50	0		KGAARN
COCCNC(=O)CSc1nnc(-c2ccc(OC)c(OC)c2)c(-c2ccc(OC)c(OC)c2)n1	ZINC000008860346	553170131	/nfs/dbraw/zinc/17/01/31/553170131.db2.gz	QMENAJHVSSDZED-UHFFFAOYSA-N	0	0	500.577	3.095	50	0		KGAARN
CSc1ncc(Cl)c(C(=O)Nc2sc3c(c2C(=O)N[C@@H]2CCS(=O)(=O)C2)CC[C@@H](C)C3)n1	ZINC000008868287	553170794	/nfs/dbraw/zinc/17/07/94/553170794.db2.gz	IMWUMOJWRGHUJU-GHMZBOCLSA-N	0	0	515.082	3.207	50	0		KGAARN
CSc1ncc(Cl)c(C(=O)Nc2sc3c(c2C(=O)N[C@@H]2CCS(=O)(=O)C2)CC[C@H](C)C3)n1	ZINC000008868290	553170846	/nfs/dbraw/zinc/17/08/46/553170846.db2.gz	IMWUMOJWRGHUJU-WDEREUQCSA-N	0	0	515.082	3.207	50	0		KGAARN
CSc1ncc(Cl)c(C(=O)Nc2sc3c(c2C(=O)N[C@H]2CCS(=O)(=O)C2)CC[C@@H](C)C3)n1	ZINC000008868293	553170766	/nfs/dbraw/zinc/17/07/66/553170766.db2.gz	IMWUMOJWRGHUJU-MNOVXSKESA-N	0	0	515.082	3.207	50	0		KGAARN
CSc1ncc(Cl)c(C(=O)Nc2sc3c(c2C(=O)N[C@H]2CCS(=O)(=O)C2)CC[C@H](C)C3)n1	ZINC000008868295	553170817	/nfs/dbraw/zinc/17/08/17/553170817.db2.gz	IMWUMOJWRGHUJU-QWRGUYRKSA-N	0	0	515.082	3.207	50	0		KGAARN
COC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)N(Cc3ccccc3)C(=S)N2NC(=O)c2ccccc2)cc1	ZINC000008868963	553171041	/nfs/dbraw/zinc/17/10/41/553171041.db2.gz	STIJQUNBRSSYAI-JOCHJYFZSA-N	0	0	516.579	3.145	50	0		KGAARN
COC(=O)c1ccc(NC(=O)C[C@H]2C(=O)N(Cc3ccccc3)C(=S)N2NC(=O)c2ccccc2)cc1	ZINC000008868964	553170999	/nfs/dbraw/zinc/17/09/99/553170999.db2.gz	STIJQUNBRSSYAI-QFIPXVFZSA-N	0	0	516.579	3.145	50	0		KGAARN
COc1ccc(N2C(=O)[C@H](CC(=O)Nc3cccc(OC)c3)N(NC(=O)c3ccccc3)C2=S)cc1	ZINC000008869677	553171241	/nfs/dbraw/zinc/17/12/41/553171241.db2.gz	JYIPJKMTUYDUKQ-QFIPXVFZSA-N	0	0	504.568	3.380	50	0		KGAARN
CCn1cc(C(=O)N[C@H](C(=O)NCCc2c[nH]c3ccccc23)C(C)C)c(=O)c2cc3c(cc21)OCO3	ZINC000008877898	553175553	/nfs/dbraw/zinc/17/55/53/553175553.db2.gz	MJPSZPAYNTUNOY-VWLOTQADSA-N	0	0	502.571	3.345	50	0	biogenic	KGAARN
CCn1cc(C(=O)N[C@@H](C)C(=O)N(C)CCc2c[nH]c3cc(OC)ccc23)c(=O)c2cc3c(cc21)OCO3	ZINC000008878921	553175868	/nfs/dbraw/zinc/17/58/68/553175868.db2.gz	VCHLHQYDNRTDAP-INIZCTEOSA-N	0	0	518.570	3.059	50	0	biogenic	KGAARN
COc1ccc2[nH]cc(CCNC(=O)Cc3c(C)c4ccc(OC(C)=O)c(OC(C)=O)c4oc3=O)c2c1	ZINC000008879623	553175960	/nfs/dbraw/zinc/17/59/60/553175960.db2.gz	FVQRKANOYSQKLF-UHFFFAOYSA-N	0	0	506.511	3.343	50	0	biogenic	KGAARN
CC(=O)c1ccc2c(c1)OCCOCCOCCOc1ccc(C(C)=O)cc1OCCOCCOCCO2	ZINC000008892743	553176729	/nfs/dbraw/zinc/17/67/29/553176729.db2.gz	PXLCVHQNQODOPE-UHFFFAOYSA-N	0	0	532.586	3.387	50	0		KGAARN
COc1ccc2nc(N3CCN(C(=O)[C@H]4CCCN4S(=O)(=O)c4ccc(C)cc4)CC3)sc2c1	ZINC000008893997	553177153	/nfs/dbraw/zinc/17/71/53/553177153.db2.gz	DVCMQLQKFZCXJV-OAQYLSRUSA-N	0	0	500.646	3.115	50	0		KGAARN
COc1ccc2nc(N3CCN(C(=O)[C@@H]4CCCN4S(=O)(=O)c4ccc(C)cc4)CC3)sc2c1	ZINC000008894019	553177151	/nfs/dbraw/zinc/17/71/51/553177151.db2.gz	DVCMQLQKFZCXJV-NRFANRHFSA-N	0	0	500.646	3.115	50	0		KGAARN
CC(=O)Nc1ccc(NC(=O)CSc2nnc(NC(=O)[C@@H]3CC(=O)N(c4ccccc4)C3)s2)cc1	ZINC000008904257	553183449	/nfs/dbraw/zinc/18/34/49/553183449.db2.gz	MGCWSBPDMXDYNZ-OAHLLOKOSA-N	0	0	510.601	3.219	50	0		KGAARN
CC(=O)Nc1ccc(NC(=O)CSc2nnc(NC(=O)[C@H]3CC(=O)N(c4ccccc4)C3)s2)cc1	ZINC000008904260	553183417	/nfs/dbraw/zinc/18/34/17/553183417.db2.gz	MGCWSBPDMXDYNZ-HNNXBMFYSA-N	0	0	510.601	3.219	50	0		KGAARN
CCc1ccc(CN2C(=O)CN(S(=O)(=O)c3ccc(OC)cc3)C[C@@]2(C)C(=O)NC2CCCCC2)cc1	ZINC000008911642	553184077	/nfs/dbraw/zinc/18/40/77/553184077.db2.gz	XJHCVZZCIRIPNL-NDEPHWFRSA-N	0	0	527.687	3.498	50	0		KGAARN
CCc1ccc(CN2C(=O)CN(S(=O)(=O)c3ccc(OC)cc3)C[C@]2(C)C(=O)NC2CCCCC2)cc1	ZINC000008911643	553184071	/nfs/dbraw/zinc/18/40/71/553184071.db2.gz	XJHCVZZCIRIPNL-MUUNZHRXSA-N	0	0	527.687	3.498	50	0		KGAARN
CC(=O)N1N=C(c2ccc(-c3ccccc3)cc2)[C@@H](c2ccccc2)n2c1nc1c2c(=O)n(C)c(=O)n1C	ZINC000008914077	553185771	/nfs/dbraw/zinc/18/57/71/553185771.db2.gz	WIHTVHXADSLDPA-XMMPIXPASA-N	0	0	504.550	3.461	50	0		KGAARN
CC(=O)N1N=C(c2ccc(-c3ccccc3)cc2)[C@H](c2ccccc2)n2c1nc1c2c(=O)n(C)c(=O)n1C	ZINC000008914078	553185778	/nfs/dbraw/zinc/18/57/78/553185778.db2.gz	WIHTVHXADSLDPA-DEOSSOPVSA-N	0	0	504.550	3.461	50	0		KGAARN
CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C(=O)N[C@@H](C)C(=O)Nc2ccc(F)cc2)CC1	ZINC000008917845	553187270	/nfs/dbraw/zinc/18/72/70/553187270.db2.gz	MDTPKYKICLONLN-UWJYYQICSA-N	0	0	506.619	3.447	50	0	biogenic	KGAARN
CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C(=O)N[C@@H](C)C(=O)Nc2ccc(C)cc2)CC1	ZINC000008917963	553187356	/nfs/dbraw/zinc/18/73/56/553187356.db2.gz	GVQUBSXHLDSMOK-RXVVDRJESA-N	0	0	520.696	3.323	50	0	biogenic	KGAARN
Cc1c2ccc(OCC(=O)NCC(=O)N3CC[C@@]4(O)CCCC[C@H]4C3)cc2oc(=O)c1Cc1ccccc1	ZINC000008918250	553187786	/nfs/dbraw/zinc/18/77/86/553187786.db2.gz	IBWNNXVKFROASK-CHJDUVSTSA-N	0	0	518.610	3.341	50	0	biogenic	KGAARN
CC(C)(C)OC(=O)NCC(=O)N1CCC(C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)NC2CCCC2)CC1	ZINC000008918399	553188310	/nfs/dbraw/zinc/18/83/10/553188310.db2.gz	LJMIGLLGYMRVAO-DEOSSOPVSA-N	0	0	539.677	3.017	50	0	biogenic	KGAARN
CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C(=O)N[C@@H](C)C(=O)N[C@@H](C)c2ccccc2)CC1	ZINC000008918437	553188303	/nfs/dbraw/zinc/18/83/03/553188303.db2.gz	RJIKSAWBNAUULT-IPJJNNNSSA-N	0	0	534.723	3.254	50	0	biogenic	KGAARN
CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C(=O)N[C@@H](C)C(=O)N[C@H](C)c2ccccc2)CC1	ZINC000008918438	553188294	/nfs/dbraw/zinc/18/82/94/553188294.db2.gz	RJIKSAWBNAUULT-DXIQSLLYSA-N	0	0	534.723	3.254	50	0	biogenic	KGAARN
CCc1ccc(NC(=O)[C@H](C)NC(=O)C2CCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)CC2)cc1	ZINC000008918501	553188580	/nfs/dbraw/zinc/18/85/80/553188580.db2.gz	UTEQQEITINVAPB-AVRDEDQJSA-N	0	0	502.656	3.480	50	0	biogenic	KGAARN
COc1ccc(N(CC(=O)NCCc2ccc(OC)c(OC)c2)S(=O)(=O)c2ccc(F)cc2)cc1	ZINC000008918821	553188772	/nfs/dbraw/zinc/18/87/72/553188772.db2.gz	IDMVMSOZJXZPAU-UHFFFAOYSA-N	0	0	502.564	3.406	50	0		KGAARN
CCN1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4CCCCCC4)cc3)c2C(=O)NC)C1	ZINC000008920402	553189292	/nfs/dbraw/zinc/18/92/92/553189292.db2.gz	JIWSMFAXFVDYLB-UHFFFAOYSA-N	0	0	504.678	3.303	50	0		KGAARN
CNC(=O)c1c2c(sc1NC(=O)c1ccc(S(=O)(=O)N3CCCCC3)cc1)CN(C(C)C)CC2	ZINC000008920826	553189471	/nfs/dbraw/zinc/18/94/71/553189471.db2.gz	DQDUSVROBKIAKS-UHFFFAOYSA-N	0	0	504.678	3.301	50	0		KGAARN
CCOC(=O)CNC(=O)/C(=C\c1ccc(Br)cc1)NC(=O)c1ccc(Br)o1	ZINC000008926163	553191068	/nfs/dbraw/zinc/19/10/68/553191068.db2.gz	JQSBUFAJOIGBKK-UKTHLTGXSA-N	0	0	500.143	3.255	50	0		KGAARN
Cc1ccc(C(=O)Oc2ccc(C(=O)COC(=O)[C@@H]3CC(=O)N(NC(=O)c4ccccc4)C3)cc2)cc1	ZINC000008927400	553191800	/nfs/dbraw/zinc/19/18/00/553191800.db2.gz	RQADWJYXNKCJQL-JOCHJYFZSA-N	0	0	500.507	3.134	50	0		KGAARN
Cc1ccc(C(=O)Oc2ccc(C(=O)COC(=O)[C@H]3CC(=O)N(NC(=O)c4ccccc4)C3)cc2)cc1	ZINC000008927402	553191821	/nfs/dbraw/zinc/19/18/21/553191821.db2.gz	RQADWJYXNKCJQL-QFIPXVFZSA-N	0	0	500.507	3.134	50	0		KGAARN
CCc1ccc(N2C[C@H](C(=O)NCC(C)(C)CNC(=O)[C@@H]3CC(=O)N(c4ccc(CC)cc4)C3)CC2=O)cc1	ZINC000008931799	553192623	/nfs/dbraw/zinc/19/26/23/553192623.db2.gz	KZLJPIRBMRMRKR-DNQXCXABSA-N	0	0	532.685	3.476	50	0		KGAARN
CC(=O)OCCNC(=O)/C(=C\c1ccc(Br)cc1)NC(=O)c1ccc(Br)o1	ZINC000008934238	553192689	/nfs/dbraw/zinc/19/26/89/553192689.db2.gz	UETCIBGEHNPVLF-GXDHUFHOSA-N	0	0	500.143	3.255	50	0		KGAARN
CCOC(=O)CNC(=O)/C(=C\c1ccc(OS(=O)(=O)c2ccc(C)cc2)cc1)NC(=O)c1ccccc1	ZINC000008934349	553192592	/nfs/dbraw/zinc/19/25/92/553192592.db2.gz	GWGJDMLAFUBHGB-JJIBRWJFSA-N	0	0	522.579	3.213	50	0		KGAARN
CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C(=O)N[C@@H](C)C(=O)N[C@@H](C)c2ccccc2)CC1	ZINC000008952718	553194303	/nfs/dbraw/zinc/19/43/03/553194303.db2.gz	RMLQDOVGEFRCIP-IPJJNNNSSA-N	0	0	502.656	3.156	50	0	biogenic	KGAARN
CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C(=O)N[C@@H](C)C(=O)N[C@H](C)c2ccccc2)CC1	ZINC000008952719	553194352	/nfs/dbraw/zinc/19/43/52/553194352.db2.gz	RMLQDOVGEFRCIP-DXIQSLLYSA-N	0	0	502.656	3.156	50	0	biogenic	KGAARN
O=C1[C@@H]2CC=C(Cl)C[C@@H]2C(=O)N1CN(Cc1ccccc1)CN1C(=O)[C@H]2CC=C(Cl)C[C@@H]2C1=O	ZINC000008955313	553194445	/nfs/dbraw/zinc/19/44/45/553194445.db2.gz	LUCZBTVPCUMDBT-WOZUAGRISA-N	0	0	502.398	3.439	50	0		KGAARN
CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)O[C@@H]1[C@H]2OC(C)(C)O[C@H]2O[C@@H]1[C@@H]1COC(C)(C)O1	ZINC000008964498	553194475	/nfs/dbraw/zinc/19/44/75/553194475.db2.gz	YNIFGNHTUBRHLX-QWTBPSOFSA-N	0	0	507.580	3.267	50	0	biogenic	KGAARN
CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)O[C@H]1[C@@H]([C@@H]2COC(C)(C)O2)O[C@@H]2OC(C)(C)O[C@H]21	ZINC000008964499	553194505	/nfs/dbraw/zinc/19/45/05/553194505.db2.gz	YNIFGNHTUBRHLX-PCVBXPLGSA-N	0	0	507.580	3.267	50	0	biogenic	KGAARN
C[C@]12C[C@@H](O)[C@@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@]2(O)C(=O)CSC(=S)N1CCOCC1	ZINC000008964555	553194751	/nfs/dbraw/zinc/19/47/51/553194751.db2.gz	GMQFYOHBEHRUEM-HZUWDXEBSA-N	0	0	507.718	3.140	50	0	biogenic	KGAARN
C[C@]12C[C@@H](O)[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@]2(O)C(=O)CSC(=S)N1CCOCC1	ZINC000008964556	553194752	/nfs/dbraw/zinc/19/47/52/553194752.db2.gz	GMQFYOHBEHRUEM-GYWWUCTRSA-N	0	0	507.718	3.140	50	0	biogenic	KGAARN
CCOC(=O)N1CCN(C(=O)c2ccccc2NC(=O)c2cccc(I)c2)CC1	ZINC000008983687	553196282	/nfs/dbraw/zinc/19/62/82/553196282.db2.gz	CUJDAXVGIXIEOU-UHFFFAOYSA-N	0	0	507.328	3.458	50	0		KGAARN
CC(=O)Oc1cc(OC(C)=O)c2c(C)c(CC(=O)N3CCN(c4ccc(Cl)cc4)CC3)c(=O)oc2c1	ZINC000008991880	553197034	/nfs/dbraw/zinc/19/70/34/553197034.db2.gz	KGTYJGXUXCTVRW-UHFFFAOYSA-N	0	0	512.946	3.497	50	0		KGAARN
CCc1nnc(NC(=O)c2cn(CC)c3cc(N4CCN(C(=O)c5ccco5)CC4)c(F)cc3c2=O)s1	ZINC000008995057	553197068	/nfs/dbraw/zinc/19/70/68/553197068.db2.gz	FLEXEDSLNDUWJX-UHFFFAOYSA-N	0	0	524.578	3.382	50	0		KGAARN
CCOc1ccc(N(Cc2cc(=O)n3cc(Cl)ccc3n2)C2=N[C@@H]3CS(=O)(=O)C[C@@H]3S2)cc1	ZINC000009003900	553197927	/nfs/dbraw/zinc/19/79/27/553197927.db2.gz	YNRODJYUGQJXAO-MOPGFXCFSA-N	0	0	505.021	3.022	50	0		KGAARN
CCOc1ccc(N(Cc2cc(=O)n3cc(Cl)ccc3n2)C2=N[C@H]3CS(=O)(=O)C[C@@H]3S2)cc1	ZINC000009003901	553197865	/nfs/dbraw/zinc/19/78/65/553197865.db2.gz	YNRODJYUGQJXAO-OALUTQOASA-N	0	0	505.021	3.022	50	0		KGAARN
CCOc1ccc(N(Cc2cc(=O)n3cc(Cl)ccc3n2)C2=N[C@@H]3CS(=O)(=O)C[C@H]3S2)cc1	ZINC000009003902	553197874	/nfs/dbraw/zinc/19/78/74/553197874.db2.gz	YNRODJYUGQJXAO-RTBURBONSA-N	0	0	505.021	3.022	50	0		KGAARN
CCOc1ccc(N(Cc2cc(=O)n3cc(Cl)ccc3n2)C2=N[C@H]3CS(=O)(=O)C[C@H]3S2)cc1	ZINC000009003903	553197871	/nfs/dbraw/zinc/19/78/71/553197871.db2.gz	YNRODJYUGQJXAO-RBUKOAKNSA-N	0	0	505.021	3.022	50	0		KGAARN
CCN(C(=O)CSc1nc2sc3c(c2c(=O)n1Cc1ccccc1)CCC3)[C@@H]1CCS(=O)(=O)C1	ZINC000009003908	553197915	/nfs/dbraw/zinc/19/79/15/553197915.db2.gz	XCIPZEQUTHWRRW-QGZVFWFLSA-N	0	0	517.698	3.123	50	0		KGAARN
CCN(C(=O)CSc1nc2sc3c(c2c(=O)n1Cc1ccccc1)CCC3)[C@H]1CCS(=O)(=O)C1	ZINC000009003909	553197895	/nfs/dbraw/zinc/19/78/95/553197895.db2.gz	XCIPZEQUTHWRRW-KRWDZBQOSA-N	0	0	517.698	3.123	50	0		KGAARN
COc1ccc(C)cc1-n1c(SCC(=O)N(C)[C@H]2CCS(=O)(=O)C2)nc2sc(C)c(C)c2c1=O	ZINC000009003941	553197877	/nfs/dbraw/zinc/19/78/77/553197877.db2.gz	YMUMKGYPOOFCMY-INIZCTEOSA-N	0	0	521.686	3.119	50	0		KGAARN
CCc1c(C)sc2nc(SCC(=O)N(C)[C@H]3CCS(=O)(=O)C3)n(-c3ccc(O)cc3C)c(=O)c12	ZINC000009003942	553197912	/nfs/dbraw/zinc/19/79/12/553197912.db2.gz	NJZWGAULRSDCIH-HNNXBMFYSA-N	0	0	521.686	3.070	50	0		KGAARN
Cc1sc2nc(SCC(=O)N(C)[C@H]3CCS(=O)(=O)C3)n(-c3cc(C)ccc3C)c(=O)c2c1C	ZINC000009003950	553198072	/nfs/dbraw/zinc/19/80/72/553198072.db2.gz	BTTONUBAFSPTTJ-KRWDZBQOSA-N	0	0	505.687	3.418	50	0		KGAARN
CCc1sc2nc(SCC(=O)N[C@H]3CCS(=O)(=O)C3)n(Cc3ccc(C)cc3)c(=O)c2c1C	ZINC000009003951	553198061	/nfs/dbraw/zinc/19/80/61/553198061.db2.gz	FFTCIFGBACZKHE-KRWDZBQOSA-N	0	0	505.687	3.081	50	0		KGAARN
CCN(C(=O)CSc1nc2sc(C)c(C)c2c(=O)n1Cc1ccccc1)[C@H]1CCS(=O)(=O)C1	ZINC000009003953	553198119	/nfs/dbraw/zinc/19/81/19/553198119.db2.gz	VKHZEFXQLGQLBI-SFHVURJKSA-N	0	0	505.687	3.251	50	0		KGAARN
COC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3F)c(=O)n2[C@H]1c1ccc(OC(=O)c2ccco2)cc1	ZINC000009008626	553199068	/nfs/dbraw/zinc/19/90/68/553199068.db2.gz	JLORHVZDKQOHHA-YJADQXIJSA-N	0	0	518.522	3.360	50	0		KGAARN
COC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3F)c(=O)n2[C@@H]1c1ccc(OC(=O)c2ccco2)cc1	ZINC000009008627	553199089	/nfs/dbraw/zinc/19/90/89/553199089.db2.gz	JLORHVZDKQOHHA-XOYGFPHKSA-N	0	0	518.522	3.360	50	0		KGAARN
Cc1ccnc(SCCCn2c(N3CCC(Cc4ccccc4)CC3)nc3c2c(=O)[nH]c(=O)n3C)n1	ZINC000009012404	553199887	/nfs/dbraw/zinc/19/98/87/553199887.db2.gz	UAEBYJBTOIILCY-UHFFFAOYSA-N	0	0	505.648	3.163	50	0		KGAARN
Cc1cc(C)nc(SCCn2c(N3CCC(Cc4ccccc4)CC3)nc3c2c(=O)[nH]c(=O)n3C)n1	ZINC000009015243	553200293	/nfs/dbraw/zinc/20/02/93/553200293.db2.gz	CWDRDBKKAAQZDN-UHFFFAOYSA-N	0	0	505.648	3.082	50	0		KGAARN
O=C(/C=C\c1ccc2c(c1)OCO2)NCCn1ncc2c1ncn(Cc1cccc(C(F)(F)F)c1)c2=O	ZINC000009016438	553200741	/nfs/dbraw/zinc/20/07/41/553200741.db2.gz	DCTIQWMCHGJNKF-ALCCZGGFSA-N	0	0	511.460	3.218	50	0		KGAARN
COc1ccc(CC(=O)NCCn2ncc3c2ncn(Cc2cccc(C(F)(F)F)c2)c3=O)cc1OC	ZINC000009016457	553200727	/nfs/dbraw/zinc/20/07/27/553200727.db2.gz	DRNOKVWWKBJSQH-UHFFFAOYSA-N	0	0	515.492	3.036	50	0		KGAARN
O=C(NCCn1ncc2c1ncn(Cc1cccc(C(F)(F)F)c1)c2=O)c1ccc(Br)o1	ZINC000009016470	553200771	/nfs/dbraw/zinc/20/07/71/553200771.db2.gz	ICJNOBRIIPTQJX-UHFFFAOYSA-N	0	0	510.270	3.446	50	0		KGAARN
COc1cc(C(=O)NCCn2ncc3c2ncn(Cc2cccc4ccccc42)c3=O)cc(OC)c1OC	ZINC000009016523	553200725	/nfs/dbraw/zinc/20/07/25/553200725.db2.gz	QWFNSUDQVKLPQH-UHFFFAOYSA-N	0	0	513.554	3.250	50	0		KGAARN
COc1cc(Cl)ccc1S(=O)(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2OC)[C@@H](C)C1	ZINC000009019061	553200719	/nfs/dbraw/zinc/20/07/19/553200719.db2.gz	FMBWPAVAQCDLIQ-ZDUSSCGKSA-N	0	0	509.433	3.094	50	0		KGAARN
NS(=O)(=O)c1ccc(NC(=O)c2cc3cc(Br)cc(Br)c3oc2=O)cc1	ZINC000009030265	553201329	/nfs/dbraw/zinc/20/13/29/553201329.db2.gz	CXBGYIADUFZKNH-UHFFFAOYSA-N	0	0	502.140	3.218	50	0		KGAARN
Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H](C(=O)NCCc3c[nH]c4ccccc34)C(C)C)CC2)cc1	ZINC000009034101	553201910	/nfs/dbraw/zinc/20/19/10/553201910.db2.gz	BAHZITRLRJAPJB-SANMLTNESA-N	0	0	524.687	3.377	50	0	biogenic	KGAARN
CCCCOC(=O)COC(=O)c1cc(I)cc(I)c1O	ZINC000009034213	553202070	/nfs/dbraw/zinc/20/20/70/553202070.db2.gz	OYGXFQNCGUVUKM-UHFFFAOYSA-N	0	0	504.058	3.102	50	0		KGAARN
CCOC(=O)Cc1cc(I)c(CC(=O)OCC)cc1I	ZINC000009034286	553202064	/nfs/dbraw/zinc/20/20/64/553202064.db2.gz	MQCRMQAHMHABFB-UHFFFAOYSA-N	0	0	502.086	3.107	50	0		KGAARN
CC(=O)OCCNC(=O)/C(=C\c1ccc(OS(=O)(=O)c2ccc(C)cc2)cc1)NC(=O)c1ccccc1	ZINC000009034297	553202105	/nfs/dbraw/zinc/20/21/05/553202105.db2.gz	GCYPLMQGBGUJEM-XIEYBQDHSA-N	0	0	522.579	3.213	50	0		KGAARN
Cc1c(N2C(=O)c3ccc(C(=O)OCC(=O)c4cccs4)cc3C2=O)c(=O)n(-c2ccccc2)n1C	ZINC000009065079	553205779	/nfs/dbraw/zinc/20/57/79/553205779.db2.gz	WFLKKBDFYXLEJW-UHFFFAOYSA-N	0	0	501.520	3.386	50	0		KGAARN
O=c1/c(=C\c2ccc(I)o2)sc2n1CN(c1cccc(C(F)(F)F)c1)CN=2	ZINC000009065093	553205730	/nfs/dbraw/zinc/20/57/30/553205730.db2.gz	LZEAZIPNQYYAOA-NTUHNPAUSA-N	0	0	505.259	3.010	50	0		KGAARN
COc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4cccc(OC(C)=O)c4)c(=O)n32)cc1	ZINC000009066225	553206126	/nfs/dbraw/zinc/20/61/26/553206126.db2.gz	ISKOHGRYYXFEPN-IGSWSUAKSA-N	0	0	506.580	3.121	50	0		KGAARN
CCn1cc(C(=O)NCc2ccncc2)c(=O)c2cc(F)c(N3CCN(C(=O)c4ccco4)CC3)cc21	ZINC000009082802	553208139	/nfs/dbraw/zinc/20/81/39/553208139.db2.gz	ATZIEOHBYNGTCO-UHFFFAOYSA-N	0	0	503.534	3.041	50	0		KGAARN
CCn1cc(C(=O)Nc2nnc(C)s2)c(=O)c2cc(F)c(N3CCN(C(=O)c4ccco4)CC3)cc21	ZINC000009087244	553208546	/nfs/dbraw/zinc/20/85/46/553208546.db2.gz	DWEZMGJLFVLWPK-UHFFFAOYSA-N	0	0	510.551	3.128	50	0		KGAARN
CCOc1ccc(-c2cn3c(nc4c3c(=O)n(C)c(=O)n4C)n2-c2ccc3c(c2)OCCO3)cc1Cl	ZINC000009109598	553209920	/nfs/dbraw/zinc/20/99/20/553209920.db2.gz	GHQNUDMKQBFZBK-UHFFFAOYSA-N	0	0	507.934	3.166	50	0		KGAARN
CCOC(=O)CCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(I)cc2)cc1	ZINC000009113598	553210839	/nfs/dbraw/zinc/21/08/39/553210839.db2.gz	DRCKIKFFAPFAJT-UHFFFAOYSA-N	0	0	502.330	3.374	50	0		KGAARN
O=C(Cn1c2c3ccccc3oc2c(=O)n(Cc2ccc3c(c2)OCO3)c1=O)Nc1ccc2c(c1)OCO2	ZINC000009116568	553211531	/nfs/dbraw/zinc/21/15/31/553211531.db2.gz	CZZQRZDRHBVNAT-UHFFFAOYSA-N	0	0	513.462	3.054	50	0		KGAARN
COc1ccc(Cn2c(=O)c3oc4ccccc4c3n(CC(=O)Nc3ccc4c(c3)OCCO4)c2=O)cc1	ZINC000009116600	553211503	/nfs/dbraw/zinc/21/15/03/553211503.db2.gz	GOTCAOORTZXKPE-UHFFFAOYSA-N	0	0	513.506	3.376	50	0		KGAARN
O=C(CSc1ccc2nnc(CCNS(=O)(=O)c3ccccc3)n2n1)Nc1cccc(Cl)c1	ZINC000009116664	553211523	/nfs/dbraw/zinc/21/15/23/553211523.db2.gz	DECGOQGUTQZUQT-UHFFFAOYSA-N	0	0	503.009	3.030	50	0		KGAARN
O=C(CSc1ccc2nnc(CCNS(=O)(=O)c3ccccc3)n2n1)Nc1ccc(Cl)cc1	ZINC000009116665	553211516	/nfs/dbraw/zinc/21/15/16/553211516.db2.gz	OQBIVKUKKNARQA-UHFFFAOYSA-N	0	0	503.009	3.030	50	0		KGAARN
Cc1ccc(S(=O)(=O)NCCc2nnc3ccc(SCC(=O)N4CCCc5ccccc54)nn32)cc1	ZINC000009116699	553211553	/nfs/dbraw/zinc/21/15/53/553211553.db2.gz	LHXLDQAYLHSZNV-UHFFFAOYSA-N	0	0	522.656	3.025	50	0		KGAARN
Cc1ccc(S(=O)(=O)NCCc2nnc3ccc(SCC(=O)Nc4cccc(C)c4C)nn32)cc1	ZINC000009116706	553211525	/nfs/dbraw/zinc/21/15/25/553211525.db2.gz	VBVSBMRQCFFGMF-UHFFFAOYSA-N	0	0	510.645	3.301	50	0		KGAARN
Cc1ccc(S(=O)(=O)NCCc2nnc3ccc(SCC(=O)Nc4cc(C)ccc4C)nn32)cc1	ZINC000009116707	553211512	/nfs/dbraw/zinc/21/15/12/553211512.db2.gz	NPJSRXHZHKGVLN-UHFFFAOYSA-N	0	0	510.645	3.301	50	0		KGAARN
Cc1ccc(S(=O)(=O)NCCc2nnc3ccc(SCC(=O)Nc4ccc(C)cc4C)nn32)cc1	ZINC000009116708	553211557	/nfs/dbraw/zinc/21/15/57/553211557.db2.gz	OBRVHXCJNCIBOD-UHFFFAOYSA-N	0	0	510.645	3.301	50	0		KGAARN
Cc1ccc(S(=O)(=O)NCCc2nnc3ccc(SCC(=O)Nc4cc(C)cc(C)c4)nn32)cc1	ZINC000009116709	553211492	/nfs/dbraw/zinc/21/14/92/553211492.db2.gz	HNIIVCFALRVCJT-UHFFFAOYSA-N	0	0	510.645	3.301	50	0		KGAARN
CCc1ccc(NC(=O)CSc2ccc3nnc(CCNS(=O)(=O)c4ccc(C)cc4)n3n2)cc1	ZINC000009116710	553211519	/nfs/dbraw/zinc/21/15/19/553211519.db2.gz	PGZWKZCWTNWVFG-UHFFFAOYSA-N	0	0	510.645	3.247	50	0		KGAARN
Cc1ccc(S(=O)(=O)NCCc2nnc3ccc(SCC(=O)Nc4cccc(Cl)c4)nn32)cc1	ZINC000009116714	553211695	/nfs/dbraw/zinc/21/16/95/553211695.db2.gz	LGQHRXDLTGEINV-UHFFFAOYSA-N	0	0	517.036	3.338	50	0		KGAARN
Cc1ccc(S(=O)(=O)NCCc2nnc3ccc(SCC(=O)Nc4ccc(Cl)cc4)nn32)cc1	ZINC000009116715	553211666	/nfs/dbraw/zinc/21/16/66/553211666.db2.gz	CGPPTRPOUJICOH-UHFFFAOYSA-N	0	0	517.036	3.338	50	0		KGAARN
COc1ccc(S(=O)(=O)NCCc2nnc3ccc(SCC(=O)c4ccc(Cl)cc4)nn32)cc1	ZINC000009116762	553211628	/nfs/dbraw/zinc/21/16/28/553211628.db2.gz	PULCPUWFWMPXIZ-UHFFFAOYSA-N	0	0	518.020	3.282	50	0		KGAARN
COc1cccc(N2CCN(c3ccc4nnc(CCC(=O)Nc5ccc(OC)c(OC)c5)n4n3)CC2)c1	ZINC000009118758	553211890	/nfs/dbraw/zinc/21/18/90/553211890.db2.gz	DHEVMZJOGLBPPH-UHFFFAOYSA-N	0	0	517.590	3.048	50	0		KGAARN
COc1cccc(N2CCN(c3ccc4nnc(CCC(=O)Nc5cc(OC)cc(OC)c5)n4n3)CC2)c1	ZINC000009118771	553211897	/nfs/dbraw/zinc/21/18/97/553211897.db2.gz	XGXPAGWMYMETGH-UHFFFAOYSA-N	0	0	517.590	3.048	50	0		KGAARN
CCOC(=O)c1cccc(NC(=O)CCc2nnc3ccc(N4CCN(c5cccc(OC)c5)CC4)nn32)c1	ZINC000009118772	553211899	/nfs/dbraw/zinc/21/18/99/553211899.db2.gz	SDSJPQABSJSJPS-UHFFFAOYSA-N	0	0	529.601	3.208	50	0		KGAARN
CCOc1ccc(NC(=O)CCc2nnc3ccc(N4CCN(c5cccc(OC)c5)CC4)nn32)cc1	ZINC000009118785	553211892	/nfs/dbraw/zinc/21/18/92/553211892.db2.gz	ITQCGDDCMUHBNF-UHFFFAOYSA-N	0	0	501.591	3.430	50	0		KGAARN
CCOC(=O)c1ccc(NC(=O)CCc2nnc3ccc(N4CCN(c5cccc(OC)c5)CC4)nn32)cc1	ZINC000009118793	553211868	/nfs/dbraw/zinc/21/18/68/553211868.db2.gz	DRUUEWXRPVWBKR-UHFFFAOYSA-N	0	0	529.601	3.208	50	0		KGAARN
COc1cccc(N2CCN(c3ccc4nnc(CCC(=O)NCCc5c[nH]c6ccccc56)n4n3)CC2)c1	ZINC000009118836	553212094	/nfs/dbraw/zinc/21/20/94/553212094.db2.gz	BHGGTHILVLUAJR-UHFFFAOYSA-N	0	0	524.629	3.232	50	0		KGAARN
CCOC(=O)c1ccccc1NC(=O)CCc1nnc2ccc(N3CCN(c4cccc(OC)c4)CC3)nn21	ZINC000009118841	553212127	/nfs/dbraw/zinc/21/21/27/553212127.db2.gz	JGCDAXGQLAZMRJ-UHFFFAOYSA-N	0	0	529.601	3.208	50	0		KGAARN
CCOc1ccccc1NC(=O)CCc1nnc2ccc(N3CCN(c4cccc(OC)c4)CC3)nn21	ZINC000009118850	553212154	/nfs/dbraw/zinc/21/21/54/553212154.db2.gz	NUOCWYNDASLMCF-UHFFFAOYSA-N	0	0	501.591	3.430	50	0		KGAARN
COc1cccc(N2CCN(c3ccc4nnc(CCC(=O)NCCc5ccc(SC)cc5)n4n3)CC2)c1	ZINC000009118865	553212175	/nfs/dbraw/zinc/21/21/75/553212175.db2.gz	WXZGGSVENARWCQ-UHFFFAOYSA-N	0	0	531.686	3.473	50	0		KGAARN
COc1cccc(N2CCN(c3ccc4nnc(CCC(=O)N[C@@H](C)CCc5ccco5)n4n3)CC2)c1	ZINC000009118873	553212174	/nfs/dbraw/zinc/21/21/74/553212174.db2.gz	GKNIMMWKVKMUSK-FQEVSTJZSA-N	0	0	503.607	3.123	50	0		KGAARN
COc1cccc(N2CCN(c3ccc4nnc(CCC(=O)N[C@H](C)CCc5ccco5)n4n3)CC2)c1	ZINC000009118874	553212171	/nfs/dbraw/zinc/21/21/71/553212171.db2.gz	GKNIMMWKVKMUSK-HXUWFJFHSA-N	0	0	503.607	3.123	50	0		KGAARN
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC(C(=O)NCC(=O)Nc2ccc(F)cc2)CC1	ZINC000009130189	553213210	/nfs/dbraw/zinc/21/32/10/553213210.db2.gz	JPJJTIOFONYSLI-QHCPKHFHSA-N	0	0	526.609	3.255	50	0		KGAARN
CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC(C(=O)NCC(=O)Nc2ccc(F)cc2)CC1	ZINC000009130190	553213232	/nfs/dbraw/zinc/21/32/32/553213232.db2.gz	JPJJTIOFONYSLI-HSZRJFAPSA-N	0	0	526.609	3.255	50	0		KGAARN
S=C(NC1CCCCC1)N1CCOCCOCCN(C(=S)NC2CCCCC2)CCOCC1	ZINC000009144785	553213751	/nfs/dbraw/zinc/21/37/51/553213751.db2.gz	ZMNXMOKINXYKQK-UHFFFAOYSA-N	0	0	500.775	3.068	50	0		KGAARN
CCn1cc(C(=O)Nc2ncccc2O)c(=O)c2cc(F)c(N3CCN(C(=O)c4ccco4)CC3)cc21	ZINC000009145000	553214026	/nfs/dbraw/zinc/21/40/26/553214026.db2.gz	RURYONQFSLEZTE-UHFFFAOYSA-N	0	0	505.506	3.069	50	0		KGAARN
COc1ccc(OC)c(NC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)C[C@@H](C)N4C(C)=O)CC2)c1	ZINC000009152175	553214029	/nfs/dbraw/zinc/21/40/29/553214029.db2.gz	ZBEGKHKATHNSPY-MRXNPFEDSA-N	0	0	501.605	3.041	50	0		KGAARN
COc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)C[C@@H](C)N4C(C)=O)CC2)cc1OC	ZINC000009152182	553213991	/nfs/dbraw/zinc/21/39/91/553213991.db2.gz	JHDMAISBSOEDPB-MRXNPFEDSA-N	0	0	501.605	3.041	50	0		KGAARN
COc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)C[C@H](C)N4C(C)=O)CC2)cc1OC	ZINC000009152183	553214005	/nfs/dbraw/zinc/21/40/05/553214005.db2.gz	JHDMAISBSOEDPB-INIZCTEOSA-N	0	0	501.605	3.041	50	0		KGAARN
COc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)C[C@@H](C)N4C(C)=O)CC2)c(OC)c1	ZINC000009152184	553214028	/nfs/dbraw/zinc/21/40/28/553214028.db2.gz	IJMBEIMSKIOIMX-MRXNPFEDSA-N	0	0	501.605	3.041	50	0		KGAARN
COc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)C[C@H](C)N4C(C)=O)CC2)c(OC)c1	ZINC000009152185	553214013	/nfs/dbraw/zinc/21/40/13/553214013.db2.gz	IJMBEIMSKIOIMX-INIZCTEOSA-N	0	0	501.605	3.041	50	0		KGAARN
CCOC(=O)c1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)C[C@H](C)N4C(C)=O)CC2)cc1	ZINC000009152190	553214124	/nfs/dbraw/zinc/21/41/24/553214124.db2.gz	JZVFPTRYWVAPPQ-KRWDZBQOSA-N	0	0	513.616	3.200	50	0		KGAARN
CCOC(=O)c1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)C[C@@H](C)N4C(C)=O)CC2)cc1	ZINC000009152191	553214096	/nfs/dbraw/zinc/21/40/96/553214096.db2.gz	JZVFPTRYWVAPPQ-QGZVFWFLSA-N	0	0	513.616	3.200	50	0		KGAARN
CC(=O)N1c2ccc(S(=O)(=O)N3CCC(C(=O)NCCc4ccc(Cl)cc4)CC3)cc2C[C@H]1C	ZINC000009152192	553214147	/nfs/dbraw/zinc/21/41/47/553214147.db2.gz	IVQCFUOJVRJXRM-QGZVFWFLSA-N	0	0	504.052	3.397	50	0		KGAARN
CC(=O)N1c2ccc(S(=O)(=O)N3CCC(C(=O)NCCc4ccc(Cl)cc4)CC3)cc2C[C@@H]1C	ZINC000009152193	553214090	/nfs/dbraw/zinc/21/40/90/553214090.db2.gz	IVQCFUOJVRJXRM-KRWDZBQOSA-N	0	0	504.052	3.397	50	0		KGAARN
COc1cc(NC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)C[C@@H](C)N4C(C)=O)CC2)cc(OC)c1OC	ZINC000009152194	553214115	/nfs/dbraw/zinc/21/41/15/553214115.db2.gz	FIQBTSHFDAUFLA-MRXNPFEDSA-N	0	0	531.631	3.049	50	0		KGAARN
COc1cc(NC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)C[C@H](C)N4C(C)=O)CC2)cc(OC)c1OC	ZINC000009152195	553214164	/nfs/dbraw/zinc/21/41/64/553214164.db2.gz	FIQBTSHFDAUFLA-INIZCTEOSA-N	0	0	531.631	3.049	50	0		KGAARN
COc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)C[C@@H](C)N4C(=O)C3CC3)CC2)cc1OC	ZINC000009152210	553214110	/nfs/dbraw/zinc/21/41/10/553214110.db2.gz	GQXGTXAAOWUDRX-QGZVFWFLSA-N	0	0	527.643	3.431	50	0		KGAARN
COc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)C[C@H](C)N4C(=O)C3CC3)CC2)cc1OC	ZINC000009152211	553214079	/nfs/dbraw/zinc/21/40/79/553214079.db2.gz	GQXGTXAAOWUDRX-KRWDZBQOSA-N	0	0	527.643	3.431	50	0		KGAARN
COc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)C[C@@H](C)N4C(=O)C3CC3)CC2)c(OC)c1	ZINC000009152212	553214099	/nfs/dbraw/zinc/21/40/99/553214099.db2.gz	HEHNNKYFFVKJIW-QGZVFWFLSA-N	0	0	527.643	3.431	50	0		KGAARN
COc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)C[C@H](C)N4C(=O)C3CC3)CC2)c(OC)c1	ZINC000009152213	553214105	/nfs/dbraw/zinc/21/41/05/553214105.db2.gz	HEHNNKYFFVKJIW-KRWDZBQOSA-N	0	0	527.643	3.431	50	0		KGAARN
COc1ccccc1CNC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)C[C@@H](C)N3C(=O)C2CC2)CC1	ZINC000009152218	553214092	/nfs/dbraw/zinc/21/40/92/553214092.db2.gz	XQEIIQMDBODELU-GOSISDBHSA-N	0	0	511.644	3.100	50	0		KGAARN
COc1ccccc1CNC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)C[C@H](C)N3C(=O)C2CC2)CC1	ZINC000009152219	553214143	/nfs/dbraw/zinc/21/41/43/553214143.db2.gz	XQEIIQMDBODELU-SFHVURJKSA-N	0	0	511.644	3.100	50	0		KGAARN
COc1ccc(CNC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)C[C@@H](C)N4C(=O)C3CC3)CC2)cc1	ZINC000009152222	553214321	/nfs/dbraw/zinc/21/43/21/553214321.db2.gz	LSMWBWPKWWEBDO-GOSISDBHSA-N	0	0	511.644	3.100	50	0		KGAARN
COc1ccc(CNC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)C[C@H](C)N4C(=O)C3CC3)CC2)cc1	ZINC000009152223	553214334	/nfs/dbraw/zinc/21/43/34/553214334.db2.gz	LSMWBWPKWWEBDO-SFHVURJKSA-N	0	0	511.644	3.100	50	0		KGAARN
C[C@@H]1Cc2cc(S(=O)(=O)N3CCC(C(=O)N4CCc5ccccc5C4)CC3)ccc2N1C(=O)C1CC1	ZINC000009152228	553214340	/nfs/dbraw/zinc/21/43/40/553214340.db2.gz	MTVBLROBGBUAQF-LJQANCHMSA-N	0	0	507.656	3.360	50	0		KGAARN
C[C@H]1Cc2cc(S(=O)(=O)N3CCC(C(=O)N4CCc5ccccc5C4)CC3)ccc2N1C(=O)C1CC1	ZINC000009152229	553214308	/nfs/dbraw/zinc/21/43/08/553214308.db2.gz	MTVBLROBGBUAQF-IBGZPJMESA-N	0	0	507.656	3.360	50	0		KGAARN
Cc1ccc(CCNC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)C[C@H](C)N4C(=O)C3CC3)CC2)cc1	ZINC000009152232	553214315	/nfs/dbraw/zinc/21/43/15/553214315.db2.gz	ZMKPGEHOWQSJRO-FQEVSTJZSA-N	0	0	509.672	3.442	50	0		KGAARN
Cc1ccc(CCNC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)C[C@@H](C)N4C(=O)C3CC3)CC2)cc1	ZINC000009152233	553214337	/nfs/dbraw/zinc/21/43/37/553214337.db2.gz	ZMKPGEHOWQSJRO-HXUWFJFHSA-N	0	0	509.672	3.442	50	0		KGAARN
COc1cccc(CNC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)C[C@@H](C)N4C(=O)C3CC3)CC2)c1	ZINC000009152234	553214329	/nfs/dbraw/zinc/21/43/29/553214329.db2.gz	DWUOIWWGFIMJKJ-GOSISDBHSA-N	0	0	511.644	3.100	50	0		KGAARN
COc1cccc(CNC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)C[C@H](C)N4C(=O)C3CC3)CC2)c1	ZINC000009152235	553214339	/nfs/dbraw/zinc/21/43/39/553214339.db2.gz	DWUOIWWGFIMJKJ-SFHVURJKSA-N	0	0	511.644	3.100	50	0		KGAARN
CCOc1ccc(-c2cc(C(=O)N3CCN(S(=O)(=O)c4ccc(Br)cc4)CC3)[nH]n2)cc1	ZINC000009152299	553214322	/nfs/dbraw/zinc/21/43/22/553214322.db2.gz	VHFILWUKUSQFAP-UHFFFAOYSA-N	0	0	519.421	3.385	50	0		KGAARN
COc1ccccc1N1CCN(c2nc3c(S(=O)(=O)c4ccccc4)nnn3c3ccccc32)CC1	ZINC000009152480	553214551	/nfs/dbraw/zinc/21/45/51/553214551.db2.gz	RIEHDHRAVFHMPR-UHFFFAOYSA-N	0	0	500.584	3.446	50	0		KGAARN
Cc1ccc(S(=O)(=O)c2nnn3c2nc(N2CCN(C(=O)c4ccco4)CC2)c2ccccc23)cc1C	ZINC000009152495	553214632	/nfs/dbraw/zinc/21/46/32/553214632.db2.gz	YDFUXEVLPOOMBF-UHFFFAOYSA-N	0	0	516.583	3.283	50	0		KGAARN
CC(=O)c1ccc(N2CCN(C(=O)[C@@H]3CCCN(c4ncnc5c4nc4n5CCCCC4)C3)CC2)cc1	ZINC000009153368	553214639	/nfs/dbraw/zinc/21/46/39/553214639.db2.gz	MHABEPWQJCDEMM-JOCHJYFZSA-N	0	0	501.635	3.321	50	0		KGAARN
CC(=O)c1ccc(N2CCN(C(=O)[C@H]3CCCN(c4ncnc5c4nc4n5CCCCC4)C3)CC2)cc1	ZINC000009153369	553214641	/nfs/dbraw/zinc/21/46/41/553214641.db2.gz	MHABEPWQJCDEMM-QFIPXVFZSA-N	0	0	501.635	3.321	50	0		KGAARN
CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(C[C@@H]2CCCO2)c1=NC(=O)c1c(F)cccc1F	ZINC000009159048	1059669439	/nfs/dbraw/zinc/66/94/39/1059669439.db2.gz	PLAWRYJZDOGQGP-INIZCTEOSA-N	0	0	522.508	3.333	50	0		KGAARN
CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(C[C@H]2CCCO2)c1=NC(=O)c1c(F)cccc1F	ZINC000009159050	1059669503	/nfs/dbraw/zinc/66/95/03/1059669503.db2.gz	PLAWRYJZDOGQGP-MRXNPFEDSA-N	0	0	522.508	3.333	50	0		KGAARN
C[C@H]1CCc2c(sc(NC(=O)c3cc4ccccc4oc3=O)c2C(=O)N[C@@H]2CCS(=O)(=O)C2)C1	ZINC000009159586	553215288	/nfs/dbraw/zinc/21/52/88/553215288.db2.gz	BDTNUETXZNGJHY-DZGCQCFKSA-N	0	0	500.598	3.149	50	0		KGAARN
CCn1cc(C(=O)N[C@H](C(=O)Nc2ccc3oc(=O)ccc3c2)C(C)C)c(=O)c2cc3c(cc21)OCO3	ZINC000009184171	553216828	/nfs/dbraw/zinc/21/68/28/553216828.db2.gz	RQJBADBYKQRULL-DEOSSOPVSA-N	0	0	503.511	3.250	50	0		KGAARN
CCOCCCn1c2nc3c(C)cccn3c(=O)c2cc(C(=O)OCC)c1=NC(=O)c1ccccc1F	ZINC000009185441	1059670787	/nfs/dbraw/zinc/67/07/87/1059670787.db2.gz	BESQKQPYPXKAHU-UHFFFAOYSA-N	0	0	506.534	3.441	50	0		KGAARN
Cc1nn(CC(=O)Nc2ccc(OCC(=O)N3CCN(c4ccccc4)CC3)cc2)c(=O)c2ccccc12	ZINC000009191244	553218354	/nfs/dbraw/zinc/21/83/54/553218354.db2.gz	KTWBFSZMIVTRKB-UHFFFAOYSA-N	0	0	511.582	3.071	50	0		KGAARN
CCOC(=O)N1CCN(C(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)CC1	ZINC000009191318	553218428	/nfs/dbraw/zinc/21/84/28/553218428.db2.gz	GSJWOVMBFCRLDP-UHFFFAOYSA-N	0	0	500.404	3.489	50	0		KGAARN
Cc1cc(C)nc(SCCn2c(N3CCC(Cc4ccccc4)CC3)nc3c2c(=O)n(C)c(=O)n3C)n1	ZINC000009192953	553218915	/nfs/dbraw/zinc/21/89/15/553218915.db2.gz	DNUIFSGXYYJCSB-UHFFFAOYSA-N	0	0	519.675	3.092	50	0		KGAARN
Cc1ccccc1CCN(C(=O)Cn1nnc2ccccc21)[C@H](C(=O)NC[C@@H]1CCCO1)c1ccco1	ZINC000009193782	553219273	/nfs/dbraw/zinc/21/92/73/553219273.db2.gz	WXSLFSYYJYCONH-CUNXSJBXSA-N	0	0	501.587	3.441	50	0		KGAARN
Cc1ccccc1CCN(C(=O)Cn1nnc2ccccc21)[C@@H](C(=O)NC[C@@H]1CCCO1)c1ccco1	ZINC000009193787	553219298	/nfs/dbraw/zinc/21/92/98/553219298.db2.gz	WXSLFSYYJYCONH-WXVAWEFUSA-N	0	0	501.587	3.441	50	0		KGAARN
Cc1ccccc1CCN(C(=O)Cn1nnc2ccccc21)[C@H](C(=O)NC[C@H]1CCCO1)c1ccco1	ZINC000009193792	553219274	/nfs/dbraw/zinc/21/92/74/553219274.db2.gz	WXSLFSYYJYCONH-AMGIVPHBSA-N	0	0	501.587	3.441	50	0		KGAARN
Cc1ccccc1CCN(C(=O)Cn1nnc2ccccc21)[C@@H](C(=O)NC[C@H]1CCCO1)c1ccco1	ZINC000009193796	553219296	/nfs/dbraw/zinc/21/92/96/553219296.db2.gz	WXSLFSYYJYCONH-AJTFRIOCSA-N	0	0	501.587	3.441	50	0		KGAARN
O=c1[nH]c(C2CCN(S(=O)(=O)c3ccccc3F)CC2)nc2c1nnn2Cc1ccc(Cl)cc1	ZINC000009195595	553219706	/nfs/dbraw/zinc/21/97/06/553219706.db2.gz	RCCSELMRRZFKON-UHFFFAOYSA-N	0	0	502.959	3.336	50	0		KGAARN
COc1ccc(CC(=O)N2CCC(c3nc4c(nnn4Cc4ccc(F)cc4)c(=O)[nH]3)CC2)cc1OC	ZINC000009202395	553220021	/nfs/dbraw/zinc/22/00/21/553220021.db2.gz	CHXBZDJCDMCBLK-UHFFFAOYSA-N	0	0	506.538	3.080	50	0		KGAARN
Cc1ccc(S(=O)(=O)c2nc(S(=O)(=O)c3ccccc3)sc2N2CCC3(CC2)OCCO3)cc1	ZINC000009203172	553220073	/nfs/dbraw/zinc/22/00/73/553220073.db2.gz	KNPHGUHURRQIMI-UHFFFAOYSA-N	0	0	520.654	3.460	50	0		KGAARN
COc1cccc(CN(C2CC2)S(=O)(=O)c2ccc(S(=O)(=O)N3CCC[C@@H](C)C3)cc2)c1OC	ZINC000009203501	553220240	/nfs/dbraw/zinc/22/02/40/553220240.db2.gz	LOSNOXIUUPUVLR-GOSISDBHSA-N	0	0	508.662	3.478	50	0		KGAARN
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CCCOC(C)C)c1=NC(=O)c1ccc(OC)cc1	ZINC000009209406	1059670693	/nfs/dbraw/zinc/67/06/93/1059670693.db2.gz	CFAWYERXQMFNEP-UHFFFAOYSA-N	0	0	518.570	3.391	50	0		KGAARN
CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(C[C@@H]2CCCO2)c1=NC(=O)c1ccc(F)cc1	ZINC000009209672	1059670761	/nfs/dbraw/zinc/67/07/61/1059670761.db2.gz	SNUOIOLIIQYOFK-IBGZPJMESA-N	0	0	504.518	3.194	50	0		KGAARN
COc1cc(NC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)C[C@@H](C)N4C(C)=O)CC2)cc(OC)c1	ZINC000009211666	553221319	/nfs/dbraw/zinc/22/13/19/553221319.db2.gz	VSOIJWCDPZABMB-MRXNPFEDSA-N	0	0	501.605	3.041	50	0		KGAARN
COc1cc(NC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)C[C@H](C)N4C(C)=O)CC2)cc(OC)c1	ZINC000009211667	553221351	/nfs/dbraw/zinc/22/13/51/553221351.db2.gz	VSOIJWCDPZABMB-INIZCTEOSA-N	0	0	501.605	3.041	50	0		KGAARN
CCOCCCn1c2nc3c(C)cccn3c(=O)c2cc(C(=O)OCC)c1=NC(=O)c1ccc(F)cc1	ZINC000009216477	1059670541	/nfs/dbraw/zinc/67/05/41/1059670541.db2.gz	GFZIDAGELPBKLB-UHFFFAOYSA-N	0	0	506.534	3.441	50	0		KGAARN
COc1ccc(NC(=O)CCSc2nnc(NC(=O)CCn3cnc4ccccc4c3=O)s2)cc1	ZINC000009226897	553222239	/nfs/dbraw/zinc/22/22/39/553222239.db2.gz	PAPDVCAQOYQETN-UHFFFAOYSA-N	0	0	510.601	3.406	50	0		KGAARN
O=C(COc1ccc(N2C[C@H](C(=O)NCc3ccc4c(c3)OCO4)CC2=O)cc1)Nc1ccccc1F	ZINC000009232205	553223507	/nfs/dbraw/zinc/22/35/07/553223507.db2.gz	IUVBAIQROXKTBB-GOSISDBHSA-N	0	0	505.502	3.241	50	0		KGAARN
CCc1ccc(N2C[C@@H](C(=O)NCC(C)(C)CNC(=O)[C@H]3CC(=O)N(c4ccc(CC)cc4)C3)CC2=O)cc1	ZINC000009233816	553224552	/nfs/dbraw/zinc/22/45/52/553224552.db2.gz	KZLJPIRBMRMRKR-ZEQRLZLVSA-N	0	0	532.685	3.476	50	0		KGAARN
COc1ccc(NS(=O)(=O)c2ccc(NC(=O)CN(c3ccc(F)cc3)S(C)(=O)=O)cc2)cc1	ZINC000009246605	553227312	/nfs/dbraw/zinc/22/73/12/553227312.db2.gz	RIFHIASRQQDGDD-UHFFFAOYSA-N	0	0	507.565	3.040	50	0		KGAARN
COc1ccc(CC(=O)Nc2c3ccccc3oc2C(=O)N2CCN(c3ncccn3)CC2)cc1OC	ZINC000009251289	553227807	/nfs/dbraw/zinc/22/78/07/553227807.db2.gz	GOYLTMCNEVADIE-UHFFFAOYSA-N	0	0	501.543	3.384	50	0		KGAARN
Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3c4ccccc4oc3C(=O)N3CCOCC3)CC2)cc1	ZINC000009251293	553227733	/nfs/dbraw/zinc/22/77/33/553227733.db2.gz	UEMQTNSTYJYQTP-UHFFFAOYSA-N	0	0	511.600	3.253	50	0		KGAARN
CCOC(=O)c1ccc2sc(NC(=O)COC(=O)CCC(=O)Nc3ccccc3C(=O)OC)nc2c1	ZINC000009261814	553228303	/nfs/dbraw/zinc/22/83/03/553228303.db2.gz	CIXFXWFGMRGYGQ-UHFFFAOYSA-N	0	0	513.528	3.160	50	0		KGAARN
CCOC(=O)c1ccc(NC(=O)CSc2nnc([C@@H](C)NC(=O)Cc3ccc(OC)cc3)n2C)cc1	ZINC000009262543	553228450	/nfs/dbraw/zinc/22/84/50/553228450.db2.gz	UMTJUILIYCHJHE-MRXNPFEDSA-N	0	0	511.604	3.151	50	0		KGAARN
CCOC(=O)c1ccc(NC(=O)CSc2nnc([C@H](C)NC(=O)Cc3ccc(OC)cc3)n2C)cc1	ZINC000009262546	553228466	/nfs/dbraw/zinc/22/84/66/553228466.db2.gz	UMTJUILIYCHJHE-INIZCTEOSA-N	0	0	511.604	3.151	50	0		KGAARN
CCOC(=O)c1ccc(NC(=O)CSc2nnc(CCNC(=O)c3ccc(OC)cc3)n2CC)cc1	ZINC000009262550	553228437	/nfs/dbraw/zinc/22/84/37/553228437.db2.gz	PZBNIEFFGDLNHD-UHFFFAOYSA-N	0	0	511.604	3.187	50	0		KGAARN
CCOC(=O)c1cccc(NC(=O)CSc2nnc([C@@H](C)NC(=O)Cc3ccc(OC)cc3)n2C)c1	ZINC000009262558	553228659	/nfs/dbraw/zinc/22/86/59/553228659.db2.gz	HDLKVERCAMNQTE-MRXNPFEDSA-N	0	0	511.604	3.151	50	0		KGAARN
CCOC(=O)c1cccc(NC(=O)CSc2nnc([C@H](C)NC(=O)Cc3ccc(OC)cc3)n2C)c1	ZINC000009262561	553228699	/nfs/dbraw/zinc/22/86/99/553228699.db2.gz	HDLKVERCAMNQTE-INIZCTEOSA-N	0	0	511.604	3.151	50	0		KGAARN
COc1ccc(CC(=O)NCc2nnc(SCC(=O)Nc3cccc(Br)c3)n2C)cc1	ZINC000009262597	553228654	/nfs/dbraw/zinc/22/86/54/553228654.db2.gz	GUPPUPRDKUAEOC-UHFFFAOYSA-N	0	0	504.410	3.176	50	0		KGAARN
COc1ccc(C(=O)c2cn(CC(=O)NCCc3ccc(OC)c(OC)c3)c3nc(C)ccc3c2=O)cc1	ZINC000009267897	553230231	/nfs/dbraw/zinc/23/02/31/553230231.db2.gz	GEZCYKXWLBYPQB-UHFFFAOYSA-N	0	0	515.566	3.321	50	0		KGAARN
COc1cc(CCN2C(=O)c3cccc4cccc(c43)C2=O)c(S(=O)(=O)NC[C@@H]2CCCO2)cc1OC	ZINC000009272235	553231475	/nfs/dbraw/zinc/23/14/75/553231475.db2.gz	OGXHGDVYDVLNBD-IBGZPJMESA-N	0	0	524.595	3.153	50	0		KGAARN
CCc1ccccc1NC(=O)Cn1c2ccccc2c(=O)n(Cc2nc(-c3ccc(OC)cc3)no2)c1=O	ZINC000009274725	553232628	/nfs/dbraw/zinc/23/26/28/553232628.db2.gz	FSYODHRVUNJHBU-UHFFFAOYSA-N	0	0	511.538	3.471	50	0		KGAARN
CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(C[C@@H]2CCCO2)c1=NC(=O)c1ccc(OC)cc1	ZINC000009281127	1059670664	/nfs/dbraw/zinc/67/06/64/1059670664.db2.gz	ARRYIRVUBVLJBW-FQEVSTJZSA-N	0	0	516.554	3.063	50	0		KGAARN
CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(CCCOC)c1=NC(=O)c1ccc(OCC)cc1	ZINC000009281259	1059670809	/nfs/dbraw/zinc/67/08/09/1059670809.db2.gz	HFJVVLZBWSZOIG-UHFFFAOYSA-N	0	0	518.570	3.311	50	0		KGAARN
CCOCCCn1c2nc3ccccn3c(=O)c2cc(C(=O)OCC)c1=NC(=O)c1ccccc1OCC	ZINC000009281471	1059670627	/nfs/dbraw/zinc/67/06/27/1059670627.db2.gz	ASBYDKKWPBRFSJ-UHFFFAOYSA-N	0	0	518.570	3.392	50	0		KGAARN
CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(C[C@@H]2CCCO2)c1=NC(=O)/C=C/c1ccccc1	ZINC000009281859	1059670721	/nfs/dbraw/zinc/67/07/21/1059670721.db2.gz	ODNZAVDFLIKYRP-FWDHOCBVSA-N	0	0	512.566	3.454	50	0		KGAARN
CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(C[C@H]2CCCO2)c1=NC(=O)/C=C/c1ccccc1	ZINC000009281860	1059670827	/nfs/dbraw/zinc/67/08/27/1059670827.db2.gz	ODNZAVDFLIKYRP-QWKZWNMLSA-N	0	0	512.566	3.454	50	0		KGAARN
CCOCCCn1c2nc3ccccn3c(=O)c2cc(C(=O)OCC)c1=NC(=O)c1c(F)cccc1F	ZINC000009281956	1059670582	/nfs/dbraw/zinc/67/05/82/1059670582.db2.gz	FEABAXULGQQULE-UHFFFAOYSA-N	0	0	510.497	3.272	50	0		KGAARN
CCOCCCn1c2nc3ccccn3c(=O)c2cc(C(=O)OCC)c1=NC(=O)/C=C/c1ccccc1	ZINC000009281999	1059671510	/nfs/dbraw/zinc/67/15/10/1059671510.db2.gz	FSMYNBBZGQLTOO-MKNUBSKDSA-N	0	0	500.555	3.393	50	0		KGAARN
COc1ccc([C@@H]2c3c(C)nn(-c4ccccc4)c3Oc3ncn(CCN4CCOCC4)c(=N)c32)cc1OC	ZINC000009282094	553233850	/nfs/dbraw/zinc/23/38/50/553233850.db2.gz	JLEMYWVHIFAHIW-RUZDIDTESA-N	0	0	528.613	3.492	50	0		KGAARN
COc1ccc([C@H]2c3c(C)nn(-c4ccccc4)c3Oc3ncn(CCN4CCOCC4)c(=N)c32)cc1OC	ZINC000009282095	553233835	/nfs/dbraw/zinc/23/38/35/553233835.db2.gz	JLEMYWVHIFAHIW-VWLOTQADSA-N	0	0	528.613	3.492	50	0		KGAARN
CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(CC(C)C)c1=NC(=O)c1ccc([N+](=O)[O-])cc1	ZINC000009282129	1059671814	/nfs/dbraw/zinc/67/18/14/1059671814.db2.gz	CMMQRZDNLDSXAH-UHFFFAOYSA-N	0	0	503.515	3.440	50	0		KGAARN
CCCc1nnc(NC(=O)CCC(=O)N2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)s1	ZINC000009288469	553234178	/nfs/dbraw/zinc/23/41/78/553234178.db2.gz	AQIRVOWJEOHESR-UHFFFAOYSA-N	0	0	520.464	3.049	50	0		KGAARN
CCCCCn1c2nc3ccccn3c(=O)c2cc(C(=O)OCC)c1=NC(=O)c1ccc2c(c1)OCO2	ZINC000009291602	1059671640	/nfs/dbraw/zinc/67/16/40/1059671640.db2.gz	BZLFTBUBENMZBW-UHFFFAOYSA-N	0	0	502.527	3.486	50	0		KGAARN
CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(C[C@H]2CCCO2)c1=NC(=O)c1cccc(OC)c1	ZINC000009291915	1059671736	/nfs/dbraw/zinc/67/17/36/1059671736.db2.gz	CFLHZTXPMUQPII-HXUWFJFHSA-N	0	0	516.554	3.063	50	0		KGAARN
CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(CCCOC(C)C)c1=NC(=O)c1ccncc1	ZINC000009303934	1059671760	/nfs/dbraw/zinc/67/17/60/1059671760.db2.gz	KQIHBQQRCAKPAS-UHFFFAOYSA-N	0	0	503.559	3.086	50	0		KGAARN
CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(C[C@H]2CCCO2)c1=NC(=O)c1ccccc1F	ZINC000009304361	1059671562	/nfs/dbraw/zinc/67/15/62/1059671562.db2.gz	XAIUVNKESKZIFT-QGZVFWFLSA-N	0	0	504.518	3.194	50	0		KGAARN
CCn1c(CNC(=O)c2ccc(OC)cc2)nnc1SCC(=O)Nc1ccc(Cl)c(C(=O)OC)c1	ZINC000009305141	553236817	/nfs/dbraw/zinc/23/68/17/553236817.db2.gz	LMYFTUCOBHBHTG-UHFFFAOYSA-N	0	0	517.995	3.407	50	0		KGAARN
CCOC(=O)c1ccc(NC(=O)CSc2nnc(CNC(=O)c3ccc(OC)c(OC)c3)n2CC)cc1	ZINC000009305269	553236830	/nfs/dbraw/zinc/23/68/30/553236830.db2.gz	IZSVEDCSFJLCHF-UHFFFAOYSA-N	0	0	527.603	3.153	50	0		KGAARN
NS(=O)(=O)c1ccc(NC(=O)CSc2nnc(-c3cccnc3)n2-c2ccc(Cl)cc2)cc1	ZINC000009307960	553237347	/nfs/dbraw/zinc/23/73/47/553237347.db2.gz	QHTRNJCBAYLXNS-UHFFFAOYSA-N	0	0	500.993	3.361	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(C)cc3)c(=O)n2[C@@H]1c1ccc(OC(C)=O)c(OCC)c1	ZINC000009310492	553238953	/nfs/dbraw/zinc/23/89/53/553238953.db2.gz	SYRNENNMJWMZLZ-AQIZGWBQSA-N	0	0	520.607	3.431	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(C)cc3)c(=O)n2[C@H]1c1ccc(OC(C)=O)c(OCC)c1	ZINC000009310493	553238925	/nfs/dbraw/zinc/23/89/25/553238925.db2.gz	SYRNENNMJWMZLZ-ZDGAQAAHSA-N	0	0	520.607	3.431	50	0		KGAARN
CCOc1ccc([C@H]2NC(=O)NC(CS(=O)(=O)c3ccc(Br)s3)=C2C(=O)OC)cc1	ZINC000009319423	553241529	/nfs/dbraw/zinc/24/15/29/553241529.db2.gz	FKYQPVZEXZNAJP-QGZVFWFLSA-N	0	0	515.407	3.164	50	0		KGAARN
CCOc1ccc([C@@H]2NC(=O)NC(CS(=O)(=O)c3ccc(Br)s3)=C2C(=O)OC)cc1	ZINC000009319425	553241577	/nfs/dbraw/zinc/24/15/77/553241577.db2.gz	FKYQPVZEXZNAJP-KRWDZBQOSA-N	0	0	515.407	3.164	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(C)cc3)c(=O)n2[C@@H]1c1ccc(OC(C)=O)c(OC)c1	ZINC000009327354	553241745	/nfs/dbraw/zinc/24/17/45/553241745.db2.gz	IGZLFAABYQISDN-LYRGBEMXSA-N	0	0	506.580	3.041	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(C)cc3)c(=O)n2[C@H]1c1ccc(OC(C)=O)c(OC)c1	ZINC000009327355	553241742	/nfs/dbraw/zinc/24/17/42/553241742.db2.gz	IGZLFAABYQISDN-JGTYQCAFSA-N	0	0	506.580	3.041	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3)c(=O)n2[C@@H]1c1ccc(OC(C)=O)c(OCC)c1	ZINC000009334141	553243118	/nfs/dbraw/zinc/24/31/18/553243118.db2.gz	QCMKIZDAQKVOEB-MGSPXPDISA-N	0	0	506.580	3.122	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3)c(=O)n2[C@H]1c1ccc(OC(C)=O)c(OCC)c1	ZINC000009334143	553243162	/nfs/dbraw/zinc/24/31/62/553243162.db2.gz	QCMKIZDAQKVOEB-XPCGLTFESA-N	0	0	506.580	3.122	50	0		KGAARN
Cc1ccc(-c2nnc(Nc3ccc(C(N)=O)cc3)c3ccccc32)cc1S(=O)(=O)N1CCOCC1	ZINC000009334500	553243304	/nfs/dbraw/zinc/24/33/04/553243304.db2.gz	ZXQDDCYJCANYSS-UHFFFAOYSA-N	0	0	503.584	3.469	50	0		KGAARN
CCOCCCn1c2nc3c(C)cccn3c(=O)c2cc(C(=O)OCC)c1=NC(=O)c1cccc(OC)c1	ZINC000009346108	1059671674	/nfs/dbraw/zinc/67/16/74/1059671674.db2.gz	BNKNDVNUBIGTAG-UHFFFAOYSA-N	0	0	518.570	3.311	50	0		KGAARN
CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(C(C)C)c1=NC(=O)c1ccc(OC)c(OC)c1	ZINC000009346313	1059671603	/nfs/dbraw/zinc/67/16/03/1059671603.db2.gz	HHSITUCNLTVCII-UHFFFAOYSA-N	0	0	504.543	3.474	50	0		KGAARN
CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3cccc(S(C)(=O)=O)c3)o2)cc1	ZINC000009346727	553244349	/nfs/dbraw/zinc/24/43/49/553244349.db2.gz	ADGVRTZETMQRHV-UHFFFAOYSA-N	0	0	512.569	3.218	50	0		KGAARN
COc1cc(C(=O)OCCN2C(=O)c3cccc4c(N5CCOCC5)ccc(c43)C2=O)cc(OC)c1OC	ZINC000009354627	553246212	/nfs/dbraw/zinc/24/62/12/553246212.db2.gz	HENWTSIUEFNSQO-UHFFFAOYSA-N	0	0	520.538	3.155	50	0		KGAARN
COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)Nc2nc(-c3ccc(OC)cc3)cs2)cc1	ZINC000009354684	553246184	/nfs/dbraw/zinc/24/61/84/553246184.db2.gz	KGGMGTKBSWXTDA-UHFFFAOYSA-N	0	0	505.618	3.355	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Br)o3)c(=O)n2[C@@H]1c1ccccc1OC	ZINC000009354876	553246195	/nfs/dbraw/zinc/24/61/95/553246195.db2.gz	UJUQLCUDMBAJMT-KZIRBZLESA-N	0	0	503.374	3.162	50	0		KGAARN
Cc1cccn2c(=O)c3c(nc12)N1CCc2ccccc2[C@@H]1[C@]1(C3)C(=O)NC(=O)N(C2CCCCC2)C1=O	ZINC000009356675	553246597	/nfs/dbraw/zinc/24/65/97/553246597.db2.gz	QDKIITKWRHUGJP-KPURRNSFSA-N	0	0	511.582	3.060	50	0		KGAARN
Cc1cccn2c(=O)c3c(nc12)N1CCc2ccccc2[C@H]1[C@]1(C3)C(=O)NC(=O)N(C2CCCCC2)C1=O	ZINC000009356676	553246602	/nfs/dbraw/zinc/24/66/02/553246602.db2.gz	QDKIITKWRHUGJP-PZGXJGMVSA-N	0	0	511.582	3.060	50	0		KGAARN
Cc1cccn2c(=O)c3c(nc12)N1CCc2ccccc2[C@H]1[C@@]1(C3)C(=O)NC(=O)N(C2CCCCC2)C1=O	ZINC000009356677	553246529	/nfs/dbraw/zinc/24/65/29/553246529.db2.gz	QDKIITKWRHUGJP-ZTOMLWHTSA-N	0	0	511.582	3.060	50	0		KGAARN
COc1cc(C(=O)N[C@@]2(C(F)(F)F)NC(=O)N(c3ccc(F)c(Cl)c3)C2=O)cc(OC)c1OC	ZINC000009357461	553246952	/nfs/dbraw/zinc/24/69/52/553246952.db2.gz	XUDXCZIASGBRDN-LJQANCHMSA-N	0	0	505.808	3.250	50	0		KGAARN
COc1cc(C(=O)N[C@]2(C(F)(F)F)NC(=O)N(c3ccc(F)c(Cl)c3)C2=O)cc(OC)c1OC	ZINC000009357467	553246925	/nfs/dbraw/zinc/24/69/25/553246925.db2.gz	XUDXCZIASGBRDN-IBGZPJMESA-N	0	0	505.808	3.250	50	0		KGAARN
O=C(CCCCCN1C(=O)c2ccccc2C1=O)N1CCOCCOc2ccccc2OCCOCC1	ZINC000009358611	553247632	/nfs/dbraw/zinc/24/76/32/553247632.db2.gz	POKKPJVTSVUTAG-UHFFFAOYSA-N	0	0	510.587	3.176	50	0		KGAARN
CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(CC(C)C)c1=NC(=O)c1cccc([N+](=O)[O-])c1	ZINC000009360153	1059671786	/nfs/dbraw/zinc/67/17/86/1059671786.db2.gz	WVEVVYYADWNHMM-UHFFFAOYSA-N	0	0	503.515	3.440	50	0		KGAARN
Cc1cccc(NC(=O)CSc2nnc(NC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)s2)c1C	ZINC000009364912	553249000	/nfs/dbraw/zinc/24/90/00/553249000.db2.gz	PIZJYMWCLVLPTK-UHFFFAOYSA-N	0	0	505.647	3.388	50	0		KGAARN
O=C(CSc1nnc(NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)s1)Nc1ccccc1	ZINC000009364943	553249021	/nfs/dbraw/zinc/24/90/21/553249021.db2.gz	QTWAVNBREPXKRE-UHFFFAOYSA-N	0	0	503.631	3.306	50	0		KGAARN
Cc1ccc(C)c(NC(=O)CSc2nnc(NC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)s2)c1	ZINC000009365110	553249017	/nfs/dbraw/zinc/24/90/17/553249017.db2.gz	KYTMSNYFIUWNRI-UHFFFAOYSA-N	0	0	505.647	3.388	50	0		KGAARN
Cc1ccc(NC(=O)CSc2nnc(NC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)s2)c(C)c1	ZINC000009365288	553249041	/nfs/dbraw/zinc/24/90/41/553249041.db2.gz	TUQZQVIXXLBZCU-UHFFFAOYSA-N	0	0	505.647	3.388	50	0		KGAARN
Cc1cc(C)cc(NC(=O)CSc2nnc(NC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)s2)c1	ZINC000009365497	553249066	/nfs/dbraw/zinc/24/90/66/553249066.db2.gz	CDXJZVDSTNIJMT-UHFFFAOYSA-N	0	0	505.647	3.388	50	0		KGAARN
CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2nnc(SCC(=O)Nc3nccs3)s2)cc1	ZINC000009366193	553249213	/nfs/dbraw/zinc/24/92/13/553249213.db2.gz	WRDWWAPZNHRPBW-UHFFFAOYSA-N	0	0	512.664	3.008	50	0		KGAARN
CN(C)S(=O)(=O)c1ccc(C(=O)Nc2nnc(SCC(=O)N3CCCc4ccccc43)s2)cc1	ZINC000009366460	553249244	/nfs/dbraw/zinc/24/92/44/553249244.db2.gz	SOMIVZZTPFHGJQ-UHFFFAOYSA-N	0	0	517.658	3.112	50	0		KGAARN
O=C(Nc1cccc(NC(=O)c2ccc(N3C(=O)CCC3=O)cc2)c1)c1ccc(N2C(=O)CCC2=O)cc1	ZINC000009368846	553249598	/nfs/dbraw/zinc/24/95/98/553249598.db2.gz	WOWNLQLOAJUZRW-UHFFFAOYSA-N	0	0	510.506	3.498	50	0		KGAARN
COc1cc(OC)cc(C(=O)NCc2nnc(SCC(=O)Nc3nccs3)n2-c2ccccc2)c1	ZINC000009369039	553249756	/nfs/dbraw/zinc/24/97/56/553249756.db2.gz	ILQZXHXELYDJQU-UHFFFAOYSA-N	0	0	510.601	3.402	50	0		KGAARN
COc1ccc(C(=O)NCc2nnc(SCC(=O)Nc3nccs3)n2-c2ccccc2)cc1OC	ZINC000009369040	553249795	/nfs/dbraw/zinc/24/97/95/553249795.db2.gz	QINYSAZGXHCWPI-UHFFFAOYSA-N	0	0	510.601	3.402	50	0		KGAARN
COc1ccc(CC(=O)NCc2nnc(SCC(=O)Nc3nnc(C)s3)n2-c2ccccc2)cc1	ZINC000009369071	553249918	/nfs/dbraw/zinc/24/99/18/553249918.db2.gz	XQMGVXVRANRRHY-UHFFFAOYSA-N	0	0	509.617	3.026	50	0		KGAARN
CCSc1nnc(NC(=O)CSc2nnc(CNC(=O)c3ccco3)n2-c2ccccc2)s1	ZINC000009369074	553249939	/nfs/dbraw/zinc/24/99/39/553249939.db2.gz	YMWDBIXCXXZGBF-UHFFFAOYSA-N	0	0	501.619	3.485	50	0		KGAARN
COc1cccc(OC)c1-n1c(CNC(=O)c2ccco2)nnc1SCC(=O)N1CCc2ccccc21	ZINC000009369083	553249904	/nfs/dbraw/zinc/24/99/04/553249904.db2.gz	MDUHQXWSKNSZNN-UHFFFAOYSA-N	0	0	519.583	3.489	50	0		KGAARN
O=C(c1ccc(S(=O)(=O)N2CCOCC2)cc1)N1CCN=C1SCc1ccc(C(F)(F)F)cc1	ZINC000009381094	553252500	/nfs/dbraw/zinc/25/25/00/553252500.db2.gz	RWHKSSCAENCHBO-UHFFFAOYSA-N	0	0	513.563	3.472	50	0		KGAARN
O=C(CSc1nnc(Cc2cc(=O)[nH]c(=O)[nH]2)n1-c1ccccc1)Nc1ccc(Cl)c(Cl)c1	ZINC000009381996	553252987	/nfs/dbraw/zinc/25/29/87/553252987.db2.gz	AOYVFUXUDXGGQQ-UHFFFAOYSA-N	0	0	503.371	3.272	50	0		KGAARN
Cc1cccc(-n2c(Cc3cc(=O)[nH]c(=O)[nH]3)nnc2SCC(=O)Nc2cccc(C(F)(F)F)c2)c1	ZINC000009382003	553252949	/nfs/dbraw/zinc/25/29/49/553252949.db2.gz	XKQCBFLJXMURPH-UHFFFAOYSA-N	0	0	516.505	3.293	50	0		KGAARN
Cc1ccc(NC(=O)CSc2nnc(Cc3cc(=O)[nH]c(=O)[nH]3)n2-c2ccc(F)cc2)cc1Cl	ZINC000009382033	553252918	/nfs/dbraw/zinc/25/29/18/553252918.db2.gz	KNFJHPZRLPVCGN-UHFFFAOYSA-N	0	0	500.943	3.066	50	0		KGAARN
CCCc1nc(SCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)c2c(=O)n(C)c(=O)n(C)c2n1	ZINC000009382346	553253131	/nfs/dbraw/zinc/25/31/31/553253131.db2.gz	WZKAVVPQXJQFML-UHFFFAOYSA-N	0	0	501.918	3.383	50	0		KGAARN
CCOC(=O)N1CCN(C(=O)CSc2nnc(Cc3cccn3C)n2-c2ccc(Cl)cc2)CC1	ZINC000009382799	553253291	/nfs/dbraw/zinc/25/32/91/553253291.db2.gz	WAGCJZONFINTLN-UHFFFAOYSA-N	0	0	503.028	3.243	50	0		KGAARN
COc1ccc(C(=O)NCc2nnc(SCC(=O)Nc3nnc(C)s3)n2Cc2ccccc2)cc1	ZINC000009390775	553253509	/nfs/dbraw/zinc/25/35/09/553253509.db2.gz	CFTRAPIXCXOYLI-UHFFFAOYSA-N	0	0	509.617	3.156	50	0		KGAARN
COc1ccc(C(=O)NCc2nnc(SCC(=O)Nc3nnc(C)s3)n2CCc2ccccc2)cc1	ZINC000009390786	553253469	/nfs/dbraw/zinc/25/34/69/553253469.db2.gz	KPIPYPMQOIBDQX-UHFFFAOYSA-N	0	0	523.644	3.350	50	0		KGAARN
CCCCn1c(CNC(=O)c2ccc(OC)cc2)nnc1SCC(=O)N1CCN(c2ccccc2)CC1	ZINC000009390808	553253501	/nfs/dbraw/zinc/25/35/01/553253501.db2.gz	OMWAQKWBOKNFON-UHFFFAOYSA-N	0	0	522.675	3.458	50	0		KGAARN
O=C(/C=C\c1ccc2c(c1)OCO2)Nc1nnc(SCC(=O)N2CCN(c3ccccc3)CC2)s1	ZINC000009391038	553253799	/nfs/dbraw/zinc/25/37/99/553253799.db2.gz	ZHGSQQFKMIHQLW-CLFYSBASSA-N	0	0	509.613	3.360	50	0		KGAARN
CCSc1nnc(NC(=O)CSc2nnc(NC(=O)Cc3ccc(OC)c(OC)c3)s2)s1	ZINC000009391094	553253789	/nfs/dbraw/zinc/25/37/89/553253789.db2.gz	CQORSUYTLUKWGH-UHFFFAOYSA-N	0	0	512.664	3.431	50	0		KGAARN
CCOC(=O)N1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N(CC)CC)cc3)c2C(=O)OC)C1	ZINC000009391481	553254096	/nfs/dbraw/zinc/25/40/96/553254096.db2.gz	CQYFMBAIXGJPOK-UHFFFAOYSA-N	0	0	523.633	3.332	50	0		KGAARN
CCOC(=O)N1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)c2C(=O)OC)C1	ZINC000009391482	553254065	/nfs/dbraw/zinc/25/40/65/553254065.db2.gz	YHCABNCWBDTMOA-UHFFFAOYSA-N	0	0	521.617	3.086	50	0		KGAARN
O=C(/C=C\c1ccc2c(c1)OCO2)Nc1ccc(S(=O)(=O)N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc1	ZINC000009391658	553254379	/nfs/dbraw/zinc/25/43/79/553254379.db2.gz	BDQOQXPZNXFUQI-HOJOAOLQSA-N	0	0	519.579	3.037	50	0		KGAARN
Cn1c2nc(N3CCN(c4ccccc4)CC3)n(CCSc3nc4ccccc4s3)c2c(=O)[nH]c1=O	ZINC000009392038	553254879	/nfs/dbraw/zinc/25/48/79/553254879.db2.gz	UKFXTQQLTWKQFP-UHFFFAOYSA-N	0	0	519.656	3.152	50	0		KGAARN
COc1ccccc1-n1c(CNC(=O)c2cccc(F)c2)nnc1SCC(=O)Nc1nnc(C)s1	ZINC000009404193	553255595	/nfs/dbraw/zinc/25/55/95/553255595.db2.gz	DQVXNTXBQHMMGD-UHFFFAOYSA-N	0	0	513.580	3.236	50	0		KGAARN
Cc1nnc(NC(=O)CSc2nnc(CNC(=O)COc3ccccc3)n2-c2cccc(C)c2)s1	ZINC000009404212	553255565	/nfs/dbraw/zinc/25/55/65/553255565.db2.gz	XCCWLVUVMOQMDB-UHFFFAOYSA-N	0	0	509.617	3.162	50	0		KGAARN
COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)Nc2c3ccccc3sc2C(=O)OC)cc1	ZINC000009404689	553255864	/nfs/dbraw/zinc/25/58/64/553255864.db2.gz	BXSJFSDLLKTPKD-UHFFFAOYSA-N	0	0	506.602	3.224	50	0		KGAARN
CCOC(=O)c1c(C)c(C)sc1NC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)OCC)CC2)cc1	ZINC000009404832	553256020	/nfs/dbraw/zinc/25/60/20/553256020.db2.gz	YPHIQTMRMKBRNZ-UHFFFAOYSA-N	0	0	523.633	3.257	50	0		KGAARN
CCOC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)Nc3nc(-c4ccc(C)o4)cs3)cc2)CC1	ZINC000009404835	553255993	/nfs/dbraw/zinc/25/59/93/553255993.db2.gz	KSKKRYAXODIQGR-UHFFFAOYSA-N	0	0	504.590	3.427	50	0		KGAARN
CC(C)(C)c1ccc(S(=O)(=O)NCc2nc(N)n(S(=O)(=O)c3ccc(C(C)(C)C)cc3)n2)cc1	ZINC000009407354	553256930	/nfs/dbraw/zinc/25/69/30/553256930.db2.gz	LBFIKJYLVJFYAO-UHFFFAOYSA-N	0	0	505.666	3.171	50	0		KGAARN
COc1ccc(OC)c(CNC(=O)CCc2c(C)nc3nc(CNC(=O)c4cccc(F)c4)nn3c2C)c1	ZINC000009407393	553257004	/nfs/dbraw/zinc/25/70/04/553257004.db2.gz	GSBKBPRGYMEBKK-UHFFFAOYSA-N	0	0	520.565	3.076	50	0		KGAARN
CC(=O)c1cc2c(cc1NC(=O)CCc1c(C)nc3nc(CNC(=O)OC(C)(C)C)nn3c1C)OCO2	ZINC000009407413	553257026	/nfs/dbraw/zinc/25/70/26/553257026.db2.gz	SOYDCXHILQTNIQ-UHFFFAOYSA-N	0	0	510.551	3.268	50	0		KGAARN
Cc1csc(NC(=O)CCc2c(C)nc3nc(CNC(=O)c4ccc(Br)o4)nn3c2C)n1	ZINC000009407439	553256982	/nfs/dbraw/zinc/25/69/82/553256982.db2.gz	CEMLBINALPGNBR-UHFFFAOYSA-N	0	0	518.397	3.363	50	0		KGAARN
COc1ccc(CCNC(=O)CCc2c(C)nc3nc(CNC(=O)OC(C)(C)C)nn3c2C)cc1OC	ZINC000009407447	553257022	/nfs/dbraw/zinc/25/70/22/553257022.db2.gz	ATYHEGBCVNJZGX-UHFFFAOYSA-N	0	0	512.611	3.075	50	0		KGAARN
Cc1ccccc1OCCn1c(SCC(=O)N2CCN(c3ccccc3)CC2)nc2c1ncnc2N	ZINC000009409407	553257202	/nfs/dbraw/zinc/25/72/02/553257202.db2.gz	SBMPZARNGCLORA-UHFFFAOYSA-N	0	0	503.632	3.237	50	0		KGAARN
CC1(C)S[C@H]2c3ccccc3C(=O)N2[C@@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1ccncc1	ZINC000009409810	553257181	/nfs/dbraw/zinc/25/71/81/553257181.db2.gz	BXKKHYLPBISUNW-OBTVHEKISA-N	0	0	500.624	3.474	50	0		KGAARN
CC1(C)S[C@@H]2c3ccccc3C(=O)N2[C@@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1ccncc1	ZINC000009409811	553257207	/nfs/dbraw/zinc/25/72/07/553257207.db2.gz	BXKKHYLPBISUNW-QHWMMSMNSA-N	0	0	500.624	3.474	50	0		KGAARN
Cn1c(=O)c2c(SCC(=O)Nc3nc4ccccc4s3)nc(-c3ccc(F)cc3)nc2n(C)c1=O	ZINC000009411378	553257532	/nfs/dbraw/zinc/25/75/32/553257532.db2.gz	DHPZWTQVACQAPW-UHFFFAOYSA-N	0	0	508.560	3.174	50	0		KGAARN
Cn1c(=O)c2c(SCC(=O)N3CCC(Cc4ccccc4)CC3)nc(-c3cccs3)nc2n(C)c1=O	ZINC000009411479	553257622	/nfs/dbraw/zinc/25/76/22/553257622.db2.gz	CLQYXGSMKFPKJK-UHFFFAOYSA-N	0	0	521.668	3.329	50	0		KGAARN
COc1cc(-c2nnc(NC(=O)c3ccc(S(=O)(=O)N4CCC[C@@H](C)C4)cc3)o2)cc(OC)c1OC	ZINC000009412946	553257879	/nfs/dbraw/zinc/25/78/79/553257879.db2.gz	LVJAVYZYCTVBBC-OAHLLOKOSA-N	0	0	516.576	3.435	50	0		KGAARN
COc1cc(-c2nnc(NC(=O)c3ccc(S(=O)(=O)N4CCC[C@H](C)C4)cc3)o2)cc(OC)c1OC	ZINC000009412949	553257867	/nfs/dbraw/zinc/25/78/67/553257867.db2.gz	LVJAVYZYCTVBBC-HNNXBMFYSA-N	0	0	516.576	3.435	50	0		KGAARN
COc1cc(-c2nnc(NC(=O)c3ccc(S(=O)(=O)N4CCC(C)CC4)cc3)o2)cc(OC)c1OC	ZINC000009412954	553257887	/nfs/dbraw/zinc/25/78/87/553257887.db2.gz	JDCLHEKQLCXDRX-UHFFFAOYSA-N	0	0	516.576	3.435	50	0		KGAARN
CNC(=O)c1c2c(sc1NC(=O)c1ccc(S(=O)(=O)N3C[C@H](C)C[C@H](C)C3)cc1)CN(C)CC2	ZINC000009414056	553258045	/nfs/dbraw/zinc/25/80/45/553258045.db2.gz	FYJDTLQRZWHORC-IYBDPMFKSA-N	0	0	504.678	3.015	50	0		KGAARN
CNC(=O)c1c2c(sc1NC(=O)c1ccc(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)cc1)CN(C)CC2	ZINC000009414061	553258088	/nfs/dbraw/zinc/25/80/88/553258088.db2.gz	FYJDTLQRZWHORC-HZPDHXFCSA-N	0	0	504.678	3.015	50	0		KGAARN
CC[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C(=O)NC)CCN(C)C3)cc1	ZINC000009414071	553258138	/nfs/dbraw/zinc/25/81/38/553258138.db2.gz	TYLRBSPBMYNQJU-QGZVFWFLSA-N	0	0	504.678	3.301	50	0		KGAARN
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C(C)C)c1=NC(=O)c1cc(OC)c(OC)c(OC)c1	ZINC000009414149	1059671698	/nfs/dbraw/zinc/67/16/98/1059671698.db2.gz	LINCGBZWUOXZRC-UHFFFAOYSA-N	0	0	520.542	3.174	50	0		KGAARN
CCOC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)Nc3nc4c(cc(F)cc4F)s3)cc2)CC1	ZINC000009416967	553258236	/nfs/dbraw/zinc/25/82/36/553258236.db2.gz	UHBMGEVQBVVSFE-UHFFFAOYSA-N	0	0	510.544	3.290	50	0		KGAARN
COc1ccc(S(=O)(=O)N(c2c(C)cnn2-c2ccccn2)S(=O)(=O)c2ccc(OC)cc2)cc1	ZINC000009422038	553258222	/nfs/dbraw/zinc/25/82/22/553258222.db2.gz	FLBZWNQASFNAPQ-UHFFFAOYSA-N	0	0	514.585	3.177	50	0		KGAARN
CCOC(=O)[C@H]1[C@H](c2ccc(OC)cc2)C2(C(=O)OC3(CCCC3)OC2=O)[C@@H]2c3ccccc3C=NN12	ZINC000009424155	553258479	/nfs/dbraw/zinc/25/84/79/553258479.db2.gz	ACCXFIARLJRVLD-ZRBLBEILSA-N	0	0	504.539	3.472	50	0		KGAARN
CCOC(=O)[C@H]1[C@H](c2ccc(OC)cc2)C2(C(=O)OC3(CCCC3)OC2=O)[C@H]2c3ccccc3C=NN12	ZINC000009424156	553258530	/nfs/dbraw/zinc/25/85/30/553258530.db2.gz	ACCXFIARLJRVLD-YTFSRNRJSA-N	0	0	504.539	3.472	50	0		KGAARN
COc1ccc(NC(=O)[C@@H](NC(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)C(C)C)cc1OC	ZINC000009424207	553258508	/nfs/dbraw/zinc/25/85/08/553258508.db2.gz	PUBFPKMFKOUQSG-DEOSSOPVSA-N	0	0	517.648	3.192	50	0		KGAARN
CSCC[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1)C(=O)Nc1ccc(F)cc1	ZINC000009424210	553258524	/nfs/dbraw/zinc/25/85/24/553258524.db2.gz	OWXKARNNFXLIHD-QFIPXVFZSA-N	0	0	507.653	3.411	50	0		KGAARN
O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2)N1CCN(c2ccccc2)CC1	ZINC000009424544	553258696	/nfs/dbraw/zinc/25/86/96/553258696.db2.gz	FIKUBVYTZQFELM-UHFFFAOYSA-N	0	0	511.575	3.141	50	0		KGAARN
COc1ccc(NC(=O)[C@@H](NC(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)C(C)C)c(OC)c1	ZINC000009424576	553258683	/nfs/dbraw/zinc/25/86/83/553258683.db2.gz	SIICPLPRFILUHN-DEOSSOPVSA-N	0	0	517.648	3.192	50	0		KGAARN
O=C(CSc1nc(N2CCOCC2)nc(N2CCOCC2)n1)Nc1ccc(Oc2ccccc2)cc1	ZINC000009427181	553259645	/nfs/dbraw/zinc/25/96/45/553259645.db2.gz	XNFWOPDXZZBPKG-UHFFFAOYSA-N	0	0	508.604	3.068	50	0		KGAARN
O=C(CCc1nnc2ccc(N3CCCCC3)nn21)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1	ZINC000009431119	553260943	/nfs/dbraw/zinc/26/09/43/553260943.db2.gz	UWEBWCSSPQBMMF-UHFFFAOYSA-N	0	0	511.652	3.251	50	0		KGAARN
C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)/N=c3\sc4cc(S(C)(=O)=O)ccc4n3C)cc2)C1	ZINC000009444906	553265002	/nfs/dbraw/zinc/26/50/02/553265002.db2.gz	FUJOYDXQXXVYNI-JZLCZTKTSA-N	0	0	521.686	3.051	50	0		KGAARN
C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)/N=c3\sc4cc(S(C)(=O)=O)ccc4n3C)cc2)C1	ZINC000009444908	553265076	/nfs/dbraw/zinc/26/50/76/553265076.db2.gz	FUJOYDXQXXVYNI-ORFOSUJFSA-N	0	0	521.686	3.051	50	0		KGAARN
CN(Cc1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2nc3ccc(S(N)(=O)=O)cc3s2)cc1	ZINC000009445182	553265005	/nfs/dbraw/zinc/26/50/05/553265005.db2.gz	GHXIAMYFLQPAFA-UHFFFAOYSA-N	0	0	516.626	3.017	50	0		KGAARN
CN(C1CCCCC1)S(=O)(=O)c1ccc(C(=O)Nc2nc3ccc(S(N)(=O)=O)cc3s2)cc1	ZINC000009445189	553265059	/nfs/dbraw/zinc/26/50/59/553265059.db2.gz	WQFRKORBQVVBJE-UHFFFAOYSA-N	0	0	508.647	3.149	50	0		KGAARN
CSCC[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1)C(=O)NCc1ccc(F)cc1	ZINC000009448013	553265705	/nfs/dbraw/zinc/26/57/05/553265705.db2.gz	YZUVDTYDXDQWEM-QHCPKHFHSA-N	0	0	521.680	3.089	50	0		KGAARN
CCOC(=O)c1cccc(NC(=O)[C@@H]2CCCN2C(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)c1	ZINC000009459411	553266671	/nfs/dbraw/zinc/26/66/71/553266671.db2.gz	CAUZPVCLPDGQBS-DEOSSOPVSA-N	0	0	527.643	3.202	50	0		KGAARN
COc1cc(OC)c(NC(=O)[C@H](C)NC(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1Cl	ZINC000009459806	553266885	/nfs/dbraw/zinc/26/68/85/553266885.db2.gz	RAMCGARIHPCXDH-INIZCTEOSA-N	0	0	524.039	3.210	50	0		KGAARN
CCOC(=O)c1ccc(-c2ccc(/C=c3\sc4nc(=O)c(Cc5ccc(OC)cc5)nn4c3=O)o2)cc1	ZINC000009462158	553268154	/nfs/dbraw/zinc/26/81/54/553268154.db2.gz	RHTHHRDHDMWNHK-HAHDFKILSA-N	0	0	515.547	3.095	50	0		KGAARN
COC(=O)c1ccc2c(c1)nc(SCC(=O)Nc1ccc(OC)cc1OC)n(C[C@@H]1CCCO1)c2=O	ZINC000009472679	553270395	/nfs/dbraw/zinc/27/03/95/553270395.db2.gz	OKROVFJXRLOXJY-KRWDZBQOSA-N	0	0	513.572	3.110	50	0		KGAARN
COC(=O)c1ccc2c(c1)nc(SCC(=O)Nc1ccc(OC)cc1OC)n(C[C@H]1CCCO1)c2=O	ZINC000009472682	553270406	/nfs/dbraw/zinc/27/04/06/553270406.db2.gz	OKROVFJXRLOXJY-QGZVFWFLSA-N	0	0	513.572	3.110	50	0		KGAARN
CCOC(=O)c1ccc(NC(=O)CSc2nc3cc(C(=O)OC)ccc3c(=O)n2C[C@@H]2CCCO2)cc1	ZINC000009472688	553270389	/nfs/dbraw/zinc/27/03/89/553270389.db2.gz	PYWDUBUZJHFRAB-IBGZPJMESA-N	0	0	525.583	3.270	50	0		KGAARN
CCOC(=O)c1ccc(NC(=O)CSc2nc3cc(C(=O)OC)ccc3c(=O)n2C[C@H]2CCCO2)cc1	ZINC000009472690	553270356	/nfs/dbraw/zinc/27/03/56/553270356.db2.gz	PYWDUBUZJHFRAB-LJQANCHMSA-N	0	0	525.583	3.270	50	0		KGAARN
CC[C@H](Sc1nc2ccc(N3CCOCC3)cc2c(=O)n1Cc1ccccc1)C(=O)N1CCOCC1	ZINC000009472782	553270347	/nfs/dbraw/zinc/27/03/47/553270347.db2.gz	TXPLAYWJKZTWOT-DEOSSOPVSA-N	0	0	508.644	3.011	50	0		KGAARN
CC[C@@H](Sc1nc2ccc(N3CCOCC3)cc2c(=O)n1Cc1ccccc1)C(=O)N1CCOCC1	ZINC000009472784	553270359	/nfs/dbraw/zinc/27/03/59/553270359.db2.gz	TXPLAYWJKZTWOT-XMMPIXPASA-N	0	0	508.644	3.011	50	0		KGAARN
Cc1cc(NC(=O)CSc2nc3ccccc3c(=O)n2CCCC(=O)NCCc2ccccc2)n[nH]1	ZINC000009472934	553270343	/nfs/dbraw/zinc/27/03/43/553270343.db2.gz	PWTFFAPUBSIQNU-UHFFFAOYSA-N	0	0	504.616	3.298	50	0		KGAARN
COc1cccc(NC(=O)CSc2nc3ccccc3c(=O)n2CCCC(=O)NC[C@@H]2CCCO2)c1	ZINC000009473032	553270482	/nfs/dbraw/zinc/27/04/82/553270482.db2.gz	MSRFKZSJQYTUQG-FQEVSTJZSA-N	0	0	510.616	3.211	50	0		KGAARN
COc1cccc(NC(=O)CSc2nc3ccccc3c(=O)n2CCCC(=O)NC[C@H]2CCCO2)c1	ZINC000009473035	553270506	/nfs/dbraw/zinc/27/05/06/553270506.db2.gz	MSRFKZSJQYTUQG-HXUWFJFHSA-N	0	0	510.616	3.211	50	0		KGAARN
CCOC(=O)[C@@H]1CCCN(C(=O)CSc2nc3ccccc3c(=O)n2C[C@@H]2COc3ccccc3O2)C1	ZINC000009473099	553270467	/nfs/dbraw/zinc/27/04/67/553270467.db2.gz	LOZGDMZDYAOGCA-RTBURBONSA-N	0	0	523.611	3.130	50	0		KGAARN
CCOC(=O)[C@H]1CCCN(C(=O)CSc2nc3ccccc3c(=O)n2C[C@@H]2COc3ccccc3O2)C1	ZINC000009473101	553270465	/nfs/dbraw/zinc/27/04/65/553270465.db2.gz	LOZGDMZDYAOGCA-RBUKOAKNSA-N	0	0	523.611	3.130	50	0		KGAARN
CCOC(=O)[C@@H]1CCCN(C(=O)CSc2nc3ccccc3c(=O)n2C[C@H]2COc3ccccc3O2)C1	ZINC000009473103	553270457	/nfs/dbraw/zinc/27/04/57/553270457.db2.gz	LOZGDMZDYAOGCA-MOPGFXCFSA-N	0	0	523.611	3.130	50	0		KGAARN
CCOC(=O)[C@H]1CCCN(C(=O)CSc2nc3ccccc3c(=O)n2C[C@H]2COc3ccccc3O2)C1	ZINC000009473105	553270475	/nfs/dbraw/zinc/27/04/75/553270475.db2.gz	LOZGDMZDYAOGCA-OALUTQOASA-N	0	0	523.611	3.130	50	0		KGAARN
Cc1ccc(CNC(=O)CSc2nc3ccccc3c(=O)n2CCCC(=O)NC[C@@H]2CCCO2)cc1	ZINC000009473148	553270491	/nfs/dbraw/zinc/27/04/91/553270491.db2.gz	KCCWBNXZYUWSKG-NRFANRHFSA-N	0	0	508.644	3.189	50	0		KGAARN
Cc1ccc(CNC(=O)CSc2nc3ccccc3c(=O)n2CCCC(=O)NC[C@H]2CCCO2)cc1	ZINC000009473151	553270766	/nfs/dbraw/zinc/27/07/66/553270766.db2.gz	KCCWBNXZYUWSKG-OAQYLSRUSA-N	0	0	508.644	3.189	50	0		KGAARN
O=C(CSc1nc2cc(C(=O)NC[C@@H]3CCCO3)ccc2c(=O)n1Cc1ccco1)NC1CCCCC1	ZINC000009473269	553270756	/nfs/dbraw/zinc/27/07/56/553270756.db2.gz	RLZIEXDACHUNOX-FQEVSTJZSA-N	0	0	524.643	3.488	50	0		KGAARN
O=C(CSc1nc2cc(C(=O)NC[C@H]3CCCO3)ccc2c(=O)n1Cc1ccco1)NC1CCCCC1	ZINC000009473271	553270727	/nfs/dbraw/zinc/27/07/27/553270727.db2.gz	RLZIEXDACHUNOX-HXUWFJFHSA-N	0	0	524.643	3.488	50	0		KGAARN
O=C(CSc1nc2cc(C(=O)NC[C@@H]3CCCO3)ccc2c(=O)n1C[C@@H]1CCCO1)c1ccccc1	ZINC000009473331	553270854	/nfs/dbraw/zinc/27/08/54/553270854.db2.gz	NICKHPIYESISFU-SFTDATJTSA-N	0	0	507.612	3.459	50	0		KGAARN
O=C(CSc1nc2cc(C(=O)NC[C@@H]3CCCO3)ccc2c(=O)n1C[C@H]1CCCO1)c1ccccc1	ZINC000009473334	553270872	/nfs/dbraw/zinc/27/08/72/553270872.db2.gz	NICKHPIYESISFU-LEWJYISDSA-N	0	0	507.612	3.459	50	0		KGAARN
O=C(CSc1nc2cc(C(=O)NC[C@H]3CCCO3)ccc2c(=O)n1C[C@@H]1CCCO1)c1ccccc1	ZINC000009473337	553270836	/nfs/dbraw/zinc/27/08/36/553270836.db2.gz	NICKHPIYESISFU-RTWAWAEBSA-N	0	0	507.612	3.459	50	0		KGAARN
O=C(CSc1nc2cc(C(=O)NC[C@H]3CCCO3)ccc2c(=O)n1C[C@H]1CCCO1)c1ccccc1	ZINC000009473340	553270829	/nfs/dbraw/zinc/27/08/29/553270829.db2.gz	NICKHPIYESISFU-NHCUHLMSSA-N	0	0	507.612	3.459	50	0		KGAARN
O=C(CSc1nc2cc3c(cc2c(=O)n1Cc1ccco1)OCO3)N1CCN(c2ccccc2)CC1	ZINC000009473495	553271058	/nfs/dbraw/zinc/27/10/58/553271058.db2.gz	BQXSSDQCOYRASS-UHFFFAOYSA-N	0	0	504.568	3.207	50	0		KGAARN
COc1ccc(Cn2c(=O)c3cc(N4CCOCC4)ccc3nc2SCC(=O)Nc2cc(C)[nH]n2)cc1	ZINC000009473660	553271065	/nfs/dbraw/zinc/27/10/65/553271065.db2.gz	LABMLEZBSLXEMP-UHFFFAOYSA-N	0	0	520.615	3.052	50	0		KGAARN
Cc1cc(NC(=O)CSc2nc3ccc(N4CCOCC4)cc3c(=O)n2CCc2ccccc2)n[nH]1	ZINC000009473699	553271248	/nfs/dbraw/zinc/27/12/48/553271248.db2.gz	MNVOWKPNOGHXQZ-UHFFFAOYSA-N	0	0	504.616	3.238	50	0		KGAARN
CC[C@H](Sc1nc2ccc(N3CCOCC3)cc2c(=O)n1CCc1ccccc1)C(=O)NCCCOC	ZINC000009473722	553271222	/nfs/dbraw/zinc/27/12/22/553271222.db2.gz	ZBRJKNIILQWFCP-VWLOTQADSA-N	0	0	524.687	3.499	50	0		KGAARN
CC[C@@H](Sc1nc2ccc(N3CCOCC3)cc2c(=O)n1CCc1ccccc1)C(=O)NCCCOC	ZINC000009473724	553271210	/nfs/dbraw/zinc/27/12/10/553271210.db2.gz	ZBRJKNIILQWFCP-RUZDIDTESA-N	0	0	524.687	3.499	50	0		KGAARN
CCOC(=O)CSc1nc2ccc(N3CCOCC3)cc2c(=O)n1CCc1ccc(OC)c(OC)c1	ZINC000009473730	553271251	/nfs/dbraw/zinc/27/12/51/553271251.db2.gz	RGIDDJGMBCGFRG-UHFFFAOYSA-N	0	0	513.616	3.148	50	0		KGAARN
CCN(CC)C(=O)CSc1nc2ccccc2c(=O)n1Cc1ccc(C(=O)NC[C@@H]2CCCO2)cc1	ZINC000009473785	553271224	/nfs/dbraw/zinc/27/12/24/553271224.db2.gz	OMCKKUWIKNVSLF-NRFANRHFSA-N	0	0	508.644	3.314	50	0		KGAARN
CCN(CC)C(=O)CSc1nc2ccccc2c(=O)n1Cc1ccc(C(=O)NC[C@H]2CCCO2)cc1	ZINC000009473788	553271202	/nfs/dbraw/zinc/27/12/02/553271202.db2.gz	OMCKKUWIKNVSLF-OAQYLSRUSA-N	0	0	508.644	3.314	50	0		KGAARN
CCOC(=O)C1CCN(C(=O)c2ccc3c(c2)nc2sc(Nc4ccccc4OC)nn2c3=O)CC1	ZINC000009473859	553271387	/nfs/dbraw/zinc/27/13/87/553271387.db2.gz	CHWXTBBSMTYINQ-UHFFFAOYSA-N	0	0	507.572	3.472	50	0		KGAARN
COCCNC(=O)c1ccc(-n2c(SCC(=O)NCCc3ccccc3)nc3ccccc3c2=O)cc1	ZINC000009474260	553271544	/nfs/dbraw/zinc/27/15/44/553271544.db2.gz	JWCWYNITHGCDKY-UHFFFAOYSA-N	0	0	516.623	3.213	50	0		KGAARN
Cc1cc(NC(=O)CSc2nc3ccsc3c(=O)n2CCCC(=O)NCCc2ccccc2)n[nH]1	ZINC000009474713	553271689	/nfs/dbraw/zinc/27/16/89/553271689.db2.gz	NPCBRBMBOGBHEO-UHFFFAOYSA-N	0	0	510.645	3.359	50	0		KGAARN
CC[C@@H](C)NC(=O)CSc1nc2ccsc2c(=O)n1CCCC(=O)NCc1ccc2c(c1)OCO2	ZINC000009474742	553271639	/nfs/dbraw/zinc/27/16/39/553271639.db2.gz	CLQQEOPJAQLECO-OAHLLOKOSA-N	0	0	516.645	3.290	50	0		KGAARN
CC[C@H](C)NC(=O)CSc1nc2ccsc2c(=O)n1CCCC(=O)NCc1ccc2c(c1)OCO2	ZINC000009474744	553271685	/nfs/dbraw/zinc/27/16/85/553271685.db2.gz	CLQQEOPJAQLECO-HNNXBMFYSA-N	0	0	516.645	3.290	50	0		KGAARN
CCc1ccc(-n2c(=O)c3c(C)c(C(=O)N(C)C)sc3n(CC(=O)N3C[C@H](C)C[C@H](C)C3)c2=O)cc1	ZINC000009475051	553271948	/nfs/dbraw/zinc/27/19/48/553271948.db2.gz	RNEPLBSTXHIPRH-CALCHBBNSA-N	0	0	510.660	3.291	50	0		KGAARN
COc1ccccc1-n1c(=O)c2c3c(sc2n(CC(=O)Nc2ccc(C)cc2)c1=O)CN(C(C)=O)CC3	ZINC000009475082	553271980	/nfs/dbraw/zinc/27/19/80/553271980.db2.gz	HXKWKYVONVGVKI-UHFFFAOYSA-N	0	0	518.595	3.074	50	0		KGAARN
COc1cccc(Cn2c3sc4c(c3c(=O)n(-c3ccc(OC)cc3OC)c2=O)CCN(C(C)=O)C4)c1	ZINC000009475086	553271919	/nfs/dbraw/zinc/27/19/19/553271919.db2.gz	SCORXKNZXURNEZ-UHFFFAOYSA-N	0	0	521.595	3.193	50	0		KGAARN
COc1ccc(-n2c(=O)c3c4c(sc3n(Cc3cccc(F)c3)c2=O)CN(C(C)=O)CC4)c(OC)c1	ZINC000009475087	553271987	/nfs/dbraw/zinc/27/19/87/553271987.db2.gz	IIFZILZWTGRYGN-UHFFFAOYSA-N	0	0	509.559	3.323	50	0		KGAARN
CCc1ccc(NC(=O)Cn2c3sc4c(c3c(=O)n(-c3ccccc3)c2=O)CCN(C(C)=O)C4)cc1	ZINC000009475092	553271975	/nfs/dbraw/zinc/27/19/75/553271975.db2.gz	LPXZCOLBLDFIQF-UHFFFAOYSA-N	0	0	502.596	3.320	50	0		KGAARN
CC(=O)N1CCc2c(sc3c2c(=O)n(-c2ccccc2)c(=O)n3CC(=O)Nc2ccccc2Cl)C1	ZINC000009475095	553271929	/nfs/dbraw/zinc/27/19/29/553271929.db2.gz	GRBMMVCWFSTRCY-UHFFFAOYSA-N	0	0	508.987	3.411	50	0		KGAARN
CC(=O)N1CCc2c(sc3c2c(=O)n(-c2ccccc2)c(=O)n3CC(=O)Nc2ccc(Cl)cc2)C1	ZINC000009475096	553271983	/nfs/dbraw/zinc/27/19/83/553271983.db2.gz	WJQLJXRFGSGZLO-UHFFFAOYSA-N	0	0	508.987	3.411	50	0		KGAARN
CC(=O)N1CCc2c(sc3c2c(=O)n(-c2ccccc2)c(=O)n3CC(=O)Nc2cccc(C)c2C)C1	ZINC000009475097	553271968	/nfs/dbraw/zinc/27/19/68/553271968.db2.gz	BFOLWFRHGBZLTN-UHFFFAOYSA-N	0	0	502.596	3.374	50	0		KGAARN
CC(=O)N1CCc2c(sc3c2c(=O)n(-c2ccccc2)c(=O)n3CC(=O)Nc2cc(C)ccc2C)C1	ZINC000009475098	553271985	/nfs/dbraw/zinc/27/19/85/553271985.db2.gz	FBMRHUBLLJPTCV-UHFFFAOYSA-N	0	0	502.596	3.374	50	0		KGAARN
COc1cccc(Cn2c3sc4c(c3c(=O)n(-c3ccc(OC)c(OC)c3)c2=O)CCN(C(C)=O)C4)c1	ZINC000009475101	553271991	/nfs/dbraw/zinc/27/19/91/553271991.db2.gz	JSYZTXOIFUBVPE-UHFFFAOYSA-N	0	0	521.595	3.193	50	0		KGAARN
CCOC(=O)c1c2c(sc1NC(=O)CSc1nnc(CNC(=O)Cc3ccccc3)n1C)CCC2	ZINC000009475191	553272221	/nfs/dbraw/zinc/27/22/21/553272221.db2.gz	NCIUMLNUDFRPGH-UHFFFAOYSA-N	0	0	513.645	3.132	50	0		KGAARN
CCOC(=O)c1c2c(sc1NC(=O)CSc1nnc(CNC(=O)c3cccs3)n1C)CCC2	ZINC000009475193	553272198	/nfs/dbraw/zinc/27/21/98/553272198.db2.gz	BFGUWRVHGFQKTI-UHFFFAOYSA-N	0	0	505.647	3.264	50	0		KGAARN
CCOC(=O)c1c2c(sc1NC(=O)CSc1nnc(CNC(=O)c3ccco3)n1C)CCCC2	ZINC000009475194	553272191	/nfs/dbraw/zinc/27/21/91/553272191.db2.gz	DJPLCGNEYKJAKO-UHFFFAOYSA-N	0	0	503.606	3.186	50	0		KGAARN
CCOC(=O)c1c2c(sc1NC(=O)CSc1nnc(CNC(=O)c3cccc(F)c3)n1C)CCC2	ZINC000009475196	553272185	/nfs/dbraw/zinc/27/21/85/553272185.db2.gz	CBZMVSQWPCKXME-UHFFFAOYSA-N	0	0	517.608	3.342	50	0		KGAARN
CCOC(=O)c1c2c(sc1NC(=O)CSc1nnc(CNC(=O)c3ccccc3F)n1C)CCC2	ZINC000009475198	553272206	/nfs/dbraw/zinc/27/22/06/553272206.db2.gz	OJWBBKAZNUOBIH-UHFFFAOYSA-N	0	0	517.608	3.342	50	0		KGAARN
CCOC(=O)c1c2c(sc1NC(=O)[C@@H](C)Sc1nnc(CNC(=O)c3ccco3)n1C)CCC2	ZINC000009475204	553272222	/nfs/dbraw/zinc/27/22/22/553272222.db2.gz	XVPXSLGNSIBRSR-GFCCVEGCSA-N	0	0	503.606	3.184	50	0		KGAARN
CCOC(=O)c1c2c(sc1NC(=O)[C@H](C)Sc1nnc(CNC(=O)c3ccco3)n1C)CCC2	ZINC000009475205	553272512	/nfs/dbraw/zinc/27/25/12/553272512.db2.gz	XVPXSLGNSIBRSR-LBPRGKRZSA-N	0	0	503.606	3.184	50	0		KGAARN
Cc1ccc(OCc2nnc(SCC(=O)Nc3ccc(S(N)(=O)=O)cc3)n2Cc2ccco2)cc1	ZINC000009480262	553272697	/nfs/dbraw/zinc/27/26/97/553272697.db2.gz	LIVFRGOBCGPMHN-UHFFFAOYSA-N	0	0	513.601	3.185	50	0		KGAARN
COCCNC(=O)c1ccc(N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c(NC(=O)c2ccc(F)cc2)c1	ZINC000009489983	553273600	/nfs/dbraw/zinc/27/36/00/553273600.db2.gz	DELSTOZRIAZHCD-NQIIRXRSSA-N	0	0	504.562	3.240	50	0		KGAARN
COc1ccc(C(=O)Nc2cc(C(=O)N3CCOCC3)ccc2N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc1	ZINC000009489988	553273585	/nfs/dbraw/zinc/27/35/85/553273585.db2.gz	MBMCWJSJGLYOOD-OFNKIYASSA-N	0	0	528.609	3.205	50	0		KGAARN
O=C(CSc1nc2n[nH]cc2c(=O)n1-c1ccc(Br)cc1)Nc1ccc2c(c1)OCCO2	ZINC000009490214	553273606	/nfs/dbraw/zinc/27/36/06/553273606.db2.gz	YPRGNMXGZAYXKE-UHFFFAOYSA-N	0	0	514.361	3.373	50	0		KGAARN
CCOC(=O)N1CCN(S(=O)(=O)c2ccc(F)c(C(=O)Nc3ccccc3Br)c2)CC1	ZINC000009490298	553273667	/nfs/dbraw/zinc/27/36/67/553273667.db2.gz	GRZPNAWSSAGQAR-UHFFFAOYSA-N	0	0	514.373	3.303	50	0		KGAARN
CCOC(=O)N1CCN(S(=O)(=O)c2ccc(F)c(C(=O)Nc3ccc(Br)cc3)c2)CC1	ZINC000009490353	553273679	/nfs/dbraw/zinc/27/36/79/553273679.db2.gz	RFBSIMPFFFWBSF-UHFFFAOYSA-N	0	0	514.373	3.303	50	0		KGAARN
COc1ccc(NC(=O)CN2C(=O)COc3ccc(S(=O)(=O)N4CCC(C)CC4)cc32)cc1Cl	ZINC000009490487	553273904	/nfs/dbraw/zinc/27/39/04/553273904.db2.gz	LGADHJWCUZQAQL-UHFFFAOYSA-N	0	0	507.996	3.133	50	0		KGAARN
CCOc1ccc(OCC)c(NC(=O)CN2C(=O)COc3ccc(S(=O)(=O)N4CCC(C)CC4)cc32)c1	ZINC000009490495	553273938	/nfs/dbraw/zinc/27/39/38/553273938.db2.gz	PNUDDCYCNLDEOO-UHFFFAOYSA-N	0	0	531.631	3.269	50	0		KGAARN
CCOC(=O)C1CCN(C(=O)c2cnc3ccc(S(=O)(=O)N(C)c4cc(C)ccc4C)cc3c2O)CC1	ZINC000009490576	553273919	/nfs/dbraw/zinc/27/39/19/553273919.db2.gz	SILAYFHNTYDTRR-UHFFFAOYSA-N	0	0	525.627	3.385	50	0		KGAARN
COc1ccc(-n2c(=O)c3c[nH]nc3nc2SCc2cc(=O)n3cc(Br)ccc3n2)cc1	ZINC000009490753	553274094	/nfs/dbraw/zinc/27/40/94/553274094.db2.gz	URMIGARECRJRSU-UHFFFAOYSA-N	0	0	511.361	3.180	50	0		KGAARN
CC1CCN(S(=O)(=O)c2ccc3ncc(C(=O)N4CCN(c5ccc(F)cc5)CC4)c(O)c3c2)CC1	ZINC000009490793	553274012	/nfs/dbraw/zinc/27/40/12/553274012.db2.gz	DACMDRQMKSOGKZ-UHFFFAOYSA-N	0	0	512.607	3.050	50	0		KGAARN
Cc1c(C(=O)Nc2cccc(Cl)c2)sc2ncn(CC(=O)N3CCN(c4ccccn4)CC3)c(=O)c12	ZINC000009495223	553274237	/nfs/dbraw/zinc/27/42/37/553274237.db2.gz	WNPRUNPCRZLYHS-UHFFFAOYSA-N	0	0	523.018	3.416	50	0		KGAARN
CCN(c1cccc(C)c1)S(=O)(=O)c1ccc2ncc(C(=O)N3CCC4(CC3)OCCO4)c(O)c2c1	ZINC000009495337	553274243	/nfs/dbraw/zinc/27/42/43/553274243.db2.gz	VNKMVCBQBWCOQO-UHFFFAOYSA-N	0	0	511.600	3.031	50	0		KGAARN
COc1ccc(CCNC(=O)c2cnc3ccc(S(=O)(=O)N4C[C@H](C)C[C@H](C)C4)cc3c2O)cc1OC	ZINC000009495417	553274587	/nfs/dbraw/zinc/27/45/87/553274587.db2.gz	KHQXEFDDNLLYGH-HDICACEKSA-N	0	0	527.643	3.184	50	0		KGAARN
COc1ccc(CCNC(=O)c2cnc3ccc(S(=O)(=O)N4C[C@@H](C)C[C@H](C)C4)cc3c2O)cc1OC	ZINC000009495420	553274620	/nfs/dbraw/zinc/27/46/20/553274620.db2.gz	KHQXEFDDNLLYGH-ROUUACIJSA-N	0	0	527.643	3.184	50	0		KGAARN
COc1ccc(CCNC(=O)c2cnc3ccc(S(=O)(=O)N4C[C@H](C)C[C@@H](C)C4)cc3c2O)cc1OC	ZINC000009495424	553274591	/nfs/dbraw/zinc/27/45/91/553274591.db2.gz	KHQXEFDDNLLYGH-QZTJIDSGSA-N	0	0	527.643	3.184	50	0		KGAARN
COc1cc(NC(=O)c2sc3ncn(CC(=O)N4CCC[C@H](C)C4)c(=O)c3c2C)cc(OC)c1OC	ZINC000009497167	553274596	/nfs/dbraw/zinc/27/45/96/553274596.db2.gz	LNDLBMKKCVWBFH-AWEZNQCLSA-N	0	0	514.604	3.303	50	0		KGAARN
COc1cc(NC(=O)c2sc3ncn(CC(=O)N4CCC[C@@H](C)C4)c(=O)c3c2C)cc(OC)c1OC	ZINC000009497172	553274595	/nfs/dbraw/zinc/27/45/95/553274595.db2.gz	LNDLBMKKCVWBFH-CQSZACIVSA-N	0	0	514.604	3.303	50	0		KGAARN
COc1cc(NC(=O)c2sc3ncn(CC(=O)N4CCCCC4)c(=O)c3c2C)cc(OC)c1OC	ZINC000009498553	553274808	/nfs/dbraw/zinc/27/48/08/553274808.db2.gz	MHUCNTBHJRXIRR-UHFFFAOYSA-N	0	0	500.577	3.057	50	0		KGAARN
COc1cc(NC(=O)c2sc3ncn(CC(=O)N4CCCC[C@H]4C)c(=O)c3c2C)cc(OC)c1OC	ZINC000009498864	553275006	/nfs/dbraw/zinc/27/50/06/553275006.db2.gz	DYXSCPVVPOOVRI-CQSZACIVSA-N	0	0	514.604	3.446	50	0		KGAARN
CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(C(C)C)c1=NC(=O)c1cc(OC)cc(OC)c1	ZINC000009501080	1059672687	/nfs/dbraw/zinc/67/26/87/1059672687.db2.gz	MBFCOYUXZYCIRA-UHFFFAOYSA-N	0	0	504.543	3.474	50	0		KGAARN
Cc1c(C(=O)N2CCN(c3ccccc3)CC2)sc2ncn(CC(=O)N3C[C@H](C)C[C@H](C)C3)c(=O)c12	ZINC000009501208	553275186	/nfs/dbraw/zinc/27/51/86/553275186.db2.gz	WLFXLLWJKHPTBD-KDURUIRLSA-N	0	0	507.660	3.233	50	0		KGAARN
COc1ccc(CCNC(=O)c2sc3ncn(CC(=O)N4C[C@H](C)C[C@H](C)C4)c(=O)c3c2C)cc1OC	ZINC000009501325	553275136	/nfs/dbraw/zinc/27/51/36/553275136.db2.gz	BBGSVFNWIYUTBC-CALCHBBNSA-N	0	0	526.659	3.261	50	0		KGAARN
COc1ccc(CCNC(=O)c2sc3ncn(CC(=O)N4C[C@@H](C)C[C@H](C)C4)c(=O)c3c2C)cc1OC	ZINC000009501330	553275162	/nfs/dbraw/zinc/27/51/62/553275162.db2.gz	BBGSVFNWIYUTBC-IRXDYDNUSA-N	0	0	526.659	3.261	50	0		KGAARN
CSCC[C@H](NS(=O)(=O)c1ccc2c(c1)oc(=O)n2C)C(=O)N1CCC(Cc2ccccc2)CC1	ZINC000009501669	553275352	/nfs/dbraw/zinc/27/53/52/553275352.db2.gz	HVVUCPDLGDUXLE-NRFANRHFSA-N	0	0	517.673	3.013	50	0		KGAARN
CSCC[C@@H](NS(=O)(=O)c1ccc2c(c1)oc(=O)n2C)C(=O)N1CCC(Cc2ccccc2)CC1	ZINC000009501676	553275368	/nfs/dbraw/zinc/27/53/68/553275368.db2.gz	HVVUCPDLGDUXLE-OAQYLSRUSA-N	0	0	517.673	3.013	50	0		KGAARN
COc1ccccc1N1CCN(C(=O)[C@@H](NS(=O)(=O)c2ccc3nc(C)sc3c2)C(C)C)CC1	ZINC000009501728	553275372	/nfs/dbraw/zinc/27/53/72/553275372.db2.gz	QFWWGMVKVAJUJU-QHCPKHFHSA-N	0	0	502.662	3.265	50	0		KGAARN
COc1ccccc1N1CCN(C(=O)[C@H](NS(=O)(=O)c2ccc3nc(C)sc3c2)C(C)C)CC1	ZINC000009501733	553275336	/nfs/dbraw/zinc/27/53/36/553275336.db2.gz	QFWWGMVKVAJUJU-HSZRJFAPSA-N	0	0	502.662	3.265	50	0		KGAARN
CN1c2ccc(S(=O)(=O)NCC3CCC(C(=O)NCc4ccc(F)cc4)CC3)cc2C(C)(C)C1=O	ZINC000009503199	553275340	/nfs/dbraw/zinc/27/53/40/553275340.db2.gz	VHRMEDRVOMGVPC-UHFFFAOYSA-N	0	0	501.624	3.481	50	0		KGAARN
CCOC(=O)N1CCN(C(=O)c2sc3ncnc(N4CCN(c5ccccc5OC)CC4)c3c2C)CC1	ZINC000009504886	553275624	/nfs/dbraw/zinc/27/56/24/553275624.db2.gz	CWSXWOHGNFOTEX-UHFFFAOYSA-N	0	0	524.647	3.249	50	0		KGAARN
CCN(CC)c1ccc(NC(=O)CN2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)cc1	ZINC000009505166	553275608	/nfs/dbraw/zinc/27/56/08/553275608.db2.gz	QWSQBCRLMAUZIM-UHFFFAOYSA-N	0	0	509.470	3.240	50	0		KGAARN
COc1cc(OC)cc(-n2nc(C(=O)N3CCN(c4ccccc4OC)CC3)c3ccccc3c2=O)c1	ZINC000009505614	553275724	/nfs/dbraw/zinc/27/57/24/553275724.db2.gz	MOQMEYNQJGQBQV-UHFFFAOYSA-N	0	0	500.555	3.374	50	0		KGAARN
Nc1nc(SCC(=O)Nc2ccc(F)cc2F)[nH]c(=O)c1NC(=O)c1ccc(Br)cc1	ZINC000009518106	553276358	/nfs/dbraw/zinc/27/63/58/553276358.db2.gz	MJBZOVBEQJSAKX-UHFFFAOYSA-N	0	0	510.320	3.376	50	0		KGAARN
CCOc1ccccc1NC(=O)CSc1nc(N)c(NC(=O)c2ccc(Br)o2)c(=O)[nH]1	ZINC000009518241	553276577	/nfs/dbraw/zinc/27/65/77/553276577.db2.gz	JXYYIHHUWISUAP-UHFFFAOYSA-N	0	0	508.354	3.089	50	0		KGAARN
CCOC(=O)c1ccccc1NC(=O)CS(=O)(=O)c1cn(CC(=O)N2CCCCC2)c2ccccc12	ZINC000009519705	553276730	/nfs/dbraw/zinc/27/67/30/553276730.db2.gz	WCRXAZQTELJPNW-UHFFFAOYSA-N	0	0	511.600	3.243	50	0		KGAARN
CCOC(=O)c1ccc(NC(=O)CS(=O)(=O)c2cn(CC(=O)N3CCCCC3)c3ccccc23)cc1	ZINC000009519706	553276718	/nfs/dbraw/zinc/27/67/18/553276718.db2.gz	DKAARGPAPMHNCR-UHFFFAOYSA-N	0	0	511.600	3.243	50	0		KGAARN
O=C(CS(=O)(=O)c1cn(CC(=O)N2CCCCCC2)c2ccccc12)Nc1ccc2c(c1)OCCO2	ZINC000009519812	553276737	/nfs/dbraw/zinc/27/67/37/553276737.db2.gz	CCPQJRREQLXKJL-UHFFFAOYSA-N	0	0	511.600	3.228	50	0		KGAARN
COC(=O)c1ccc(NC(=O)CS(=O)(=O)c2cn(CC(=O)N3CCCCCC3)c3ccccc23)cc1	ZINC000009519820	553276746	/nfs/dbraw/zinc/27/67/46/553276746.db2.gz	ZTCFVYZKDFFIHR-UHFFFAOYSA-N	0	0	511.600	3.243	50	0		KGAARN
CC(=O)Nc1cccc(NC(=O)CS(=O)(=O)c2cn(CC(=O)N3CCCCCC3)c3ccccc23)c1	ZINC000009519822	553276740	/nfs/dbraw/zinc/27/67/40/553276740.db2.gz	BCOSKBNJHNITOP-UHFFFAOYSA-N	0	0	510.616	3.415	50	0		KGAARN
CC(=O)Nc1ccc(NC(=O)CS(=O)(=O)c2cn(CC(=O)N3CCCCCC3)c3ccccc23)cc1	ZINC000009519823	553276722	/nfs/dbraw/zinc/27/67/22/553276722.db2.gz	BGJZHSWLAYYTJF-UHFFFAOYSA-N	0	0	510.616	3.415	50	0		KGAARN
COc1ccc(OC)c(NC(=O)CS(=O)(=O)c2cn(CC(=O)N3CCC(C)CC3)c3ccccc23)c1	ZINC000009519874	553276720	/nfs/dbraw/zinc/27/67/20/553276720.db2.gz	KTMRSCOFADKIFP-UHFFFAOYSA-N	0	0	513.616	3.329	50	0		KGAARN
CC1CCN(C(=O)Cn2cc(S(=O)(=O)CC(=O)Nc3ccc4c(c3)OCCO4)c3ccccc32)CC1	ZINC000009519876	553276900	/nfs/dbraw/zinc/27/69/00/553276900.db2.gz	JLDMFAIMXXLGQD-UHFFFAOYSA-N	0	0	511.600	3.083	50	0		KGAARN
CCOC(=O)c1ccccc1NC(=O)CS(=O)(=O)c1cn(CC(=O)N2CCC(C)CC2)c2ccccc12	ZINC000009519880	553276851	/nfs/dbraw/zinc/27/68/51/553276851.db2.gz	ROQPBXIMTPWRQI-UHFFFAOYSA-N	0	0	525.627	3.489	50	0		KGAARN
CCOC(=O)c1ccc(NC(=O)CS(=O)(=O)c2cn(CC(=O)N3CCC(C)CC3)c3ccccc23)cc1	ZINC000009519881	553276939	/nfs/dbraw/zinc/27/69/39/553276939.db2.gz	BOORHQJELDWZEG-UHFFFAOYSA-N	0	0	525.627	3.489	50	0		KGAARN
COC(=O)c1ccc(NC(=O)CS(=O)(=O)c2cn(CC(=O)N3CCC(C)CC3)c3ccccc23)cc1	ZINC000009519882	553276895	/nfs/dbraw/zinc/27/68/95/553276895.db2.gz	DORFLUQBZBXQIJ-UHFFFAOYSA-N	0	0	511.600	3.099	50	0		KGAARN
CC(=O)Nc1cccc(NC(=O)CS(=O)(=O)c2cn(CC(=O)N3CCC(C)CC3)c3ccccc23)c1	ZINC000009519883	553276909	/nfs/dbraw/zinc/27/69/09/553276909.db2.gz	GXIWYFRENIZOIT-UHFFFAOYSA-N	0	0	510.616	3.271	50	0		KGAARN
CC(=O)Nc1ccc(NC(=O)CS(=O)(=O)c2cn(CC(=O)N3CCC(C)CC3)c3ccccc23)cc1	ZINC000009519884	553276936	/nfs/dbraw/zinc/27/69/36/553276936.db2.gz	RPBVQIUHJOQZNK-UHFFFAOYSA-N	0	0	510.616	3.271	50	0		KGAARN
CC(C)N(C(=O)Cn1cc(S(=O)(=O)CC(=O)Nc2ccc3c(c2)OCCO3)c2ccccc21)C(C)C	ZINC000009519924	553276858	/nfs/dbraw/zinc/27/68/58/553276858.db2.gz	UCLKYNURMYMAHK-UHFFFAOYSA-N	0	0	513.616	3.470	50	0		KGAARN
CC(C)N(C(=O)Cn1cc(S(=O)(=O)CC(=O)NCc2ccc3c(c2)OCO3)c2ccccc21)C(C)C	ZINC000009519929	553276847	/nfs/dbraw/zinc/27/68/47/553276847.db2.gz	JVHDNURWUAVWPG-UHFFFAOYSA-N	0	0	513.616	3.106	50	0		KGAARN
COc1ccc(Cl)cc1NC(=O)COC(=O)[C@@H]1CC(=O)N(NC(=O)c2ccc(C(C)(C)C)cc2)C1	ZINC000009525927	553277122	/nfs/dbraw/zinc/27/71/22/553277122.db2.gz	SEOBJEMAWRWWHU-MRXNPFEDSA-N	0	0	501.967	3.321	50	0		KGAARN
COc1ccc(Cl)cc1NC(=O)COC(=O)[C@H]1CC(=O)N(NC(=O)c2ccc(C(C)(C)C)cc2)C1	ZINC000009525928	553277139	/nfs/dbraw/zinc/27/71/39/553277139.db2.gz	SEOBJEMAWRWWHU-INIZCTEOSA-N	0	0	501.967	3.321	50	0		KGAARN
CCCOC(=O)c1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccc(C(=O)OC(C)C)cc3)C2)cc1	ZINC000009525931	553277137	/nfs/dbraw/zinc/27/71/37/553277137.db2.gz	XYAWCELICKNQHZ-HXUWFJFHSA-N	0	0	510.543	3.353	50	0		KGAARN
CCCOC(=O)c1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccc(C(=O)OC(C)C)cc3)C2)cc1	ZINC000009525932	553277144	/nfs/dbraw/zinc/27/71/44/553277144.db2.gz	XYAWCELICKNQHZ-FQEVSTJZSA-N	0	0	510.543	3.353	50	0		KGAARN
CCCOC(=O)c1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccc(C(=O)OCCC)cc3)C2)cc1	ZINC000009525937	553277125	/nfs/dbraw/zinc/27/71/25/553277125.db2.gz	CZJDGKCACBOGAB-HXUWFJFHSA-N	0	0	510.543	3.355	50	0		KGAARN
CCCOC(=O)c1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccc(C(=O)OCCC)cc3)C2)cc1	ZINC000009525938	553277100	/nfs/dbraw/zinc/27/71/00/553277100.db2.gz	CZJDGKCACBOGAB-FQEVSTJZSA-N	0	0	510.543	3.355	50	0		KGAARN
Cc1cc(NC(=O)CSC2=Nc3ccccc3C3=N[C@H](CCC(=O)NCc4cccs4)C(=O)N32)n[nH]1	ZINC000009529517	553277132	/nfs/dbraw/zinc/27/71/32/553277132.db2.gz	KFNQHWAPXWBUHX-GOSISDBHSA-N	0	0	521.628	3.207	50	0		KGAARN
Cc1cc(NC(=O)CSC2=Nc3ccccc3C3=N[C@@H](CCC(=O)NCc4cccs4)C(=O)N32)n[nH]1	ZINC000009529518	553277083	/nfs/dbraw/zinc/27/70/83/553277083.db2.gz	KFNQHWAPXWBUHX-SFHVURJKSA-N	0	0	521.628	3.207	50	0		KGAARN
Cc1cc(NC(=O)CSC2=Nc3ccccc3C3=N[C@H](CCC(=O)NC4CCCCC4)C(=O)N32)n[nH]1	ZINC000009529521	553277108	/nfs/dbraw/zinc/27/71/08/553277108.db2.gz	OHTNYCVNGUTPNB-LJQANCHMSA-N	0	0	507.620	3.278	50	0		KGAARN
Cc1cc(NC(=O)CSC2=Nc3ccccc3C3=N[C@@H](CCC(=O)NC4CCCCC4)C(=O)N32)n[nH]1	ZINC000009529522	553277105	/nfs/dbraw/zinc/27/71/05/553277105.db2.gz	OHTNYCVNGUTPNB-IBGZPJMESA-N	0	0	507.620	3.278	50	0		KGAARN
CCN(CCCNC(=O)CCCCCn1c(=O)[nH]c2cc(C(=O)OC)ccc2c1=O)c1cccc(C)c1	ZINC000009529811	553277340	/nfs/dbraw/zinc/27/73/40/553277340.db2.gz	QLBBRNKSVPPMHB-UHFFFAOYSA-N	0	0	508.619	3.378	50	0		KGAARN
COC(=O)c1ccc2c(c1)[nH]c(=O)n(CCCCCC(=O)N1CCN(c3cccc(Cl)c3)CC1)c2=O	ZINC000009529812	553277326	/nfs/dbraw/zinc/27/73/26/553277326.db2.gz	ODZPYUJMZIIKNK-UHFFFAOYSA-N	0	0	512.994	3.039	50	0		KGAARN
COC(=O)c1ccc2c(c1)[nH]c(=O)n(CCCCCC(=O)N1CCN(c3cccc(C)c3)[C@@H](C)C1)c2=O	ZINC000009529815	553277335	/nfs/dbraw/zinc/27/73/35/553277335.db2.gz	BUGJIPAHAMQEKR-FQEVSTJZSA-N	0	0	506.603	3.083	50	0		KGAARN
COC(=O)c1ccc2c(c1)[nH]c(=O)n(CCCCCC(=O)N1CCN(c3cccc(C)c3)[C@H](C)C1)c2=O	ZINC000009529816	553277357	/nfs/dbraw/zinc/27/73/57/553277357.db2.gz	BUGJIPAHAMQEKR-HXUWFJFHSA-N	0	0	506.603	3.083	50	0		KGAARN
CCOc1cc2[nH]c(=O)n(CC3CCC(C(=O)N(C)CCc4ccccn4)CC3)c(=O)c2cc1OCC	ZINC000009529837	553277339	/nfs/dbraw/zinc/27/73/39/553277339.db2.gz	BKULPPCQOBYYRP-UHFFFAOYSA-N	0	0	508.619	3.390	50	0		KGAARN
CCN(CCCNC(=O)Cc1ccc(NC2=N[C@@H]3CS(=O)(=O)C[C@@H]3S2)cc1)c1cccc(C)c1	ZINC000009529934	553277300	/nfs/dbraw/zinc/27/73/00/553277300.db2.gz	YJLVUJBJORFZRS-PKTZIBPZSA-N	0	0	500.690	3.251	50	0		KGAARN
CCN(CCCNC(=O)Cc1ccc(NC2=N[C@H]3CS(=O)(=O)C[C@@H]3S2)cc1)c1cccc(C)c1	ZINC000009529935	553277315	/nfs/dbraw/zinc/27/73/15/553277315.db2.gz	YJLVUJBJORFZRS-GOTSBHOMSA-N	0	0	500.690	3.251	50	0		KGAARN
CCOc1ccc(N(CC(=O)Nc2cc(Cl)ccc2OC)C2=N[C@H]3CS(=O)(=O)C[C@@H]3S2)cc1	ZINC000009530092	553277514	/nfs/dbraw/zinc/27/75/14/553277514.db2.gz	JOZIDBBUTPYTAG-ICSRJNTNSA-N	0	0	510.037	3.461	50	0		KGAARN
CCOc1ccc(N(CC(=O)Nc2cc(Cl)ccc2OC)C2=N[C@H]3CS(=O)(=O)C[C@H]3S2)cc1	ZINC000009530093	553277465	/nfs/dbraw/zinc/27/74/65/553277465.db2.gz	JOZIDBBUTPYTAG-AZUAARDMSA-N	0	0	510.037	3.461	50	0		KGAARN
CCOc1ccc(CCNC(=O)c2ccc(C)c(NC3=N[C@@H]4CS(=O)(=O)C[C@@H]4S3)c2)cc1OCC	ZINC000009530142	553277806	/nfs/dbraw/zinc/27/78/06/553277806.db2.gz	XPEFBGXUOCETDJ-OFNKIYASSA-N	0	0	517.673	3.445	50	0		KGAARN
CCOc1ccc(CCNC(=O)c2ccc(C)c(NC3=N[C@H]4CS(=O)(=O)C[C@@H]4S3)c2)cc1OCC	ZINC000009530143	553277709	/nfs/dbraw/zinc/27/77/09/553277709.db2.gz	XPEFBGXUOCETDJ-REWPJTCUSA-N	0	0	517.673	3.445	50	0		KGAARN
CCOc1ccc(CCNC(=O)c2ccc(C)c(NC3=N[C@@H]4CS(=O)(=O)C[C@H]4S3)c2)cc1OCC	ZINC000009530144	553277784	/nfs/dbraw/zinc/27/77/84/553277784.db2.gz	XPEFBGXUOCETDJ-NFBKMPQASA-N	0	0	517.673	3.445	50	0		KGAARN
CCOc1ccc(CCNC(=O)c2ccc(C)c(NC3=N[C@H]4CS(=O)(=O)C[C@H]4S3)c2)cc1OCC	ZINC000009530145	553277698	/nfs/dbraw/zinc/27/76/98/553277698.db2.gz	XPEFBGXUOCETDJ-NZQKXSOJSA-N	0	0	517.673	3.445	50	0		KGAARN
COc1cccc(N2C(=O)Nc3ccc(Br)cc3[C@]2(O)C(=O)N2CCC3(CC2)OCCO3)c1	ZINC000009546126	553278155	/nfs/dbraw/zinc/27/81/55/553278155.db2.gz	YWPNLQVHWAYSNP-QHCPKHFHSA-N	0	0	518.364	3.020	50	0		KGAARN
COc1cccc(N2C(=O)Nc3ccc(Br)cc3[C@@]2(O)C(=O)N2CCC3(CC2)OCCO3)c1	ZINC000009546127	553278150	/nfs/dbraw/zinc/27/81/50/553278150.db2.gz	YWPNLQVHWAYSNP-HSZRJFAPSA-N	0	0	518.364	3.020	50	0		KGAARN
CCOC(=O)N1CCN(C(=O)CN(c2ccc(Br)cc2)S(=O)(=O)c2ccc(C)cc2)CC1	ZINC000009553461	553278500	/nfs/dbraw/zinc/27/85/00/553278500.db2.gz	GJZNOYHEOZGVEZ-UHFFFAOYSA-N	0	0	524.437	3.254	50	0		KGAARN
C[C@H](CNC(=O)COc1ccc(Br)cc1)NC(=O)COc1ccc(Br)cc1	ZINC000009553690	553278479	/nfs/dbraw/zinc/27/84/79/553278479.db2.gz	FFKBUJGQELOXQS-CYBMUJFWSA-N	0	0	500.187	3.290	50	0		KGAARN
COc1cc2c(cc1OC)[C@@H]1[C@H](C(=O)NC[C@@H]3COc4ccccc4O3)c3ccccc3C(=O)N1CC2	ZINC000009559197	553279388	/nfs/dbraw/zinc/27/93/88/553279388.db2.gz	SSCLKSPNENVIFB-PZYXKGHLSA-N	0	0	500.551	3.497	50	0		KGAARN
COc1cc2c(cc1OC)[C@@H]1[C@@H](C(=O)NC[C@@H]3COc4ccccc4O3)c3ccccc3C(=O)N1CC2	ZINC000009559199	553279406	/nfs/dbraw/zinc/27/94/06/553279406.db2.gz	SSCLKSPNENVIFB-BLIZRMSTSA-N	0	0	500.551	3.497	50	0		KGAARN
CCOC(=O)N1CCC(NC(=O)[C@@H]2c3ccccc3C(=O)N3CCc4cc(OC)c(OC)cc4[C@H]23)CC1	ZINC000009559239	553279508	/nfs/dbraw/zinc/27/95/08/553279508.db2.gz	UXHOAFPXLAXDSB-JWQCQUIFSA-N	0	0	507.587	3.278	50	0		KGAARN
CCOC(=O)N1CCC(NC(=O)[C@H]2c3ccccc3C(=O)N3CCc4cc(OC)c(OC)cc4[C@H]23)CC1	ZINC000009559240	553279601	/nfs/dbraw/zinc/27/96/01/553279601.db2.gz	UXHOAFPXLAXDSB-LOSJGSFVSA-N	0	0	507.587	3.278	50	0		KGAARN
CCOC(=O)N1CCC(NC(=O)[C@@H]2c3ccccc3C(=O)N3CCc4cc(OC)c(OC)cc4[C@@H]23)CC1	ZINC000009559241	553279495	/nfs/dbraw/zinc/27/94/95/553279495.db2.gz	UXHOAFPXLAXDSB-RPBOFIJWSA-N	0	0	507.587	3.278	50	0		KGAARN
CCOC(=O)N1CCC(NC(=O)[C@H]2c3ccccc3C(=O)N3CCc4cc(OC)c(OC)cc4[C@@H]23)CC1	ZINC000009559242	553279539	/nfs/dbraw/zinc/27/95/39/553279539.db2.gz	UXHOAFPXLAXDSB-DQEYMECFSA-N	0	0	507.587	3.278	50	0		KGAARN
CCOC(=O)c1ccccc1NC(=O)Cn1cc(S(=O)(=O)N2CCC(C)CC2)c2ccccc2c1=O	ZINC000009559331	553279575	/nfs/dbraw/zinc/27/95/75/553279575.db2.gz	PZLLDWFKTLJBSC-UHFFFAOYSA-N	0	0	511.600	3.238	50	0		KGAARN
COc1ccc(CCNC(=O)C2CCN(S(=O)(=O)c3ccc(Br)s3)CC2)cc1OC	ZINC000009559418	553279715	/nfs/dbraw/zinc/27/97/15/553279715.db2.gz	OZJMOCUFBVXXCD-UHFFFAOYSA-N	0	0	517.467	3.287	50	0		KGAARN
COc1ccc(CCNC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(Br)s3)C2)cc1OC	ZINC000009559470	553279734	/nfs/dbraw/zinc/27/97/34/553279734.db2.gz	FFXCWGLVENNPMF-OAHLLOKOSA-N	0	0	517.467	3.287	50	0		KGAARN
COc1ccc(CCNC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(Br)s3)C2)cc1OC	ZINC000009559471	553279750	/nfs/dbraw/zinc/27/97/50/553279750.db2.gz	FFXCWGLVENNPMF-HNNXBMFYSA-N	0	0	517.467	3.287	50	0		KGAARN
CCOc1cc2c(cc1OCC)[C@H]1[C@@H](C(=O)NCCCN3CCCC3=O)c3ccccc3C(=O)N1CC2	ZINC000009560507	553280563	/nfs/dbraw/zinc/28/05/63/553280563.db2.gz	ZQNATADDGDVJFW-SVBPBHIXSA-N	0	0	505.615	3.450	50	0		KGAARN
CCOC(=O)c1ccc(NC(=O)CSc2ccc3nnc(CCNC(=O)c4ccccc4)n3n2)cc1	ZINC000009578354	553281684	/nfs/dbraw/zinc/28/16/84/553281684.db2.gz	IIGMVTMYCIFUAU-UHFFFAOYSA-N	0	0	504.572	3.004	50	0		KGAARN
COc1ccc(NC(=O)CSc2ccc3nnc(CCNC(=O)c4ccc(C)cc4)n3n2)c(OC)c1	ZINC000009578460	553281819	/nfs/dbraw/zinc/28/18/19/553281819.db2.gz	GJOOXNOOQGQMMM-UHFFFAOYSA-N	0	0	506.588	3.153	50	0		KGAARN
COc1ccc(OC)c(NC(=O)CSc2ccc3nnc(CCNC(=O)c4ccc(C)cc4)n3n2)c1	ZINC000009578463	553281816	/nfs/dbraw/zinc/28/18/16/553281816.db2.gz	JYPOQHITJJVVSG-UHFFFAOYSA-N	0	0	506.588	3.153	50	0		KGAARN
CCOC(=O)c1ccccc1NC(=O)CSc1ccc2nnc(CCNC(=O)c3ccc(C)cc3)n2n1	ZINC000009578487	553281812	/nfs/dbraw/zinc/28/18/12/553281812.db2.gz	LNIRIAMPONWZDM-UHFFFAOYSA-N	0	0	518.599	3.313	50	0		KGAARN
CC(=O)Nc1ccc(NC(=O)CSc2ccc3nnc(CCNC(=O)c4ccc(C)cc4)n3n2)cc1	ZINC000009578495	553281860	/nfs/dbraw/zinc/28/18/60/553281860.db2.gz	PTOXLQMBGOCFTC-UHFFFAOYSA-N	0	0	503.588	3.094	50	0		KGAARN
COc1ccc(C(=O)NCCc2nnc3ccc(SCC(=O)N4CCCc5ccccc54)nn32)cc1	ZINC000009578560	553281854	/nfs/dbraw/zinc/28/18/54/553281854.db2.gz	YEIUTXNOOGEVCX-UHFFFAOYSA-N	0	0	502.600	3.177	50	0		KGAARN
CCOc1ccccc1NC(=O)CSc1ccc2nnc(CCNC(=O)c3ccc(OC)cc3)n2n1	ZINC000009578603	553281851	/nfs/dbraw/zinc/28/18/51/553281851.db2.gz	JZXZOHSVVQIMMH-UHFFFAOYSA-N	0	0	506.588	3.235	50	0		KGAARN
CCOc1ccc(NC(=O)CSc2ccc3nnc(CCNC(=O)c4ccc(OC)cc4)n3n2)cc1	ZINC000009578605	553281888	/nfs/dbraw/zinc/28/18/88/553281888.db2.gz	MMMAVBKTPJVPHN-UHFFFAOYSA-N	0	0	506.588	3.235	50	0		KGAARN
COc1ccc(C(=O)NCCc2nnc3ccc(SCC(=O)Nc4ccc(C(C)=O)cc4)nn32)cc1	ZINC000009578614	553281884	/nfs/dbraw/zinc/28/18/84/553281884.db2.gz	GSFULJRFCVBHDA-UHFFFAOYSA-N	0	0	504.572	3.039	50	0		KGAARN
COc1ccc(C(=O)NCCc2nnc3ccc(SCC(=O)NCc4ccccc4Cl)nn32)cc1	ZINC000009578626	553281824	/nfs/dbraw/zinc/28/18/24/553281824.db2.gz	QPCLLHPKPDZJML-UHFFFAOYSA-N	0	0	511.007	3.167	50	0		KGAARN
COc1ccc(C(=O)NCCc2nnc3ccc(SCC(=O)Nc4nc5ccccc5s4)nn32)cc1	ZINC000009578629	553281797	/nfs/dbraw/zinc/28/17/97/553281797.db2.gz	JYFYJVKMXDRMLR-UHFFFAOYSA-N	0	0	519.612	3.446	50	0		KGAARN
COc1cccc([C@@H]2OC(c3cc(I)ccc3OC(C)=O)=NN2C(C)=O)c1OC	ZINC000009586193	553282633	/nfs/dbraw/zinc/28/26/33/553282633.db2.gz	SEZLHVWQKUKNPH-FQEVSTJZSA-N	0	0	510.284	3.473	50	0		KGAARN
COc1cccc([C@H]2OC(c3cc(I)ccc3OC(C)=O)=NN2C(C)=O)c1OC	ZINC000009586197	553282653	/nfs/dbraw/zinc/28/26/53/553282653.db2.gz	SEZLHVWQKUKNPH-HXUWFJFHSA-N	0	0	510.284	3.473	50	0		KGAARN
CC(=O)Oc1cccc(C2=NN(C(C)=O)[C@H](c3cccc(I)c3)O2)c1OC(C)=O	ZINC000009587099	553282788	/nfs/dbraw/zinc/28/27/88/553282788.db2.gz	MSSOYOFCXCCCGN-FQEVSTJZSA-N	0	0	508.268	3.381	50	0		KGAARN
CC(=O)Oc1cccc(C2=NN(C(C)=O)[C@@H](c3cccc(I)c3)O2)c1OC(C)=O	ZINC000009587103	553282776	/nfs/dbraw/zinc/28/27/76/553282776.db2.gz	MSSOYOFCXCCCGN-HXUWFJFHSA-N	0	0	508.268	3.381	50	0		KGAARN
COc1ccc(OC(C)=O)c(C2=NN(C(C)=O)[C@H](CN(C(C)=O)c3ccc(Br)cc3)O2)c1	ZINC000009587271	553282829	/nfs/dbraw/zinc/28/28/29/553282829.db2.gz	QWJUOXKRJUDNLI-NRFANRHFSA-N	0	0	504.337	3.303	50	0		KGAARN
COc1ccc(OC(C)=O)c(C2=NN(C(C)=O)[C@@H](CN(C(C)=O)c3ccc(Br)cc3)O2)c1	ZINC000009587273	553282799	/nfs/dbraw/zinc/28/27/99/553282799.db2.gz	QWJUOXKRJUDNLI-OAQYLSRUSA-N	0	0	504.337	3.303	50	0		KGAARN
CCOc1cc2[nH]c(=O)n(CC3CCC(C(=O)N4CCN(c5ccccn5)CC4)CC3)c(=O)c2cc1OCC	ZINC000009589891	553282762	/nfs/dbraw/zinc/28/27/62/553282762.db2.gz	AMIWQKUPYTUFKR-UHFFFAOYSA-N	0	0	535.645	3.037	50	0		KGAARN
COc1ccc(CCNC(=O)c2ccc(Cl)c(NC3=N[C@H]4CS(=O)(=O)C[C@@H]4S3)c2)cc1OC	ZINC000009591448	553283197	/nfs/dbraw/zinc/28/31/97/553283197.db2.gz	HBJCMRRJSNHUOJ-PXNSSMCTSA-N	0	0	510.037	3.010	50	0		KGAARN
COc1ccc(CCNC(=O)c2ccc(Cl)c(NC3=N[C@H]4CS(=O)(=O)C[C@H]4S3)c2)cc1OC	ZINC000009591451	553283276	/nfs/dbraw/zinc/28/32/76/553283276.db2.gz	HBJCMRRJSNHUOJ-FXAWDEMLSA-N	0	0	510.037	3.010	50	0		KGAARN
COc1ccc(CCNC(=O)CCC(=O)Nc2ccc3nc(N4CCOCC4)cc(C)c3c2)cc1OC	ZINC000009597559	553283985	/nfs/dbraw/zinc/28/39/85/553283985.db2.gz	KCIMWIWIUKTNNR-UHFFFAOYSA-N	0	0	506.603	3.475	50	0		KGAARN
O=C1c2ccccc2C(=O)N1C[C@@H]1c2ccccc2CCN1S(=O)(=O)c1ccc2c(c1)CCC(=O)N2	ZINC000009597722	553283930	/nfs/dbraw/zinc/28/39/30/553283930.db2.gz	NBMGXCQPOMTUPK-XMMPIXPASA-N	0	0	501.564	3.156	50	0		KGAARN
O=C1c2ccccc2C(=O)N1C[C@H]1c2ccccc2CCN1S(=O)(=O)c1ccc2c(c1)CCC(=O)N2	ZINC000009597723	553283956	/nfs/dbraw/zinc/28/39/56/553283956.db2.gz	NBMGXCQPOMTUPK-DEOSSOPVSA-N	0	0	501.564	3.156	50	0		KGAARN
COc1ccc([C@@H]2[NH2+][C@](Cc3ccccc3)(C(=O)[O-])[C@@H]3C(=O)N(c4ccccc4OC)C(=O)[C@@H]23)c(OC)c1	ZINC000009598090	553284184	/nfs/dbraw/zinc/28/41/84/553284184.db2.gz	DEUAGWIKHKNXBA-SGDZTBBFSA-N	0	0	516.550	3.229	50	0		KGAARN
COc1ccc([C@@H]2[NH2+][C@](Cc3ccccc3)(C(=O)[O-])[C@@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@@H]23)c(OC)c1	ZINC000009598098	553284174	/nfs/dbraw/zinc/28/41/74/553284174.db2.gz	KJKSCFDLJSDJAM-DELVEFKNSA-N	0	0	504.514	3.359	50	0		KGAARN
COc1ccc([C@@H]2[NH2+][C@](Cc3ccccc3)(C(=O)[O-])[C@@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@@H]23)cc1OC	ZINC000009598246	553284159	/nfs/dbraw/zinc/28/41/59/553284159.db2.gz	NBBGGRUKOQSQIY-DELVEFKNSA-N	0	0	504.514	3.359	50	0		KGAARN
COc1ccc(CCNC(=O)Cn2c3ccsc3c(=O)n(-c3ccc(F)c(Cl)c3)c2=O)cc1OC	ZINC000009598645	553284653	/nfs/dbraw/zinc/28/46/53/553284653.db2.gz	BNDCTYDZFOZBQP-UHFFFAOYSA-N	0	0	517.966	3.383	50	0		KGAARN
COc1ccc(NC(=O)CCCn2c(=O)c3sccc3n(CC(=O)Nc3cccc(OC)c3)c2=O)cc1	ZINC000009598676	553284615	/nfs/dbraw/zinc/28/46/15/553284615.db2.gz	WQNWGAWFZHWCJV-UHFFFAOYSA-N	0	0	522.583	3.300	50	0		KGAARN
Cc1ccc(CNC(=O)CCCn2c(=O)c3sccc3n(CC(=O)OCc3ccccc3)c2=O)cc1	ZINC000009598717	553284612	/nfs/dbraw/zinc/28/46/12/553284612.db2.gz	ZEJDJACTJHCHCX-UHFFFAOYSA-N	0	0	505.596	3.373	50	0		KGAARN
CC[C@@H]1CCCCN1C(=O)Cn1c2ccsc2c(=O)n(CCCC(=O)NCc2ccc(C)cc2)c1=O	ZINC000009598722	553284644	/nfs/dbraw/zinc/28/46/44/553284644.db2.gz	OMRMMAXAJPNRAC-OAQYLSRUSA-N	0	0	510.660	3.421	50	0		KGAARN
CC[C@H]1CCCCN1C(=O)Cn1c2ccsc2c(=O)n(CCCC(=O)NCc2ccc(C)cc2)c1=O	ZINC000009598723	553284667	/nfs/dbraw/zinc/28/46/67/553284667.db2.gz	OMRMMAXAJPNRAC-NRFANRHFSA-N	0	0	510.660	3.421	50	0		KGAARN
Cc1ccc(CNC(=O)CCCn2c(=O)c3sccc3n(CC(=O)N3C[C@H](C)C[C@H](C)C3)c2=O)cc1	ZINC000009598729	553284670	/nfs/dbraw/zinc/28/46/70/553284670.db2.gz	WTRZVWNBACECOG-BGYRXZFFSA-N	0	0	510.660	3.134	50	0		KGAARN
Cc1ccc(CNC(=O)CCCn2c(=O)c3sccc3n(CC(=O)N3C[C@@H](C)C[C@H](C)C3)c2=O)cc1	ZINC000009598730	553284687	/nfs/dbraw/zinc/28/46/87/553284687.db2.gz	WTRZVWNBACECOG-PMACEKPBSA-N	0	0	510.660	3.134	50	0		KGAARN
Cc1ccc(CNC(=O)CCCn2c(=O)c3sccc3n(CC(=O)N3C[C@H](C)C[C@@H](C)C3)c2=O)cc1	ZINC000009598731	553284655	/nfs/dbraw/zinc/28/46/55/553284655.db2.gz	WTRZVWNBACECOG-WOJBJXKFSA-N	0	0	510.660	3.134	50	0		KGAARN
Cc1ccc(CNC(=O)CCCn2c(=O)c3sccc3n(CC(=O)N(C)c3ccccc3)c2=O)cc1	ZINC000009598738	553284821	/nfs/dbraw/zinc/28/48/21/553284821.db2.gz	BZLARHOIKCYABP-UHFFFAOYSA-N	0	0	504.612	3.293	50	0		KGAARN
Cc1ccc(CNC(=O)CCCn2c(=O)c3sccc3n(CC(=O)N(C)C3CCCCC3)c2=O)cc1	ZINC000009598739	553284847	/nfs/dbraw/zinc/28/48/47/553284847.db2.gz	DGYSTOLCQYOVOH-UHFFFAOYSA-N	0	0	510.660	3.421	50	0		KGAARN
COc1ccc(CCNC(=O)Cn2c(=O)c3sccc3n(Cc3ccc(Cl)cc3)c2=O)cc1OC	ZINC000009598793	553284832	/nfs/dbraw/zinc/28/48/32/553284832.db2.gz	BWHYTWSGQKIGQQ-UHFFFAOYSA-N	0	0	514.003	3.303	50	0		KGAARN
COc1ccc(CCNC(=O)Cn2c(=O)c3sccc3n(Cc3cccc(Cl)c3)c2=O)cc1OC	ZINC000009598794	553284859	/nfs/dbraw/zinc/28/48/59/553284859.db2.gz	YNNUVIQYVLCGCD-UHFFFAOYSA-N	0	0	514.003	3.303	50	0		KGAARN
COc1ccc(CCNC(=O)Cn2c(=O)c3sccc3n(Cc3cc(C)ccc3C)c2=O)cc1OC	ZINC000009598799	553284837	/nfs/dbraw/zinc/28/48/37/553284837.db2.gz	CUCRWLXIMMZDGE-UHFFFAOYSA-N	0	0	507.612	3.266	50	0		KGAARN
O=C(Cn1c(=O)c2sccc2n(CC(=O)Nc2cccc(Cl)c2Cl)c1=O)NCc1ccco1	ZINC000009598851	553284917	/nfs/dbraw/zinc/28/49/17/553284917.db2.gz	MIHRJPIIEDPUOP-UHFFFAOYSA-N	0	0	507.355	3.080	50	0		KGAARN
O=C(Cn1c(=O)c2sccc2n(CC(=O)Nc2ccc(Cl)cc2Cl)c1=O)NCc1ccco1	ZINC000009598852	553284967	/nfs/dbraw/zinc/28/49/67/553284967.db2.gz	SSZFQAQWQVQCMZ-UHFFFAOYSA-N	0	0	507.355	3.080	50	0		KGAARN
O=C(Cn1c(=O)c2sccc2n(CC(=O)Nc2cc(Cl)ccc2Cl)c1=O)NCc1ccco1	ZINC000009598855	553284927	/nfs/dbraw/zinc/28/49/27/553284927.db2.gz	MDOIULQAEJFBMD-UHFFFAOYSA-N	0	0	507.355	3.080	50	0		KGAARN
CCOC(=O)c1ccc(NC(=O)Cn2c3ccsc3c(=O)n(-c3cc(OC)cc(OC)c3)c2=O)cc1	ZINC000009598868	553284907	/nfs/dbraw/zinc/28/49/07/553284907.db2.gz	MTECSIBLWUQCTD-UHFFFAOYSA-N	0	0	509.540	3.047	50	0		KGAARN
CCN(Cc1ccccc1)C(=O)Cn1c2ccsc2c(=O)n(CC(=O)NCc2ccccc2Cl)c1=O	ZINC000009598871	553284920	/nfs/dbraw/zinc/28/49/20/553284920.db2.gz	NQWHZGWJLAGVMM-UHFFFAOYSA-N	0	0	525.030	3.243	50	0		KGAARN
Cc1ccc(NC(=O)Cn2c3ccsc3c(=O)n(CC(=O)NCc3ccccc3Cl)c2=O)cc1C	ZINC000009598877	553284976	/nfs/dbraw/zinc/28/49/76/553284976.db2.gz	LTGDENULZCPBQM-UHFFFAOYSA-N	0	0	511.003	3.450	50	0		KGAARN
O=C(Cn1c2ccsc2c(=O)n(CC(=O)NCc2ccccc2Cl)c1=O)NCCC1=CCCCC1	ZINC000009598879	553284904	/nfs/dbraw/zinc/28/49/04/553284904.db2.gz	KSKXQKOKGKELSP-UHFFFAOYSA-N	0	0	515.035	3.201	50	0		KGAARN
CCc1ccccc1NC(=O)Cn1c2ccsc2c(=O)n(CC(=O)NCc2ccccc2Cl)c1=O	ZINC000009598880	553284924	/nfs/dbraw/zinc/28/49/24/553284924.db2.gz	QAJBIYBDRMQNNF-UHFFFAOYSA-N	0	0	511.003	3.396	50	0		KGAARN
O=C(Cc1ccc(-n2c(=O)c3sccc3n(CC(=O)Nc3ccccc3)c2=O)cc1)NCc1ccco1	ZINC000009598882	553284933	/nfs/dbraw/zinc/28/49/33/553284933.db2.gz	ZYRHZEKYNWLCNH-UHFFFAOYSA-N	0	0	514.563	3.305	50	0		KGAARN
CCc1cccc(NC(=O)Cn2c3ccsc3c(=O)n(CC(=O)NCc3ccccc3Cl)c2=O)c1	ZINC000009598889	553285204	/nfs/dbraw/zinc/28/52/04/553285204.db2.gz	WTBKLMCOVMLITB-UHFFFAOYSA-N	0	0	511.003	3.396	50	0		KGAARN
CCN(CC)C(=O)Cn1c2ccsc2c(=O)n(CCCCCC(=O)NCc2ccc(F)cc2)c1=O	ZINC000009598930	553285195	/nfs/dbraw/zinc/28/51/95/553285195.db2.gz	VLYSBGXNDUMSDX-UHFFFAOYSA-N	0	0	502.612	3.109	50	0		KGAARN
COc1ccc(CCNC(=O)Cn2c3sc(C)c(C)c3c(=O)n(Cc3ccccc3)c2=O)cc1OC	ZINC000009599037	553285279	/nfs/dbraw/zinc/28/52/79/553285279.db2.gz	HZPGJNALCDYGDV-UHFFFAOYSA-N	0	0	507.612	3.266	50	0		KGAARN
COc1ccc(CCNC(=O)Cn2c3sc(C)c(C)c3c(=O)n(CCc3ccccc3)c2=O)cc1OC	ZINC000009599047	553285324	/nfs/dbraw/zinc/28/53/24/553285324.db2.gz	ASROLUKDCWXOLC-UHFFFAOYSA-N	0	0	521.639	3.460	50	0		KGAARN
CCOC(=O)c1ccccc1NC(=O)Cn1c2sc(C)c(C)c2c(=O)n(-c2ccc3c(c2)OCO3)c1=O	ZINC000009599089	553285276	/nfs/dbraw/zinc/28/52/76/553285276.db2.gz	ZHXSINGISTWYIQ-UHFFFAOYSA-N	0	0	521.551	3.375	50	0		KGAARN
COc1ccc(CC(=O)Nc2nnc(SCC(=O)Nc3ccc(OC)c(OC)c3)s2)cc1OC	ZINC000009599898	553285909	/nfs/dbraw/zinc/28/59/09/553285909.db2.gz	WCYBUIZEJDNZLS-UHFFFAOYSA-N	0	0	504.590	3.485	50	0		KGAARN
O=C(CSc1nnc(NC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)s1)NC1CCCC1	ZINC000009600059	553285893	/nfs/dbraw/zinc/28/58/93/553285893.db2.gz	GVKYPKIEUHAWOS-UHFFFAOYSA-N	0	0	509.679	3.116	50	0		KGAARN
COc1cc(OC)cc(C(=O)Nc2nnc(SCC(=O)NCCc3ccc(OC)c(OC)c3)s2)c1	ZINC000009600116	553285895	/nfs/dbraw/zinc/28/58/95/553285895.db2.gz	OYZSXAYGQFVMIS-UHFFFAOYSA-N	0	0	518.617	3.276	50	0		KGAARN
CCOC(=O)c1sc(NC(=O)[C@H](CC)OC(=O)[C@@H](CCSC)NC(=O)c2ccccc2)nc1C	ZINC000009600836	553286250	/nfs/dbraw/zinc/28/62/50/553286250.db2.gz	QFOSXILVUVZEBR-SJORKVTESA-N	0	0	507.634	3.440	50	0		KGAARN
CCOC(=O)c1sc(NC(=O)[C@@H](CC)OC(=O)[C@@H](CCSC)NC(=O)c2ccccc2)nc1C	ZINC000009600837	553286255	/nfs/dbraw/zinc/28/62/55/553286255.db2.gz	QFOSXILVUVZEBR-IAGOWNOFSA-N	0	0	507.634	3.440	50	0		KGAARN
CCOC(=O)c1sc(NC(=O)[C@H](CC)OC(=O)[C@H](CCSC)NC(=O)c2ccccc2)nc1C	ZINC000009600838	553286193	/nfs/dbraw/zinc/28/61/93/553286193.db2.gz	QFOSXILVUVZEBR-IRXDYDNUSA-N	0	0	507.634	3.440	50	0		KGAARN
CCOC(=O)c1sc(NC(=O)[C@@H](CC)OC(=O)[C@H](CCSC)NC(=O)c2ccccc2)nc1C	ZINC000009600839	553286237	/nfs/dbraw/zinc/28/62/37/553286237.db2.gz	QFOSXILVUVZEBR-DLBZAZTESA-N	0	0	507.634	3.440	50	0		KGAARN
CCOCCCNC(=O)[C@@H](c1ccccc1)N(Cc1ccc2c(c1)OCO2)C(=O)CNC(=O)c1ccccc1	ZINC000009601397	553286676	/nfs/dbraw/zinc/28/66/76/553286676.db2.gz	GICUDPZTALBPGT-MUUNZHRXSA-N	0	0	531.609	3.458	50	0		KGAARN
CCOCCCNC(=O)[C@H](c1ccccc1)N(Cc1ccc2c(c1)OCO2)C(=O)CNC(=O)c1ccccc1	ZINC000009601398	553286631	/nfs/dbraw/zinc/28/66/31/553286631.db2.gz	GICUDPZTALBPGT-NDEPHWFRSA-N	0	0	531.609	3.458	50	0		KGAARN
COc1ccc(CCNC(=O)Cn2c3c4ccccc4oc3c(=O)n(-c3ccc(F)cc3)c2=O)cc1OC	ZINC000009603324	553287209	/nfs/dbraw/zinc/28/72/09/553287209.db2.gz	JTRVCQBOZQXHMC-UHFFFAOYSA-N	0	0	517.513	3.414	50	0		KGAARN
COc1ccc(CCNC(=O)C2CCC(CNS(=O)(=O)c3cccc4nsnc43)CC2)cc1OC	ZINC000009607892	553287517	/nfs/dbraw/zinc/28/75/17/553287517.db2.gz	MAESEKHYGKOLNS-UHFFFAOYSA-N	0	0	518.661	3.152	50	0		KGAARN
O=C(C1CCC(CNS(=O)(=O)c2cccc3nsnc32)CC1)N1CCN(c2ccc(F)cc2)CC1	ZINC000009608097	553287501	/nfs/dbraw/zinc/28/75/01/553287501.db2.gz	YTRHFLAYSKQNTG-UHFFFAOYSA-N	0	0	517.652	3.264	50	0		KGAARN
CCN(CCNC(=O)C1CCC(CNS(=O)(=O)c2cccc3nsnc32)CC1)c1ccccc1	ZINC000009608352	553287504	/nfs/dbraw/zinc/28/75/04/553287504.db2.gz	KEHKWWGVCVGXGB-UHFFFAOYSA-N	0	0	501.678	3.419	50	0		KGAARN
CN(CCCNC(=O)C1CCC(CNS(=O)(=O)c2cccc3nsnc32)CC1)c1ccccc1	ZINC000009608365	553287491	/nfs/dbraw/zinc/28/74/91/553287491.db2.gz	XYXLQOYBUWBBON-UHFFFAOYSA-N	0	0	501.678	3.419	50	0		KGAARN
COc1ccc2nc(NC(=O)[C@H](CC(C)C)NS(=O)(=O)c3ccc4c(c3)oc(=O)n4C)sc2c1	ZINC000009610479	553288750	/nfs/dbraw/zinc/28/87/50/553288750.db2.gz	ZZPONPDBOYJTDV-INIZCTEOSA-N	0	0	504.590	3.082	50	0		KGAARN
COc1ccc2nc(NC(=O)[C@@H](CC(C)C)NS(=O)(=O)c3ccc4c(c3)oc(=O)n4C)sc2c1	ZINC000009610480	553288745	/nfs/dbraw/zinc/28/87/45/553288745.db2.gz	ZZPONPDBOYJTDV-MRXNPFEDSA-N	0	0	504.590	3.082	50	0		KGAARN
CCOC(=O)c1cccc(NC(=O)[C@H](NS(=O)(=O)c2ccc3c(c2)CCC(=O)N3)c2ccccc2)c1	ZINC000009610556	553288711	/nfs/dbraw/zinc/28/87/11/553288711.db2.gz	VTJZCWGRLGWDGG-XMMPIXPASA-N	0	0	507.568	3.406	50	0		KGAARN
CCOC(=O)c1cccc(NC(=O)[C@@H](NS(=O)(=O)c2ccc3c(c2)CCC(=O)N3)c2ccccc2)c1	ZINC000009610557	553288761	/nfs/dbraw/zinc/28/87/61/553288761.db2.gz	VTJZCWGRLGWDGG-DEOSSOPVSA-N	0	0	507.568	3.406	50	0		KGAARN
CCOC(=O)c1ccc(NC(=O)[C@H](NS(=O)(=O)c2ccc3c(c2)CCC(=O)N3)c2ccccc2)cc1	ZINC000009610580	553288671	/nfs/dbraw/zinc/28/86/71/553288671.db2.gz	QTSFSVIEEFMTRD-XMMPIXPASA-N	0	0	507.568	3.406	50	0		KGAARN
CCOC(=O)c1ccc(NC(=O)[C@@H](NS(=O)(=O)c2ccc3c(c2)CCC(=O)N3)c2ccccc2)cc1	ZINC000009610581	553288731	/nfs/dbraw/zinc/28/87/31/553288731.db2.gz	QTSFSVIEEFMTRD-DEOSSOPVSA-N	0	0	507.568	3.406	50	0		KGAARN
O=C([C@@H](NS(=O)(=O)c1ccc2c(c1)CCC(=O)N2)c1ccccc1)N1CCN(c2ccc(F)cc2)CC1	ZINC000009610606	553288747	/nfs/dbraw/zinc/28/87/47/553288747.db2.gz	RJOSMUSDXBJHST-SANMLTNESA-N	0	0	522.602	3.079	50	0		KGAARN
O=C([C@H](NS(=O)(=O)c1ccc2c(c1)CCC(=O)N2)c1ccccc1)N1CCN(c2ccc(F)cc2)CC1	ZINC000009610607	553288726	/nfs/dbraw/zinc/28/87/26/553288726.db2.gz	RJOSMUSDXBJHST-AREMUKBSSA-N	0	0	522.602	3.079	50	0		KGAARN
COc1ccc(N(C)C(=O)[C@H](NS(=O)(=O)c2ccc3c(c2)CCC(=O)N3)c2ccccc2)c(OC)c1	ZINC000009610654	553288820	/nfs/dbraw/zinc/28/88/20/553288820.db2.gz	VISWUDOGGNYLMH-RUZDIDTESA-N	0	0	509.584	3.271	50	0		KGAARN
COc1ccc(N(C)C(=O)[C@@H](NS(=O)(=O)c2ccc3c(c2)CCC(=O)N3)c2ccccc2)c(OC)c1	ZINC000009610655	553288865	/nfs/dbraw/zinc/28/88/65/553288865.db2.gz	VISWUDOGGNYLMH-VWLOTQADSA-N	0	0	509.584	3.271	50	0		KGAARN
CCN(CCNC(=O)[C@H](NS(=O)(=O)c1ccc2c(c1)CCC(=O)N2)c1ccccc1)c1ccccc1	ZINC000009610656	553288860	/nfs/dbraw/zinc/28/88/60/553288860.db2.gz	BWOAABFDJISMGX-AREMUKBSSA-N	0	0	506.628	3.234	50	0		KGAARN
CCN(CCNC(=O)[C@@H](NS(=O)(=O)c1ccc2c(c1)CCC(=O)N2)c1ccccc1)c1ccccc1	ZINC000009610657	553288895	/nfs/dbraw/zinc/28/88/95/553288895.db2.gz	BWOAABFDJISMGX-SANMLTNESA-N	0	0	506.628	3.234	50	0		KGAARN
COc1ccc(-c2cc(C(=O)N3CCN(S(=O)(=O)c4ccc(Br)s4)CC3)[nH]n2)cc1	ZINC000009610953	553288842	/nfs/dbraw/zinc/28/88/42/553288842.db2.gz	QJSQSMKHVWRKLJ-UHFFFAOYSA-N	0	0	511.423	3.056	50	0		KGAARN
COc1cccc(-c2cc(C(=O)N3CCN(S(=O)(=O)c4ccc(Br)s4)CC3)[nH]n2)c1	ZINC000009610977	553288873	/nfs/dbraw/zinc/28/88/73/553288873.db2.gz	WMUDLLZGWFTBHJ-UHFFFAOYSA-N	0	0	511.423	3.056	50	0		KGAARN
COc1ccc(NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccc3c(c2)CCC(=O)N3)cc1OC	ZINC000009611313	553288889	/nfs/dbraw/zinc/28/88/89/553288889.db2.gz	DVPXWIMRROYMDQ-JOCHJYFZSA-N	0	0	509.584	3.117	50	0		KGAARN
COc1ccc(NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccc3c(c2)CCC(=O)N3)cc1OC	ZINC000009611314	553288806	/nfs/dbraw/zinc/28/88/06/553288806.db2.gz	DVPXWIMRROYMDQ-QFIPXVFZSA-N	0	0	509.584	3.117	50	0		KGAARN
O=C(NCCc1ccc(Cl)cc1)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc2c(c1)CCC(=O)N2	ZINC000009611336	553289083	/nfs/dbraw/zinc/28/90/83/553289083.db2.gz	PERBRGGJIYCNND-DEOSSOPVSA-N	0	0	512.031	3.473	50	0		KGAARN
O=C(NCCc1ccc(Cl)cc1)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc2c(c1)CCC(=O)N2	ZINC000009611337	553289074	/nfs/dbraw/zinc/28/90/74/553289074.db2.gz	PERBRGGJIYCNND-XMMPIXPASA-N	0	0	512.031	3.473	50	0		KGAARN
COc1cc(NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccc3c(c2)CCC(=O)N3)cc(OC)c1	ZINC000009611342	553289069	/nfs/dbraw/zinc/28/90/69/553289069.db2.gz	JSEBRIMYHMMLFT-XMMPIXPASA-N	0	0	509.584	3.117	50	0		KGAARN
COc1cc(NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccc3c(c2)CCC(=O)N3)cc(OC)c1	ZINC000009611343	553289073	/nfs/dbraw/zinc/28/90/73/553289073.db2.gz	JSEBRIMYHMMLFT-DEOSSOPVSA-N	0	0	509.584	3.117	50	0		KGAARN
CCOC(=O)c1cccc(NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccc3c(c2)CCC(=O)N3)c1	ZINC000009611348	553289071	/nfs/dbraw/zinc/28/90/71/553289071.db2.gz	HVRGFNDRHJOPPJ-XMMPIXPASA-N	0	0	521.595	3.276	50	0		KGAARN
CCOC(=O)c1cccc(NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccc3c(c2)CCC(=O)N3)c1	ZINC000009611349	553289066	/nfs/dbraw/zinc/28/90/66/553289066.db2.gz	HVRGFNDRHJOPPJ-DEOSSOPVSA-N	0	0	521.595	3.276	50	0		KGAARN
CCN(CCNC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc2c(c1)CCC(=O)N2)c1ccccc1	ZINC000009611492	553289268	/nfs/dbraw/zinc/28/92/68/553289268.db2.gz	DCSHFDDISNIEJZ-AREMUKBSSA-N	0	0	520.655	3.104	50	0		KGAARN
CCN(CCNC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc2c(c1)CCC(=O)N2)c1ccccc1	ZINC000009611493	553289180	/nfs/dbraw/zinc/28/91/80/553289180.db2.gz	DCSHFDDISNIEJZ-SANMLTNESA-N	0	0	520.655	3.104	50	0		KGAARN
CN(CCCNC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc2c(c1)CCC(=O)N2)c1ccccc1	ZINC000009611627	553289202	/nfs/dbraw/zinc/28/92/02/553289202.db2.gz	RKSWQXGRNDCOOM-AREMUKBSSA-N	0	0	520.655	3.104	50	0		KGAARN
CN(CCCNC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc2c(c1)CCC(=O)N2)c1ccccc1	ZINC000009611628	553289407	/nfs/dbraw/zinc/28/94/07/553289407.db2.gz	RKSWQXGRNDCOOM-SANMLTNESA-N	0	0	520.655	3.104	50	0		KGAARN
COc1ccc(OC)c(CNC(=O)OCc2nccnc2C(=O)Nc2ccc(Br)cn2)c1	ZINC000009612110	553289402	/nfs/dbraw/zinc/28/94/02/553289402.db2.gz	JIFGTHGICMNGJX-UHFFFAOYSA-N	0	0	502.325	3.330	50	0		KGAARN
COc1cccc(N2CCN(C(=O)[C@@H](NS(=O)(=O)c3ccc4nc(C)sc4c3)C(C)C)CC2)c1	ZINC000009612370	553289820	/nfs/dbraw/zinc/28/98/20/553289820.db2.gz	DHDHZFQJQUVAOL-QHCPKHFHSA-N	0	0	502.662	3.265	50	0		KGAARN
COc1cccc(N2CCN(C(=O)[C@H](NS(=O)(=O)c3ccc4nc(C)sc4c3)C(C)C)CC2)c1	ZINC000009612371	553289836	/nfs/dbraw/zinc/28/98/36/553289836.db2.gz	DHDHZFQJQUVAOL-HSZRJFAPSA-N	0	0	502.662	3.265	50	0		KGAARN
CC(=O)c1ccc(N2CCN(C(=O)[C@@H](NS(=O)(=O)c3ccc4nc(C)sc4c3)C(C)C)CC2)cc1	ZINC000009612374	553289811	/nfs/dbraw/zinc/28/98/11/553289811.db2.gz	NLPZEWYCSIRVOK-DEOSSOPVSA-N	0	0	514.673	3.459	50	0		KGAARN
CC(=O)c1ccc(N2CCN(C(=O)[C@H](NS(=O)(=O)c3ccc4nc(C)sc4c3)C(C)C)CC2)cc1	ZINC000009612375	553289849	/nfs/dbraw/zinc/28/98/49/553289849.db2.gz	NLPZEWYCSIRVOK-XMMPIXPASA-N	0	0	514.673	3.459	50	0		KGAARN
O=C(CSc1nnc(COc2ccccc2)n1-c1ccccc1)Nc1cccc2c(=O)[nH][nH]c(=O)c12	ZINC000009614310	553289854	/nfs/dbraw/zinc/28/98/54/553289854.db2.gz	BMLLRACANJTBSQ-UHFFFAOYSA-N	0	0	500.540	3.107	50	0		KGAARN
COc1ccc(OC)c(S(=O)(=O)N2CCC[C@@H]2C(=O)Nc2ccc(C(=O)N3CCCCC3)cc2)c1	ZINC000009614340	553289841	/nfs/dbraw/zinc/28/98/41/553289841.db2.gz	UYSFDGPQBOKGSY-OAQYLSRUSA-N	0	0	501.605	3.122	50	0		KGAARN
COc1ccc(OC)c(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2ccc(C(=O)N3CCCCC3)cc2)c1	ZINC000009614341	553289861	/nfs/dbraw/zinc/28/98/61/553289861.db2.gz	UYSFDGPQBOKGSY-NRFANRHFSA-N	0	0	501.605	3.122	50	0		KGAARN
COc1ccc(-n2c(=O)c3c4c(sc3n(Cc3cc(=O)n5ccccc5n3)c2=O)CCCC4)c(OC)c1	ZINC000009615318	553290436	/nfs/dbraw/zinc/29/04/36/553290436.db2.gz	SQVOCRUVSMMJPZ-UHFFFAOYSA-N	0	0	516.579	3.166	50	0		KGAARN
COc1ccc(CCNC(=O)Cn2c3sc4c(c3c(=O)n(-c3ccccc3)c2=O)CCC4)cc1OC	ZINC000009615344	553290438	/nfs/dbraw/zinc/29/04/38/553290438.db2.gz	OCVYSIVDWILMBN-UHFFFAOYSA-N	0	0	505.596	3.079	50	0		KGAARN
COc1ccc(CCNC(=O)Cn2c3sc4c(c3c(=O)n(-c3ccccc3)c2=O)CCCC4)cc1OC	ZINC000009615610	553290432	/nfs/dbraw/zinc/29/04/32/553290432.db2.gz	TWXSJQVJLYLIKQ-UHFFFAOYSA-N	0	0	519.623	3.469	50	0		KGAARN
CCOc1ccc(NC(=O)Cn2c3ccccc3c(=O)n(-c3cc(OC)c(OC)c(OC)c3)c2=O)cc1	ZINC000009615980	553290691	/nfs/dbraw/zinc/29/06/91/553290691.db2.gz	ZFGJCAVLYZAJSO-UHFFFAOYSA-N	0	0	505.527	3.216	50	0		KGAARN
COc1cc(-n2c(=O)c3ccccc3n(CC(=O)NCc3ccccc3Cl)c2=O)cc(OC)c1OC	ZINC000009616050	553290656	/nfs/dbraw/zinc/29/06/56/553290656.db2.gz	PRDFBMMTMKJXOV-UHFFFAOYSA-N	0	0	509.946	3.148	50	0		KGAARN
COc1ccc(CCNC(=O)Cn2c(=O)n(Cc3cccs3)c(=O)c3ccc(Cl)cc32)cc1OC	ZINC000009616172	553290683	/nfs/dbraw/zinc/29/06/83/553290683.db2.gz	LFJOGZMRMHAFMU-UHFFFAOYSA-N	0	0	514.003	3.303	50	0		KGAARN
O=C(CCCn1c(=O)c2ccccc2n(CC(=O)NCCC2=CCCCC2)c1=O)NCc1ccc(F)cc1	ZINC000009616210	553290678	/nfs/dbraw/zinc/29/06/78/553290678.db2.gz	AAKBABXVTADSJM-UHFFFAOYSA-N	0	0	520.605	3.406	50	0		KGAARN
Cc1ccc(CNC(=O)Cn2c3ccccc3c(=O)n(CCCC(=O)NCc3ccc(F)cc3)c2=O)cc1	ZINC000009616224	553290636	/nfs/dbraw/zinc/29/06/36/553290636.db2.gz	AWSZECGPDOHXIU-UHFFFAOYSA-N	0	0	516.573	3.024	50	0		KGAARN
COc1ccc(CCNC(=O)Cn2c(=O)n(Cc3cccs3)c(=O)c3cc(Cl)ccc32)cc1OC	ZINC000009616256	553290665	/nfs/dbraw/zinc/29/06/65/553290665.db2.gz	MZORRRQLAFNEKI-UHFFFAOYSA-N	0	0	514.003	3.303	50	0		KGAARN
COc1ccc(CCNC(=O)Cn2c3ccc(Cl)cc3c(=O)n(Cc3ccccc3)c2=O)cc1OC	ZINC000009616302	553290621	/nfs/dbraw/zinc/29/06/21/553290621.db2.gz	GLCTUCFAXVZESD-UHFFFAOYSA-N	0	0	507.974	3.241	50	0		KGAARN
CCOc1ccc(NC(=O)Cn2c3ccccc3c(=O)n(CCCCC(=O)NCc3ccco3)c2=O)cc1	ZINC000009616385	553290844	/nfs/dbraw/zinc/29/08/44/553290844.db2.gz	XLRHJAPEOMPJJL-UHFFFAOYSA-N	0	0	518.570	3.280	50	0		KGAARN
CCc1ccc(NC(=O)Cn2c3ccccc3c(=O)n(CCCCC(=O)NCc3ccco3)c2=O)cc1	ZINC000009616392	553290791	/nfs/dbraw/zinc/29/07/91/553290791.db2.gz	RDQAAJWASAJPDK-UHFFFAOYSA-N	0	0	502.571	3.444	50	0		KGAARN
CCOc1ccccc1NC(=O)Cn1c2ccccc2c(=O)n(CCCCC(=O)NCc2ccco2)c1=O	ZINC000009616397	553290800	/nfs/dbraw/zinc/29/08/00/553290800.db2.gz	SNXLANKWJIIOAF-UHFFFAOYSA-N	0	0	518.570	3.280	50	0		KGAARN
COc1ccccc1CNC(=O)CCCn1c(=O)c2ccccc2n(CC(=O)Nc2ccc(C)cc2)c1=O	ZINC000009616418	553290805	/nfs/dbraw/zinc/29/08/05/553290805.db2.gz	TTWRPCNVZFYMKS-UHFFFAOYSA-N	0	0	514.582	3.216	50	0		KGAARN
COc1ccccc1CNC(=O)CCCn1c(=O)c2ccccc2n(CC(=O)Nc2ccccc2C)c1=O	ZINC000009616437	553290830	/nfs/dbraw/zinc/29/08/30/553290830.db2.gz	UJUCWZJKODLXLT-UHFFFAOYSA-N	0	0	514.582	3.216	50	0		KGAARN
COc1ccccc1CNC(=O)CCCn1c(=O)c2ccccc2n(CC(=O)Nc2cccc(C)c2)c1=O	ZINC000009616441	553290820	/nfs/dbraw/zinc/29/08/20/553290820.db2.gz	UZACARKYYYHBTQ-UHFFFAOYSA-N	0	0	514.582	3.216	50	0		KGAARN
COc1ccccc1CNC(=O)CCCn1c(=O)c2ccccc2n(CC(=O)Nc2ccccc2F)c1=O	ZINC000009616447	553290838	/nfs/dbraw/zinc/29/08/38/553290838.db2.gz	TYGJGLYAXNNJID-UHFFFAOYSA-N	0	0	518.545	3.046	50	0		KGAARN
C[C@@H]1C[C@H](C)CN(C(=O)Cn2c3ccccc3c(=O)n(CCCC(=O)N3CCc4ccccc4C3)c2=O)C1	ZINC000009616509	553290823	/nfs/dbraw/zinc/29/08/23/553290823.db2.gz	YJUKCEACMWFWRT-SZPZYZBQSA-N	0	0	516.642	3.033	50	0		KGAARN
C[C@H]1C[C@H](C)CN(C(=O)Cn2c3ccccc3c(=O)n(CCCC(=O)N3CCc4ccccc4C3)c2=O)C1	ZINC000009616513	553290797	/nfs/dbraw/zinc/29/07/97/553290797.db2.gz	YJUKCEACMWFWRT-VXKWHMMOSA-N	0	0	516.642	3.033	50	0		KGAARN
C[C@@H]1C[C@@H](C)CN(C(=O)Cn2c3ccccc3c(=O)n(CCCC(=O)N3CCc4ccccc4C3)c2=O)C1	ZINC000009616515	553290817	/nfs/dbraw/zinc/29/08/17/553290817.db2.gz	YJUKCEACMWFWRT-FGZHOGPDSA-N	0	0	516.642	3.033	50	0		KGAARN
COc1ccc(Cl)cc1NC(=O)Cn1c(=O)n(CCCC(=O)NCc2ccco2)c(=O)c2ccccc21	ZINC000009616572	553290984	/nfs/dbraw/zinc/29/09/84/553290984.db2.gz	ROOMGCVEQWASIN-UHFFFAOYSA-N	0	0	524.961	3.154	50	0		KGAARN
Cc1cc(C)c(NC(=O)Cn2c3ccccc3c(=O)n(CCCC(=O)NCc3ccco3)c2=O)c(C)c1	ZINC000009616577	553290981	/nfs/dbraw/zinc/29/09/81/553290981.db2.gz	PIGXIFHWFKEELX-UHFFFAOYSA-N	0	0	502.571	3.417	50	0		KGAARN
Cc1ccc(Cl)cc1NC(=O)Cn1c(=O)n(CCCC(=O)NCc2ccco2)c(=O)c2ccccc21	ZINC000009616581	553291014	/nfs/dbraw/zinc/29/10/14/553291014.db2.gz	SPZMLTKMXFVFDV-UHFFFAOYSA-N	0	0	508.962	3.453	50	0		KGAARN
Cc1ccc(NC(=O)Cn2c(=O)n(CCCC(=O)NCc3ccco3)c(=O)c3ccccc32)c(Cl)c1	ZINC000009616591	553291029	/nfs/dbraw/zinc/29/10/29/553291029.db2.gz	UTMBIZHBBAFSDX-UHFFFAOYSA-N	0	0	508.962	3.453	50	0		KGAARN
CN(C(=O)Cn1c2ccccc2c(=O)n(CCCC(=O)N2CCc3ccccc3C2)c1=O)C1CCCCC1	ZINC000009616611	553290995	/nfs/dbraw/zinc/29/09/95/553290995.db2.gz	HKTLAAXEEZVKNB-UHFFFAOYSA-N	0	0	516.642	3.319	50	0		KGAARN
C[C@@H]1C[C@H](C)CN(C(=O)Cn2c3ccccc3c(=O)n(Cc3ccc(C(=O)NCc4ccco4)cc3)c2=O)C1	ZINC000009616670	553291032	/nfs/dbraw/zinc/29/10/32/553291032.db2.gz	DOZTVVQVGCIJEA-OYRHEFFESA-N	0	0	528.609	3.239	50	0		KGAARN
C[C@H]1C[C@H](C)CN(C(=O)Cn2c3ccccc3c(=O)n(Cc3ccc(C(=O)NCc4ccco4)cc3)c2=O)C1	ZINC000009616676	553291007	/nfs/dbraw/zinc/29/10/07/553291007.db2.gz	DOZTVVQVGCIJEA-SFTDATJTSA-N	0	0	528.609	3.239	50	0		KGAARN
C[C@@H]1C[C@@H](C)CN(C(=O)Cn2c3ccccc3c(=O)n(Cc3ccc(C(=O)NCc4ccco4)cc3)c2=O)C1	ZINC000009616682	553290944	/nfs/dbraw/zinc/29/09/44/553290944.db2.gz	DOZTVVQVGCIJEA-NHCUHLMSSA-N	0	0	528.609	3.239	50	0		KGAARN
O=C(CCCCn1c(=O)c2ccccc2n(CC(=O)NCCC2=CCCCC2)c1=O)NCc1ccco1	ZINC000009616714	553290940	/nfs/dbraw/zinc/29/09/40/553290940.db2.gz	DBYWVEJSHGXJOT-UHFFFAOYSA-N	0	0	506.603	3.250	50	0		KGAARN
CCCN(CCC)C(=O)Cn1c2ccccc2c(=O)n(Cc2ccc(C(=O)NCc3ccco3)cc2)c1=O	ZINC000009616775	553291044	/nfs/dbraw/zinc/29/10/44/553291044.db2.gz	BDFBSCRACBZBRO-UHFFFAOYSA-N	0	0	516.598	3.383	50	0		KGAARN
O=C(CCCn1c(=O)c2ccccc2n(CC(=O)NC2CCCC2)c1=O)NCCc1ccc(Cl)cc1	ZINC000009616782	553290991	/nfs/dbraw/zinc/29/09/91/553290991.db2.gz	KRQNOFLQWUWNOL-UHFFFAOYSA-N	0	0	511.022	3.015	50	0		KGAARN
O=C(Cn1c(=O)n(Cc2ccc3c(c2)OCO3)c(=O)c2ccccc21)Nc1ccc(Br)cc1	ZINC000009616994	553291126	/nfs/dbraw/zinc/29/11/26/553291126.db2.gz	ABHGNJAIBDLNQC-UHFFFAOYSA-N	0	0	508.328	3.341	50	0		KGAARN
COc1cccc(C(=O)Cn2c(=O)n(CCCC(=O)NCc3ccco3)c(=O)c3ccc(Cl)cc32)c1	ZINC000009617046	553291154	/nfs/dbraw/zinc/29/11/54/553291154.db2.gz	ATPATIVCARPCNM-UHFFFAOYSA-N	0	0	509.946	3.398	50	0		KGAARN
O=C(CCCCn1c(=O)c2ccccc2n(CC(=O)NCc2ccco2)c1=O)NCc1ccccc1Cl	ZINC000009617070	553291169	/nfs/dbraw/zinc/29/11/69/553291169.db2.gz	RQZVKLMDFBOFJP-UHFFFAOYSA-N	0	0	522.989	3.213	50	0		KGAARN
O=C(CCCCn1c(=O)c2ccccc2n(CC(=O)NC2CCCC2)c1=O)NCc1ccccc1Cl	ZINC000009617077	553291155	/nfs/dbraw/zinc/29/11/55/553291155.db2.gz	YEPIUYIAWZFSRD-UHFFFAOYSA-N	0	0	511.022	3.362	50	0		KGAARN
O=C(CCCCn1c(=O)c2ccccc2n(CC(=O)NC2CCCCC2)c1=O)NCCc1ccccc1	ZINC000009617113	553291144	/nfs/dbraw/zinc/29/11/44/553291144.db2.gz	IMFUZGGUUCUZBL-UHFFFAOYSA-N	0	0	504.631	3.141	50	0		KGAARN
CCCN(CCC)C(=O)Cn1c2ccccc2c(=O)n(CCCCC(=O)NCCc2ccccc2)c1=O	ZINC000009617128	553291141	/nfs/dbraw/zinc/29/11/41/553291141.db2.gz	GQJGQMKMTGHFTH-UHFFFAOYSA-N	0	0	506.647	3.341	50	0		KGAARN
COc1ccc(NC(=O)Cn2c3ccccc3c(=O)n(CCCCC(=O)NCCc3ccccc3)c2=O)cc1	ZINC000009617136	553291135	/nfs/dbraw/zinc/29/11/35/553291135.db2.gz	RPWDQHHDRMLGOX-UHFFFAOYSA-N	0	0	528.609	3.340	50	0		KGAARN
O=C(CCCCn1c(=O)c2ccccc2n(CC(=O)Nc2ccc(F)cc2)c1=O)NCCc1ccccc1	ZINC000009617140	553291171	/nfs/dbraw/zinc/29/11/71/553291171.db2.gz	QRQXJCFWXIRNSS-UHFFFAOYSA-N	0	0	516.573	3.470	50	0		KGAARN
O=C(CCCn1c(=O)c2ccccc2n(CC(=O)NC2CCCCC2)c1=O)NCc1ccccc1Cl	ZINC000009617162	553291350	/nfs/dbraw/zinc/29/13/50/553291350.db2.gz	CZIWUVGUVHWFDQ-UHFFFAOYSA-N	0	0	511.022	3.362	50	0		KGAARN
Cc1ccc(NC(=O)Cn2c3ccccc3c(=O)n(CCCCC(=O)NCc3ccco3)c2=O)c(C)c1	ZINC000009617210	553291396	/nfs/dbraw/zinc/29/13/96/553291396.db2.gz	ZWZURUWUFDSWIU-UHFFFAOYSA-N	0	0	502.571	3.498	50	0		KGAARN
O=C(NC1CCCC1)C1CCC(Cn2c(=O)c3ccccc3n(Cc3cc(=O)n4ccccc4n3)c2=O)CC1	ZINC000009617239	553291405	/nfs/dbraw/zinc/29/14/05/553291405.db2.gz	KDNOTCZXAHFOCE-UHFFFAOYSA-N	0	0	527.625	3.085	50	0		KGAARN
C[C@@H]1CCCCN1C(=O)Cn1c2ccccc2c(=O)n(CC2CCC(C(=O)NC3CCCC3)CC2)c1=O	ZINC000009617248	553291406	/nfs/dbraw/zinc/29/14/06/553291406.db2.gz	QZKJMBCZHUPSHX-ITAUSPCMSA-N	0	0	508.663	3.429	50	0		KGAARN
C[C@H]1CCCCN1C(=O)Cn1c2ccccc2c(=O)n(CC2CCC(C(=O)NC3CCCC3)CC2)c1=O	ZINC000009617250	553291408	/nfs/dbraw/zinc/29/14/08/553291408.db2.gz	QZKJMBCZHUPSHX-HWELCPFYSA-N	0	0	508.663	3.429	50	0		KGAARN
COc1ccc(NC(=O)Cn2c3ccc(Cl)cc3c(=O)n(CCCC(=O)NC3CCCC3)c2=O)cc1	ZINC000009617253	553291362	/nfs/dbraw/zinc/29/13/62/553291362.db2.gz	BATIAUQAGPMNMK-UHFFFAOYSA-N	0	0	512.994	3.303	50	0		KGAARN
O=C(CCCn1c(=O)c2cc(Cl)ccc2n(CC(=O)Nc2ccc(F)cc2)c1=O)NC1CCCC1	ZINC000009617259	553291346	/nfs/dbraw/zinc/29/13/46/553291346.db2.gz	FLWJUIUYSSTGJZ-UHFFFAOYSA-N	0	0	500.958	3.433	50	0		KGAARN
COc1cccc(C(=O)Cn2c(=O)n(CCCC(=O)NCc3ccco3)c(=O)c3cc(Cl)ccc32)c1	ZINC000009617261	553291342	/nfs/dbraw/zinc/29/13/42/553291342.db2.gz	RMEROZISNVSUIV-UHFFFAOYSA-N	0	0	509.946	3.398	50	0		KGAARN
COc1cccc(NC(=O)Cn2c(=O)n(CCCC(=O)NCc3ccco3)c(=O)c3cc(Cl)ccc32)c1	ZINC000009617266	553291400	/nfs/dbraw/zinc/29/14/00/553291400.db2.gz	JCULXEZNHBWHPW-UHFFFAOYSA-N	0	0	524.961	3.154	50	0		KGAARN
COc1ccc(NC(=O)Cn2c(=O)n(CCCC(=O)NCc3ccco3)c(=O)c3cc(Cl)ccc32)cc1	ZINC000009617269	553291390	/nfs/dbraw/zinc/29/13/90/553291390.db2.gz	GCTKPQLBLTYZDU-UHFFFAOYSA-N	0	0	524.961	3.154	50	0		KGAARN
O=C(CCCn1c(=O)c2cc(Cl)ccc2n(CC(=O)Nc2cccc(F)c2)c1=O)NCc1ccco1	ZINC000009617272	553291469	/nfs/dbraw/zinc/29/14/69/553291469.db2.gz	WOQQBNWOOMIDSU-UHFFFAOYSA-N	0	0	512.925	3.284	50	0		KGAARN
O=C(CCCn1c(=O)c2cc(Cl)ccc2n(CC(=O)Nc2ccc(F)cc2)c1=O)NCc1ccco1	ZINC000009617274	553291472	/nfs/dbraw/zinc/29/14/72/553291472.db2.gz	FRKZLRIOZJYGEN-UHFFFAOYSA-N	0	0	512.925	3.284	50	0		KGAARN
O=C(CCCn1c(=O)c2cc(Cl)ccc2n(CC(=O)Nc2cccc(F)c2)c1=O)NC1CCCC1	ZINC000009617285	553291520	/nfs/dbraw/zinc/29/15/20/553291520.db2.gz	GCTRSVGJMUFBJH-UHFFFAOYSA-N	0	0	500.958	3.433	50	0		KGAARN
Cc1ccc(NC(=O)Cn2c3ccccc3c(=O)n(CCCCC(=O)NCc3ccco3)c2=O)cc1C	ZINC000009617333	553291477	/nfs/dbraw/zinc/29/14/77/553291477.db2.gz	KBCMVXNISWXGKC-UHFFFAOYSA-N	0	0	502.571	3.498	50	0		KGAARN
O=C(CCCCn1c(=O)c2ccccc2n(CC(=O)Nc2ccc(F)cc2F)c1=O)NCc1ccco1	ZINC000009617336	553291508	/nfs/dbraw/zinc/29/15/08/553291508.db2.gz	XPMYPKLIKHIXQQ-UHFFFAOYSA-N	0	0	510.497	3.160	50	0		KGAARN
O=C(Cn1c2ccccc2c(=O)n(CC2CCC(C(=O)NCc3ccccc3)CC2)c1=O)NCc1ccco1	ZINC000009617361	553291456	/nfs/dbraw/zinc/29/14/56/553291456.db2.gz	BCPXFYOJOGXCDM-UHFFFAOYSA-N	0	0	528.609	3.195	50	0		KGAARN
COc1cc2c(=O)n(Cc3ccco3)c(=O)n(CC(=O)Nc3ccc(Br)cc3)c2cc1OC	ZINC000009617381	553291487	/nfs/dbraw/zinc/29/14/87/553291487.db2.gz	OUTRCTPNXQMKLH-UHFFFAOYSA-N	0	0	514.332	3.223	50	0		KGAARN
COc1cc2c(cc1OC)n(CC(=O)Nc1cccc(Cl)c1Cl)c(=O)n(C[C@@H]1CCCO1)c2=O	ZINC000009617443	553291510	/nfs/dbraw/zinc/29/15/10/553291510.db2.gz	LJXVOQYFXICBRJ-ZDUSSCGKSA-N	0	0	508.358	3.305	50	0		KGAARN
COc1cc2c(cc1OC)n(CC(=O)Nc1cccc(Cl)c1Cl)c(=O)n(C[C@H]1CCCO1)c2=O	ZINC000009617446	553291481	/nfs/dbraw/zinc/29/14/81/553291481.db2.gz	LJXVOQYFXICBRJ-CYBMUJFWSA-N	0	0	508.358	3.305	50	0		KGAARN
COc1cc2c(cc1OC)n(CC(=O)Nc1cc(Cl)ccc1Cl)c(=O)n(C[C@@H]1CCCO1)c2=O	ZINC000009617454	553291498	/nfs/dbraw/zinc/29/14/98/553291498.db2.gz	OIFHUCNQIYVVSP-AWEZNQCLSA-N	0	0	508.358	3.305	50	0		KGAARN
COc1cc2c(cc1OC)n(CC(=O)Nc1cc(Cl)ccc1Cl)c(=O)n(C[C@H]1CCCO1)c2=O	ZINC000009617458	553291518	/nfs/dbraw/zinc/29/15/18/553291518.db2.gz	OIFHUCNQIYVVSP-CQSZACIVSA-N	0	0	508.358	3.305	50	0		KGAARN
COc1cc2c(cc1OC)n(CC(=O)c1ccc(Br)cc1)c(=O)n(C[C@@H]1CCCO1)c2=O	ZINC000009617461	553291475	/nfs/dbraw/zinc/29/14/75/553291475.db2.gz	WCRMQFJXHDIZMM-INIZCTEOSA-N	0	0	503.349	3.005	50	0		KGAARN
COc1cc2c(cc1OC)n(CC(=O)c1ccc(Br)cc1)c(=O)n(C[C@H]1CCCO1)c2=O	ZINC000009617464	553291757	/nfs/dbraw/zinc/29/17/57/553291757.db2.gz	WCRMQFJXHDIZMM-MRXNPFEDSA-N	0	0	503.349	3.005	50	0		KGAARN
COc1cc2c(cc1OC)n(CC(=O)c1cccc(Br)c1)c(=O)n(C[C@@H]1CCCO1)c2=O	ZINC000009617490	553291723	/nfs/dbraw/zinc/29/17/23/553291723.db2.gz	LHYLRUUMKCOSBZ-INIZCTEOSA-N	0	0	503.349	3.005	50	0		KGAARN
COc1cc2c(cc1OC)n(CC(=O)c1cccc(Br)c1)c(=O)n(C[C@H]1CCCO1)c2=O	ZINC000009617493	553291745	/nfs/dbraw/zinc/29/17/45/553291745.db2.gz	LHYLRUUMKCOSBZ-MRXNPFEDSA-N	0	0	503.349	3.005	50	0		KGAARN
Cc1ccc(CNC(=O)CCCn2c(=O)c3ccccc3n(CC(=O)N3C[C@H](C)C[C@H](C)C3)c2=O)cc1	ZINC000009617577	553291755	/nfs/dbraw/zinc/29/17/55/553291755.db2.gz	QGYYSOMBNABWQW-SZPZYZBQSA-N	0	0	504.631	3.073	50	0		KGAARN
Cc1ccc(CNC(=O)CCCn2c(=O)c3ccccc3n(CC(=O)N3C[C@@H](C)C[C@H](C)C3)c2=O)cc1	ZINC000009617580	553291760	/nfs/dbraw/zinc/29/17/60/553291760.db2.gz	QGYYSOMBNABWQW-VXKWHMMOSA-N	0	0	504.631	3.073	50	0		KGAARN
Cc1ccc(CNC(=O)CCCn2c(=O)c3ccccc3n(CC(=O)N3C[C@H](C)C[C@@H](C)C3)c2=O)cc1	ZINC000009617582	553291731	/nfs/dbraw/zinc/29/17/31/553291731.db2.gz	QGYYSOMBNABWQW-FGZHOGPDSA-N	0	0	504.631	3.073	50	0		KGAARN
Cc1ccc(CNC(=O)CCCn2c(=O)c3ccccc3n(CC(=O)N(C)C3CCCCC3)c2=O)cc1	ZINC000009617599	553291735	/nfs/dbraw/zinc/29/17/35/553291735.db2.gz	PDXKNRCFNJJBQO-UHFFFAOYSA-N	0	0	504.631	3.359	50	0		KGAARN
COc1ccc(NC(=O)Cn2c3ccccc3c(=O)n(CCCC(=O)NCc3ccc(C)cc3)c2=O)cc1	ZINC000009617603	553291713	/nfs/dbraw/zinc/29/17/13/553291713.db2.gz	PBMJUVWWFLZYBA-UHFFFAOYSA-N	0	0	514.582	3.216	50	0		KGAARN
Cc1ccc(CNC(=O)CCCn2c(=O)c3ccccc3n(CC(=O)Nc3ccc(F)cc3)c2=O)cc1	ZINC000009617605	553291727	/nfs/dbraw/zinc/29/17/27/553291727.db2.gz	WIUXHYXHLRVEAE-UHFFFAOYSA-N	0	0	502.546	3.346	50	0		KGAARN
COCCCNC(=O)c1ccc(Cn2c(=O)c3ccccc3n(CC(=O)Nc3ccc(C)c(C)c3)c2=O)cc1	ZINC000009617610	553291738	/nfs/dbraw/zinc/29/17/38/553291738.db2.gz	ISSGSBQFJPLNNA-UHFFFAOYSA-N	0	0	528.609	3.233	50	0		KGAARN
COc1cccc(NC(=O)Cn2c3ccccc3c(=O)n(CCCC(=O)NCc3ccc(C)cc3)c2=O)c1	ZINC000009617653	553291841	/nfs/dbraw/zinc/29/18/41/553291841.db2.gz	FVXOLXLIXXQZIX-UHFFFAOYSA-N	0	0	514.582	3.216	50	0		KGAARN
COc1ccc(NC(=O)Cn2c3ccccc3c(=O)n(CCc3ccc(OC)c(OC)c3)c2=O)c(OC)c1	ZINC000009617657	553291902	/nfs/dbraw/zinc/29/19/02/553291902.db2.gz	OOYHTDPZOUTJRA-UHFFFAOYSA-N	0	0	519.554	3.079	50	0		KGAARN
O=C(Cn1c(=O)c2ccccc2n(CC(=O)Nc2cc(Cl)cc(Cl)c2)c1=O)NCc1ccco1	ZINC000009617686	553291887	/nfs/dbraw/zinc/29/18/87/553291887.db2.gz	PBISGTPHNOUZSX-UHFFFAOYSA-N	0	0	501.326	3.018	50	0		KGAARN
CCS(=O)(=O)c1ccc(-c2cccc(NC(=O)c3ccc(S(=O)(=O)N4CCCCC4)cc3)c2)nn1	ZINC000009626941	553291907	/nfs/dbraw/zinc/29/19/07/553291907.db2.gz	SMPATKYQLUSYBD-UHFFFAOYSA-N	0	0	514.629	3.364	50	0		KGAARN
O=C(CCCn1c(=O)c2sc3ccccc3c2nc1SCC(=O)Nc1ccccc1F)NCCO	ZINC000009636693	553292499	/nfs/dbraw/zinc/29/24/99/553292499.db2.gz	PEBPJEGNSXLAEA-UHFFFAOYSA-N	0	0	514.604	3.370	50	0		KGAARN
O=C(CCCn1c(=O)c2sc3ccccc3c2nc1SCC(=O)Nc1ccc(F)cc1)NCCO	ZINC000009636696	553292485	/nfs/dbraw/zinc/29/24/85/553292485.db2.gz	DNWNQGRMYWWQQB-UHFFFAOYSA-N	0	0	514.604	3.370	50	0		KGAARN
COCCNC(=O)CCCn1c(=O)c2sc3ccccc3c2nc1SCC(=O)NCc1ccco1	ZINC000009636749	553292609	/nfs/dbraw/zinc/29/26/09/553292609.db2.gz	SRMNINYXXHWBSH-UHFFFAOYSA-N	0	0	514.629	3.156	50	0		KGAARN
CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2nc3ccc(S(N)(=O)=O)cc3s2)cc1	ZINC000009640108	553292905	/nfs/dbraw/zinc/29/29/05/553292905.db2.gz	VDLFDEXHSSGDSN-UHFFFAOYSA-N	0	0	516.626	3.411	50	0		KGAARN
CCN(Cc1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C(N)=O)CCN(C)C3)cc1	ZINC000009640152	553292896	/nfs/dbraw/zinc/29/28/96/553292896.db2.gz	NVEZAKDXTDLHAC-UHFFFAOYSA-N	0	0	512.657	3.298	50	0		KGAARN
O=C(NCCCN1CCN(c2ccccc2F)CC1)[C@H](Cc1ccccc1)NS(=O)(=O)c1cccs1	ZINC000009673337	553293894	/nfs/dbraw/zinc/29/38/94/553293894.db2.gz	SFPGUBFOHJZRNL-QHCPKHFHSA-N	0	0	530.691	3.105	50	0		KGAARN
O=C(NCCCN1CCN(c2ccccc2F)CC1)[C@@H](Cc1ccccc1)NS(=O)(=O)c1cccs1	ZINC000009673338	553293949	/nfs/dbraw/zinc/29/39/49/553293949.db2.gz	SFPGUBFOHJZRNL-HSZRJFAPSA-N	0	0	530.691	3.105	50	0		KGAARN
COc1ccccc1N1CCN(C(=O)CCCc2nnc3n2c2ccsc2c(=O)n3CC(C)C)CC1	ZINC000009673577	553294303	/nfs/dbraw/zinc/29/43/03/553294303.db2.gz	HXZAISFCOVIFCZ-UHFFFAOYSA-N	0	0	508.648	3.442	50	0		KGAARN
COC(=O)c1ccccc1NC(=O)Cn1c2c3cc(C)ccc3n(C)c2c(=O)n(Cc2ccccc2)c1=O	ZINC000009673632	553294544	/nfs/dbraw/zinc/29/45/44/553294544.db2.gz	LUHFNALCZIHRSF-UHFFFAOYSA-N	0	0	510.550	3.437	50	0		KGAARN
CCOc1ccc(NC(=O)CSc2nnc(CNC(=O)c3cc(OC)c(OC)c(OC)c3)o2)cc1	ZINC000009673843	553294495	/nfs/dbraw/zinc/29/44/95/553294495.db2.gz	RRPUFSFQDLRJIK-UHFFFAOYSA-N	0	0	502.549	3.155	50	0		KGAARN
COc1ccc(Cl)cc1NC(=O)CSc1nnc(CNC(=O)c2cc(OC)c(OC)c(OC)c2)o1	ZINC000009673860	553294504	/nfs/dbraw/zinc/29/45/04/553294504.db2.gz	WMDQCSTWMISLFY-UHFFFAOYSA-N	0	0	522.967	3.418	50	0		KGAARN
CCOc1ccccc1NC(=O)CSc1nnc(CNC(=O)c2cc(OC)c(OC)c(OC)c2)o1	ZINC000009673867	553294560	/nfs/dbraw/zinc/29/45/60/553294560.db2.gz	TXPJKYDGYVIQMB-UHFFFAOYSA-N	0	0	502.549	3.155	50	0		KGAARN
CCOC(=O)c1ccc(NC(=O)CSc2nnc(CNC(=O)COc3ccc(Cl)cc3)o2)cc1	ZINC000009673882	553294654	/nfs/dbraw/zinc/29/46/54/553294654.db2.gz	CPOGDISASLNFSN-UHFFFAOYSA-N	0	0	504.952	3.326	50	0		KGAARN
COc1ccc(CCNC(=O)CSc2nnc(CNC(=O)c3c(F)cccc3Cl)o2)cc1OC	ZINC000009673931	553294651	/nfs/dbraw/zinc/29/46/51/553294651.db2.gz	LQJXMSFLHDRYHP-UHFFFAOYSA-N	0	0	508.959	3.260	50	0		KGAARN
COc1cc2c(cc1OC)[C@@H](C(=O)N1CCN(C(=O)c3ccco3)CC1)[C@H]1c3ccccc3CCN1C2=O	ZINC000009676533	553295167	/nfs/dbraw/zinc/29/51/67/553295167.db2.gz	XUANZVDCTOTIGA-CLJLJLNGSA-N	0	0	515.566	3.118	50	0		KGAARN
COc1cc2c(cc1OC)[C@@H](C(=O)N1CCN(C(=O)c3ccco3)CC1)[C@@H]1c3ccccc3CCN1C2=O	ZINC000009676535	553295116	/nfs/dbraw/zinc/29/51/16/553295116.db2.gz	XUANZVDCTOTIGA-FTJBHMTQSA-N	0	0	515.566	3.118	50	0		KGAARN
COc1cc2c(cc1OC)[C@H](C(=O)N1CCN(C(=O)c3ccco3)CC1)[C@H]1c3ccccc3CCN1C2=O	ZINC000009676537	553295096	/nfs/dbraw/zinc/29/50/96/553295096.db2.gz	XUANZVDCTOTIGA-IZZNHLLZSA-N	0	0	515.566	3.118	50	0		KGAARN
COc1cc2c(cc1OC)[C@H](C(=O)N1CCN(C(=O)c3ccco3)CC1)[C@@H]1c3ccccc3CCN1C2=O	ZINC000009676539	553295103	/nfs/dbraw/zinc/29/51/03/553295103.db2.gz	XUANZVDCTOTIGA-UIOOFZCWSA-N	0	0	515.566	3.118	50	0		KGAARN
O=C(C1CCC1)N1CCc2cc(S(=O)(=O)NCCCN3CCN(c4ccccc4F)CC3)ccc21	ZINC000009676826	553295106	/nfs/dbraw/zinc/29/51/06/553295106.db2.gz	DCWVIXAKKPBQRA-UHFFFAOYSA-N	0	0	500.640	3.006	50	0		KGAARN
CCC(=O)N1c2ccc(S(=O)(=O)CCC(=O)N3CCN(c4ccc(C(C)=O)cc4)CC3)cc2C[C@@H]1C	ZINC000009677042	553295100	/nfs/dbraw/zinc/29/51/00/553295100.db2.gz	RMBZHBMDPSTRHO-IBGZPJMESA-N	0	0	511.644	3.089	50	0		KGAARN
CCC(=O)N1c2ccc(S(=O)(=O)CCC(=O)N3CCN(c4ccc(C(C)=O)cc4)CC3)cc2C[C@H]1C	ZINC000009677045	553295176	/nfs/dbraw/zinc/29/51/76/553295176.db2.gz	RMBZHBMDPSTRHO-LJQANCHMSA-N	0	0	511.644	3.089	50	0		KGAARN
CCC(=O)N1CCc2cc(S(=O)(=O)CCC(=O)N3CCN(c4cc(Cl)ccc4C)CC3)ccc21	ZINC000009677265	553295190	/nfs/dbraw/zinc/29/51/90/553295190.db2.gz	NQYYBXIVSNJDTH-UHFFFAOYSA-N	0	0	504.052	3.460	50	0		KGAARN
CCOc1ccc(CCNC(=O)CCS(=O)(=O)c2ccc3c(c2)CCN3C(=O)CC)cc1OCC	ZINC000009677347	553295369	/nfs/dbraw/zinc/29/53/69/553295369.db2.gz	USULBBHTEFILSC-UHFFFAOYSA-N	0	0	502.633	3.306	50	0		KGAARN
O=C(C1CCN(S(=O)(=O)c2cccc3nsnc32)CC1)N1CCN(c2cccc(Cl)c2)CC1	ZINC000009677393	553295355	/nfs/dbraw/zinc/29/53/55/553295355.db2.gz	IXHXWVHBVISCFM-UHFFFAOYSA-N	0	0	506.053	3.094	50	0		KGAARN
Cc1ccc(Cl)cc1N1CCN(C(=O)C2CCN(S(=O)(=O)c3cccc4nsnc43)CC2)CC1	ZINC000009677401	553295391	/nfs/dbraw/zinc/29/53/91/553295391.db2.gz	XCIUUWSKENRCED-UHFFFAOYSA-N	0	0	520.080	3.403	50	0		KGAARN
CCOc1ccc(CCNC(=O)C2CCN(S(=O)(=O)c3cccc4nsnc43)CC2)cc1OCC	ZINC000009677477	553295354	/nfs/dbraw/zinc/29/53/54/553295354.db2.gz	VCKRNBCJNDEFMA-UHFFFAOYSA-N	0	0	518.661	3.248	50	0		KGAARN
CCN(CCCNC(=O)C1CCN(S(=O)(=O)c2cccc3nsnc32)CC1)c1cccc(C)c1	ZINC000009677486	553295357	/nfs/dbraw/zinc/29/53/57/553295357.db2.gz	BXBDBXOLSKCLLA-UHFFFAOYSA-N	0	0	501.678	3.433	50	0		KGAARN
CCOc1ccc(CCNC(=O)c2nnn(CC(=O)Nc3ccc(C)cc3Cl)c2N)cc1OCC	ZINC000009678079	553295376	/nfs/dbraw/zinc/29/53/76/553295376.db2.gz	YQVVNIRLHPIZCQ-UHFFFAOYSA-N	0	0	500.987	3.231	50	0		KGAARN
CCOc1ccc(CCNC(=O)c2nnn(CC(=O)Nc3cccc(Cl)c3C)c2N)cc1OCC	ZINC000009678081	553295366	/nfs/dbraw/zinc/29/53/66/553295366.db2.gz	QMMPNQSEIRDASR-UHFFFAOYSA-N	0	0	500.987	3.231	50	0		KGAARN
Cc1c(NC(=O)C2CCN(S(=O)(=O)c3cccc4cccnc43)CC2)c(=O)n(-c2ccccc2)n1C	ZINC000009678318	553295384	/nfs/dbraw/zinc/29/53/84/553295384.db2.gz	RKHTVRVCDQGFTF-UHFFFAOYSA-N	0	0	505.600	3.072	50	0		KGAARN
COc1cc2nc(SCC(=O)Nc3cc(C)[nH]n3)n3nc(CCn4nc(C)cc4C)nc3c2cc1OC	ZINC000009679701	553296562	/nfs/dbraw/zinc/29/65/62/553296562.db2.gz	MVJQARPLQYUKSF-UHFFFAOYSA-N	0	0	521.607	3.113	50	0		KGAARN
O=C(C1CC1)N1CCc2cc(S(=O)(=O)NCCCN3CCN(c4cccc(Cl)c4)CC3)ccc21	ZINC000009680365	553296588	/nfs/dbraw/zinc/29/65/88/553296588.db2.gz	DIKQEOQECCWUBB-UHFFFAOYSA-N	0	0	503.068	3.130	50	0		KGAARN
O=C1c2ccccc2[C@H](Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)N1Cc1ccc2c(c1)OCO2	ZINC000009681131	553296805	/nfs/dbraw/zinc/29/68/05/553296805.db2.gz	BPBYBNLWGQBDBU-RUZDIDTESA-N	0	0	507.568	3.203	50	0		KGAARN
O=C1c2ccccc2[C@@H](Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)N1Cc1ccc2c(c1)OCO2	ZINC000009681133	553296753	/nfs/dbraw/zinc/29/67/53/553296753.db2.gz	BPBYBNLWGQBDBU-VWLOTQADSA-N	0	0	507.568	3.203	50	0		KGAARN
O=C([C@H]1CCCN(S(=O)(=O)c2cccc3nsnc32)C1)N1CCN(c2ccc(Cl)cc2)CC1	ZINC000009681556	553296771	/nfs/dbraw/zinc/29/67/71/553296771.db2.gz	LUJMTQPVHHSCOR-INIZCTEOSA-N	0	0	506.053	3.094	50	0		KGAARN
O=C([C@@H]1CCCN(S(=O)(=O)c2cccc3nsnc32)C1)N1CCN(c2ccc(Cl)cc2)CC1	ZINC000009681558	553296718	/nfs/dbraw/zinc/29/67/18/553296718.db2.gz	LUJMTQPVHHSCOR-MRXNPFEDSA-N	0	0	506.053	3.094	50	0		KGAARN
CC(=O)N1CCCc2cc(S(=O)(=O)CCC(=O)N3CCN(c4cc(Cl)ccc4C)CC3)ccc21	ZINC000009681586	553296963	/nfs/dbraw/zinc/29/69/63/553296963.db2.gz	FFSMKWJYLJCIOF-UHFFFAOYSA-N	0	0	504.052	3.460	50	0		KGAARN
COc1ccc(-n2nc(C(=O)N3CCN(C(=O)c4ccco4)CC3)c3c4ccccc4n(C)c3c2=O)cc1	ZINC000009681872	553296941	/nfs/dbraw/zinc/29/69/41/553296941.db2.gz	GTDCNYALEYFDIC-UHFFFAOYSA-N	0	0	511.538	3.077	50	0		KGAARN
CCOC(=O)N1CCC(NC(=O)c2nn(-c3ccc(OC)cc3)c(=O)c3c2c2ccccc2n3C)CC1	ZINC000009681890	553297129	/nfs/dbraw/zinc/29/71/29/553297129.db2.gz	PSCPETDJYZPFTE-UHFFFAOYSA-N	0	0	503.559	3.237	50	0		KGAARN
CCN(CCCNC(=O)[C@H](NS(=O)(=O)c1ccc2c(c1)CCN2C(C)=O)C(C)C)c1cccc(C)c1	ZINC000009682202	553297373	/nfs/dbraw/zinc/29/73/73/553297373.db2.gz	QGZKDBSKQPLWAT-AREMUKBSSA-N	0	0	514.692	3.240	50	0		KGAARN
CCN(CCCNC(=O)[C@@H](NS(=O)(=O)c1ccc2c(c1)CCN2C(C)=O)C(C)C)c1cccc(C)c1	ZINC000009682204	553297338	/nfs/dbraw/zinc/29/73/38/553297338.db2.gz	QGZKDBSKQPLWAT-SANMLTNESA-N	0	0	514.692	3.240	50	0		KGAARN
CC(C)CC(=O)Nc1ccc(S(=O)(=O)Nc2cc3c(cc2N2CCCCC2)n(C)c(=O)c(=O)n3C)cc1	ZINC000009686029	553297398	/nfs/dbraw/zinc/29/73/98/553297398.db2.gz	KPGILPHVGWOKFS-UHFFFAOYSA-N	0	0	527.647	3.013	50	0		KGAARN
CCC(=O)N1CCc2cc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)Nc3ccc(OC)c(OC)c3)ccc21	ZINC000009692164	553297591	/nfs/dbraw/zinc/29/75/91/553297591.db2.gz	LIPUMNSOBYSGEG-FQEVSTJZSA-N	0	0	503.621	3.335	50	0		KGAARN
CCC(=O)N1CCc2cc(S(=O)(=O)N[C@H](CC(C)C)C(=O)Nc3ccc(OC)c(OC)c3)ccc21	ZINC000009692165	553297593	/nfs/dbraw/zinc/29/75/93/553297593.db2.gz	LIPUMNSOBYSGEG-HXUWFJFHSA-N	0	0	503.621	3.335	50	0		KGAARN
CCC(=O)N1CCc2cc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)Nc3cc(OC)cc(OC)c3)ccc21	ZINC000009692182	553297602	/nfs/dbraw/zinc/29/76/02/553297602.db2.gz	CPIYYWCYHUOVHL-QFIPXVFZSA-N	0	0	503.621	3.335	50	0		KGAARN
CCC(=O)N1CCc2cc(S(=O)(=O)N[C@H](CC(C)C)C(=O)Nc3cc(OC)cc(OC)c3)ccc21	ZINC000009692183	553297604	/nfs/dbraw/zinc/29/76/04/553297604.db2.gz	CPIYYWCYHUOVHL-JOCHJYFZSA-N	0	0	503.621	3.335	50	0		KGAARN
CCC(=O)N1CCc2cc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)N3CCN(c4ccccc4)CC3)ccc21	ZINC000009692192	553297639	/nfs/dbraw/zinc/29/76/39/553297639.db2.gz	ULEYPHZKJZYBLU-DEOSSOPVSA-N	0	0	512.676	3.028	50	0		KGAARN
CCC(=O)N1CCc2cc(S(=O)(=O)N[C@H](CC(C)C)C(=O)N3CCN(c4ccccc4)CC3)ccc21	ZINC000009692193	553297651	/nfs/dbraw/zinc/29/76/51/553297651.db2.gz	ULEYPHZKJZYBLU-XMMPIXPASA-N	0	0	512.676	3.028	50	0		KGAARN
CCC(=O)N1CCc2cc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)Nc3cc(OC)ccc3OC)ccc21	ZINC000009692198	553297633	/nfs/dbraw/zinc/29/76/33/553297633.db2.gz	YQMVNOWWSQOZMP-NRFANRHFSA-N	0	0	503.621	3.335	50	0		KGAARN
CCC(=O)N1CCc2cc(S(=O)(=O)N[C@H](CC(C)C)C(=O)Nc3cc(OC)ccc3OC)ccc21	ZINC000009692199	553297626	/nfs/dbraw/zinc/29/76/26/553297626.db2.gz	YQMVNOWWSQOZMP-OAQYLSRUSA-N	0	0	503.621	3.335	50	0		KGAARN
CCC(=O)N1CCc2cc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)NCCN(CC)c3ccccc3)ccc21	ZINC000009692238	553297597	/nfs/dbraw/zinc/29/75/97/553297597.db2.gz	LHZCGKPIEIEVQH-DEOSSOPVSA-N	0	0	514.692	3.321	50	0		KGAARN
CCC(=O)N1CCc2cc(S(=O)(=O)N[C@H](CC(C)C)C(=O)NCCN(CC)c3ccccc3)ccc21	ZINC000009692239	553297805	/nfs/dbraw/zinc/29/78/05/553297805.db2.gz	LHZCGKPIEIEVQH-XMMPIXPASA-N	0	0	514.692	3.321	50	0		KGAARN
CCC(=O)N1CCc2cc(S(=O)(=O)N[C@@H](Cc3ccccc3)C(=O)N3CCc4ccccc43)ccc21	ZINC000009692254	553297789	/nfs/dbraw/zinc/29/77/89/553297789.db2.gz	LEIVYOAWFAOXHZ-DEOSSOPVSA-N	0	0	503.624	3.465	50	0		KGAARN
CCC(=O)N1CCc2cc(S(=O)(=O)N[C@H](Cc3ccccc3)C(=O)N3CCc4ccccc43)ccc21	ZINC000009692255	553297765	/nfs/dbraw/zinc/29/77/65/553297765.db2.gz	LEIVYOAWFAOXHZ-XMMPIXPASA-N	0	0	503.624	3.465	50	0		KGAARN
CCC(=O)N1CCc2cc(S(=O)(=O)N[C@@H](Cc3ccccc3)C(=O)NCc3ccc(OC)cc3)ccc21	ZINC000009692256	553297772	/nfs/dbraw/zinc/29/77/72/553297772.db2.gz	OYNQIVVQELKHON-VWLOTQADSA-N	0	0	521.639	3.200	50	0		KGAARN
CCC(=O)N1CCc2cc(S(=O)(=O)N[C@H](Cc3ccccc3)C(=O)NCc3ccc(OC)cc3)ccc21	ZINC000009692257	553297795	/nfs/dbraw/zinc/29/77/95/553297795.db2.gz	OYNQIVVQELKHON-RUZDIDTESA-N	0	0	521.639	3.200	50	0		KGAARN
CCC(=O)N1CCc2cc(S(=O)(=O)N[C@@H](Cc3ccccc3)C(=O)NCCc3ccccc3)ccc21	ZINC000009692268	553297778	/nfs/dbraw/zinc/29/77/78/553297778.db2.gz	YLNGZKRPSZWXAD-VWLOTQADSA-N	0	0	505.640	3.234	50	0		KGAARN
CCC(=O)N1CCc2cc(S(=O)(=O)N[C@H](Cc3ccccc3)C(=O)NCCc3ccccc3)ccc21	ZINC000009692269	553297784	/nfs/dbraw/zinc/29/77/84/553297784.db2.gz	YLNGZKRPSZWXAD-RUZDIDTESA-N	0	0	505.640	3.234	50	0		KGAARN
CCOC(=O)c1ccc(NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2cccc3nsnc32)cc1	ZINC000009692482	553297945	/nfs/dbraw/zinc/29/79/45/553297945.db2.gz	MRBYWESNCYXGEW-HXUWFJFHSA-N	0	0	510.597	3.396	50	0		KGAARN
CCOC(=O)c1ccc(NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2cccc3nsnc32)cc1	ZINC000009692483	553297868	/nfs/dbraw/zinc/29/78/68/553297868.db2.gz	MRBYWESNCYXGEW-FQEVSTJZSA-N	0	0	510.597	3.396	50	0		KGAARN
O=C([C@@H](NS(=O)(=O)c1cccc2nsnc21)c1ccccc1)N1CCN(c2ccccc2F)CC1	ZINC000009692574	553297963	/nfs/dbraw/zinc/29/79/63/553297963.db2.gz	MGKWIJLZJZUZFB-QFIPXVFZSA-N	0	0	511.604	3.199	50	0		KGAARN
O=C([C@H](NS(=O)(=O)c1cccc2nsnc21)c1ccccc1)N1CCN(c2ccccc2F)CC1	ZINC000009692575	553297937	/nfs/dbraw/zinc/29/79/37/553297937.db2.gz	MGKWIJLZJZUZFB-JOCHJYFZSA-N	0	0	511.604	3.199	50	0		KGAARN
CCN(CCNC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1cccc2nsnc21)c1ccccc1	ZINC000009692637	553298172	/nfs/dbraw/zinc/29/81/72/553298172.db2.gz	XYIKTSWUDLENMH-JOCHJYFZSA-N	0	0	509.657	3.224	50	0		KGAARN
CCN(CCNC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1cccc2nsnc21)c1ccccc1	ZINC000009692638	553298192	/nfs/dbraw/zinc/29/81/92/553298192.db2.gz	XYIKTSWUDLENMH-QFIPXVFZSA-N	0	0	509.657	3.224	50	0		KGAARN
CCCN(CCC)C(=O)Cn1c2cc(C(=O)NCc3ccco3)ccc2c(=O)n(-c2ccccc2)c1=O	ZINC000009692695	553298189	/nfs/dbraw/zinc/29/81/89/553298189.db2.gz	GVXRGTGAUBZQKL-UHFFFAOYSA-N	0	0	502.571	3.324	50	0		KGAARN
O=C(Cn1c(=O)n(-c2ccccc2)c(=O)c2ccc(C(=O)NCc3ccco3)cc21)Nc1cccc(F)c1	ZINC000009692699	553298154	/nfs/dbraw/zinc/29/81/54/553298154.db2.gz	GMNKIQDKTXZVMW-UHFFFAOYSA-N	0	0	512.497	3.453	50	0		KGAARN
CC[C@@H](C)NC(=O)Cn1c2cc(C(=O)NCc3ccc(C)cc3)ccc2c(=O)n(-c2ccc(OC)cc2)c1=O	ZINC000009692722	553298269	/nfs/dbraw/zinc/29/82/69/553298269.db2.gz	WROGQFSPAPCTDC-HXUWFJFHSA-N	0	0	528.609	3.314	50	0		KGAARN
CC[C@H](C)NC(=O)Cn1c2cc(C(=O)NCc3ccc(C)cc3)ccc2c(=O)n(-c2ccc(OC)cc2)c1=O	ZINC000009692723	553298298	/nfs/dbraw/zinc/29/82/98/553298298.db2.gz	WROGQFSPAPCTDC-FQEVSTJZSA-N	0	0	528.609	3.314	50	0		KGAARN
COc1ccc(NC(=O)Cn2c3cc(C(=O)NC4CCCC4)ccc3c(=O)n(Cc3ccco3)c2=O)cc1	ZINC000009692747	553298313	/nfs/dbraw/zinc/29/83/13/553298313.db2.gz	NEGNNSNGGAFIQJ-UHFFFAOYSA-N	0	0	516.554	3.124	50	0		KGAARN
COc1ccc(C(=O)Cn2c3cc(C(=O)NC4CCCC4)ccc3c(=O)n(Cc3ccco3)c2=O)cc1	ZINC000009692748	553298323	/nfs/dbraw/zinc/29/83/23/553298323.db2.gz	LKHLFXRTXAXYQM-UHFFFAOYSA-N	0	0	501.539	3.368	50	0		KGAARN
O=C([C@@H](NS(=O)(=O)c1cccc2nsnc21)c1ccccc1)N1CCN(c2ccc(F)cc2)CC1	ZINC000009693217	553298505	/nfs/dbraw/zinc/29/85/05/553298505.db2.gz	FECAFROUQBHCEK-QFIPXVFZSA-N	0	0	511.604	3.199	50	0		KGAARN
O=C([C@H](NS(=O)(=O)c1cccc2nsnc21)c1ccccc1)N1CCN(c2ccc(F)cc2)CC1	ZINC000009693218	553298531	/nfs/dbraw/zinc/29/85/31/553298531.db2.gz	FECAFROUQBHCEK-JOCHJYFZSA-N	0	0	511.604	3.199	50	0		KGAARN
COc1ccc(-n2nc(C(=O)NCCCN3CCCC3=O)c3c4ccccc4n(C)c3c2=O)cc1Cl	ZINC000009693699	553298893	/nfs/dbraw/zinc/29/88/93/553298893.db2.gz	QAIDSZNPEAOKLL-UHFFFAOYSA-N	0	0	507.978	3.282	50	0		KGAARN
Cc1noc(/C=C/c2ccco2)c1S(=O)(=O)N1CCC(C(=O)N2CCN(c3ccccc3)CC2)CC1	ZINC000009693790	553298886	/nfs/dbraw/zinc/29/88/86/553298886.db2.gz	ONFJAFVJMVUMOD-MDZDMXLPSA-N	0	0	510.616	3.496	50	0		KGAARN
COc1ccc(N(CC(=O)N2CCN(c3ccc(Cl)cc3)CC2)S(=O)(=O)c2c(C)n[nH]c2C)cc1	ZINC000009693797	553298882	/nfs/dbraw/zinc/29/88/82/553298882.db2.gz	GSGYPVYFSIZVBC-UHFFFAOYSA-N	0	0	518.039	3.233	50	0		KGAARN
COc1ccc(N(CC(=O)N2CCN(c3cccc(C)c3)[C@@H](C)C2)S(=O)(=O)c2c(C)n[nH]c2C)cc1	ZINC000009693798	553298884	/nfs/dbraw/zinc/29/88/84/553298884.db2.gz	ZHAXRPPAQJYIPO-IBGZPJMESA-N	0	0	511.648	3.276	50	0		KGAARN
COc1ccc(N(CC(=O)N2CCN(c3cccc(C)c3)[C@H](C)C2)S(=O)(=O)c2c(C)n[nH]c2C)cc1	ZINC000009693799	553298895	/nfs/dbraw/zinc/29/88/95/553298895.db2.gz	ZHAXRPPAQJYIPO-LJQANCHMSA-N	0	0	511.648	3.276	50	0		KGAARN
COc1ccc(N(CC(=O)N2CCN(c3ccc(Cl)cc3)CC2)S(=O)(=O)c2c(C)noc2C)cc1	ZINC000009693800	553298899	/nfs/dbraw/zinc/29/88/99/553298899.db2.gz	DBINNZBJMWVYDG-UHFFFAOYSA-N	0	0	519.023	3.498	50	0		KGAARN
CCOc1ccc(N(CC(=O)N2CCN(c3ccc(F)cc3)CC2)S(=O)(=O)c2c(C)noc2C)cc1	ZINC000009693802	553298891	/nfs/dbraw/zinc/29/88/91/553298891.db2.gz	KZTJLOWWWYBOIJ-UHFFFAOYSA-N	0	0	516.595	3.373	50	0		KGAARN
CCOc1ccc(N(CC(=O)N2CCN(c3ccccc3F)CC2)S(=O)(=O)c2c(C)noc2C)cc1	ZINC000009693803	553298888	/nfs/dbraw/zinc/29/88/88/553298888.db2.gz	OCWBIMYFTWZWRY-UHFFFAOYSA-N	0	0	516.595	3.373	50	0		KGAARN
COc1cccc(N2CCN(C(=O)CN(c3cc(C)cc(C)c3)S(=O)(=O)c3c(C)noc3C)CC2)c1	ZINC000009693808	553298871	/nfs/dbraw/zinc/29/88/71/553298871.db2.gz	NVIAWYHGYPKGKU-UHFFFAOYSA-N	0	0	512.632	3.461	50	0		KGAARN
CCN(CC)S(=O)(=O)c1ccc2c(c1)c(=O)c(C(=O)N1CCN(c3ccc(C)cc3)[C@H](C)C1)cn2C	ZINC000009693817	553299005	/nfs/dbraw/zinc/29/90/05/553299005.db2.gz	TWHUGWNMHNAFRJ-HXUWFJFHSA-N	0	0	510.660	3.228	50	0		KGAARN
CCN(CC)S(=O)(=O)c1ccc2c(c1)c(=O)c(C(=O)N1CCN(c3ccc(C)cc3)[C@@H](C)C1)cn2C	ZINC000009693818	553299037	/nfs/dbraw/zinc/29/90/37/553299037.db2.gz	TWHUGWNMHNAFRJ-FQEVSTJZSA-N	0	0	510.660	3.228	50	0		KGAARN
CCn1cc(C(=O)N2CCN(c3cc(Cl)ccc3C)CC2)c(=O)c2cc(S(=O)(=O)N(C)C)ccc21	ZINC000009693831	553299060	/nfs/dbraw/zinc/29/90/60/553299060.db2.gz	SUCHZBSLNCELKU-UHFFFAOYSA-N	0	0	517.051	3.196	50	0		KGAARN
CCn1cc(C(=O)N2CCN(c3ccccc3)CC2)c(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc21	ZINC000009693835	553299003	/nfs/dbraw/zinc/29/90/03/553299003.db2.gz	DGAYXNYXBFVDNZ-UHFFFAOYSA-N	0	0	508.644	3.158	50	0		KGAARN
CCn1cc(C(=O)N2CCN(c3ccc(F)cc3)CC2)c(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc21	ZINC000009693836	553299000	/nfs/dbraw/zinc/29/90/00/553299000.db2.gz	VMRRKVBNWSXUHI-UHFFFAOYSA-N	0	0	526.634	3.298	50	0		KGAARN
CCN1c2cc(C(=O)N3CCN(c4ccccc4OC)CC3)ccc2S(=O)(=O)c2ccccc2C1=O	ZINC000009694023	553299289	/nfs/dbraw/zinc/29/92/89/553299289.db2.gz	SLTQSURDXMYIEM-UHFFFAOYSA-N	0	0	505.596	3.471	50	0		KGAARN
Cc1ccc(Cl)cc1N1CCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2cccc3nsnc32)CC1	ZINC000009694099	553299491	/nfs/dbraw/zinc/29/94/91/553299491.db2.gz	MEGWCFITVQSXLM-SFHVURJKSA-N	0	0	506.053	3.155	50	0		KGAARN
Cc1ccc(Cl)cc1N1CCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2cccc3nsnc32)CC1	ZINC000009694100	553299420	/nfs/dbraw/zinc/29/94/20/553299420.db2.gz	MEGWCFITVQSXLM-GOSISDBHSA-N	0	0	506.053	3.155	50	0		KGAARN
CC1CCC(C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC1	ZINC000009694433	553299444	/nfs/dbraw/zinc/29/94/44/553299444.db2.gz	XQCQEGAVWQXIIP-WNEJPSKBSA-N	0	0	510.660	3.028	50	0		KGAARN
CC1CCC(C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC1	ZINC000009694434	553299484	/nfs/dbraw/zinc/29/94/84/553299484.db2.gz	XQCQEGAVWQXIIP-NOKYJCPASA-N	0	0	510.660	3.028	50	0		KGAARN
CC[C@@](C)(C(=O)NC1CCCC1)N(C(=O)CNC(=O)c1ccccc1)c1c(C)n(C)n(-c2ccccc2)c1=O	ZINC000009720383	553300514	/nfs/dbraw/zinc/30/05/14/553300514.db2.gz	KSKNZJYGWFJMKI-PMERELPUSA-N	0	0	531.657	3.475	50	0		KGAARN
CC[C@](C)(C(=O)NC1CCCC1)N(C(=O)CNC(=O)c1ccccc1)c1c(C)n(C)n(-c2ccccc2)c1=O	ZINC000009720384	553300488	/nfs/dbraw/zinc/30/04/88/553300488.db2.gz	KSKNZJYGWFJMKI-SSEXGKCCSA-N	0	0	531.657	3.475	50	0		KGAARN
COc1ccc(N(CC(=O)Nc2nc3ccc(OC)cc3s2)S(=O)(=O)c2c(C)nn(C)c2C)cc1	ZINC000009722965	553301180	/nfs/dbraw/zinc/30/11/80/553301180.db2.gz	JVJNRROCNLOIKF-UHFFFAOYSA-N	0	0	515.617	3.498	50	0		KGAARN
CCOC(=O)c1cccc(NC(=O)CN(c2ccc(OC)cc2)S(=O)(=O)c2c(C)nn(C)c2C)c1	ZINC000009722978	553301286	/nfs/dbraw/zinc/30/12/86/553301286.db2.gz	GIRPXDYMSYMBHJ-UHFFFAOYSA-N	0	0	500.577	3.056	50	0		KGAARN
CCOC(=O)c1ccc(NC(=O)CN(c2ccc(OC)cc2)S(=O)(=O)c2c(C)nn(C)c2C)cc1	ZINC000009722989	553301267	/nfs/dbraw/zinc/30/12/67/553301267.db2.gz	JWYBONOIQXANSC-UHFFFAOYSA-N	0	0	500.577	3.056	50	0		KGAARN
COc1ccc(CCNC(=O)CN(c2cc(C)cc(C)c2)S(=O)(=O)c2c(C)noc2C)cc1OC	ZINC000009723903	553301344	/nfs/dbraw/zinc/30/13/44/553301344.db2.gz	BAIFRHFXQQNQHT-UHFFFAOYSA-N	0	0	501.605	3.480	50	0		KGAARN
CCOCCn1c2ccc(F)cc2s/c1=N\C(=O)c1ccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)cc1	ZINC000009724237	553301281	/nfs/dbraw/zinc/30/12/81/553301281.db2.gz	PQBZPGIZROKTKC-JSOFMQCWSA-N	0	0	521.636	3.417	50	0		KGAARN
Cn1cc(C(=O)N(C[C@@H]2CCCO2)C[C@H]2CC=CCC2)c(=O)c2cc(S(=O)(=O)N3CCCC3)ccc21	ZINC000009724359	553301292	/nfs/dbraw/zinc/30/12/92/553301292.db2.gz	YXFABFPNLSBXKA-SFTDATJTSA-N	0	0	513.660	3.301	50	0		KGAARN
Cn1cc(C(=O)N(C[C@@H]2CCCO2)C[C@@H]2CC=CCC2)c(=O)c2cc(S(=O)(=O)N3CCCC3)ccc21	ZINC000009724365	553301346	/nfs/dbraw/zinc/30/13/46/553301346.db2.gz	YXFABFPNLSBXKA-RTWAWAEBSA-N	0	0	513.660	3.301	50	0		KGAARN
Cn1cc(C(=O)N(C[C@H]2CCCO2)C[C@@H]2CC=CCC2)c(=O)c2cc(S(=O)(=O)N3CCCC3)ccc21	ZINC000009724371	553301494	/nfs/dbraw/zinc/30/14/94/553301494.db2.gz	YXFABFPNLSBXKA-NHCUHLMSSA-N	0	0	513.660	3.301	50	0		KGAARN
CN(C1CCCCC1)S(=O)(=O)c1ccc2c(c1)c(=O)c(C(=O)NCc1ccc3c(c1)OCO3)cn2C	ZINC000009724949	553301532	/nfs/dbraw/zinc/30/15/32/553301532.db2.gz	IEXJJONNPWKWEI-UHFFFAOYSA-N	0	0	511.600	3.150	50	0		KGAARN
CCn1cc(C(=O)NCCc2ccc(OC)c(OC)c2)c(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc21	ZINC000009725869	553301760	/nfs/dbraw/zinc/30/17/60/553301760.db2.gz	UQLXALDUKZAZRN-UHFFFAOYSA-N	0	0	527.643	3.186	50	0		KGAARN
CCn1cc(C(=O)NCCCSC2CCCCC2)c(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc21	ZINC000009726044	553301887	/nfs/dbraw/zinc/30/18/87/553301887.db2.gz	KDAMXIWFRZVTAP-UHFFFAOYSA-N	0	0	521.705	3.228	50	0		KGAARN
CCn1cc(C(=O)NC[C@@H]2COc3ccccc3O2)c(=O)c2cc(S(=O)(=O)N3CCCCCC3)ccc21	ZINC000009726207	553301900	/nfs/dbraw/zinc/30/19/00/553301900.db2.gz	WCBNUYSGHGPDFX-LJQANCHMSA-N	0	0	525.627	3.156	50	0		KGAARN
CCn1cc(C(=O)NC[C@H]2COc3ccccc3O2)c(=O)c2cc(S(=O)(=O)N3CCCCCC3)ccc21	ZINC000009726216	553301874	/nfs/dbraw/zinc/30/18/74/553301874.db2.gz	WCBNUYSGHGPDFX-IBGZPJMESA-N	0	0	525.627	3.156	50	0		KGAARN
CCOC(=O)[C@H]1CCCN(C(=O)c2cn(CC)c3ccc(S(=O)(=O)N(C)C4CCCCC4)cc3c2=O)C1	ZINC000009726242	553301912	/nfs/dbraw/zinc/30/19/12/553301912.db2.gz	QKEARMRVJKQHPI-IBGZPJMESA-N	0	0	531.675	3.390	50	0		KGAARN
CCOC(=O)[C@@H]1CCCN(C(=O)c2cn(CC)c3ccc(S(=O)(=O)N(C)C4CCCCC4)cc3c2=O)C1	ZINC000009726248	553301871	/nfs/dbraw/zinc/30/18/71/553301871.db2.gz	QKEARMRVJKQHPI-LJQANCHMSA-N	0	0	531.675	3.390	50	0		KGAARN
COC(=O)Cn1c2ccc(C)cc2s/c1=N\C(=O)c1ccc(S(=O)(=O)N2CCC[C@@H](C)C2)cc1	ZINC000009726462	553301972	/nfs/dbraw/zinc/30/19/72/553301972.db2.gz	KYVQACCGRSUGOQ-BGQJIPHFSA-N	0	0	501.630	3.346	50	0		KGAARN
COC(=O)Cn1c2ccc(C)cc2s/c1=N\C(=O)c1ccc(S(=O)(=O)N2CCCC[C@H]2C)cc1	ZINC000009726471	553301924	/nfs/dbraw/zinc/30/19/24/553301924.db2.gz	KZIPDIUJDOALFY-BGQJIPHFSA-N	0	0	501.630	3.488	50	0		KGAARN
COC(=O)Cn1c2ccc(F)cc2s/c1=N\C(=O)c1ccc(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)cc1	ZINC000009726792	553302129	/nfs/dbraw/zinc/30/21/29/553302129.db2.gz	CUGQIUBGVHTALU-UFFQQSBUSA-N	0	0	519.620	3.423	50	0		KGAARN
COc1ccc(-c2cc3c(=O)n(CC(=O)N4CCN(c5cc(Cl)ccc5C)CC4)nc(C)n3n2)cc1	ZINC000009727844	553302109	/nfs/dbraw/zinc/30/21/09/553302109.db2.gz	IKCYXUMAEPIYAO-UHFFFAOYSA-N	0	0	506.994	3.186	50	0		KGAARN
CCOc1ccc(CCNC(=O)Cn2nc(C)n3nc(-c4ccc(OC)cc4)cc3c2=O)cc1OCC	ZINC000009727967	553302119	/nfs/dbraw/zinc/30/21/19/553302119.db2.gz	FTTIMDJKFQGXIP-UHFFFAOYSA-N	0	0	505.575	3.031	50	0		KGAARN
CCn1cc(C(=O)NCc2ccc3c(c2)OCO3)c(=O)c2cc(S(=O)(=O)N3CCC(C)CC3)ccc21	ZINC000009730890	553302269	/nfs/dbraw/zinc/30/22/69/553302269.db2.gz	DYJAKFBCPJYNRE-UHFFFAOYSA-N	0	0	511.600	3.101	50	0		KGAARN
CCn1cc(C(=O)NCc2ccc3c(c2)OCO3)c(=O)c2cc(S(=O)(=O)N3C[C@H](C)C[C@H](C)C3)ccc21	ZINC000009731056	553302249	/nfs/dbraw/zinc/30/22/49/553302249.db2.gz	ZIVKVABSIFHGKY-HDICACEKSA-N	0	0	525.627	3.347	50	0		KGAARN
CCn1cc(C(=O)NCc2ccc3c(c2)OCO3)c(=O)c2cc(S(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)ccc21	ZINC000009731058	553302282	/nfs/dbraw/zinc/30/22/82/553302282.db2.gz	ZIVKVABSIFHGKY-ROUUACIJSA-N	0	0	525.627	3.347	50	0		KGAARN
CCn1cc(C(=O)NCc2ccc3c(c2)OCO3)c(=O)c2cc(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)ccc21	ZINC000009731061	553302241	/nfs/dbraw/zinc/30/22/41/553302241.db2.gz	ZIVKVABSIFHGKY-QZTJIDSGSA-N	0	0	525.627	3.347	50	0		KGAARN
COc1ccc(OC)c(N(CC(=O)NCCc2ccc(OC)c(OC)c2)S(=O)(=O)c2ccccc2)c1	ZINC000009761185	553302837	/nfs/dbraw/zinc/30/28/37/553302837.db2.gz	KBQFKKMCILAGJM-UHFFFAOYSA-N	0	0	514.600	3.275	50	0	biogenic	KGAARN
Cc1ccc(S(=O)(=O)c2cccc(S(=O)(=O)NC3CCCC3)c2)cc1S(=O)(=O)NC1CCCC1	ZINC000009761259	553303033	/nfs/dbraw/zinc/30/30/33/553303033.db2.gz	BIPCCFFWPVFECT-UHFFFAOYSA-N	0	0	526.702	3.270	50	0		KGAARN
CCOCCCNC(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(OC)c(OC)c1	ZINC000009763035	553303170	/nfs/dbraw/zinc/30/31/70/553303170.db2.gz	VJRLLPNWJMWKOI-UHFFFAOYSA-N	0	0	501.001	3.104	50	0		KGAARN
CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc[nH]3)c(=O)n2[C@@H]1c1cccc(OC)c1OC	ZINC000009763195	553303215	/nfs/dbraw/zinc/30/32/15/553303215.db2.gz	QOWORMLBIGJNBL-OFVJEAJMSA-N	0	0	515.591	3.281	50	0		KGAARN
CCCCCn1c(SCC(=O)OCC)nc2cc(C(=O)N3CCN(C(=O)OCC)CC3)ccc2c1=O	ZINC000009775433	553303877	/nfs/dbraw/zinc/30/38/77/553303877.db2.gz	PLBKTLFVUXNGHY-UHFFFAOYSA-N	0	0	518.636	3.156	50	0		KGAARN
COc1ccccc1-n1c(CNC(=O)COc2ccccc2)nnc1SCC(=O)Nc1nccs1	ZINC000009775511	553304123	/nfs/dbraw/zinc/30/41/23/553304123.db2.gz	QICXMGCKVCBGRI-UHFFFAOYSA-N	0	0	510.601	3.158	50	0		KGAARN
COc1ccccc1-n1cc(C(=O)NCC(=O)Nc2cc(OC)c(OC)c(OC)c2)c2ccccc2c1=O	ZINC000009775521	553304127	/nfs/dbraw/zinc/30/41/27/553304127.db2.gz	XYSNPJQKEYOUHD-UHFFFAOYSA-N	0	0	517.538	3.394	50	0		KGAARN
COc1ccccc1-n1cc(C(=O)NCC(=O)N2CCN(c3ccccc3OC)CC2)c2ccccc2c1=O	ZINC000009775525	553304297	/nfs/dbraw/zinc/30/42/97/553304297.db2.gz	QLMDKDLXVMOWRB-UHFFFAOYSA-N	0	0	526.593	3.087	50	0		KGAARN
COc1ccccc1-n1cc(C(=O)NCC(=O)N2CCN(c3ccccc3F)CC2)c2ccccc2c1=O	ZINC000009775526	553304303	/nfs/dbraw/zinc/30/43/03/553304303.db2.gz	HGAZWUPHWVOGMJ-UHFFFAOYSA-N	0	0	514.557	3.217	50	0		KGAARN
O=C(Cn1cnc2sc3c(c2c1=O)CCCC3)NCCCC(=O)N1CCN(c2cccc(Cl)c2)CC1	ZINC000009775580	553304245	/nfs/dbraw/zinc/30/42/45/553304245.db2.gz	KDEMKTPYBLNDFO-UHFFFAOYSA-N	0	0	528.078	3.235	50	0		KGAARN
CCOc1ccc(NC(=O)CNC(=O)c2nn(-c3ccc(OC)cc3OC)c(=O)c3ccccc32)cc1	ZINC000009775952	553304742	/nfs/dbraw/zinc/30/47/42/553304742.db2.gz	FAHXYHBEPSPHQA-UHFFFAOYSA-N	0	0	502.527	3.170	50	0		KGAARN
COc1ccc(-n2nc(C(=O)NCC(=O)Nc3cc(C)ccc3OC)c3ccccc3c2=O)c(OC)c1	ZINC000009775966	553304798	/nfs/dbraw/zinc/30/47/98/553304798.db2.gz	BIXFPWNAVNTRFQ-UHFFFAOYSA-N	0	0	502.527	3.088	50	0		KGAARN
COc1ccc(-n2nc(C(=O)NCC(=O)Nc3ccc(OC)c(Cl)c3)c3ccccc3c2=O)c(OC)c1	ZINC000009775991	553304803	/nfs/dbraw/zinc/30/48/03/553304803.db2.gz	AUDOJWMSKCSEDH-UHFFFAOYSA-N	0	0	522.945	3.433	50	0		KGAARN
COc1ccc(NC(=O)CNC(=O)c2nn(-c3ccc(OC)c(Cl)c3)c(=O)c3ccccc32)c(OC)c1	ZINC000009776017	553304822	/nfs/dbraw/zinc/30/48/22/553304822.db2.gz	KAMGDJIWDFCBFD-UHFFFAOYSA-N	0	0	522.945	3.433	50	0		KGAARN
COc1cc(Cl)cc(-n2nc(C(=O)NCC(=O)NCc3ccccc3OC)c3ccccc3c2=O)c1	ZINC000009776019	553304738	/nfs/dbraw/zinc/30/47/38/553304738.db2.gz	RFDUYLXVERVYSL-UHFFFAOYSA-N	0	0	506.946	3.103	50	0		KGAARN
COc1ccc(-n2nc(C(=O)NCC(=O)Nc3nc4ccccc4s3)c3ccccc3c2=O)c(OC)c1	ZINC000009776023	553304810	/nfs/dbraw/zinc/30/48/10/553304810.db2.gz	RFISIZSRDHKNDA-UHFFFAOYSA-N	0	0	515.551	3.381	50	0		KGAARN
COc1ccc(-n2nc(C(=O)NCC(=O)Nc3ccc4c(c3)OCCO4)c3ccccc3c2=O)cc1Cl	ZINC000009776099	553305088	/nfs/dbraw/zinc/30/50/88/553305088.db2.gz	ROVKOVRIMRRREG-UHFFFAOYSA-N	0	0	520.929	3.187	50	0		KGAARN
COc1ccc(OC)c(NC(=O)CNC(=O)c2nn(-c3ccc(OC)c(Cl)c3)c(=O)c3ccccc32)c1	ZINC000009776101	553305042	/nfs/dbraw/zinc/30/50/42/553305042.db2.gz	KKCBFRXOTCERNL-UHFFFAOYSA-N	0	0	522.945	3.433	50	0		KGAARN
COc1ccc(-n2nc(C(=O)NCC(=O)Nc3ccc(OC)c(OC)c3)c3ccccc3c2=O)cc1Cl	ZINC000009776192	553305214	/nfs/dbraw/zinc/30/52/14/553305214.db2.gz	NDNCUAAFHVSIII-UHFFFAOYSA-N	0	0	522.945	3.433	50	0		KGAARN
COc1ccc(NC(=O)CNC(=O)c2nn(-c3ccc(OC)c(OC)c3)c(=O)c3ccccc32)cc1Cl	ZINC000009776207	553305212	/nfs/dbraw/zinc/30/52/12/553305212.db2.gz	SZPRQQZQEKIQLE-UHFFFAOYSA-N	0	0	522.945	3.433	50	0		KGAARN
COc1ccc(Cl)cc1NC(=O)CNC(=O)c1nn(-c2ccc(OC)c(OC)c2)c(=O)c2ccccc21	ZINC000009776220	553305181	/nfs/dbraw/zinc/30/51/81/553305181.db2.gz	BKTOTZULCCDNCI-UHFFFAOYSA-N	0	0	522.945	3.433	50	0		KGAARN
COc1ccc(-n2nc(C(=O)NCC(=O)Nc3ccc4c(c3)OCO4)c3ccccc3c2=O)cc1Cl	ZINC000009776239	553305170	/nfs/dbraw/zinc/30/51/70/553305170.db2.gz	ACHWOMAVFRMAJS-UHFFFAOYSA-N	0	0	506.902	3.145	50	0		KGAARN
COc1ccc(C)cc1NC(=O)CNC(=O)c1nn(-c2ccc(OC)c(OC)c2)c(=O)c2ccccc21	ZINC000009776283	553305432	/nfs/dbraw/zinc/30/54/32/553305432.db2.gz	FJMFWZSMYLSUTA-UHFFFAOYSA-N	0	0	502.527	3.088	50	0		KGAARN
CCOc1ccccc1NC(=O)CNC(=O)c1nn(-c2ccc(OC)c(OC)c2)c(=O)c2ccccc21	ZINC000009776289	553305403	/nfs/dbraw/zinc/30/54/03/553305403.db2.gz	UFANJWSWFOKXLO-UHFFFAOYSA-N	0	0	502.527	3.170	50	0		KGAARN
CCOc1ccc(NC(=O)CNC(=O)c2nn(-c3ccc(OC)c(OC)c3)c(=O)c3ccccc32)cc1	ZINC000009776297	553305389	/nfs/dbraw/zinc/30/53/89/553305389.db2.gz	ZOSMWHAANRLDMS-UHFFFAOYSA-N	0	0	502.527	3.170	50	0		KGAARN
COc1ccc(-n2nc(C(=O)NCC(=O)N(C)c3ccc(Cl)cc3)c3ccccc3c2=O)cc1OC	ZINC000009776323	553305522	/nfs/dbraw/zinc/30/55/22/553305522.db2.gz	DFIJTLWWNLSWRP-UHFFFAOYSA-N	0	0	506.946	3.449	50	0		KGAARN
CCc1ccc(N(C)C(=O)CNC(=O)c2nn(-c3ccc(OC)c(OC)c3)c(=O)c3ccccc32)cc1	ZINC000009776324	553305530	/nfs/dbraw/zinc/30/55/30/553305530.db2.gz	SBMWIWBZBXJADC-UHFFFAOYSA-N	0	0	500.555	3.358	50	0		KGAARN
CCOC(=O)N1CCC(NC(=O)[C@@H]2c3cc(OC)c(OC)cc3C(=O)N3CCc4ccccc4[C@H]23)CC1	ZINC000009776996	553306479	/nfs/dbraw/zinc/30/64/79/553306479.db2.gz	YWOVQBPPFMNBLN-JWQCQUIFSA-N	0	0	507.587	3.278	50	0		KGAARN
CCOC(=O)N1CCC(NC(=O)[C@H]2c3cc(OC)c(OC)cc3C(=O)N3CCc4ccccc4[C@H]23)CC1	ZINC000009776998	553306496	/nfs/dbraw/zinc/30/64/96/553306496.db2.gz	YWOVQBPPFMNBLN-LOSJGSFVSA-N	0	0	507.587	3.278	50	0		KGAARN
CCOC(=O)N1CCC(NC(=O)[C@@H]2c3cc(OC)c(OC)cc3C(=O)N3CCc4ccccc4[C@@H]23)CC1	ZINC000009776999	553306494	/nfs/dbraw/zinc/30/64/94/553306494.db2.gz	YWOVQBPPFMNBLN-RPBOFIJWSA-N	0	0	507.587	3.278	50	0		KGAARN
CCOC(=O)N1CCC(NC(=O)[C@H]2c3cc(OC)c(OC)cc3C(=O)N3CCc4ccccc4[C@@H]23)CC1	ZINC000009777000	553306516	/nfs/dbraw/zinc/30/65/16/553306516.db2.gz	YWOVQBPPFMNBLN-DQEYMECFSA-N	0	0	507.587	3.278	50	0		KGAARN
COc1ccc(-c2noc(N3CCC(C(=O)N4CCN(c5ccccc5OC)CC4)CC3)n2)cc1OC	ZINC000009777186	553306762	/nfs/dbraw/zinc/30/67/62/553306762.db2.gz	HVFXBVGSRIENIW-UHFFFAOYSA-N	0	0	507.591	3.328	50	0		KGAARN
COc1ccc(N2C(=O)[C@@H](N3C(=O)c4ccccc4C3=O)[C@H]2c2cc(OC)c(OC)c(OC)c2)c(OC)c1	ZINC000009778865	553307232	/nfs/dbraw/zinc/30/72/32/553307232.db2.gz	MPTNTOSDXBALDS-RPWUZVMVSA-N	0	0	518.522	3.482	50	0		KGAARN
COc1ccc(N2C(=O)[C@@H](N3C(=O)c4ccccc4C3=O)[C@@H]2c2cc(OC)c(OC)c(OC)c2)c(OC)c1	ZINC000009778868	553307416	/nfs/dbraw/zinc/30/74/16/553307416.db2.gz	MPTNTOSDXBALDS-ZEQRLZLVSA-N	0	0	518.522	3.482	50	0		KGAARN
COc1ccc(N2C(=O)[C@H](N3C(=O)c4ccccc4C3=O)[C@H]2c2cc(OC)c(OC)c(OC)c2)c(OC)c1	ZINC000009778874	553307450	/nfs/dbraw/zinc/30/74/50/553307450.db2.gz	MPTNTOSDXBALDS-DNQXCXABSA-N	0	0	518.522	3.482	50	0		KGAARN
COc1ccc(N2C(=O)[C@H](N3C(=O)c4ccccc4C3=O)[C@@H]2c2cc(OC)c(OC)c(OC)c2)c(OC)c1	ZINC000009778876	553307440	/nfs/dbraw/zinc/30/74/40/553307440.db2.gz	MPTNTOSDXBALDS-BJKOFHAPSA-N	0	0	518.522	3.482	50	0		KGAARN
CCN(CCCNC(=O)CNC(=O)c1nn(-c2ccc(OC)cc2)c(=O)c2ccccc21)c1cccc(C)c1	ZINC000009779751	553307368	/nfs/dbraw/zinc/30/73/68/553307368.db2.gz	ZHYIXHNGHHQAPO-UHFFFAOYSA-N	0	0	527.625	3.465	50	0		KGAARN
COc1ccc(CCNc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(Cl)cc2Cl)cc1OC	ZINC000009782483	553308207	/nfs/dbraw/zinc/30/82/07/553308207.db2.gz	KKZNVFCHYSQUAY-UHFFFAOYSA-N	0	0	518.401	3.461	50	0	biogenic	KGAARN
COc1ccc(CCNc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(Cl)c(Cl)c2)cc1OC	ZINC000009782500	553308210	/nfs/dbraw/zinc/30/82/10/553308210.db2.gz	YHKPPFIJCSQTQK-UHFFFAOYSA-N	0	0	518.401	3.461	50	0	biogenic	KGAARN
CCS(=O)(=O)c1ccc(-c2ccc(NC(=O)c3ccc(S(=O)(=O)N4CCCCC4)cc3)cc2)nn1	ZINC000009787103	553308324	/nfs/dbraw/zinc/30/83/24/553308324.db2.gz	AVFNHYHRBITRGI-UHFFFAOYSA-N	0	0	514.629	3.364	50	0		KGAARN
CCN(C[C@@H](O)CN(c1ccccc1OC)S(=O)(=O)c1ccccc1)S(=O)(=O)c1ccc(C)cc1	ZINC000009804760	553308270	/nfs/dbraw/zinc/30/82/70/553308270.db2.gz	LUOYHXGKKXAMDQ-OAQYLSRUSA-N	0	0	518.657	3.271	50	0		KGAARN
CCN(CC)S(=O)(=O)c1ccc(C(=O)Oc2ccc(NC3=NS(=O)(=O)c4ccccc43)cc2)cc1	ZINC000009805231	553308342	/nfs/dbraw/zinc/30/83/42/553308342.db2.gz	LCCRFMNFNYVUBY-UHFFFAOYSA-N	0	0	513.597	3.497	50	0		KGAARN
CCOC(=O)CN1C(=S)N(c2ccc(Cl)cc2)C(=O)[C@H]1CC(=O)Nc1ccc(C(=O)OC)cc1	ZINC000009805357	553308617	/nfs/dbraw/zinc/30/86/17/553308617.db2.gz	RQOBCWXVDLZPMB-GOSISDBHSA-N	0	0	503.964	3.021	50	0		KGAARN
CCOC(=O)CN1C(=S)N(c2ccc(Cl)cc2)C(=O)[C@@H]1CC(=O)Nc1ccc(C(=O)OC)cc1	ZINC000009805358	553308568	/nfs/dbraw/zinc/30/85/68/553308568.db2.gz	RQOBCWXVDLZPMB-SFHVURJKSA-N	0	0	503.964	3.021	50	0		KGAARN
C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NC(=S)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1	ZINC000009805636	553308622	/nfs/dbraw/zinc/30/86/22/553308622.db2.gz	HNEKBRIKIVINOP-CYBMUJFWSA-N	0	0	518.444	3.295	50	0		KGAARN
C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NC(=S)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1	ZINC000009805861	553308628	/nfs/dbraw/zinc/30/86/28/553308628.db2.gz	HNEKBRIKIVINOP-ZDUSSCGKSA-N	0	0	518.444	3.295	50	0		KGAARN
COc1cc(C(=O)NC(=S)Nc2ccc(S(=O)(=O)NC3CCCCC3)cc2)cc(OC)c1OC	ZINC000009805876	553308718	/nfs/dbraw/zinc/30/87/18/553308718.db2.gz	ZKHIWDIHUAMODI-UHFFFAOYSA-N	0	0	507.634	3.450	50	0		KGAARN
CCOCCn1c2ccccc2s/c1=N\C(=O)c1ccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)cc1	ZINC000009807359	553308738	/nfs/dbraw/zinc/30/87/38/553308738.db2.gz	IDZCJQXHQWIEHN-LOPSRCOCSA-N	0	0	503.646	3.278	50	0		KGAARN
CCCN(CCC)S(=O)(=O)c1ccc(C(=O)/N=c2\sc3cc(OC)ccc3n2CC(=O)OC)cc1	ZINC000009809257	553308767	/nfs/dbraw/zinc/30/87/67/553308767.db2.gz	WQAJMFFGIRNHRU-IZHYLOQSSA-N	0	0	519.645	3.436	50	0		KGAARN
COC(=O)Cn1c2ccccc2s/c1=N\C(=O)c1ccc(S(=O)(=O)N2CCc3ccccc32)cc1	ZINC000009809726	553308716	/nfs/dbraw/zinc/30/87/16/553308716.db2.gz	FKKPJJAFURMIOZ-QPLCGJKRSA-N	0	0	507.593	3.368	50	0		KGAARN
COc1cc(/C=C\C(=O)NCCn2ncc3c2ncn(Cc2ccc(Cl)cc2)c3=O)cc(OC)c1OC	ZINC000009823473	553308772	/nfs/dbraw/zinc/30/87/72/553308772.db2.gz	SWTODKPDQAKVMK-TWGQIWQCSA-N	0	0	523.977	3.150	50	0		KGAARN
Cc1ccnc(SCc2cc(=O)c(OC(=O)c3ccc(S(=O)(=O)N4CCCCC4)cc3)co2)n1	ZINC000009829306	553309021	/nfs/dbraw/zinc/30/90/21/553309021.db2.gz	ANRPVRUMZONHAK-UHFFFAOYSA-N	0	0	501.586	3.424	50	0		KGAARN
CCN1CCN(c2nc3c(S(=O)(=O)c4ccc(Br)cc4)nnn3c3ccccc32)CC1	ZINC000009830033	553309026	/nfs/dbraw/zinc/30/90/26/553309026.db2.gz	RUPDSPXJIRUOSS-UHFFFAOYSA-N	0	0	501.410	3.015	50	0		KGAARN
CCOc1ccc(NC(=O)Cn2c3sc4c(c3c(=O)n(-c3ccccc3)c2=O)CCN(C(C)=O)C4)cc1	ZINC000009830511	553309036	/nfs/dbraw/zinc/30/90/36/553309036.db2.gz	ZAQHGGLRYDBVHA-UHFFFAOYSA-N	0	0	518.595	3.156	50	0		KGAARN
CC(=O)c1cccc(-n2c(=O)c3c4c(sc3n(CC(=O)c3ccc(F)cc3)c2=O)CN(C(C)=O)CC4)c1	ZINC000009830518	553309114	/nfs/dbraw/zinc/30/91/14/553309114.db2.gz	CBGKATADIIHEHV-UHFFFAOYSA-N	0	0	519.554	3.343	50	0		KGAARN
COc1ccc(-n2c(=O)c3c4c(sc3n(CC(=O)c3ccccc3)c2=O)CN(C(C)=O)CC4)c(OC)c1	ZINC000009830531	553309076	/nfs/dbraw/zinc/30/90/76/553309076.db2.gz	KBJDHEPRADBXEP-UHFFFAOYSA-N	0	0	519.579	3.019	50	0		KGAARN
COc1ccc(-n2c(=O)c3c4c(sc3n(Cc3ccccc3C)c2=O)CN(C(C)=O)CC4)c(OC)c1	ZINC000009830533	553309077	/nfs/dbraw/zinc/30/90/77/553309077.db2.gz	NWDIBQVMYVAMHL-UHFFFAOYSA-N	0	0	505.596	3.492	50	0		KGAARN
COc1ccc(-n2c(=O)c3c4c(sc3n(Cc3ccccc3F)c2=O)CN(C(C)=O)CC4)c(OC)c1	ZINC000009830534	553309103	/nfs/dbraw/zinc/30/91/03/553309103.db2.gz	HOYMFUKNLBELSM-UHFFFAOYSA-N	0	0	509.559	3.323	50	0		KGAARN
COc1ccc(-n2c(=O)c3c4c(sc3n(Cc3ccc(C)cc3)c2=O)CN(C(C)=O)CC4)c(OC)c1	ZINC000009830535	553309089	/nfs/dbraw/zinc/30/90/89/553309089.db2.gz	HZQYBXATWQAJLF-UHFFFAOYSA-N	0	0	505.596	3.492	50	0		KGAARN
COc1ccc(-n2c(=O)c3c4c(sc3n(Cc3cccc(C)c3)c2=O)CN(C(C)=O)CC4)c(OC)c1	ZINC000009830536	553309082	/nfs/dbraw/zinc/30/90/82/553309082.db2.gz	HXBOPCHXWQAXFI-UHFFFAOYSA-N	0	0	505.596	3.492	50	0		KGAARN
CC(=O)NCC(=O)N(c1c(C)n(C)n(-c2ccccc2)c1=O)C1(C(=O)NC2CCCCC2)CCCCC1	ZINC000009834906	553310107	/nfs/dbraw/zinc/31/01/07/553310107.db2.gz	KLFBWPIRDURMNY-UHFFFAOYSA-N	0	0	509.651	3.105	50	0		KGAARN
CCOCCCNC(=O)[C@@H](c1ccc(OC)cc1)N(Cc1ccc2c(c1)OCO2)C(=O)c1cnccn1	ZINC000009834993	553310394	/nfs/dbraw/zinc/31/03/94/553310394.db2.gz	CZUVIHUMOJKDFJ-RUZDIDTESA-N	0	0	506.559	3.140	50	0		KGAARN
CCOCCCNC(=O)[C@H](c1ccc(OC)cc1)N(Cc1ccc2c(c1)OCO2)C(=O)c1cnccn1	ZINC000009834995	553310339	/nfs/dbraw/zinc/31/03/39/553310339.db2.gz	CZUVIHUMOJKDFJ-VWLOTQADSA-N	0	0	506.559	3.140	50	0		KGAARN
COC(=O)c1cc(NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2c(C)noc2C)cc(C(=O)OC)c1	ZINC000009837775	553310742	/nfs/dbraw/zinc/31/07/42/553310742.db2.gz	RBHABHQZNZWRDD-UHFFFAOYSA-N	0	0	515.544	3.007	50	0		KGAARN
CCOc1ccc(CCNC(=O)[C@@H]2CCCN(S(=O)(=O)c3cccc4nsnc43)C2)cc1OCC	ZINC000009838217	553310770	/nfs/dbraw/zinc/31/07/70/553310770.db2.gz	GGBCPTHRQIJTRY-GOSISDBHSA-N	0	0	518.661	3.248	50	0		KGAARN
CCOc1ccc(CCNC(=O)[C@H]2CCCN(S(=O)(=O)c3cccc4nsnc43)C2)cc1OCC	ZINC000009838221	553310790	/nfs/dbraw/zinc/31/07/90/553310790.db2.gz	GGBCPTHRQIJTRY-SFHVURJKSA-N	0	0	518.661	3.248	50	0		KGAARN
COc1cc2nc(SCC(=O)NCc3ccco3)n3nc(CCn4nc(C)cc4C)nc3c2cc1OC	ZINC000009838696	553310922	/nfs/dbraw/zinc/31/09/22/553310922.db2.gz	AQFSUYRMKTZNRA-UHFFFAOYSA-N	0	0	521.603	3.352	50	0		KGAARN
COc1ccc(CCNC(=O)C2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)cc1OC	ZINC000009845866	553311417	/nfs/dbraw/zinc/31/14/17/553311417.db2.gz	WGZVYTVAHVZTOY-UHFFFAOYSA-N	0	0	511.438	3.226	50	0		KGAARN
CCOC(=O)N1CCN(C(=O)CN(Cc2ccc(Cl)cc2Cl)S(=O)(=O)c2ccccc2)CC1	ZINC000009846030	553311443	/nfs/dbraw/zinc/31/14/43/553311443.db2.gz	MRMGBEZEYMFWAO-UHFFFAOYSA-N	0	0	514.431	3.485	50	0		KGAARN
COc1ccc(S(=O)(=O)N(CC(=O)N2CCN(c3ccc(F)cc3)CC2)Cc2ccccc2)cc1OC	ZINC000009846698	553312026	/nfs/dbraw/zinc/31/20/26/553312026.db2.gz	NOXBYBYNTVPZOB-UHFFFAOYSA-N	0	0	527.618	3.383	50	0		KGAARN
COc1ccc(S(=O)(=O)N(CC(=O)N2CCN(c3ccccc3F)CC2)Cc2ccccc2)cc1OC	ZINC000009846700	553312080	/nfs/dbraw/zinc/31/20/80/553312080.db2.gz	LBCZGJFTUDZATJ-UHFFFAOYSA-N	0	0	527.618	3.383	50	0		KGAARN
CCOC(=O)C1CCN(C(=O)CCC(=O)Nc2cc(OC)c(NC(=O)c3ccccc3)cc2OC)CC1	ZINC000009846848	553312065	/nfs/dbraw/zinc/31/20/65/553312065.db2.gz	TZPVALRTULDONW-UHFFFAOYSA-N	0	0	511.575	3.477	50	0		KGAARN
COc1ccc(S(=O)(=O)N(CC(=O)N2CCN(c3ccccc3)CC2)c2ccc(F)cc2)cc1OC	ZINC000009851055	553312985	/nfs/dbraw/zinc/31/29/85/553312985.db2.gz	PKKDWCNFBZTVOC-UHFFFAOYSA-N	0	0	513.591	3.387	50	0		KGAARN
COc1ccc(CCNC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc3c(c2)OCCO3)cc1	ZINC000009851578	553313198	/nfs/dbraw/zinc/31/31/98/553313198.db2.gz	ZVVJHSRZBCGGIY-UHFFFAOYSA-N	0	0	500.548	3.160	50	0		KGAARN
Cn1c2ccc(S(=O)(=O)N3CCC(C(=O)NC(c4ccccc4)c4ccccc4)CC3)cc2oc1=O	ZINC000009856458	553313510	/nfs/dbraw/zinc/31/35/10/553313510.db2.gz	TXDQDGMNHVBFND-UHFFFAOYSA-N	0	0	505.596	3.438	50	0		KGAARN
COc1ccc(N(CC(=O)N2CCN(c3ccc(F)cc3)CC2)S(=O)(=O)c2ccccc2)cc1OC	ZINC000009892473	553315113	/nfs/dbraw/zinc/31/51/13/553315113.db2.gz	LPLZLMGRRODVPS-UHFFFAOYSA-N	0	0	513.591	3.387	50	0		KGAARN
COC(=O)c1ccc(N2CCN(C(C)=O)CC2)c(NC(=O)c2cc(Br)cc(C)c2OC)c1	ZINC000009892727	553315320	/nfs/dbraw/zinc/31/53/20/553315320.db2.gz	VPVACBGVGLZQNA-UHFFFAOYSA-N	0	0	504.381	3.474	50	0		KGAARN
COC(=O)c1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(NC(=O)COc2ccc(OC)cc2)c1	ZINC000009907903	553316322	/nfs/dbraw/zinc/31/63/22/553316322.db2.gz	LNDOGIKXVBEANZ-UHFFFAOYSA-N	0	0	503.555	3.462	50	0		KGAARN
CCOC(=O)c1ccc(N2CCN(C(C)=O)CC2)c(NC(=O)COc2ccc(Br)cc2)c1	ZINC000009907918	553316310	/nfs/dbraw/zinc/31/63/10/553316310.db2.gz	FFFPAKGOIRDTNU-UHFFFAOYSA-N	0	0	504.381	3.312	50	0		KGAARN
Cc1sc2ncn(CC(=O)NCCC3=CCCCC3)c(=O)c2c1S(=O)(=O)N1C[C@H](C)C[C@H](C)C1	ZINC000009935399	553318371	/nfs/dbraw/zinc/31/83/71/553318371.db2.gz	HEUNQGTVEPLHOF-CALCHBBNSA-N	0	0	506.694	3.440	50	0		KGAARN
Cc1sc2ncn(CC(=O)NCCC3=CCCCC3)c(=O)c2c1S(=O)(=O)N1C[C@@H](C)C[C@H](C)C1	ZINC000009935402	553318403	/nfs/dbraw/zinc/31/84/03/553318403.db2.gz	HEUNQGTVEPLHOF-IRXDYDNUSA-N	0	0	506.694	3.440	50	0		KGAARN
Cc1sc2ncn(CC(=O)NCCC3=CCCCC3)c(=O)c2c1S(=O)(=O)N1C[C@H](C)C[C@@H](C)C1	ZINC000009935407	553318381	/nfs/dbraw/zinc/31/83/81/553318381.db2.gz	HEUNQGTVEPLHOF-IAGOWNOFSA-N	0	0	506.694	3.440	50	0		KGAARN
Cc1sc2ncn(CC(=O)Nc3ccc(F)cc3F)c(=O)c2c1S(=O)(=O)N1C[C@H](C)C[C@H](C)C1	ZINC000009935444	553318387	/nfs/dbraw/zinc/31/83/87/553318387.db2.gz	IMTCBVTWJOMVSR-BETUJISGSA-N	0	0	510.588	3.350	50	0		KGAARN
Cc1sc2ncn(CC(=O)Nc3ccc(F)cc3F)c(=O)c2c1S(=O)(=O)N1C[C@@H](C)C[C@H](C)C1	ZINC000009935446	553318391	/nfs/dbraw/zinc/31/83/91/553318391.db2.gz	IMTCBVTWJOMVSR-STQMWFEESA-N	0	0	510.588	3.350	50	0		KGAARN
Cc1sc2ncn(CC(=O)Nc3ccc(F)cc3F)c(=O)c2c1S(=O)(=O)N1C[C@H](C)C[C@@H](C)C1	ZINC000009935448	553318408	/nfs/dbraw/zinc/31/84/08/553318408.db2.gz	IMTCBVTWJOMVSR-CHWSQXEVSA-N	0	0	510.588	3.350	50	0		KGAARN
COc1cccc(NC(=O)Cn2cnc3sc(C)c(S(=O)(=O)N4C[C@H](C)C[C@H](C)C4)c3c2=O)c1	ZINC000009935456	553318355	/nfs/dbraw/zinc/31/83/55/553318355.db2.gz	MEVWMBNNIGBVRA-GASCZTMLSA-N	0	0	504.634	3.080	50	0		KGAARN
COc1cccc(NC(=O)Cn2cnc3sc(C)c(S(=O)(=O)N4C[C@@H](C)C[C@H](C)C4)c3c2=O)c1	ZINC000009935461	553318395	/nfs/dbraw/zinc/31/83/95/553318395.db2.gz	MEVWMBNNIGBVRA-GJZGRUSLSA-N	0	0	504.634	3.080	50	0		KGAARN
COc1cccc(NC(=O)Cn2cnc3sc(C)c(S(=O)(=O)N4C[C@H](C)C[C@@H](C)C4)c3c2=O)c1	ZINC000009935465	553318389	/nfs/dbraw/zinc/31/83/89/553318389.db2.gz	MEVWMBNNIGBVRA-HUUCEWRRSA-N	0	0	504.634	3.080	50	0		KGAARN
Cc1sc2ncn(CC(=O)N[C@@H]3CCC[C@H](C)[C@@H]3C)c(=O)c2c1S(=O)(=O)N1C[C@H](C)C[C@H](C)C1	ZINC000009935594	553318400	/nfs/dbraw/zinc/31/84/00/553318400.db2.gz	ZQYIYROGKDLTEP-CNMWIUBYSA-N	0	0	508.710	3.374	50	0		KGAARN
CCOc1ccc(NC(=O)Cn2cnc3sc(C)c(S(=O)(=O)N4C[C@H](C)C[C@H](C)C4)c3c2=O)cc1	ZINC000009935845	553318561	/nfs/dbraw/zinc/31/85/61/553318561.db2.gz	RRXJSTDVWSXMHX-IYBDPMFKSA-N	0	0	518.661	3.470	50	0		KGAARN
COc1ccc(C)cc1NC(=O)Cn1cnc2sc(C)c(S(=O)(=O)N3C[C@H](C)C[C@H](C)C3)c2c1=O	ZINC000009935906	553318575	/nfs/dbraw/zinc/31/85/75/553318575.db2.gz	URFAMFZHNNUAQC-IYBDPMFKSA-N	0	0	518.661	3.389	50	0		KGAARN
COc1ccc(C)cc1NC(=O)Cn1cnc2sc(C)c(S(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)c2c1=O	ZINC000009935913	553318599	/nfs/dbraw/zinc/31/85/99/553318599.db2.gz	URFAMFZHNNUAQC-HOTGVXAUSA-N	0	0	518.661	3.389	50	0		KGAARN
COc1ccc(CCNC(=O)Cn2c3ccccc3c(=O)n(CCc3ccc(Cl)cc3)c2=O)cc1OC	ZINC000009937686	553318998	/nfs/dbraw/zinc/31/89/98/553318998.db2.gz	QVEWPABRGXKVPC-UHFFFAOYSA-N	0	0	522.001	3.435	50	0		KGAARN
COc1ccc(OC)c(NC(=O)Cn2c3cc(OC)c(OC)cc3c(=O)n(CCc3ccccc3)c2=O)c1	ZINC000009937951	553318983	/nfs/dbraw/zinc/31/89/83/553318983.db2.gz	VKPPNYBNLKLJIH-UHFFFAOYSA-N	0	0	519.554	3.079	50	0		KGAARN
CC[C@@H]1CCCCN1C(=O)Cn1c2ccsc2c(=O)n(CCCC(=O)Nc2ccc(OC)cc2)c1=O	ZINC000009938176	553319009	/nfs/dbraw/zinc/31/90/09/553319009.db2.gz	BHWMBEUBIUZYFK-LJQANCHMSA-N	0	0	512.632	3.443	50	0		KGAARN
CC[C@H]1CCCCN1C(=O)Cn1c2ccsc2c(=O)n(CCCC(=O)Nc2ccc(OC)cc2)c1=O	ZINC000009938182	553319000	/nfs/dbraw/zinc/31/90/00/553319000.db2.gz	BHWMBEUBIUZYFK-IBGZPJMESA-N	0	0	512.632	3.443	50	0		KGAARN
COc1ccc(NC(=O)CCCn2c(=O)c3sccc3n(CC(=O)NCc3ccc(C)cc3)c2=O)cc1	ZINC000009938204	553318984	/nfs/dbraw/zinc/31/89/84/553318984.db2.gz	LGSCDZKCVDZFTQ-UHFFFAOYSA-N	0	0	520.611	3.277	50	0		KGAARN
CCOC(=O)N1CCc2c(sc3c2c(=O)n(-c2ccccc2)c(=O)n3CC(=O)Nc2ccccc2)C1	ZINC000009938730	553319089	/nfs/dbraw/zinc/31/90/89/553319089.db2.gz	WMTNGJLNDDEAQP-UHFFFAOYSA-N	0	0	504.568	3.367	50	0		KGAARN
CCn1cc2nc(SCC(=O)Nc3cc(OC)ccc3OC)n(Cc3ccc(OC)cc3)c(=O)c2n1	ZINC000009940073	553319351	/nfs/dbraw/zinc/31/93/51/553319351.db2.gz	XXHBEWHOHUXMAX-UHFFFAOYSA-N	0	0	509.588	3.418	50	0		KGAARN
CCn1cc2nc(SCC(=O)Nc3ccc(OC)c(OC)c3)n(Cc3ccc(OC)cc3)c(=O)c2n1	ZINC000009940077	553319330	/nfs/dbraw/zinc/31/93/30/553319330.db2.gz	DTOODOZBEPOENT-UHFFFAOYSA-N	0	0	509.588	3.418	50	0		KGAARN
CCn1cc2nc(SCC(=O)Nc3cc(OC)cc(OC)c3)n(Cc3ccc(OC)cc3)c(=O)c2n1	ZINC000009940084	553319334	/nfs/dbraw/zinc/31/93/34/553319334.db2.gz	RRRKGBWUKNFWIX-UHFFFAOYSA-N	0	0	509.588	3.418	50	0		KGAARN
CCn1cc2nc(SCC(=O)Nc3ccc(OC)cc3OC)n(Cc3ccc(OC)cc3)c(=O)c2n1	ZINC000009940089	553319339	/nfs/dbraw/zinc/31/93/39/553319339.db2.gz	GXFCDIXBQJYKLB-UHFFFAOYSA-N	0	0	509.588	3.418	50	0		KGAARN
O=C(CSc1ncc(S(=O)(=O)c2ccc(Br)cc2)c(O)n1)NCCc1ccccc1	ZINC000009940589	553319461	/nfs/dbraw/zinc/31/94/61/553319461.db2.gz	HKLPGMRJCMVSBC-UHFFFAOYSA-N	0	0	508.419	3.229	50	0		KGAARN
Cc1cccc(C)c1NC(=O)[C@@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1	ZINC000009944289	553319898	/nfs/dbraw/zinc/31/98/98/553319898.db2.gz	FAAJWGZWOBJUKU-QHCPKHFHSA-N	0	0	513.641	3.006	50	0		KGAARN
CCOC(=O)N1CCc2c(sc3c2c(=O)n(-c2ccc(F)cc2)c(=O)n3CC(=O)N2CCCC[C@@H]2C)C1	ZINC000009960125	553320376	/nfs/dbraw/zinc/32/03/76/553320376.db2.gz	DYPBYTBESGUGIX-INIZCTEOSA-N	0	0	528.606	3.269	50	0		KGAARN
CCOC(=O)N1CCc2c(sc3c2c(=O)n(-c2ccc(F)cc2)c(=O)n3CC(=O)N2CCCC[C@H]2C)C1	ZINC000009960129	553320429	/nfs/dbraw/zinc/32/04/29/553320429.db2.gz	DYPBYTBESGUGIX-MRXNPFEDSA-N	0	0	528.606	3.269	50	0		KGAARN
CCOC(=O)N1CCc2c(sc3c2c(=O)n(-c2ccc(Cl)cc2)c(=O)n3CC(=O)N(CC)CC)C1	ZINC000009960151	553320374	/nfs/dbraw/zinc/32/03/74/553320374.db2.gz	BKQLMZALXXTZRK-UHFFFAOYSA-N	0	0	519.023	3.250	50	0		KGAARN
COc1ccc(Cl)cc1NC(=O)Cn1c(=O)n2nc(CCn3nc(C)cc3C)nc2c2ccccc21	ZINC000009960265	553320689	/nfs/dbraw/zinc/32/06/89/553320689.db2.gz	FRTZPMTXUBLKPV-UHFFFAOYSA-N	0	0	505.966	3.401	50	0		KGAARN
CC1CCN(S(=O)(=O)c2ccc3c(c2)N(CC(=O)NCCCSC2CCCCC2)C(=O)CO3)CC1	ZINC000009962808	553320638	/nfs/dbraw/zinc/32/06/38/553320638.db2.gz	GCWZUBROSUZPQY-UHFFFAOYSA-N	0	0	523.721	3.405	50	0		KGAARN
CC1CCN(S(=O)(=O)c2ccc3c(c2)N(CC(=O)N2CCC(Cc4ccccc4)CC2)C(=O)CO3)CC1	ZINC000009962815	553320659	/nfs/dbraw/zinc/32/06/59/553320659.db2.gz	BIDIWHNGUJSKPN-UHFFFAOYSA-N	0	0	525.671	3.314	50	0		KGAARN
O=C(CN1C(=O)COc2ccc(S(=O)(=O)N3CCCCCC3)cc21)N1CCC(Cc2ccccc2)CC1	ZINC000009963364	553321161	/nfs/dbraw/zinc/32/11/61/553321161.db2.gz	WDSDYKYNKIPWGP-UHFFFAOYSA-N	0	0	525.671	3.458	50	0		KGAARN
CSc1ccc(CCNC(=O)CN2C(=O)COc3ccc(S(=O)(=O)N4C[C@@H](C)C[C@H](C)C4)cc32)cc1	ZINC000009963405	553321175	/nfs/dbraw/zinc/32/11/75/553321175.db2.gz	MRWWZZGLJPRBHI-OALUTQOASA-N	0	0	531.700	3.159	50	0		KGAARN
CSc1ccc(CCNC(=O)CN2C(=O)COc3ccc(S(=O)(=O)N4C[C@H](C)C[C@H](C)C4)cc32)cc1	ZINC000009963406	553321136	/nfs/dbraw/zinc/32/11/36/553321136.db2.gz	MRWWZZGLJPRBHI-KDURUIRLSA-N	0	0	531.700	3.159	50	0		KGAARN
C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc3c(c2)N(CC(=O)NCc2ccc(Cl)cc2)C(=O)CO3)C1	ZINC000009963459	553321142	/nfs/dbraw/zinc/32/11/42/553321142.db2.gz	CMNHVQOTUZZQHE-IAGOWNOFSA-N	0	0	506.024	3.048	50	0		KGAARN
C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2ccc3c(c2)N(CC(=O)NCc2ccccc2Cl)C(=O)CO3)C1	ZINC000009963484	553321435	/nfs/dbraw/zinc/32/14/35/553321435.db2.gz	FCKVFHKCBZJOJS-CALCHBBNSA-N	0	0	506.024	3.048	50	0		KGAARN
C[C@@H](CCc1ccccc1)NC(=O)CN1C(=O)COc2ccc(S(=O)(=O)N3C[C@H](C)C[C@H](C)C3)cc21	ZINC000009963556	553321463	/nfs/dbraw/zinc/32/14/63/553321463.db2.gz	JXPZISJBRIFUOZ-HBMCJLEFSA-N	0	0	513.660	3.216	50	0		KGAARN
C[C@@H](CCc1ccccc1)NC(=O)CN1C(=O)COc2ccc(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)cc21	ZINC000009963562	553321505	/nfs/dbraw/zinc/32/15/05/553321505.db2.gz	JXPZISJBRIFUOZ-NJYVYQBISA-N	0	0	513.660	3.216	50	0		KGAARN
CCOC(=O)N1CCN(C(=O)CN(c2cc(Cl)ccc2OC)S(=O)(=O)c2ccc(C)cc2)CC1	ZINC000009968853	553321939	/nfs/dbraw/zinc/32/19/39/553321939.db2.gz	ILEYXRVVSLXICU-UHFFFAOYSA-N	0	0	510.012	3.153	50	0		KGAARN
CCOC(=O)N1CCN(C(=O)CN(c2ccc(OC)c(Cl)c2)S(=O)(=O)c2ccc(C)cc2)CC1	ZINC000009968854	553321934	/nfs/dbraw/zinc/32/19/34/553321934.db2.gz	OBRMVUYREMKLNM-UHFFFAOYSA-N	0	0	510.012	3.153	50	0		KGAARN
Cn1c2nc(N3CCN(c4ccccc4)CC3)n(CCCSc3nc4ccccc4o3)c2c(=O)[nH]c1=O	ZINC000009969554	553322193	/nfs/dbraw/zinc/32/21/93/553322193.db2.gz	GDBUNVJAIVBLJY-UHFFFAOYSA-N	0	0	517.615	3.074	50	0		KGAARN
O=c1c(Cl)c(N2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)cnn1-c1ccccc1	ZINC000009971742	553322689	/nfs/dbraw/zinc/32/26/89/553322689.db2.gz	SZHVJZNYVNRKFC-UHFFFAOYSA-N	0	0	509.813	3.159	50	0		KGAARN
COc1cc(Cl)ccc1S(=O)(=O)N1CCCN(S(=O)(=O)c2ccc(Cl)cc2OC)CC1	ZINC000009995020	553325133	/nfs/dbraw/zinc/32/51/33/553325133.db2.gz	GMMQHNYZFJFKDS-UHFFFAOYSA-N	0	0	509.433	3.096	50	0		KGAARN
COc1cc(C(=O)N/C(=C\c2cn(C)c3ccccc23)C(=O)NCCCn2ccnc2)cc(OC)c1OC	ZINC000010003235	553325305	/nfs/dbraw/zinc/32/53/05/553325305.db2.gz	RJKPYJLGEUYPBY-HMAPJEAMSA-N	0	0	517.586	3.378	50	0		KGAARN
CCOC(=O)N1CCN(C(=O)CSCC(=O)Nc2nc(-c3ccc(OCC)cc3)c(C)s2)CC1	ZINC000010007595	553325463	/nfs/dbraw/zinc/32/54/63/553325463.db2.gz	AGJIOIYHTUBAKF-UHFFFAOYSA-N	0	0	506.650	3.490	50	0		KGAARN
CCOC(=O)N1CCN(C(=O)CN(Cc2ccccc2Cl)S(=O)(=O)c2ccc(Cl)cc2)CC1	ZINC000010007606	553325464	/nfs/dbraw/zinc/32/54/64/553325464.db2.gz	VUFGMBRJWUPEGK-UHFFFAOYSA-N	0	0	514.431	3.485	50	0		KGAARN
O=C(COC(=O)c1cccc(C(=O)OCC(=O)c2ccc3c(c2)OCCO3)c1)c1ccc2c(c1)OCCO2	ZINC000010034822	553326246	/nfs/dbraw/zinc/32/62/46/553326246.db2.gz	JGWRMSZHIRSSSK-UHFFFAOYSA-N	0	0	518.474	3.308	50	0		KGAARN
O=C(COC(=O)c1ccc(C(=O)OCC(=O)c2ccc3c(c2)OCCO3)cc1)c1ccc2c(c1)OCCO2	ZINC000010034825	553326258	/nfs/dbraw/zinc/32/62/58/553326258.db2.gz	OCAZKCOAGWXZRD-UHFFFAOYSA-N	0	0	518.474	3.308	50	0		KGAARN
COc1ccc(NC(=O)CSc2ncc(CO)n2CC(=O)NCc2ccc(Cl)cc2)cc1OC	ZINC000010063667	553327878	/nfs/dbraw/zinc/32/78/78/553327878.db2.gz	LJGFVCTXGKITNR-UHFFFAOYSA-N	0	0	504.996	3.093	50	0		KGAARN
COc1ccc(C)c2sc(N3CCN(C(=O)C4CCN(S(=O)(=O)c5cccs5)CC4)CC3)nc21	ZINC000010186879	553330517	/nfs/dbraw/zinc/33/05/17/553330517.db2.gz	CXEZAHAKAZCQEY-UHFFFAOYSA-N	0	0	520.702	3.424	50	0		KGAARN
CCOc1ccc2nc(N3CCN(C(=O)[C@@H]4CCCN4S(=O)(=O)c4cccs4)CC3)sc2c1	ZINC000010187092	553330538	/nfs/dbraw/zinc/33/05/38/553330538.db2.gz	BKJMPLSRAYTSHN-SFHVURJKSA-N	0	0	506.675	3.258	50	0		KGAARN
CCOc1ccc2nc(N3CCN(C(=O)[C@H]4CCCN4S(=O)(=O)c4cccs4)CC3)sc2c1	ZINC000010187093	553330502	/nfs/dbraw/zinc/33/05/02/553330502.db2.gz	BKJMPLSRAYTSHN-GOSISDBHSA-N	0	0	506.675	3.258	50	0		KGAARN
COc1ccc(C)c2sc(N3CCN(C(=O)[C@@H]4CCCN4S(=O)(=O)c4cccs4)CC3)nc21	ZINC000010187116	553330497	/nfs/dbraw/zinc/33/04/97/553330497.db2.gz	FHBGAWXSXODUFI-INIZCTEOSA-N	0	0	506.675	3.177	50	0		KGAARN
COc1ccc(C)c2sc(N3CCN(C(=O)[C@H]4CCCN4S(=O)(=O)c4cccs4)CC3)nc21	ZINC000010187117	553330520	/nfs/dbraw/zinc/33/05/20/553330520.db2.gz	FHBGAWXSXODUFI-MRXNPFEDSA-N	0	0	506.675	3.177	50	0		KGAARN
COc1ccc(S(=O)(=O)CCCC(=O)N2CCN(c3nc4c(s3)c(OC)ccc4OC)CC2)cc1	ZINC000010218813	553330773	/nfs/dbraw/zinc/33/07/73/553330773.db2.gz	MHRJMGNULYEZEP-UHFFFAOYSA-N	0	0	519.645	3.225	50	0		KGAARN
CCOC(=O)c1ccc(N2C[C@H](C)Cn3c2nc2c3c(=O)n(CCCc3ccccc3)c(=O)n2C)cc1	ZINC000010250433	553330847	/nfs/dbraw/zinc/33/08/47/553330847.db2.gz	FXYIQZOYVAORSX-IBGZPJMESA-N	0	0	501.587	3.494	50	0		KGAARN
CCOC(=O)c1ccc(N2C[C@@H](C)Cn3c2nc2c3c(=O)n(CCCc3ccccc3)c(=O)n2C)cc1	ZINC000010250434	553330818	/nfs/dbraw/zinc/33/08/18/553330818.db2.gz	FXYIQZOYVAORSX-LJQANCHMSA-N	0	0	501.587	3.494	50	0		KGAARN
CCOC(=O)CSc1nnc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCC3)c2)s1	ZINC000010381774	553336040	/nfs/dbraw/zinc/33/60/40/553336040.db2.gz	SMQQZGUIZVGGNL-UHFFFAOYSA-N	0	0	505.043	3.274	50	0		KGAARN
CCN(Cc1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2nc3ccc(S(N)(=O)=O)cc3s2)cc1	ZINC000010708762	553338061	/nfs/dbraw/zinc/33/80/61/553338061.db2.gz	AMOVMGBHDAQBGA-UHFFFAOYSA-N	0	0	530.653	3.407	50	0		KGAARN
CC[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2nc3ccc(S(N)(=O)=O)cc3s2)cc1	ZINC000010708763	553338086	/nfs/dbraw/zinc/33/80/86/553338086.db2.gz	JVJVVLIIIUDCDK-OAHLLOKOSA-N	0	0	508.647	3.149	50	0		KGAARN
CC[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2nc3ccc(S(N)(=O)=O)cc3s2)cc1	ZINC000010708764	553338084	/nfs/dbraw/zinc/33/80/84/553338084.db2.gz	JVJVVLIIIUDCDK-HNNXBMFYSA-N	0	0	508.647	3.149	50	0		KGAARN
COC(=O)c1cc(NC(=O)CSc2nc3n[nH]cc3c(=O)n2-c2ccc(Cl)cc2)cc(C(=O)OC)c1	ZINC000011024242	553338439	/nfs/dbraw/zinc/33/84/39/553338439.db2.gz	IQUFATFUQJASFF-UHFFFAOYSA-N	0	0	527.946	3.066	50	0		KGAARN
Cn1c(=O)c2c(SCC(=O)Nc3ccc(Br)cc3)nc(-c3cccs3)nc2n(C)c1=O	ZINC000011024766	553338390	/nfs/dbraw/zinc/33/83/90/553338390.db2.gz	IEULSHNTWOXQQT-UHFFFAOYSA-N	0	0	518.418	3.249	50	0		KGAARN
COc1ccccc1-n1c(CNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)nnc1SCC(=O)Nc1nccs1	ZINC000011024847	553338450	/nfs/dbraw/zinc/33/84/50/553338450.db2.gz	BLISKEPPEVFXAC-UHFFFAOYSA-N	0	0	613.747	3.178	50	0		KGAARN
COc1ccccc1N(C[C@@H](O)CN(c1ccc(C)cc1)S(C)(=O)=O)S(=O)(=O)c1ccccc1	ZINC000011025505	553338592	/nfs/dbraw/zinc/33/85/92/553338592.db2.gz	BGLUTERAECAOLP-NRFANRHFSA-N	0	0	504.630	3.026	50	0		KGAARN
COc1ccc(Cl)cc1NC(=O)CSc1nnc(NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)s1	ZINC000011025525	553338646	/nfs/dbraw/zinc/33/86/46/553338646.db2.gz	HHVOIULFCHWTNM-UHFFFAOYSA-N	0	0	584.101	3.204	50	0		KGAARN
COc1ccc(C(=O)NCc2nnc(SCC(=O)Nc3nnc(C)s3)n2-c2ccc(OC)cc2)cc1	ZINC000011026236	553338775	/nfs/dbraw/zinc/33/87/75/553338775.db2.gz	UNRGIPWVXWXERA-UHFFFAOYSA-N	0	0	525.616	3.105	50	0		KGAARN
CCOc1ccc(-c2cn3c(nc4c3c(=O)n(C)c(=O)n4C)n2-c2ccc(OC)c(OC)c2)cc1Cl	ZINC000011615669	553339393	/nfs/dbraw/zinc/33/93/93/553339393.db2.gz	XWAZALBCEDEOBV-UHFFFAOYSA-N	0	0	509.950	3.412	50	0		KGAARN
CC(C)OC(=O)OCOP(=O)(CO[C@@H](C)Cn1cnc2c1ncnc2N)OCOC(=O)OC(C)C	ZINC000011616672	553339511	/nfs/dbraw/zinc/33/95/11/553339511.db2.gz	JFVZFKDSXNQEJW-AWEZNQCLSA-N	0	0	519.448	3.036	50	0	in-vitro	KGAARN
CN(C(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)c1nnc(C23CC4CC(CC(C4)C2)C3)s1	ZINC000011667183	553340206	/nfs/dbraw/zinc/34/02/06/553340206.db2.gz	GIYQUYDNALLBEZ-UHFFFAOYSA-N	0	0	502.662	3.303	50	0		KGAARN
CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(C[C@@H]2CCCO2)c1=NC(=O)c1ccc(C)cc1	ZINC000011690706	1060000848	/nfs/dbraw/zinc/00/08/48/1060000848.db2.gz	XWUXBMCFSFWDTP-FQEVSTJZSA-N	0	0	500.555	3.363	50	0		KGAARN
CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(C[C@H]2CCCO2)c1=NC(=O)c1cccc(C)c1	ZINC000011690711	1060000871	/nfs/dbraw/zinc/00/08/71/1060000871.db2.gz	JXTKXGVUARQYAN-HXUWFJFHSA-N	0	0	500.555	3.363	50	0		KGAARN
C=C/C=C\OCC(=O)N=c1c(C(=O)OCC)cc2c(nc3c(C)cccn3c2=O)n1CCCOC(C)C	ZINC000011690780	1060000824	/nfs/dbraw/zinc/00/08/24/1060000824.db2.gz	DCPZKKZAWMEQMW-QSXSOYOXSA-N	0	0	508.575	3.093	50	0		KGAARN
CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(CCCOC)c1=NC(=O)/C=C/c1ccccc1	ZINC000011690810	1060000802	/nfs/dbraw/zinc/00/08/02/1060000802.db2.gz	KBRISHBHRHVZQP-HMOSZCIKSA-N	0	0	500.555	3.312	50	0		KGAARN
CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(C[C@H]2CCCO2)c1=NC(=O)c1cccc(F)c1	ZINC000011690816	1060000914	/nfs/dbraw/zinc/00/09/14/1060000914.db2.gz	COWHMTNHHKXIBU-LJQANCHMSA-N	0	0	504.518	3.194	50	0		KGAARN
CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(CCCOC)c1=NC(=O)c1c(F)cccc1F	ZINC000011690828	1060000926	/nfs/dbraw/zinc/00/09/26/1060000926.db2.gz	JWAXKZWRNOPCAX-UHFFFAOYSA-N	0	0	510.497	3.190	50	0		KGAARN
CCCCn1c2nc3c(C)cccn3c(=O)c2cc(C(=O)OCC)c1=NC(=O)c1ccc2c(c1)OCO2	ZINC000011690839	1060000891	/nfs/dbraw/zinc/00/08/91/1060000891.db2.gz	AHMXEXCHSIONHL-UHFFFAOYSA-N	0	0	502.527	3.404	50	0		KGAARN
CCCCn1c2nc3ccccn3c(=O)c2cc(C(=O)OCC)c1=NC(=O)c1cc(OC)cc(OC)c1	ZINC000011691037	1060001275	/nfs/dbraw/zinc/00/12/75/1060001275.db2.gz	LSJZIXVQZUQXEU-UHFFFAOYSA-N	0	0	504.543	3.384	50	0		KGAARN
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CC(C)C)c1=NC(=O)c1ccc(OC)cc1OC	ZINC000011691060	1060001129	/nfs/dbraw/zinc/00/11/29/1060001129.db2.gz	MBXFYZBQUMQDGD-UHFFFAOYSA-N	0	0	504.543	3.240	50	0		KGAARN
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CC(C)C)c1=NC(=O)c1cc(OC)cc(OC)c1	ZINC000011691073	1060001250	/nfs/dbraw/zinc/00/12/50/1060001250.db2.gz	MJLYUDKWPCRJLH-UHFFFAOYSA-N	0	0	504.543	3.240	50	0		KGAARN
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CC(C)C)c1=NC(=O)c1cccc(OC)c1OC	ZINC000011691074	1060001299	/nfs/dbraw/zinc/00/12/99/1060001299.db2.gz	NDESWNWSIXVVLX-UHFFFAOYSA-N	0	0	504.543	3.240	50	0		KGAARN
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CC(C)C)c1=NC(=O)c1ccc(OC)c(OC)c1	ZINC000011691075	1060001176	/nfs/dbraw/zinc/00/11/76/1060001176.db2.gz	XFRHMJZZTQGXST-UHFFFAOYSA-N	0	0	504.543	3.240	50	0		KGAARN
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CCCOC)c1=NC(=O)c1c(F)cccc1Cl	ZINC000011691145	1060001199	/nfs/dbraw/zinc/00/11/99/1060001199.db2.gz	CWINADLAADJXHP-UHFFFAOYSA-N	0	0	512.925	3.396	50	0		KGAARN
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(Cc2ccco2)c1=NC(=O)c1ccc([N+](=O)[O-])cc1	ZINC000011691194	1060001153	/nfs/dbraw/zinc/00/11/53/1060001153.db2.gz	AZXIDKLSEQPROB-UHFFFAOYSA-N	0	0	513.466	3.117	50	0		KGAARN
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(Cc2ccco2)c1=NC(=O)c1cccc([N+](=O)[O-])c1	ZINC000011691195	1060001224	/nfs/dbraw/zinc/00/12/24/1060001224.db2.gz	YYMNIVJGSZGKRI-UHFFFAOYSA-N	0	0	513.466	3.117	50	0		KGAARN
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(Cc2ccco2)c1=NC(=O)c1c(F)cccc1F	ZINC000011691209	1060001613	/nfs/dbraw/zinc/00/16/13/1060001613.db2.gz	GQJZZLXTKUGSJG-UHFFFAOYSA-N	0	0	504.449	3.487	50	0		KGAARN
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C[C@@H]2CCCO2)c1=NC(=O)c1c(F)cccc1F	ZINC000011691269	1060001570	/nfs/dbraw/zinc/00/15/70/1060001570.db2.gz	VVNANPOERQJQPH-HNNXBMFYSA-N	0	0	508.481	3.024	50	0		KGAARN
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C[C@H]2CCCO2)c1=NC(=O)c1c(F)cccc1F	ZINC000011691270	1060001654	/nfs/dbraw/zinc/00/16/54/1060001654.db2.gz	VVNANPOERQJQPH-OAHLLOKOSA-N	0	0	508.481	3.024	50	0		KGAARN
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C[C@@H]2CCCO2)c1=NC(=O)c1ccc(C)c(C)c1	ZINC000011691271	1060001591	/nfs/dbraw/zinc/00/15/91/1060001591.db2.gz	YMCATKKQDDFMCQ-FQEVSTJZSA-N	0	0	500.555	3.363	50	0		KGAARN
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C[C@@H]2CCCO2)c1=NC(=O)c1ccccc1Cl	ZINC000011691279	1060001677	/nfs/dbraw/zinc/00/16/77/1060001677.db2.gz	AAQSDDIQOKMSAU-INIZCTEOSA-N	0	0	506.946	3.399	50	0		KGAARN
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C[C@@H]2CCCO2)c1=NC(=O)c1cccc(Cl)c1	ZINC000011691281	1060001541	/nfs/dbraw/zinc/00/15/41/1060001541.db2.gz	FLUUQBRVPVWPEQ-SFHVURJKSA-N	0	0	506.946	3.399	50	0		KGAARN
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CCCOC)c1=NC(=O)c1cc2ccccc2o1	ZINC000011691356	1060001497	/nfs/dbraw/zinc/00/14/97/1060001497.db2.gz	JSDIXKNJFMKDPK-UHFFFAOYSA-N	0	0	500.511	3.350	50	0		KGAARN
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(Cc2ccco2)c1=NC(=O)c1ccc(F)c(F)c1	ZINC000011691359	1060001635	/nfs/dbraw/zinc/00/16/35/1060001635.db2.gz	AYVBKIYSKPXOJE-UHFFFAOYSA-N	0	0	504.449	3.487	50	0		KGAARN
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C[C@@H]2CCCO2)c1=NC(=O)c1ccc(F)c(F)c1	ZINC000011691360	1060001519	/nfs/dbraw/zinc/00/15/19/1060001519.db2.gz	GKYXTKWNGQDTDY-INIZCTEOSA-N	0	0	508.481	3.024	50	0		KGAARN
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C[C@H]2CCCO2)c1=NC(=O)c1cc2ccccc2o1	ZINC000011691363	1060001924	/nfs/dbraw/zinc/00/19/24/1060001924.db2.gz	ZNQICUNBQKPOIR-GOSISDBHSA-N	0	0	512.522	3.492	50	0		KGAARN
COc1cc([C@@H]2NC(=S)N[C@](O)(C(F)(F)F)C2=C(O)c2ccccc2)cc(Br)c1O	ZINC000011691796	553340614	/nfs/dbraw/zinc/34/06/14/553340614.db2.gz	DSIFNOXVZSIWPY-SUNYJGFJSA-N	0	0	505.312	3.432	50	0		KGAARN
CCN1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4C[C@H](C)C[C@@H](C)C4)cc3)c2C(N)=O)C1	ZINC000011726317	553340837	/nfs/dbraw/zinc/34/08/37/553340837.db2.gz	SHSCKCJBUJSNRV-HZPDHXFCSA-N	0	0	504.678	3.144	50	0		KGAARN
CCOC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)Nc3nnc(-c4ccccc4Cl)o3)cc2)CC1	ZINC000011726326	553340850	/nfs/dbraw/zinc/34/08/50/553340850.db2.gz	RPVSMVPKKQZUIN-UHFFFAOYSA-N	0	0	519.967	3.105	50	0		KGAARN
CCOC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)Nc3nc4c(s3)c(C)ccc4OC)cc2)CC1	ZINC000011726451	553340859	/nfs/dbraw/zinc/34/08/59/553340859.db2.gz	ZZBGASSNPFKQGW-UHFFFAOYSA-N	0	0	518.617	3.328	50	0		KGAARN
CCOC(=O)N1CCN(C(=O)CSc2nc3c(c(=O)n2-c2cc(C)cc(C)c2)S[C@H](C)C3)CC1	ZINC000011726666	553340925	/nfs/dbraw/zinc/34/09/25/553340925.db2.gz	GSHGUFCGLBYMJD-QGZVFWFLSA-N	0	0	502.662	3.279	50	0		KGAARN
CCOC(=O)N1CCN(C(=O)CSc2nc3c(c(=O)n2-c2cc(C)cc(C)c2)S[C@@H](C)C3)CC1	ZINC000011726667	553341014	/nfs/dbraw/zinc/34/10/14/553341014.db2.gz	GSHGUFCGLBYMJD-KRWDZBQOSA-N	0	0	502.662	3.279	50	0		KGAARN
CCSc1nnc(NC(=O)CSc2nnc(CNC(=O)COc3ccc(Cl)cc3)o2)s1	ZINC000011726711	553340993	/nfs/dbraw/zinc/34/09/93/553340993.db2.gz	VYYGJUCIEUJRTG-UHFFFAOYSA-N	0	0	501.015	3.113	50	0		KGAARN
O=C(c1ccc(S(=O)(=O)N2CCOCC2)cc1)N1CCN=C1SCc1ccc(Br)cc1	ZINC000011757699	553340920	/nfs/dbraw/zinc/34/09/20/553340920.db2.gz	OJIKWOSGNCLVAL-UHFFFAOYSA-N	0	0	524.462	3.215	50	0		KGAARN
O=C(c1ccc(S(=O)(=O)N2CCOCC2)cc1)N1CCN=C1SCc1cccc(C(F)(F)F)c1	ZINC000011757731	553340922	/nfs/dbraw/zinc/34/09/22/553340922.db2.gz	RPOACTRIFRVGQF-UHFFFAOYSA-N	0	0	513.563	3.472	50	0		KGAARN
CCOC(=O)c1nn(-c2ccccc2)c(=O)c2c1csc2NC(=O)c1ccc(S(=O)(=O)N(C)C)cc1	ZINC000011757895	553341008	/nfs/dbraw/zinc/34/10/08/553341008.db2.gz	KFOVFGZOHLRBDY-UHFFFAOYSA-N	0	0	526.596	3.127	50	0		KGAARN
CCOC(=O)c1nn(-c2ccc(C)cc2)c(=O)c2c1csc2NC(=O)c1ccc(S(=O)(=O)N(C)C)cc1	ZINC000011757904	553341181	/nfs/dbraw/zinc/34/11/81/553341181.db2.gz	YPZJTOZUQUGUFN-UHFFFAOYSA-N	0	0	540.623	3.435	50	0		KGAARN
CCOC(=O)c1nn(-c2ccc(C)cc2)c(=O)c2c1csc2NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1	ZINC000011757908	553341185	/nfs/dbraw/zinc/34/11/85/553341185.db2.gz	WLRCUJRGSKCCDS-UHFFFAOYSA-N	0	0	582.660	3.206	50	0		KGAARN
CCOC(=O)c1nn(-c2ccc(F)cc2)c(=O)c2c1csc2NC(=O)c1ccc(S(=O)(=O)N(C)C)cc1	ZINC000011757924	553341184	/nfs/dbraw/zinc/34/11/84/553341184.db2.gz	WFNKZFIEPRSPJY-UHFFFAOYSA-N	0	0	544.586	3.266	50	0		KGAARN
CCOC(=O)c1nn(-c2ccc(OC)cc2)c(=O)c2c1csc2NC(=O)c1ccc(S(=O)(=O)N(C)C)cc1	ZINC000011758000	553341771	/nfs/dbraw/zinc/34/17/71/553341771.db2.gz	FAIPQFKBJOLUAE-UHFFFAOYSA-N	0	0	556.622	3.135	50	0		KGAARN
COc1ccc(Cl)cc1NC(=O)CSc1nnc(Cc2cc(=O)[nH]c(=O)[nH]2)n1-c1cc(C)ccc1C	ZINC000011758014	553341720	/nfs/dbraw/zinc/34/17/20/553341720.db2.gz	MSFKTIBPEZGYEX-UHFFFAOYSA-N	0	0	527.006	3.244	50	0		KGAARN
CCOc1ccc(-n2c(Cc3cc(=O)[nH]c(=O)[nH]3)nnc2SCC(=O)Nc2cccc(C(F)(F)F)c2)cc1	ZINC000011758016	553341704	/nfs/dbraw/zinc/34/17/04/553341704.db2.gz	COEQMDBQFIKYQG-UHFFFAOYSA-N	0	0	546.531	3.383	50	0		KGAARN
COc1ccc(-c2nc(SCC(=O)Nc3c(C)cc(C)cc3C)c3c(=O)n(C)c(=O)n(C)c3n2)cc1	ZINC000011758128	553341709	/nfs/dbraw/zinc/34/17/09/553341709.db2.gz	OPBYFAYCOZBILL-UHFFFAOYSA-N	0	0	505.600	3.359	50	0		KGAARN
COc1ccc(-c2nc(SCC(=O)Nc3ccc(Br)cc3)c3c(=O)n(C)c(=O)n(C)c3n2)cc1	ZINC000011758132	553341874	/nfs/dbraw/zinc/34/18/74/553341874.db2.gz	NHRNMXHYPWEBNK-UHFFFAOYSA-N	0	0	542.415	3.196	50	0		KGAARN
COc1ccc(-c2nc(SCC(=O)Nc3ccc(C)c(Cl)c3)c3c(=O)n(C)c(=O)n(C)c3n2)cc1	ZINC000011758134	553341832	/nfs/dbraw/zinc/34/18/32/553341832.db2.gz	AETGRIJGKPYGQD-UHFFFAOYSA-N	0	0	511.991	3.395	50	0		KGAARN
COc1ccc(-c2nc(SCC(=O)Nc3cc(Cl)ccc3OC)c3c(=O)n(C)c(=O)n(C)c3n2)cc1	ZINC000011758135	553341797	/nfs/dbraw/zinc/34/17/97/553341797.db2.gz	QASVMJUROBAUIH-UHFFFAOYSA-N	0	0	527.990	3.096	50	0		KGAARN
COc1ccc(-c2nc(SCC(=O)Nc3ccccc3C(F)(F)F)c3c(=O)n(C)c(=O)n(C)c3n2)cc1	ZINC000011758143	553341802	/nfs/dbraw/zinc/34/18/02/553341802.db2.gz	IEZDNSQBUHIMPC-UHFFFAOYSA-N	0	0	531.516	3.452	50	0		KGAARN
COc1ccc(-c2nc(SCC(=O)Nc3cccc(C(F)(F)F)c3)c3c(=O)n(C)c(=O)n(C)c3n2)cc1	ZINC000011758144	553341835	/nfs/dbraw/zinc/34/18/35/553341835.db2.gz	MIEYDNCJLGRJLQ-UHFFFAOYSA-N	0	0	531.516	3.452	50	0		KGAARN
COc1ccc(-c2nc(SCC(=O)Nc3ccc(C(F)(F)F)cc3)c3c(=O)n(C)c(=O)n(C)c3n2)cc1	ZINC000011758145	553341846	/nfs/dbraw/zinc/34/18/46/553341846.db2.gz	TWYYYSJBQHZXOU-UHFFFAOYSA-N	0	0	531.516	3.452	50	0		KGAARN
COc1ccc(-c2nc(SCC(=O)Nc3ccc(OC(F)(F)F)cc3)c3c(=O)n(C)c(=O)n(C)c3n2)cc1	ZINC000011758147	553341853	/nfs/dbraw/zinc/34/18/53/553341853.db2.gz	LVUHNDFEEDYFCC-UHFFFAOYSA-N	0	0	547.515	3.332	50	0		KGAARN
Cn1c(=O)c2c(SCC(=O)N3CCC(Cc4ccccc4)CC3)nc(-c3ccc(F)cc3)nc2n(C)c1=O	ZINC000011758175	553341816	/nfs/dbraw/zinc/34/18/16/553341816.db2.gz	YPSPZGKRMLHIPT-UHFFFAOYSA-N	0	0	533.629	3.407	50	0		KGAARN
Cn1c(=O)c2c(SCC(=O)Nc3ccc(Br)cc3)nc(-c3ccc(F)cc3)nc2n(C)c1=O	ZINC000011758187	553341820	/nfs/dbraw/zinc/34/18/20/553341820.db2.gz	SENURVPEABQZSA-UHFFFAOYSA-N	0	0	530.379	3.327	50	0		KGAARN
COc1ccc(Cl)cc1NC(=O)CSc1nc(-c2ccc(F)cc2)nc2c1c(=O)n(C)c(=O)n2C	ZINC000011758191	553341838	/nfs/dbraw/zinc/34/18/38/553341838.db2.gz	ALXKRKCKEZPQDS-UHFFFAOYSA-N	0	0	515.954	3.226	50	0		KGAARN
Cn1c(=O)c2c(SCC(=O)Nc3ccc(OC(F)(F)F)cc3)nc(-c3ccc(F)cc3)nc2n(C)c1=O	ZINC000011758199	553342094	/nfs/dbraw/zinc/34/20/94/553342094.db2.gz	JZOSEBYCHZQBLM-UHFFFAOYSA-N	0	0	535.479	3.463	50	0		KGAARN
Cc1ccc2nc(NC(=O)CSc3nc(-c4ccc(F)cc4)nc4c3c(=O)n(C)c(=O)n4C)sc2c1	ZINC000011758202	553342082	/nfs/dbraw/zinc/34/20/82/553342082.db2.gz	XORZWTPZAJHKKQ-UHFFFAOYSA-N	0	0	522.587	3.482	50	0		KGAARN
COc1ccc(Cl)cc1NC(=O)CSc1nc(-c2cccs2)nc2c1c(=O)n(C)c(=O)n2C	ZINC000011758310	553342105	/nfs/dbraw/zinc/34/21/05/553342105.db2.gz	LUUKVRTXFCFOQG-UHFFFAOYSA-N	0	0	503.993	3.149	50	0		KGAARN
Cn1c(=O)c2c(SCC(=O)Nc3ccc(OC(F)(F)F)cc3)nc(-c3cccs3)nc2n(C)c1=O	ZINC000011758314	553342228	/nfs/dbraw/zinc/34/22/28/553342228.db2.gz	GUCISCXDJDOYAQ-UHFFFAOYSA-N	0	0	523.518	3.385	50	0		KGAARN
Cc1ccc2nc(NC(=O)CSc3nc(-c4cccs4)nc4c3c(=O)n(C)c(=O)n4C)sc2c1	ZINC000011758318	553342233	/nfs/dbraw/zinc/34/22/33/553342233.db2.gz	JSJUETQPZNMRBE-UHFFFAOYSA-N	0	0	510.626	3.405	50	0		KGAARN
CCOC(=O)N1CCN(C(=O)CSc2nnc(Cn3c4ccccc4sc3=O)n2CCc2ccccc2)CC1	ZINC000011758357	553342170	/nfs/dbraw/zinc/34/21/70/553342170.db2.gz	IVJWVTDRKAOONU-UHFFFAOYSA-N	0	0	566.709	3.338	50	0		KGAARN
CCOC(=O)CNC(=O)CSc1nnc(Cn2c3ccccc3sc2=O)n1-c1cccc(C(F)(F)F)c1	ZINC000011758381	553342182	/nfs/dbraw/zinc/34/21/82/553342182.db2.gz	TYLXUBYDJLUBNE-UHFFFAOYSA-N	0	0	551.572	3.482	50	0		KGAARN
COC(=O)c1nnn([C@H]2C[C@@H](C(=O)Nc3cccc(SC)c3)N(Cc3ccc(F)c(F)c3)C2)c1C(=O)OC	ZINC000011783331	553342408	/nfs/dbraw/zinc/34/24/08/553342408.db2.gz	YOIAHWDAVYFXEB-JXFKEZNVSA-N	0	0	545.568	3.306	50	0		KGAARN
COC(=O)c1cn([C@@H]2C[C@@H](C(=O)N3CCN(c4ccccc4)CC3)N(Cc3ccc(C(C)C)cc3)C2)nn1	ZINC000011785458	553342690	/nfs/dbraw/zinc/34/26/90/553342690.db2.gz	ONNIWAMBXDHYRV-VPUSJEBWSA-N	0	0	516.646	3.353	50	0		KGAARN
O=C(c1ccco1)N1CCN(C(=O)C2CCN(c3cccc4c3C(=O)N(Cc3cccc(F)c3)C4=O)CC2)CC1	ZINC000011786236	553342791	/nfs/dbraw/zinc/34/27/91/553342791.db2.gz	PTLXOCVYHKCLLQ-UHFFFAOYSA-N	0	0	544.583	3.416	50	0		KGAARN
COC(=O)c1nnn([C@H]2C[C@@H](C(=O)Nc3cccc(SC)c3)N(CCCc3ccccc3)C2)c1C(=O)OC	ZINC000011787805	553342793	/nfs/dbraw/zinc/34/27/93/553342793.db2.gz	IFIVJOGZKDAQTA-UNMCSNQZSA-N	0	0	537.642	3.460	50	0		KGAARN
COc1ccc(CCN(C)C(=O)[C@@H]2CCCN(c3cccc4c3C(=O)N(C[C@@H]3CCCO3)C4=O)C2)cc1OC	ZINC000011791104	553343282	/nfs/dbraw/zinc/34/32/82/553343282.db2.gz	NSYDYSJMBSGDCE-YADHBBJMSA-N	0	0	535.641	3.396	50	0		KGAARN
COc1ccc(CCN(C)C(=O)[C@H]2CCCN(c3cccc4c3C(=O)N(C[C@@H]3CCCO3)C4=O)C2)cc1OC	ZINC000011791105	553343347	/nfs/dbraw/zinc/34/33/47/553343347.db2.gz	NSYDYSJMBSGDCE-VXKWHMMOSA-N	0	0	535.641	3.396	50	0		KGAARN
COC(=O)c1cn([C@H]2C[C@@H](C(=O)Nc3cccc(SC)c3)N(Cc3ccc(NC(C)=O)cc3)C2)nn1	ZINC000011814066	553343455	/nfs/dbraw/zinc/34/34/55/553343455.db2.gz	DWMYQNKCCLJXRP-REWPJTCUSA-N	0	0	508.604	3.199	50	0		KGAARN
CSc1ccc(N2C(=O)c3cccc(N4CCC(C(=O)N5CCC[C@@H](C(N)=O)C5)CC4)c3C2=O)cc1	ZINC000011841314	553343793	/nfs/dbraw/zinc/34/37/93/553343793.db2.gz	HTBXIVWAZPVJIL-GOSISDBHSA-N	0	0	506.628	3.149	50	0		KGAARN
CSc1ccc(N2C(=O)c3cccc(N4CCC(C(=O)N5CCC[C@H](C(N)=O)C5)CC4)c3C2=O)cc1	ZINC000011841316	553343719	/nfs/dbraw/zinc/34/37/19/553343719.db2.gz	HTBXIVWAZPVJIL-SFHVURJKSA-N	0	0	506.628	3.149	50	0		KGAARN
COCCN1C(=O)c2cccc(N3CCC(C(=O)N4CCN(c5ccc(C)cc5C)CC4)CC3)c2C1=O	ZINC000011841585	553343768	/nfs/dbraw/zinc/34/37/68/553343768.db2.gz	MMWOHURZVCJYKH-UHFFFAOYSA-N	0	0	504.631	3.111	50	0		KGAARN
COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)Nc2nc(-c3ccc(OC)cc3OC)cs2)cc1	ZINC000011852158	553344158	/nfs/dbraw/zinc/34/41/58/553344158.db2.gz	HRVBOAGGMKYEOL-UHFFFAOYSA-N	0	0	535.644	3.363	50	0		KGAARN
COc1cc(C(=O)NCc2nnc(SCC(=O)Nc3nccs3)n2-c2ccccc2)cc(OC)c1OC	ZINC000011852254	553344422	/nfs/dbraw/zinc/34/44/22/553344422.db2.gz	GGCAYDTZTQBEMJ-UHFFFAOYSA-N	0	0	540.627	3.410	50	0		KGAARN
COc1ccc(NC(=O)CSc2nnc(CNC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)n2-c2ccccc2)cc1	ZINC000011852279	553344681	/nfs/dbraw/zinc/34/46/81/553344681.db2.gz	NTTMYBHWTOYPTJ-UHFFFAOYSA-N	0	0	580.692	3.187	50	0		KGAARN
CCSc1nnc(NC(=O)CSc2nnc(CNC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)n2-c2ccccc2)s1	ZINC000011852281	553344673	/nfs/dbraw/zinc/34/46/73/553344673.db2.gz	CJNBYPGEQUKPDW-UHFFFAOYSA-N	0	0	618.792	3.142	50	0		KGAARN
CN(C)S(=O)(=O)c1ccc(C(=O)Nc2nc(-c3csc(NC(=O)c4ccc(S(=O)(=O)N(C)C)cc4)n3)cs2)cc1	ZINC000011852367	553344812	/nfs/dbraw/zinc/34/48/12/553344812.db2.gz	QBZNKCZYQWDLDX-UHFFFAOYSA-N	0	0	620.760	3.272	50	0		KGAARN
COc1ccc(OC)c(-n2c(CNC(=O)COc3ccccc3)nnc2SCC(=O)Nc2nccs2)c1	ZINC000011852480	553345122	/nfs/dbraw/zinc/34/51/22/553345122.db2.gz	RUXPKSXJANBDPO-UHFFFAOYSA-N	0	0	540.627	3.167	50	0		KGAARN
COc1ccc(-c2csc(NC(=S)NC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)n2)cc1OC	ZINC000011852721	553345565	/nfs/dbraw/zinc/34/55/65/553345565.db2.gz	YTCXQZSSWJIECX-UHFFFAOYSA-N	0	0	506.631	3.204	50	0		KGAARN
CCOC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)Nc3nc4ccc(OC)cc4s3)cc2)CC1	ZINC000011852930	553346082	/nfs/dbraw/zinc/34/60/82/553346082.db2.gz	GTHZWGITNDWQKJ-UHFFFAOYSA-N	0	0	504.590	3.020	50	0		KGAARN
CCOC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)Nc3nc4c(cccc4OC)s3)cc2)CC1	ZINC000011852931	553346052	/nfs/dbraw/zinc/34/60/52/553346052.db2.gz	CLDKQWJBGCJTSE-UHFFFAOYSA-N	0	0	504.590	3.020	50	0		KGAARN
CCOC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)Nc3nc4ccc(OCC)cc4s3)cc2)CC1	ZINC000011852932	553346077	/nfs/dbraw/zinc/34/60/77/553346077.db2.gz	CIXUUKOHSLFTAR-UHFFFAOYSA-N	0	0	518.617	3.410	50	0		KGAARN
CCOC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)NC(=S)N=c3sc4cc(Br)ccc4n3C)cc2)CC1	ZINC000011852943	553346060	/nfs/dbraw/zinc/34/60/60/553346060.db2.gz	HJYSZBFJTKPJFG-ROMGYVFFSA-N	0	0	626.580	3.081	50	0		KGAARN
CCOC(=O)c1c2c(sc1NC(=O)c1ccc(S(=O)(=O)N3CCN(C(=O)OCC)CC3)cc1)CCC2	ZINC000011852966	553346245	/nfs/dbraw/zinc/34/62/45/553346245.db2.gz	RSOUASQFOYAMNJ-UHFFFAOYSA-N	0	0	535.644	3.129	50	0		KGAARN
CCOC(=O)c1c(C)c(OC(=O)CC)sc1NC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)OCC)CC2)cc1	ZINC000011852971	553346202	/nfs/dbraw/zinc/34/62/02/553346202.db2.gz	FLMLYIMRRYUXLX-UHFFFAOYSA-N	0	0	581.669	3.264	50	0		KGAARN
CCOC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)Nc3c4ccccc4sc3C(=O)OC)cc2)CC1	ZINC000011852983	553346380	/nfs/dbraw/zinc/34/63/80/553346380.db2.gz	UXEGKGYHZOBAAG-UHFFFAOYSA-N	0	0	531.612	3.403	50	0		KGAARN
COc1ccc(Br)cc1S(=O)(=O)N1CCN(S(=O)(=O)c2cc(Br)ccc2OC)[C@@H](C)C1	ZINC000011853145	553346393	/nfs/dbraw/zinc/34/63/93/553346393.db2.gz	NVRNJQDBJWPESF-ZDUSSCGKSA-N	0	0	598.335	3.313	50	0		KGAARN
CCc1cc(=O)oc2c(C)c(OCC(=O)Nc3cc(S(=O)(=O)N4CCOCC4)ccc3C)ccc12	ZINC000011866531	553347006	/nfs/dbraw/zinc/34/70/06/553347006.db2.gz	RFFSGZWUQPBRGH-UHFFFAOYSA-N	0	0	500.573	3.011	50	0		KGAARN
CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)COc1ccc2c(C)c(CC(=O)OC)c(=O)oc2c1	ZINC000011866770	553346987	/nfs/dbraw/zinc/34/69/87/553346987.db2.gz	FZLXLWIRTOJRIW-UHFFFAOYSA-N	0	0	554.596	3.468	50	0		KGAARN
CSCC[C@H](NC(=O)COc1ccc2c(C)c(C)c(=O)oc2c1)C(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1	ZINC000011867020	553347189	/nfs/dbraw/zinc/34/71/89/553347189.db2.gz	ZYUIOQKHOLFHGB-SWGGMNADSA-N	0	0	516.660	3.180	50	0		KGAARN
CSCC[C@H](NC(=O)COc1ccc2c(C)c(C)c(=O)oc2c1)C(=O)N1CC[C@]2(O)CCCC[C@@H]2C1	ZINC000011867021	553347175	/nfs/dbraw/zinc/34/71/75/553347175.db2.gz	ZYUIOQKHOLFHGB-JTPXSGRQSA-N	0	0	516.660	3.180	50	0		KGAARN
CSCC[C@H](NC(=O)COc1ccc2c(C)c(C)c(=O)oc2c1)C(=O)N1CC[C@@]2(O)CCCC[C@H]2C1	ZINC000011867022	553347146	/nfs/dbraw/zinc/34/71/46/553347146.db2.gz	ZYUIOQKHOLFHGB-JNMBUGSCSA-N	0	0	516.660	3.180	50	0		KGAARN
CSCC[C@H](NC(=O)COc1ccc2c(C)c(C)c(=O)oc2c1)C(=O)N1CC[C@]2(O)CCCC[C@H]2C1	ZINC000011867023	553347150	/nfs/dbraw/zinc/34/71/50/553347150.db2.gz	ZYUIOQKHOLFHGB-FBIATWESSA-N	0	0	516.660	3.180	50	0		KGAARN
Cc1c2ccc(OCC(=O)NCC(=O)N3CC[C@@]4(O)CCCC[C@@H]4C3)cc2oc(=O)c1Cc1ccccc1	ZINC000011867039	553347288	/nfs/dbraw/zinc/34/72/88/553347288.db2.gz	IBWNNXVKFROASK-RCRUUEGKSA-N	0	0	518.610	3.341	50	0	biogenic	KGAARN
Cc1c2ccc(OCC(=O)NCC(=O)N3CC[C@]4(O)CCCC[C@H]4C3)cc2oc(=O)c1Cc1ccccc1	ZINC000011867040	553347281	/nfs/dbraw/zinc/34/72/81/553347281.db2.gz	IBWNNXVKFROASK-SMSORMJASA-N	0	0	518.610	3.341	50	0	biogenic	KGAARN
COc1ccc(OCC(=O)N2CCN(c3cccc4c3C(=O)N(Cc3cccc(F)c3)C4=O)CC2)cc1	ZINC000011881601	1059558048	/nfs/dbraw/zinc/55/80/48/1059558048.db2.gz	KSECKXVGFOJJEA-UHFFFAOYSA-N	0	0	503.530	3.358	50	0		KGAARN
COCCCN1C(=O)c2cccc(N3CCC[C@@H](C(=O)N(C)CCc4ccc(OC)c(OC)c4)C3)c2C1=O	ZINC000011881949	553348564	/nfs/dbraw/zinc/34/85/64/553348564.db2.gz	QIKHEMCJQRMXCA-OAQYLSRUSA-N	0	0	523.630	3.254	50	0		KGAARN
COCCCN1C(=O)c2cccc(N3CCC[C@H](C(=O)N(C)CCc4ccc(OC)c(OC)c4)C3)c2C1=O	ZINC000011881950	553348511	/nfs/dbraw/zinc/34/85/11/553348511.db2.gz	QIKHEMCJQRMXCA-NRFANRHFSA-N	0	0	523.630	3.254	50	0		KGAARN
COc1ccccc1CC(=O)N1CCN(c2cccc3c2C(=O)N(Cc2cccc(OC)c2OC)C3=O)CC1	ZINC000011964922	553349748	/nfs/dbraw/zinc/34/97/48/553349748.db2.gz	GVYNWLNMBXLLES-UHFFFAOYSA-N	0	0	529.593	3.400	50	0		KGAARN
COc1cc2c(cc1OC)CN(C(=O)C1CCN(c3cccc4c3C(=O)N(C[C@@H]3CCCO3)C4=O)CC1)CC2	ZINC000011966324	553349798	/nfs/dbraw/zinc/34/97/98/553349798.db2.gz	SJFCNKLHEGRQIU-QFIPXVFZSA-N	0	0	533.625	3.280	50	0		KGAARN
COc1cc2c(cc1OC)CN(C(=O)C1CCN(c3cccc4c3C(=O)N(C[C@H]3CCCO3)C4=O)CC1)CC2	ZINC000011966326	553349767	/nfs/dbraw/zinc/34/97/67/553349767.db2.gz	SJFCNKLHEGRQIU-JOCHJYFZSA-N	0	0	533.625	3.280	50	0		KGAARN
COc1ccc2cc(CN(CCCN3CCCC3=O)C(=O)c3csc(C)n3)c(N3CCOCC3)nc2c1	ZINC000011970928	1059558071	/nfs/dbraw/zinc/55/80/71/1059558071.db2.gz	YKJUHWBJRPXSGM-UHFFFAOYSA-N	0	0	523.659	3.500	50	0		KGAARN
COC(=O)c1nnn([C@H]2C[C@@H](C(=O)Nc3cccc(SC)c3)N(Cc3ccc(C)s3)C2)c1C(=O)OC	ZINC000011975989	553349786	/nfs/dbraw/zinc/34/97/86/553349786.db2.gz	SBAKIKIICOGECB-LPHOPBHVSA-N	0	0	529.644	3.397	50	0		KGAARN
O=C([C@@H]1CCCO1)N(CCCN1CCCC1=O)Cc1cc2cc3c(cc2nc1N1CCOCC1)CCC3	ZINC000011999640	1059557794	/nfs/dbraw/zinc/55/77/94/1059557794.db2.gz	IRGIWCMKQWJTGQ-SANMLTNESA-N	0	0	506.647	3.080	50	0		KGAARN
COC(=O)c1cn([C@@H]2C[C@@H](C(=O)NCc3cccc(C(F)(F)F)c3)N(Cc3ccccc3OC)C2)nn1	ZINC000012005014	553349905	/nfs/dbraw/zinc/34/99/05/553349905.db2.gz	XDVDSNFDVKZIQS-CTNGQTDRSA-N	0	0	517.508	3.224	50	0		KGAARN
COC(=O)c1cn([C@@H]2C[C@@H](C(=O)NCc3cccc(C(F)(F)F)c3)N(Cc3ccc(OC)cc3)C2)nn1	ZINC000012005227	553349912	/nfs/dbraw/zinc/34/99/12/553349912.db2.gz	LRXHICVZOFIXAP-KNQAVFIVSA-N	0	0	517.508	3.224	50	0		KGAARN
C[C@@H](CNC(=O)COc1ccc(Br)cc1)NC(=O)COc1ccc(Br)cc1	ZINC000012040136	553350477	/nfs/dbraw/zinc/35/04/77/553350477.db2.gz	FFKBUJGQELOXQS-ZDUSSCGKSA-N	0	0	500.187	3.290	50	0		KGAARN
COC(=O)c1cn([C@@H]2C[C@@H](C(=O)Nc3ccc4c(c3)COC4)N(Cc3cc(C)c(OC)cc3C)C2)nn1	ZINC000012041620	1059558342	/nfs/dbraw/zinc/55/83/42/1059558342.db2.gz	KLBZWAOTTZIATM-VWNXMTODSA-N	0	0	505.575	3.175	50	0		KGAARN
COC(=O)c1cn([C@H]2C[C@@H](C(=O)NCc3cccc(C(F)(F)F)c3)N(Cc3ccc(F)cc3)C2)nn1	ZINC000012056045	553350674	/nfs/dbraw/zinc/35/06/74/553350674.db2.gz	OSLGWCNVYABQKW-FPOVZHCZSA-N	0	0	505.472	3.355	50	0		KGAARN
CSc1ncc(Cl)c(C(=O)Nc2nc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)cs2)n1	ZINC000012062486	553350641	/nfs/dbraw/zinc/35/06/41/553350641.db2.gz	QKMRXXIXROSHNU-UHFFFAOYSA-N	0	0	512.038	3.249	50	0		KGAARN
O=C(COc1ccc(Cl)cc1)NCCn1ncc2c1ncn(Cc1ccc(Br)cc1)c2=O	ZINC000012071330	553350864	/nfs/dbraw/zinc/35/08/64/553350864.db2.gz	NJHHDTPUPJWACF-UHFFFAOYSA-N	0	0	516.783	3.252	50	0		KGAARN
COc1cc(/C=C\C(=O)NCCn2ncc3c2ncn(Cc2cccc(Cl)c2)c3=O)cc(OC)c1OC	ZINC000012071441	553350816	/nfs/dbraw/zinc/35/08/16/553350816.db2.gz	BIEJHJWYSQWLKE-FPLPWBNLSA-N	0	0	523.977	3.150	50	0		KGAARN
COc1ccc(CN2C[C@H](n3cnnn3)C[C@H]2C(=O)NCc2cccc(C(F)(F)F)c2)c(OC)c1C	ZINC000012099233	553351154	/nfs/dbraw/zinc/35/11/54/553351154.db2.gz	PNQUQZCVJVEEPH-UXHICEINSA-N	0	0	504.513	3.150	50	0		KGAARN
COc1ccccc1CCN1C(=O)c2cccc(N3CCC(C(=O)N(C)Cc4nonc4C)CC3)c2C1=O	ZINC000012099670	553351209	/nfs/dbraw/zinc/35/12/09/553351209.db2.gz	IGYASQGQNQAOAV-UHFFFAOYSA-N	0	0	517.586	3.100	50	0		KGAARN
COc1cc(CN(C(=O)Cn2ccc(C)n2)[C@H]2CCCCNC2=O)ccc1OCCc1scnc1C	ZINC000012131919	1059558845	/nfs/dbraw/zinc/55/88/45/1059558845.db2.gz	RBWFNAZHABCNEY-NRFANRHFSA-N	0	0	511.648	3.284	50	0		KGAARN
CC(=O)N1CCN(C(=O)C2CCN(c3cccc4c3C(=O)N(Cc3ccccc3Cl)C4=O)CC2)CC1	ZINC000012135874	553351749	/nfs/dbraw/zinc/35/17/49/553351749.db2.gz	YBYDVSBEZCIKMH-UHFFFAOYSA-N	0	0	509.006	3.043	50	0		KGAARN
CC1CCN(S(=O)(=O)c2ccc(NC(=S)NC(=O)CCC(=O)OCCc3ccccc3)cc2)CC1	ZINC000012137253	553351897	/nfs/dbraw/zinc/35/18/97/553351897.db2.gz	FCSFOEDGVSMATJ-UHFFFAOYSA-N	0	0	517.673	3.486	50	0		KGAARN
COc1cc2c(cc1OC)[C@@H]1[C@@H](C(=O)N3CCN(C(=O)c4ccco4)CC3)c3ccccc3C(=O)N1CC2	ZINC000012139777	553352062	/nfs/dbraw/zinc/35/20/62/553352062.db2.gz	LTJXKBRUNYMYIV-IZZNHLLZSA-N	0	0	515.566	3.118	50	0		KGAARN
COc1cc2c(cc1OC)[C@H]1[C@@H](C(=O)N3CCN(C(=O)c4ccco4)CC3)c3ccccc3C(=O)N1CC2	ZINC000012139778	553352064	/nfs/dbraw/zinc/35/20/64/553352064.db2.gz	LTJXKBRUNYMYIV-UIOOFZCWSA-N	0	0	515.566	3.118	50	0		KGAARN
COc1cc2c(cc1OC)[C@@H]1[C@H](C(=O)N3CCN(C(=O)c4ccco4)CC3)c3ccccc3C(=O)N1CC2	ZINC000012139779	553352078	/nfs/dbraw/zinc/35/20/78/553352078.db2.gz	LTJXKBRUNYMYIV-CLJLJLNGSA-N	0	0	515.566	3.118	50	0		KGAARN
COc1cc2c(cc1OC)[C@H]1[C@H](C(=O)N3CCN(C(=O)c4ccco4)CC3)c3ccccc3C(=O)N1CC2	ZINC000012139780	553352080	/nfs/dbraw/zinc/35/20/80/553352080.db2.gz	LTJXKBRUNYMYIV-FTJBHMTQSA-N	0	0	515.566	3.118	50	0		KGAARN
COc1cc(CCN2C(=O)c3cccc4cccc(c43)C2=O)c(S(=O)(=O)NC[C@H]2CCCO2)cc1OC	ZINC000012139960	553352044	/nfs/dbraw/zinc/35/20/44/553352044.db2.gz	OGXHGDVYDVLNBD-LJQANCHMSA-N	0	0	524.595	3.153	50	0		KGAARN
CCOc1ccc(CN2C[C@@H](n3cc(C(=O)OC)nn3)C[C@H]2C(=O)NCCc2cccc(Cl)c2)cc1	ZINC000012150791	553352534	/nfs/dbraw/zinc/35/25/34/553352534.db2.gz	VQYDGSRFDCUFSY-URXFXBBRSA-N	0	0	512.010	3.291	50	0		KGAARN
COC(=O)c1cn([C@H]2C[C@@H](C(=O)NCCc3cccc(Cl)c3)N(Cc3ccc4ncccc4c3)C2)nn1	ZINC000012151683	1059558914	/nfs/dbraw/zinc/55/89/14/1059558914.db2.gz	PCDJFAOZDZMYIC-DHLKQENFSA-N	0	0	519.005	3.441	50	0		KGAARN
COc1ccc(S[C@@H]2C[C@@H](C(=O)N[C@@H]3CCS(=O)(=O)C3)N(Cc3ccc(SC)cc3)C2)cc1	ZINC000012156933	553353051	/nfs/dbraw/zinc/35/30/51/553353051.db2.gz	XWDJGVPMRFPTCP-YSZBQJHXSA-N	0	0	506.715	3.456	50	0		KGAARN
COc1ccc(S[C@@H]2C[C@@H](C(=O)N[C@H]3CCS(=O)(=O)C3)N(Cc3ccc(SC)cc3)C2)cc1	ZINC000012156939	553352973	/nfs/dbraw/zinc/35/29/73/553352973.db2.gz	XWDJGVPMRFPTCP-NMNUPHIUSA-N	0	0	506.715	3.456	50	0		KGAARN
COc1cc(CN(C(=O)Cn2nccc2C)[C@H]2CCCCNC2=O)ccc1OCCc1scnc1C	ZINC000012166489	1059558883	/nfs/dbraw/zinc/55/88/83/1059558883.db2.gz	VMXPRCKZUULZHY-NRFANRHFSA-N	0	0	511.648	3.284	50	0		KGAARN
COC(=O)c1cn([C@H]2C[C@@H](C(=O)NCc3cccc(C(F)(F)F)c3)N(Cc3ccccc3OC)C2)nn1	ZINC000012185125	1059558796	/nfs/dbraw/zinc/55/87/96/1059558796.db2.gz	XDVDSNFDVKZIQS-FPOVZHCZSA-N	0	0	517.508	3.224	50	0		KGAARN
NC(=O)[C@@H]1CCCN(C(=O)C2CCN(c3cccc4c3C(=O)N(Cc3ccccc3Cl)C4=O)CC2)C1	ZINC000012217184	553354394	/nfs/dbraw/zinc/35/43/94/553354394.db2.gz	VTTGMVGXNULTJV-LJQANCHMSA-N	0	0	509.006	3.077	50	0		KGAARN
NC(=O)[C@H]1CCCN(C(=O)C2CCN(c3cccc4c3C(=O)N(Cc3ccccc3Cl)C4=O)CC2)C1	ZINC000012217185	553354384	/nfs/dbraw/zinc/35/43/84/553354384.db2.gz	VTTGMVGXNULTJV-IBGZPJMESA-N	0	0	509.006	3.077	50	0		KGAARN
Cc1cc(C)n(CCCNC(=O)[C@@H]2CCCN(c3cccc4c3C(=O)N([C@@H]3CCOC(C)(C)C3)C4=O)C2)n1	ZINC000012217374	553354350	/nfs/dbraw/zinc/35/43/50/553354350.db2.gz	ULTSUGMQKAHROI-FGZHOGPDSA-N	0	0	521.662	3.476	50	0		KGAARN
Cc1cc(C)n(CCCNC(=O)[C@H]2CCCN(c3cccc4c3C(=O)N([C@@H]3CCOC(C)(C)C3)C4=O)C2)n1	ZINC000012217375	553354273	/nfs/dbraw/zinc/35/42/73/553354273.db2.gz	ULTSUGMQKAHROI-FCHUYYIVSA-N	0	0	521.662	3.476	50	0		KGAARN
O=C(c1ccc2c(c1)OCO2)N1CCN(c2cccc3c2C(=O)N(CCc2ccc(F)cc2)C3=O)CC1	ZINC000012218012	1059558779	/nfs/dbraw/zinc/55/87/79/1059558779.db2.gz	BTOLTFKJRPTGIO-UHFFFAOYSA-N	0	0	501.514	3.356	50	0		KGAARN
COC(=O)c1cn([C@H]2C[C@@H](C(=O)NCc3cccc(C(F)(F)F)c3)N(C/C=C/c3ccco3)C2)nn1	ZINC000012219223	553354538	/nfs/dbraw/zinc/35/45/38/553354538.db2.gz	DVCWWCKQBMGJGP-IFHWPTJOSA-N	0	0	503.481	3.322	50	0		KGAARN
CCOC(=O)N1CCN(C(=O)C2CCN(c3cccc4c3C(=O)N(Cc3cccs3)C4=O)CC2)CC1	ZINC000012243897	553354785	/nfs/dbraw/zinc/35/47/85/553354785.db2.gz	ARPJCTODSDWVRO-UHFFFAOYSA-N	0	0	510.616	3.061	50	0		KGAARN
COc1ccc(S[C@@H]2C[C@@H](C(=O)N[C@@H]3CCS(=O)(=O)C3)N(Cc3ccc(OC)c(C)c3)C2)cc1	ZINC000012244451	553354828	/nfs/dbraw/zinc/35/48/28/553354828.db2.gz	PBWGGQQYMJOWLU-PTUXOGIPSA-N	0	0	504.674	3.051	50	0		KGAARN
COc1ccc(S[C@@H]2C[C@@H](C(=O)N[C@H]3CCS(=O)(=O)C3)N(Cc3ccc(OC)c(C)c3)C2)cc1	ZINC000012244452	553354827	/nfs/dbraw/zinc/35/48/27/553354827.db2.gz	PBWGGQQYMJOWLU-PMOQBDJRSA-N	0	0	504.674	3.051	50	0		KGAARN
COc1ccccc1CCNC(=O)[C@@H]1C[C@H](n2cnnn2)CN1Cc1ccc(OCc2ccccc2)cc1	ZINC000012244472	553354746	/nfs/dbraw/zinc/35/47/46/553354746.db2.gz	FQLSWXDCMBPBJP-BDYUSTAISA-N	0	0	512.614	3.435	50	0		KGAARN
CCOc1ccccc1CN1C[C@@H](n2cc(C(=O)OC)nn2)C[C@H]1C(=O)NCCc1cccc(Cl)c1	ZINC000012245124	553355106	/nfs/dbraw/zinc/35/51/06/553355106.db2.gz	WFWRZLYHDFASHY-GMAHTHKFSA-N	0	0	512.010	3.291	50	0		KGAARN
O=C(C1CCN(c2cccc3c2C(=O)N(Cc2cccnc2)C3=O)CC1)N1CCN(c2ccccc2)CC1	ZINC000012246791	553355090	/nfs/dbraw/zinc/35/50/90/553355090.db2.gz	WDWNQHNNTXZWEP-UHFFFAOYSA-N	0	0	509.610	3.443	50	0		KGAARN
COc1cc(CN2C[C@H](n3cnnn3)C[C@H]2C(=O)NCCc2ccccc2)ccc1OCc1ccccc1	ZINC000012281222	553356314	/nfs/dbraw/zinc/35/63/14/553356314.db2.gz	HAVJFTNIYXTXTJ-FTJBHMTQSA-N	0	0	512.614	3.435	50	0		KGAARN
COc1cc(CN(C(=O)c2cc(C)nn2C)[C@H]2CCCCNC2=O)ccc1OCCc1scnc1C	ZINC000012281986	1059559273	/nfs/dbraw/zinc/55/92/73/1059559273.db2.gz	PEUOVZSEJIVLKD-FQEVSTJZSA-N	0	0	511.648	3.435	50	0		KGAARN
COc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4cccc(OC)c4OC)c(=O)n32)cc1	ZINC000012294065	553356981	/nfs/dbraw/zinc/35/69/81/553356981.db2.gz	CQKLTZUKVLMVEH-XOYGFPHKSA-N	0	0	508.596	3.213	50	0		KGAARN
COc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4cccc(OC)c4OC)c(=O)n32)cc1	ZINC000012294067	553356997	/nfs/dbraw/zinc/35/69/97/553356997.db2.gz	CQKLTZUKVLMVEH-YJADQXIJSA-N	0	0	508.596	3.213	50	0		KGAARN
COc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4cc(OC)ccc4OC)c(=O)n32)cc1	ZINC000012294075	553356969	/nfs/dbraw/zinc/35/69/69/553356969.db2.gz	FNQLYXVGOKZZLS-MGSPXPDISA-N	0	0	508.596	3.213	50	0		KGAARN
COc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4cc(OC)ccc4OC)c(=O)n32)cc1	ZINC000012294076	553356967	/nfs/dbraw/zinc/35/69/67/553356967.db2.gz	FNQLYXVGOKZZLS-XPCGLTFESA-N	0	0	508.596	3.213	50	0		KGAARN
CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)CSc1nnc(-c2ccc(C)cc2)n1N	ZINC000012311402	553357351	/nfs/dbraw/zinc/35/73/51/553357351.db2.gz	PXTWPLZHPSGIMW-UHFFFAOYSA-N	0	0	512.636	3.332	50	0		KGAARN
C[C@@H](OC(=O)C1(c2ccc(F)cc2)CCCC1)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1	ZINC000012311487	553357376	/nfs/dbraw/zinc/35/73/76/553357376.db2.gz	ZGPYSFHZEBPGQP-GOSISDBHSA-N	0	0	504.580	3.229	50	0		KGAARN
C[C@H](OC(=O)C1(c2ccc(F)cc2)CCCC1)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1	ZINC000012311488	553357322	/nfs/dbraw/zinc/35/73/22/553357322.db2.gz	ZGPYSFHZEBPGQP-SFHVURJKSA-N	0	0	504.580	3.229	50	0		KGAARN
Cc1ccc(NC=C2C(=O)N(c3nccs3)C(=O)c3ccccc32)cc1S(=O)(=O)N1CCOCC1	ZINC000012311953	1060001987	/nfs/dbraw/zinc/00/19/87/1060001987.db2.gz	MPMWTCFBVSSYGT-HKWRFOASSA-N	0	0	510.597	3.112	50	0		KGAARN
O=C(COC(=O)C1c2ccccc2Oc2ccccc21)Nc1cccc(S(=O)(=O)N2CCOCC2)c1	ZINC000012312200	553358063	/nfs/dbraw/zinc/35/80/63/553358063.db2.gz	BQIPULFYIQDESR-UHFFFAOYSA-N	0	0	508.552	3.127	50	0		KGAARN
Nc1[nH]c(=S)[nH]c(=O)c1C(c1cn(-c2ccccc2)nc1-c1ccccc1)c1c(N)[nH]c(=S)[nH]c1=O	ZINC000012340712	553358751	/nfs/dbraw/zinc/35/87/51/553358751.db2.gz	IEFGWMVBZCOAKE-UHFFFAOYSA-N	0	0	516.612	3.376	50	0		KGAARN
COCCn1c2c(cc(F)cc2F)s/c1=N/C(=O)C1CCN(S(=O)(=O)c2cccs2)CC1	ZINC000012354627	553359260	/nfs/dbraw/zinc/35/92/60/553359260.db2.gz	FFQHJRRRQGAHBV-BSYVCWPDSA-N	0	0	501.602	3.217	50	0		KGAARN
COC(=O)Cn1c2ccc(Cl)cc2s/c1=N/C(=O)C1CCN(S(=O)(=O)c2cccs2)CC1	ZINC000012354631	553359211	/nfs/dbraw/zinc/35/92/11/553359211.db2.gz	DCKUYNMHWXAMKZ-LSDHQDQOSA-N	0	0	514.050	3.119	50	0		KGAARN
O=C(NCc1ccc(CN2CCOCC2)cc1)c1nc(Cn2c3ccccc3nc2C(F)(F)F)no1	ZINC000012360429	553359252	/nfs/dbraw/zinc/35/92/52/553359252.db2.gz	JQHVGYSSHWTTPX-UHFFFAOYSA-N	0	0	500.481	3.249	50	0		KGAARN
COc1ccc(CCNC(=O)c2cc(S(=O)(=O)NC[C@@H]3CCCO3)c(Cl)cc2Cl)cc1OC	ZINC000012371307	553360283	/nfs/dbraw/zinc/36/02/83/553360283.db2.gz	QRNDEIWTAPOIHL-HNNXBMFYSA-N	0	0	517.431	3.440	50	0		KGAARN
COc1ccc(CCNC(=O)c2cc(S(=O)(=O)NC[C@H]3CCCO3)c(Cl)cc2Cl)cc1OC	ZINC000012371308	553360293	/nfs/dbraw/zinc/36/02/93/553360293.db2.gz	QRNDEIWTAPOIHL-OAHLLOKOSA-N	0	0	517.431	3.440	50	0		KGAARN
CS(=O)(=O)N1CCCc2cc(S(=O)(=O)N3CCN(c4ccnc5cc(Cl)ccc54)CC3)ccc21	ZINC000012371830	553360648	/nfs/dbraw/zinc/36/06/48/553360648.db2.gz	GADRTHYPBJRCSY-UHFFFAOYSA-N	0	0	521.064	3.111	50	0		KGAARN
Cc1c(NS(=O)(=O)c2ccc3oc4cc(-n5cnnn5)ccc4c3c2)c(=O)n(-c2ccccc2)n1C	ZINC000012372100	553360679	/nfs/dbraw/zinc/36/06/79/553360679.db2.gz	HUGIKIDEHYJUGT-UHFFFAOYSA-N	0	0	501.528	3.160	50	0		KGAARN
O=S(=O)(CCc1nc(S(=O)(=O)c2ccc(F)cc2)c(N2CCOCC2)o1)c1ccc(Cl)cc1	ZINC000012374492	553360874	/nfs/dbraw/zinc/36/08/74/553360874.db2.gz	VRTIGPRUBFVKFD-UHFFFAOYSA-N	0	0	514.984	3.153	50	0		KGAARN
Nc1c(Cc2c(N)n(CCc3ccccc3)c(=S)[nH]c2=O)c(=O)[nH]c(=S)n1CCc1ccccc1	ZINC000012376348	553361438	/nfs/dbraw/zinc/36/14/38/553361438.db2.gz	HCSCMVYEIOAICT-UHFFFAOYSA-N	0	0	506.657	3.366	50	0		KGAARN
O=C1[C@@H]2CC=C(Cl)C[C@H]2C(=O)N1CN(Cc1ccccc1)CN1C(=O)[C@@H]2CC=C(Cl)C[C@@H]2C1=O	ZINC000012376373	553361418	/nfs/dbraw/zinc/36/14/18/553361418.db2.gz	LUCZBTVPCUMDBT-NCYKPQTJSA-N	0	0	502.398	3.439	50	0		KGAARN
O=C(Nc1ccc(N2CCOCC2)c(S(=O)(=O)N2CCOCC2)c1)c1ccccc1-c1ccccc1	ZINC000012376986	553361705	/nfs/dbraw/zinc/36/17/05/553361705.db2.gz	QDZKCXFRROLDQB-UHFFFAOYSA-N	0	0	507.612	3.463	50	0		KGAARN
CC(C)CNC(=O)c1cccc(NC(=O)c2ccc3c(c2)C(=O)N(N2C(=O)c4ccccc4C2=O)C3=O)c1	ZINC000012382279	553362224	/nfs/dbraw/zinc/36/22/24/553362224.db2.gz	VLPDSBHJLOMOEL-UHFFFAOYSA-N	0	0	510.506	3.132	50	0		KGAARN
CC(C)(C)c1ccc(C(=O)N[C@@]2(C(F)(F)F)C(=O)Nc3c2c(=O)[nH]c(=O)n3Cc2ccccc2)cc1	ZINC000012401062	553362456	/nfs/dbraw/zinc/36/24/56/553362456.db2.gz	WDZPIVROBAKXQK-XMMPIXPASA-N	0	0	500.477	3.022	50	0		KGAARN
CC(C)(C)c1ccc(C(=O)N[C@]2(C(F)(F)F)C(=O)Nc3c2c(=O)[nH]c(=O)n3Cc2ccccc2)cc1	ZINC000012401063	553362463	/nfs/dbraw/zinc/36/24/63/553362463.db2.gz	WDZPIVROBAKXQK-DEOSSOPVSA-N	0	0	500.477	3.022	50	0		KGAARN
COCCOC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@@H](C(=O)OCCOC)[C@H]1c1ccc(F)c(Oc2ccccc2)c1	ZINC000012402137	553362581	/nfs/dbraw/zinc/36/25/81/553362581.db2.gz	CFVOTOSUBYRPIK-VNAWGFGGSA-N	0	0	518.534	3.037	50	0		KGAARN
COC(=O)C1=C(C)N(CCc2ccccc2)C(=O)[C@@]1(NC(=O)c1ccc(OC)c(OC)c1)C(F)(F)F	ZINC000012402696	553362816	/nfs/dbraw/zinc/36/28/16/553362816.db2.gz	ZIKUADUEDSOYCM-XMMPIXPASA-N	0	0	506.477	3.267	50	0		KGAARN
COC(=O)C1=C(C)N(CCc2ccccc2)C(=O)[C@]1(NC(=O)c1ccc(OC)c(OC)c1)C(F)(F)F	ZINC000012402697	553362807	/nfs/dbraw/zinc/36/28/07/553362807.db2.gz	ZIKUADUEDSOYCM-DEOSSOPVSA-N	0	0	506.477	3.267	50	0		KGAARN
CCOc1cc(/C=C2/SC(=N)N(c3nonc3-n3cccc3)C2=O)ccc1OCCN1CCOCC1	ZINC000012411580	553363563	/nfs/dbraw/zinc/36/35/63/553363563.db2.gz	AIVKRJWRQUMZLM-TWVFRSLXSA-N	0	0	510.576	3.026	50	0		KGAARN
CCOC(=O)C1=C(CSc2nnnn2-c2ccccc2)NC(=O)N[C@@H]1c1cc(OCC)ccc1OCC	ZINC000012411652	553363546	/nfs/dbraw/zinc/36/35/46/553363546.db2.gz	RTQDHNXFAADDRW-JOCHJYFZSA-N	0	0	524.603	3.423	50	0		KGAARN
CCOC(=O)C1=C(CSc2nnnn2-c2ccccc2)NC(=O)N[C@H]1c1cc(OCC)ccc1OCC	ZINC000012411654	553363569	/nfs/dbraw/zinc/36/35/69/553363569.db2.gz	RTQDHNXFAADDRW-QFIPXVFZSA-N	0	0	524.603	3.423	50	0		KGAARN
CCOc1ccc(C(=O)NCCNC(=O)c2nc(Cn3c4ccccc4nc3C(F)(F)F)no2)cc1	ZINC000012411717	553363543	/nfs/dbraw/zinc/36/35/43/553363543.db2.gz	SKRIUHANCSOVGE-UHFFFAOYSA-N	0	0	502.453	3.045	50	0		KGAARN
CCOC(=O)c1ccc(Oc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(OCC)c(OCC)c2)cc1	ZINC000012412222	553363908	/nfs/dbraw/zinc/36/39/08/553363908.db2.gz	HWCJIOFNIKSIDI-UHFFFAOYSA-N	0	0	522.558	3.248	50	0		KGAARN
CCOC(=O)C1=C(CN(CCOC)C(=O)Cc2ccc(Cl)cc2)NC(=O)N[C@@H]1c1cccc(F)c1	ZINC000012412609	553364170	/nfs/dbraw/zinc/36/41/70/553364170.db2.gz	XBDGYQDFNRLHAG-HSZRJFAPSA-N	0	0	503.958	3.368	50	0		KGAARN
CCOC(=O)C1=C(CN(CCOC)C(=O)Cc2ccc(Cl)cc2)NC(=O)N[C@H]1c1cccc(F)c1	ZINC000012412611	553364107	/nfs/dbraw/zinc/36/41/07/553364107.db2.gz	XBDGYQDFNRLHAG-QHCPKHFHSA-N	0	0	503.958	3.368	50	0		KGAARN
CCOC(=O)N1CCN(c2c(Cl)cccc2NS(=O)(=O)c2ccc([C@H]3CNC(=O)C3)cc2)CC1	ZINC000012413569	553364530	/nfs/dbraw/zinc/36/45/30/553364530.db2.gz	GMBAQKTZFOYSAJ-QGZVFWFLSA-N	0	0	507.012	3.023	50	0		KGAARN
CCOC(=O)N1CCN(c2c(Cl)cccc2NS(=O)(=O)c2ccc([C@@H]3CNC(=O)C3)cc2)CC1	ZINC000012413571	553364484	/nfs/dbraw/zinc/36/44/84/553364484.db2.gz	GMBAQKTZFOYSAJ-KRWDZBQOSA-N	0	0	507.012	3.023	50	0		KGAARN
COc1ccc([C@H](CNC(=O)c2cc(S(=O)(=O)N(C)C)c(Cl)cc2Cl)N2CCOCC2)cc1	ZINC000012413974	553364658	/nfs/dbraw/zinc/36/46/58/553364658.db2.gz	SEMYOEAZCMVZEW-FQEVSTJZSA-N	0	0	516.447	3.056	50	0		KGAARN
COc1ccc([C@@H](CNC(=O)c2cc(S(=O)(=O)N(C)C)c(Cl)cc2Cl)N2CCOCC2)cc1	ZINC000012413975	553364713	/nfs/dbraw/zinc/36/47/13/553364713.db2.gz	SEMYOEAZCMVZEW-HXUWFJFHSA-N	0	0	516.447	3.056	50	0		KGAARN
CN(C)c1cc(Cl)c(S(=O)(=O)N(C)C)cc1C(=O)Nc1ccc(N2CCOCC2)cc1Cl	ZINC000012414005	553364860	/nfs/dbraw/zinc/36/48/60/553364860.db2.gz	SHGLMFMODJVDKJ-UHFFFAOYSA-N	0	0	501.436	3.399	50	0		KGAARN
COC(=O)[C@@H](CSCc1ccccc1)NC(=O)COC(=O)[C@H](NC(=O)c1ccccc1)c1ccccc1	ZINC000012417318	553365231	/nfs/dbraw/zinc/36/52/31/553365231.db2.gz	XOFKQIFDVHDJQD-ILBGXUMGSA-N	0	0	520.607	3.292	50	0		KGAARN
COC(=O)[C@H](CSCc1ccccc1)NC(=O)COC(=O)[C@H](NC(=O)c1ccccc1)c1ccccc1	ZINC000012417321	553365215	/nfs/dbraw/zinc/36/52/15/553365215.db2.gz	XOFKQIFDVHDJQD-UKILVPOCSA-N	0	0	520.607	3.292	50	0		KGAARN
COC(=O)[C@@H](CSCc1ccccc1)NC(=O)COC(=O)[C@@H](NC(=O)c1ccccc1)c1ccccc1	ZINC000012417324	553365235	/nfs/dbraw/zinc/36/52/35/553365235.db2.gz	XOFKQIFDVHDJQD-NOZRDPDXSA-N	0	0	520.607	3.292	50	0		KGAARN
COC(=O)[C@H](CSCc1ccccc1)NC(=O)COC(=O)[C@@H](NC(=O)c1ccccc1)c1ccccc1	ZINC000012417326	553365277	/nfs/dbraw/zinc/36/52/77/553365277.db2.gz	XOFKQIFDVHDJQD-ZCYQVOJMSA-N	0	0	520.607	3.292	50	0		KGAARN
COc1ccc(N(CC(=O)NCCc2ccc(OC)c(OC)c2)S(=O)(=O)c2ccccc2)c(OC)c1	ZINC000012420023	553365841	/nfs/dbraw/zinc/36/58/41/553365841.db2.gz	WURDBOYACHXSDP-UHFFFAOYSA-N	0	0	514.600	3.275	50	0	biogenic	KGAARN
COc1ccc(N2C(=O)[C@@H](CC(=O)Nc3cccc(OC)c3)N(NC(=O)c3ccccc3)C2=S)cc1	ZINC000012420775	553365847	/nfs/dbraw/zinc/36/58/47/553365847.db2.gz	JYIPJKMTUYDUKQ-JOCHJYFZSA-N	0	0	504.568	3.380	50	0		KGAARN
Cn1c2nc(SCC(=O)NC3CCCCCC3)n(Cc3cccc(C(F)(F)F)c3)c2c(=O)n(C)c1=O	ZINC000012427893	553366105	/nfs/dbraw/zinc/36/61/05/553366105.db2.gz	YYBMDEPFMHPOGI-UHFFFAOYSA-N	0	0	523.581	3.432	50	0		KGAARN
Cc1ccc(-n2c3c(c(=O)[nH]c2=O)[C@](NC(=O)c2ccc(C(C)(C)C)cc2)(C(F)(F)F)C(=O)N3)cc1	ZINC000012462105	553367007	/nfs/dbraw/zinc/36/70/07/553367007.db2.gz	JXBSAMWHCOAEIF-XMMPIXPASA-N	0	0	500.477	3.271	50	0		KGAARN
Cc1ccc(-n2c3c(c(=O)[nH]c2=O)[C@@](NC(=O)c2ccc(C(C)(C)C)cc2)(C(F)(F)F)C(=O)N3)cc1	ZINC000012462106	553367071	/nfs/dbraw/zinc/36/70/71/553367071.db2.gz	JXBSAMWHCOAEIF-DEOSSOPVSA-N	0	0	500.477	3.271	50	0		KGAARN
CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc[nH]3)c(=O)n2[C@H]1c1cccc(OC)c1OC	ZINC000012467922	553367985	/nfs/dbraw/zinc/36/79/85/553367985.db2.gz	QOWORMLBIGJNBL-RTWFUWSXSA-N	0	0	515.591	3.281	50	0		KGAARN
CCOC(=O)COc1cc(Br)c(/C=C2/SC(=O)N(CC(=O)OC(C)C)C2=O)cc1OC	ZINC000012469635	553368169	/nfs/dbraw/zinc/36/81/69/553368169.db2.gz	XITARSBIPAATLA-FRKPEAEDSA-N	0	0	516.366	3.388	50	0		KGAARN
COc1ccc(C(=O)OCC(=O)Nc2ccc(NC(C)=O)cc2)cc1S(=O)(=O)N(C)Cc1ccccc1	ZINC000012482748	553376080	/nfs/dbraw/zinc/37/60/80/553376080.db2.gz	MHAGBHOOKMVDBX-UHFFFAOYSA-N	0	0	525.583	3.270	50	0		KGAARN
COc1cc2nc(CN(CCC(C)C)Cc3nc4cc(OC)c(OC)cc4c(=O)[nH]3)[nH]c(=O)c2cc1OC	ZINC000012483002	553376325	/nfs/dbraw/zinc/37/63/25/553376325.db2.gz	VDDCWANNWWBZJH-UHFFFAOYSA-N	0	0	523.590	3.242	50	0		KGAARN
O=C(NCCN1C(=O)S/C(=C\c2ccc(F)cc2)C1=O)[C@@H]1CCCCN1S(=O)(=O)c1ccccc1	ZINC000012483773	553376839	/nfs/dbraw/zinc/37/68/39/553376839.db2.gz	OZCUZGJVAUMYMN-CVVHJZTLSA-N	0	0	517.604	3.222	50	0		KGAARN
O=C(NCCN1C(=O)S/C(=C\c2ccc(F)cc2)C1=O)[C@H]1CCCCN1S(=O)(=O)c1ccccc1	ZINC000012483789	553376824	/nfs/dbraw/zinc/37/68/24/553376824.db2.gz	OZCUZGJVAUMYMN-JSZIULHXSA-N	0	0	517.604	3.222	50	0		KGAARN
CN(CC(=O)Nc1ccc(Cl)cc1)C(=O)c1ccc(NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1	ZINC000012520918	553382563	/nfs/dbraw/zinc/38/25/63/553382563.db2.gz	BRLGFDUKEGSLRY-UHFFFAOYSA-N	0	0	513.963	3.021	50	0		KGAARN
COc1ccccc1[C@@H](CNC(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1)N(C)C	ZINC000012520965	553382520	/nfs/dbraw/zinc/38/25/20/553382520.db2.gz	DENLMFIWCYKXPE-JOCHJYFZSA-N	0	0	511.600	3.300	50	0		KGAARN
COc1ccccc1[C@H](CNC(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1)N(C)C	ZINC000012520966	553382588	/nfs/dbraw/zinc/38/25/88/553382588.db2.gz	DENLMFIWCYKXPE-QFIPXVFZSA-N	0	0	511.600	3.300	50	0		KGAARN
COc1ccc(NS(=O)(=O)c2cccc(C(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)c2)cc1	ZINC000012521206	553382557	/nfs/dbraw/zinc/38/25/57/553382557.db2.gz	AGNWDDKWTKGZKN-UHFFFAOYSA-N	0	0	509.584	3.183	50	0		KGAARN
Cc1cccc(N2CCN(C(=O)c3ccc(NS(=O)(=O)c4ccc5[nH]c(=O)[nH]c5c4)cc3)CC2)c1C	ZINC000012521315	553382837	/nfs/dbraw/zinc/38/28/37/553382837.db2.gz	PKNOUYFGJZBGIQ-UHFFFAOYSA-N	0	0	505.600	3.236	50	0		KGAARN
COc1ccc([C@@H](CNC(=O)c2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)N2CCOCC2)cc1	ZINC000012521316	553382846	/nfs/dbraw/zinc/38/28/46/553382846.db2.gz	BREOXUBVDDTQFJ-RUZDIDTESA-N	0	0	513.591	3.438	50	0		KGAARN
COc1ccc([C@H](CNC(=O)c2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)N2CCOCC2)cc1	ZINC000012521317	553382779	/nfs/dbraw/zinc/38/27/79/553382779.db2.gz	BREOXUBVDDTQFJ-VWLOTQADSA-N	0	0	513.591	3.438	50	0		KGAARN
CCOc1ccc(C(=O)COC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2N2CCOCC2)cc1	ZINC000012521707	553382791	/nfs/dbraw/zinc/38/27/91/553382791.db2.gz	XGIUVNADJQRWSU-UHFFFAOYSA-N	0	0	516.616	3.136	50	0		KGAARN
CN(CC(=O)Nc1ccc(F)cc1)C(=O)c1cccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)c1	ZINC000012521911	553382761	/nfs/dbraw/zinc/38/27/61/553382761.db2.gz	ZKPTWUCDMYGGNG-UHFFFAOYSA-N	0	0	510.591	3.047	50	0		KGAARN
CN1CCN(c2ccc(S(=O)(=O)N3CCCCC3)cc2NC(=O)COc2cccc(Cl)c2)CC1	ZINC000012521959	553382817	/nfs/dbraw/zinc/38/28/17/553382817.db2.gz	NCOOSESNNLYQDH-UHFFFAOYSA-N	0	0	507.056	3.284	50	0		KGAARN
COc1ccccc1CCC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCN(C)CC1	ZINC000012522022	553382899	/nfs/dbraw/zinc/38/28/99/553382899.db2.gz	LEYBVJCWDHQHRT-UHFFFAOYSA-N	0	0	500.665	3.193	50	0		KGAARN
CSCC[C@@H](NC(=O)c1ccccc1Cl)C(=O)N(C)CC(=O)Nc1ccc(N2CCOCC2)cc1	ZINC000012522261	553382939	/nfs/dbraw/zinc/38/29/39/553382939.db2.gz	ZOGJWRQCYVXXKI-JOCHJYFZSA-N	0	0	519.067	3.125	50	0		KGAARN
CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)N(C)CC(=O)Nc1ccc(N2CCOCC2)cc1	ZINC000012522262	553382972	/nfs/dbraw/zinc/38/29/72/553382972.db2.gz	ZOGJWRQCYVXXKI-QFIPXVFZSA-N	0	0	519.067	3.125	50	0		KGAARN
CCN(CC)S(=O)(=O)c1ccc(N2CCN(C)CC2)c(NC(=O)COc2ccc(F)cc2Cl)c1	ZINC000012522314	553382988	/nfs/dbraw/zinc/38/29/88/553382988.db2.gz	ZZFSZWIJNFCJKB-UHFFFAOYSA-N	0	0	513.035	3.279	50	0		KGAARN
CN1CCN(c2ccc(S(=O)(=O)N3CCCCC3)cc2NC(=O)CSCc2ccccc2)CC1	ZINC000012523110	553383150	/nfs/dbraw/zinc/38/31/50/553383150.db2.gz	MALTZQBNMPIRPF-UHFFFAOYSA-N	0	0	502.706	3.485	50	0		KGAARN
CCOc1ccccc1N1CCN(C(=O)c2ccc(NS(=O)(=O)c3ccc4[nH]c(=O)[nH]c4c3)cc2)CC1	ZINC000012525961	553383946	/nfs/dbraw/zinc/38/39/46/553383946.db2.gz	YOTDGZDZJATVAS-UHFFFAOYSA-N	0	0	521.599	3.018	50	0		KGAARN
COc1cc(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)ccc1OCC(=O)N1CCOCC1	ZINC000012526625	553384379	/nfs/dbraw/zinc/38/43/79/553384379.db2.gz	OVPNAMKADNOPDZ-UHFFFAOYSA-N	0	0	523.508	3.041	50	0		KGAARN
CCCCCN(C(=O)COC(=O)Cc1c(C)nc2ccccc2c1C)c1c(N)n(CCCC)c(=O)[nH]c1=O	ZINC000012528149	553384387	/nfs/dbraw/zinc/38/43/87/553384387.db2.gz	NBDFEQPWFAZEDD-UHFFFAOYSA-N	0	0	523.634	3.393	50	0		KGAARN
CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)COC(=O)COc1ccc(C(=O)CC)cc1	ZINC000012528434	553384331	/nfs/dbraw/zinc/38/43/31/553384331.db2.gz	YLVYPROAHOTBNY-UHFFFAOYSA-N	0	0	514.575	3.474	50	0		KGAARN
Cc1cccc(S(=O)(=O)NCCC(=O)OCC(=O)Nc2ccccc2C(=O)N[C@H](C)c2ccccc2)c1	ZINC000012528835	553384669	/nfs/dbraw/zinc/38/46/69/553384669.db2.gz	KEOHDEPXIODOKM-HXUWFJFHSA-N	0	0	523.611	3.336	50	0		KGAARN
Cc1cccc(S(=O)(=O)NCCC(=O)OCC(=O)Nc2ccccc2C(=O)N[C@@H](C)c2ccccc2)c1	ZINC000012528836	553384675	/nfs/dbraw/zinc/38/46/75/553384675.db2.gz	KEOHDEPXIODOKM-FQEVSTJZSA-N	0	0	523.611	3.336	50	0		KGAARN
CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)[C@@H]1Cc2ccccc2CN1S(=O)(=O)CC	ZINC000012528856	553384653	/nfs/dbraw/zinc/38/46/53/553384653.db2.gz	UXYFOHFIBWBRQS-QHCPKHFHSA-N	0	0	517.648	3.036	50	0		KGAARN
CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)[C@H]1Cc2ccccc2CN1S(=O)(=O)CC	ZINC000012528857	553384611	/nfs/dbraw/zinc/38/46/11/553384611.db2.gz	UXYFOHFIBWBRQS-HSZRJFAPSA-N	0	0	517.648	3.036	50	0		KGAARN
CSc1ccc(Cl)c(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCOCC2)c1	ZINC000012528860	553384664	/nfs/dbraw/zinc/38/46/64/553384664.db2.gz	XPQJERWGVSBJQI-UHFFFAOYSA-N	0	0	512.053	3.172	50	0		KGAARN
Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)CCC(=O)Nc3ccc(OC(F)(F)F)cc3)CC2)c1	ZINC000012528862	553384790	/nfs/dbraw/zinc/38/47/90/553384790.db2.gz	USYJKNBBVQYPEI-UHFFFAOYSA-N	0	0	513.538	3.454	50	0		KGAARN
CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1	ZINC000012528901	553384716	/nfs/dbraw/zinc/38/47/16/553384716.db2.gz	WHBSDYFWQRVQNY-SFHVURJKSA-N	0	0	511.575	3.083	50	0		KGAARN
CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1	ZINC000012528902	553384811	/nfs/dbraw/zinc/38/48/11/553384811.db2.gz	WHBSDYFWQRVQNY-GOSISDBHSA-N	0	0	511.575	3.083	50	0		KGAARN
O=C(CSc1nc2ccccc2c(=O)n1CCCN1CCOCC1)Nc1ccccc1OC(F)F	ZINC000012529004	553384719	/nfs/dbraw/zinc/38/47/19/553384719.db2.gz	OIULVXOBOLYKGC-UHFFFAOYSA-N	0	0	504.559	3.451	50	0		KGAARN
CCN(CC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)CC(=O)Nc1ccccc1C(F)(F)F	ZINC000012529035	553385037	/nfs/dbraw/zinc/38/50/37/553385037.db2.gz	BGIKWGZNXAJZLO-UHFFFAOYSA-N	0	0	512.554	3.389	50	0		KGAARN
COC(=O)c1ccc(NC(=O)COC(=O)c2ccc(OCC(=O)Nc3ccc(OC)cc3)c(OC)c2)cc1	ZINC000012529094	553385009	/nfs/dbraw/zinc/38/50/09/553385009.db2.gz	TZAOWPNZIOJITD-UHFFFAOYSA-N	0	0	522.510	3.303	50	0		KGAARN
CCOc1ccc(C(=O)COC(=O)[C@@H](NC(=O)c2cccc(S(=O)(=O)N(CC)CC)c2)C(C)C)cc1	ZINC000012529101	553385160	/nfs/dbraw/zinc/38/51/60/553385160.db2.gz	YMEKEANAIDOMJS-DEOSSOPVSA-N	0	0	518.632	3.296	50	0		KGAARN
CCOC(=O)c1ccccc1NC(=O)CSc1nc2ccccc2c(=O)n1CCCN1CCOCC1	ZINC000012529120	553385168	/nfs/dbraw/zinc/38/51/68/553385168.db2.gz	YUGCDMRZPGHPOW-UHFFFAOYSA-N	0	0	510.616	3.026	50	0		KGAARN
CN(C(=O)COC(=O)/C=C/c1cn(-c2ccccc2)nc1-c1cc2ccccc2o1)[C@@H]1CCS(=O)(=O)C1	ZINC000012529180	553385191	/nfs/dbraw/zinc/38/51/91/553385191.db2.gz	NZCTZFSKQFQXND-VDZCTEQFSA-N	0	0	519.579	3.487	50	0		KGAARN
CN(C(=O)COC(=O)/C=C/c1cn(-c2ccccc2)nc1-c1cc2ccccc2o1)[C@H]1CCS(=O)(=O)C1	ZINC000012529181	553385188	/nfs/dbraw/zinc/38/51/88/553385188.db2.gz	NZCTZFSKQFQXND-LEQVUBRHSA-N	0	0	519.579	3.487	50	0		KGAARN
CCN(C(=O)COC(=O)c1ccc(OCC(=O)N2CCOCC2)c(OC)c1)c1cccc2ccccc21	ZINC000012529195	553385380	/nfs/dbraw/zinc/38/53/80/553385380.db2.gz	TZMKDBCDTCCQTC-UHFFFAOYSA-N	0	0	506.555	3.296	50	0		KGAARN
C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)OCC(=O)N3c4ccccc4NC(=O)C3(C)C)cc2)C1	ZINC000012529313	553385410	/nfs/dbraw/zinc/38/54/10/553385410.db2.gz	WCPYQDCOWIIJDM-QZTJIDSGSA-N	0	0	513.616	3.274	50	0		KGAARN
C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)OCC(=O)N3c4ccccc4NC(=O)C3(C)C)cc2)C1	ZINC000012529315	553385373	/nfs/dbraw/zinc/38/53/73/553385373.db2.gz	WCPYQDCOWIIJDM-HDICACEKSA-N	0	0	513.616	3.274	50	0		KGAARN
C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)OCC(=O)N3c4ccccc4NC(=O)C3(C)C)cc2)C1	ZINC000012529316	553385405	/nfs/dbraw/zinc/38/54/05/553385405.db2.gz	WCPYQDCOWIIJDM-ROUUACIJSA-N	0	0	513.616	3.274	50	0		KGAARN
COc1ccc(C(=O)N[C@@H](Cc2ccccc2)c2nc3ccccc3[nH]2)cc1S(=O)(=O)N1CCOCC1	ZINC000012529348	553385608	/nfs/dbraw/zinc/38/56/08/553385608.db2.gz	INRBVTHARWNHTH-QHCPKHFHSA-N	0	0	520.611	3.306	50	0		KGAARN
COc1cc(C(=O)OCC(=O)Nc2cccc(S(N)(=O)=O)c2)ccc1OCc1ccc(Cl)cc1	ZINC000012529358	553385638	/nfs/dbraw/zinc/38/56/38/553385638.db2.gz	UGYVCCBVOHETBU-UHFFFAOYSA-N	0	0	504.948	3.371	50	0		KGAARN
CCOC(=O)C1=C(NC(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)Nc2ccccc2N=C1CC	ZINC000012529362	553385615	/nfs/dbraw/zinc/38/56/15/553385615.db2.gz	TUECFVRCAZHACB-INIZCTEOSA-N	0	0	504.543	3.310	50	0		KGAARN
CCOC(=O)C1=C(NC(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)Nc2ccccc2N=C1CC	ZINC000012529364	553385621	/nfs/dbraw/zinc/38/56/21/553385621.db2.gz	TUECFVRCAZHACB-MRXNPFEDSA-N	0	0	504.543	3.310	50	0		KGAARN
CCOC(=O)C1=C(NC(=O)[C@@H]2Cc3ccccc3CN2S(=O)(=O)CC)Nc2ccccc2N=C1CC	ZINC000012529609	553385806	/nfs/dbraw/zinc/38/58/06/553385806.db2.gz	NSJLQSYFJMBEEX-QFIPXVFZSA-N	0	0	510.616	3.262	50	0		KGAARN
CCOC(=O)C1=C(NC(=O)[C@H]2Cc3ccccc3CN2S(=O)(=O)CC)Nc2ccccc2N=C1CC	ZINC000012529611	553385794	/nfs/dbraw/zinc/38/57/94/553385794.db2.gz	NSJLQSYFJMBEEX-JOCHJYFZSA-N	0	0	510.616	3.262	50	0		KGAARN
CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)c3ccc4c(c3)NC(=O)CO4)o2)c1	ZINC000012530082	553385755	/nfs/dbraw/zinc/38/57/55/553385755.db2.gz	CLEWWGLXXJEKBS-UHFFFAOYSA-N	0	0	502.574	3.073	50	0		KGAARN
Cn1c(SCC(=O)N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)nnc1-c1ccccc1	ZINC000012530115	553386028	/nfs/dbraw/zinc/38/60/28/553386028.db2.gz	HPSRSUFVXONSMZ-UHFFFAOYSA-N	0	0	507.641	3.261	50	0		KGAARN
O=C(COC(=O)[C@H](Cc1ccccc1)NC(=O)c1cccs1)NC(=O)c1ccc(OC(F)F)cc1	ZINC000012531194	553386132	/nfs/dbraw/zinc/38/61/32/553386132.db2.gz	LQXHQFWYAZXLQX-SFHVURJKSA-N	0	0	502.495	3.190	50	0		KGAARN
CCN(CC)S(=O)(=O)c1ccc(Cl)c(NC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)c1	ZINC000012531207	553386143	/nfs/dbraw/zinc/38/61/43/553386143.db2.gz	OUIVSGJBAWVOIR-UHFFFAOYSA-N	0	0	500.042	3.407	50	0		KGAARN
COc1cccc(COC[C@@H](O)CN2CCN(S(=O)(=O)c3cc(C(F)(F)F)ccc3Cl)CC2)c1	ZINC000012532003	553386523	/nfs/dbraw/zinc/38/65/23/553386523.db2.gz	JZKWEHAXNRQDGV-SFHVURJKSA-N	0	0	522.973	3.251	50	0		KGAARN
COc1cccc(COC[C@H](O)CN2CCN(S(=O)(=O)c3cc(C(F)(F)F)ccc3Cl)CC2)c1	ZINC000012532005	553386529	/nfs/dbraw/zinc/38/65/29/553386529.db2.gz	JZKWEHAXNRQDGV-GOSISDBHSA-N	0	0	522.973	3.251	50	0		KGAARN
O=C(CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)NCCN1C(=O)S/C(=C\c2ccc(Cl)c(Cl)c2)C1=O	ZINC000012532293	553386554	/nfs/dbraw/zinc/38/65/54/553386554.db2.gz	PJZVZKCWWHFHFH-UQROUUEPSA-N	0	0	508.383	3.097	50	0		KGAARN
O=C(COc1ccccc1Cl)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC(F)(F)F	ZINC000012532358	553386626	/nfs/dbraw/zinc/38/66/26/553386626.db2.gz	NFHKHZUKEBRGLU-UHFFFAOYSA-N	0	0	508.902	3.320	50	0		KGAARN
CCOc1ccc(N2C(=O)c3ccc(C(=O)OCC(=O)N4CCN(c5ccccc5)CC4)cc3C2=O)cc1	ZINC000012532368	553386609	/nfs/dbraw/zinc/38/66/09/553386609.db2.gz	KBEDYFOPSFAMMH-UHFFFAOYSA-N	0	0	513.550	3.392	50	0		KGAARN
COc1cc(NC(=O)Cn2c(=O)c3c(ncn3Cc3ccccc3)n(Cc3ccccc3)c2=O)cc(OC)c1	ZINC000012532395	553386518	/nfs/dbraw/zinc/38/65/18/553386518.db2.gz	SDWMRESWEGTHPZ-UHFFFAOYSA-N	0	0	525.565	3.112	50	0		KGAARN
COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CSc1nccn1-c1ccc(C)cc1C	ZINC000012532556	553386835	/nfs/dbraw/zinc/38/68/35/553386835.db2.gz	PCNODVCQYRSYKC-UHFFFAOYSA-N	0	0	516.645	3.249	50	0		KGAARN
COc1ccc(C(=O)N[C@H](C(=O)NCCN2C(=O)S/C(=C\c3ccc4c(c3)OCO4)C2=O)C(C)C)cc1	ZINC000012532669	1060001943	/nfs/dbraw/zinc/00/19/43/1060001943.db2.gz	QQSFEAZZIHPREJ-YRUATGHUSA-N	0	0	525.583	3.031	50	0		KGAARN
COc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(-n4cnc5ccccc54)cc3)CC2)cc1OC	ZINC000012532729	553386783	/nfs/dbraw/zinc/38/67/83/553386783.db2.gz	NZUISUAXEDZIMK-UHFFFAOYSA-N	0	0	506.584	3.189	50	0		KGAARN
NS(=O)(=O)c1ccc(NC(=O)CSc2nnc(-c3ccc4c(c3)OCO4)n2-c2ccccc2)cc1	ZINC000012532739	553386793	/nfs/dbraw/zinc/38/67/93/553386793.db2.gz	GCLZAGGKJASMSW-UHFFFAOYSA-N	0	0	509.569	3.041	50	0		KGAARN
COc1ccc(NC(=O)c2c(C)nn(Cc3ccccc3)c2Cl)cc1S(=O)(=O)N1CCOCC1	ZINC000012532841	553387019	/nfs/dbraw/zinc/38/70/19/553387019.db2.gz	RGVAFTWYKFRLNA-UHFFFAOYSA-N	0	0	504.996	3.175	50	0		KGAARN
CCOc1ccc(-n2c(SCC(=O)N(C)[C@@H]3CCS(=O)(=O)C3)nnc2-c2cccc(C)c2)cc1	ZINC000012532921	553386965	/nfs/dbraw/zinc/38/69/65/553386965.db2.gz	QRLNAQAIDYRKIK-HXUWFJFHSA-N	0	0	500.646	3.379	50	0		KGAARN
CCOc1ccc(-n2c(SCC(=O)N(C)[C@H]3CCS(=O)(=O)C3)nnc2-c2cccc(C)c2)cc1	ZINC000012532924	553386971	/nfs/dbraw/zinc/38/69/71/553386971.db2.gz	QRLNAQAIDYRKIK-FQEVSTJZSA-N	0	0	500.646	3.379	50	0		KGAARN
CCN(C(=O)CSc1nnc(-c2ccc(OC)cc2)n1-c1ccc(C)cc1)[C@@H]1CCS(=O)(=O)C1	ZINC000012533127	553387164	/nfs/dbraw/zinc/38/71/64/553387164.db2.gz	HBVUHMYPBGYQIJ-HXUWFJFHSA-N	0	0	500.646	3.379	50	0		KGAARN
CCN(C(=O)CSc1nnc(-c2ccc(OC)cc2)n1-c1ccc(C)cc1)[C@H]1CCS(=O)(=O)C1	ZINC000012533128	553387172	/nfs/dbraw/zinc/38/71/72/553387172.db2.gz	HBVUHMYPBGYQIJ-FQEVSTJZSA-N	0	0	500.646	3.379	50	0		KGAARN
CN(C(=O)COC(=O)c1c2c(nc3ccccc31)/C(=C/c1ccc(O)cc1)CC2)[C@@H]1CCS(=O)(=O)C1	ZINC000012533280	1060001969	/nfs/dbraw/zinc/00/19/69/1060001969.db2.gz	YJPAQUKHHBOITJ-YWXUCKCNSA-N	0	0	506.580	3.230	50	0		KGAARN
CN(C(=O)COC(=O)c1c2c(nc3ccccc31)/C(=C/c1ccc(O)cc1)CC2)[C@H]1CCS(=O)(=O)C1	ZINC000012533281	1060001900	/nfs/dbraw/zinc/00/19/00/1060001900.db2.gz	YJPAQUKHHBOITJ-ZSFFSCSXSA-N	0	0	506.580	3.230	50	0		KGAARN
COc1ccc(NS(=O)(=O)c2cc(NC(=O)c3ccc(-n4cnnn4)cc3)ccc2N2CCCC2)cc1	ZINC000012533375	553387416	/nfs/dbraw/zinc/38/74/16/553387416.db2.gz	BUVUSVKEENSKKK-UHFFFAOYSA-N	0	0	519.587	3.324	50	0		KGAARN
CCCCNc1ccccc1C(=O)OCC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1	ZINC000012533507	553387380	/nfs/dbraw/zinc/38/73/80/553387380.db2.gz	XYUAUSPWRWHOFD-UHFFFAOYSA-N	0	0	510.012	3.368	50	0		KGAARN
CC(=O)Nc1ccc(SCC(=O)N2CCN(C(=O)CSc3ccc(NC(C)=O)cc3)CC2)cc1	ZINC000012533680	553387413	/nfs/dbraw/zinc/38/74/13/553387413.db2.gz	SBWGQTNQBFJOSO-UHFFFAOYSA-N	0	0	500.646	3.159	50	0		KGAARN
CC(C)N(Cc1nnc(-c2ccccc2Cl)o1)C(=O)CN1c2ccc(S(N)(=O)=O)cc2C[C@@H]1C	ZINC000012533943	553387546	/nfs/dbraw/zinc/38/75/46/553387546.db2.gz	JRBNZCGYIMVTNV-HNNXBMFYSA-N	0	0	504.012	3.226	50	0		KGAARN
CC(C)N(Cc1nnc(-c2ccccc2Cl)o1)C(=O)CN1c2ccc(S(N)(=O)=O)cc2C[C@H]1C	ZINC000012533944	553387566	/nfs/dbraw/zinc/38/75/66/553387566.db2.gz	JRBNZCGYIMVTNV-OAHLLOKOSA-N	0	0	504.012	3.226	50	0		KGAARN
COc1ccc(CNC(=O)c2ccc(NCc3ccc(OC)cc3)c(S(=O)(=O)N3CCOCC3)c2)cc1	ZINC000012534403	553387664	/nfs/dbraw/zinc/38/76/64/553387664.db2.gz	UGTPWGACQUOTFD-UHFFFAOYSA-N	0	0	525.627	3.267	50	0		KGAARN
CCN(CC(=O)Nc1c(F)cccc1F)C(=O)CCc1nc2cc(S(=O)(=O)N(C)C)ccc2n1CC	ZINC000012534967	553387583	/nfs/dbraw/zinc/38/75/83/553387583.db2.gz	DLAJOIPLCNCQIJ-UHFFFAOYSA-N	0	0	521.590	3.005	50	0		KGAARN
COc1ccc(NS(=O)(=O)c2cccc(C(=O)NC[C@H](c3ccc(OC)cc3)N3CCOCC3)c2)cc1	ZINC000012536233	553387854	/nfs/dbraw/zinc/38/78/54/553387854.db2.gz	UULOKGJUQFJROM-AREMUKBSSA-N	0	0	525.627	3.308	50	0		KGAARN
COc1ccc(NS(=O)(=O)c2cccc(C(=O)NC[C@@H](c3ccc(OC)cc3)N3CCOCC3)c2)cc1	ZINC000012536234	553387783	/nfs/dbraw/zinc/38/77/83/553387783.db2.gz	UULOKGJUQFJROM-SANMLTNESA-N	0	0	525.627	3.308	50	0		KGAARN
CCN1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)Nc3cc(Cl)ccc3N3CCOCC3)c2)CC1	ZINC000012536413	553387801	/nfs/dbraw/zinc/38/78/01/553387801.db2.gz	KYWTXVQRZCASBI-UHFFFAOYSA-N	0	0	527.474	3.409	50	0		KGAARN
COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3N3CCOCC3)CC2)cc1OC	ZINC000012536753	553387790	/nfs/dbraw/zinc/38/77/90/553387790.db2.gz	XKDKUXCUSDHATA-UHFFFAOYSA-N	0	0	524.039	3.233	50	0		KGAARN
C[C@@H](OC(=O)c1cn(-c2ccccc2)nc1-c1cccnc1)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1	ZINC000012537463	553387794	/nfs/dbraw/zinc/38/77/94/553387794.db2.gz	VCZBQBBJZYWIEB-GOSISDBHSA-N	0	0	519.583	3.369	50	0		KGAARN
C[C@H](OC(=O)c1cn(-c2ccccc2)nc1-c1cccnc1)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1	ZINC000012537464	553387865	/nfs/dbraw/zinc/38/78/65/553387865.db2.gz	VCZBQBBJZYWIEB-SFHVURJKSA-N	0	0	519.583	3.369	50	0		KGAARN
COc1ccc(-c2nnc(SCC(=O)N(C)[C@@H]3CCS(=O)(=O)C3)n2C2CCCCC2)cc1OC	ZINC000012537466	553387869	/nfs/dbraw/zinc/38/78/69/553387869.db2.gz	WKHJYELOMGGUSM-GOSISDBHSA-N	0	0	508.666	3.205	50	0		KGAARN
COc1ccc(-c2nnc(SCC(=O)N(C)[C@H]3CCS(=O)(=O)C3)n2C2CCCCC2)cc1OC	ZINC000012537467	553387810	/nfs/dbraw/zinc/38/78/10/553387810.db2.gz	WKHJYELOMGGUSM-SFHVURJKSA-N	0	0	508.666	3.205	50	0		KGAARN
Cc1ccc(NC(=O)COC(=O)CCCc2nc3ccccc3s2)cc1S(=O)(=O)N1CCOCC1	ZINC000012537473	553387817	/nfs/dbraw/zinc/38/78/17/553387817.db2.gz	IIUASBCIZGGAMT-UHFFFAOYSA-N	0	0	517.629	3.130	50	0		KGAARN
NS(=O)(=O)c1ccc(NC(=O)COC(=O)c2ccccc2SCC(=O)NC2CCCCCC2)cc1	ZINC000012537910	553387985	/nfs/dbraw/zinc/38/79/85/553387985.db2.gz	WCSAZTHDFRJEQS-UHFFFAOYSA-N	0	0	519.645	3.061	50	0		KGAARN
COc1ccc(CCNC(=O)C2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)cc1OC	ZINC000012537978	553388047	/nfs/dbraw/zinc/38/80/47/553388047.db2.gz	KGGBRUVTWOMCPD-UHFFFAOYSA-N	0	0	500.539	3.482	50	0		KGAARN
CCOc1ccc(NC(=O)CN(C)C(=O)c2cc(S(=O)(=O)N(C)C)ccc2N2CCCC2)cc1OCC	ZINC000012538177	553387972	/nfs/dbraw/zinc/38/79/72/553387972.db2.gz	LJHUYBMRSDTOOR-UHFFFAOYSA-N	0	0	532.663	3.045	50	0		KGAARN
Cc1ccc(OCC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2N2CCN(C)CC2)c(C)c1	ZINC000012538191	553387995	/nfs/dbraw/zinc/38/79/95/553387995.db2.gz	SCLWRDVAOVOAAS-UHFFFAOYSA-N	0	0	500.665	3.247	50	0		KGAARN
CN(C)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)N(C)CC(=O)Nc2ccccc2Br)c1	ZINC000012538213	553387966	/nfs/dbraw/zinc/38/79/66/553387966.db2.gz	WLPBAQMWDSCCEB-UHFFFAOYSA-N	0	0	523.453	3.010	50	0		KGAARN
O=C(COC(=O)CNC(=O)c1ccc(-c2ccccc2)cc1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1	ZINC000012538216	553387999	/nfs/dbraw/zinc/38/79/99/553387999.db2.gz	YREUFYWFLBVFEA-UHFFFAOYSA-N	0	0	521.595	3.050	50	0		KGAARN
Cc1nn(-c2cccc(Cl)c2)c2sc(C(=O)OCC(=O)Nc3cccc(S(N)(=O)=O)c3)cc12	ZINC000012538807	553388224	/nfs/dbraw/zinc/38/82/24/553388224.db2.gz	ZNIWJMJOCXZMNO-UHFFFAOYSA-N	0	0	504.977	3.492	50	0		KGAARN
Cc1cc(C2=NNC(=Nc3ccc(S(=O)(=O)N4CCOCC4)cc3)SC2)c(C)n1C[C@@H]1CCCO1	ZINC000012538943	553388378	/nfs/dbraw/zinc/38/83/78/553388378.db2.gz	USWOEQVCPOOPEV-FQEVSTJZSA-N	0	0	517.677	3.224	50	0		KGAARN
Cc1cc(C2=NNC(=Nc3ccc(S(=O)(=O)N4CCOCC4)cc3)SC2)c(C)n1C[C@H]1CCCO1	ZINC000012538946	553388409	/nfs/dbraw/zinc/38/84/09/553388409.db2.gz	USWOEQVCPOOPEV-HXUWFJFHSA-N	0	0	517.677	3.224	50	0		KGAARN
O=C(COC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1)c1ccccc1Cl	ZINC000012538974	553388330	/nfs/dbraw/zinc/38/83/30/553388330.db2.gz	OUGLCYPOCOOLSB-UHFFFAOYSA-N	0	0	507.008	3.391	50	0		KGAARN
O=C(CN1CCN(c2ccc(O)cc2)CC1)NCCN1C(=O)S/C(=C\c2ccccc2Cl)C1=O	ZINC000012539108	553388383	/nfs/dbraw/zinc/38/83/83/553388383.db2.gz	TYRCPEJAQKXDKS-QNGOZBTKSA-N	0	0	501.008	3.020	50	0		KGAARN
Cc1ccccc1Nc1nc(N)nc(CSc2nc3ccccc3c(=O)n2CCCN2CCOCC2)n1	ZINC000012539111	553388322	/nfs/dbraw/zinc/38/83/22/553388322.db2.gz	VOGMFPOARLNECK-UHFFFAOYSA-N	0	0	518.647	3.230	50	0		KGAARN
O=C1c2ccccc2C(=O)N1CCCCSc1nc2ccccc2c(=O)n1CCCN1CCOCC1	ZINC000012539113	553388372	/nfs/dbraw/zinc/38/83/72/553388372.db2.gz	YQVCKZXNJDSJRQ-UHFFFAOYSA-N	0	0	506.628	3.287	50	0		KGAARN
CC(C)Cn1c(N)c(C(=O)CSc2nnc(-c3ccccc3F)n2Cc2ccccc2)c(=O)n(C)c1=O	ZINC000012539122	553388363	/nfs/dbraw/zinc/38/83/63/553388363.db2.gz	XWXQYZYAOORWRJ-UHFFFAOYSA-N	0	0	522.606	3.206	50	0		KGAARN
COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1C(=O)OCC(=O)c1ccc2c(c1)OCCO2	ZINC000012539156	553388380	/nfs/dbraw/zinc/38/83/80/553388380.db2.gz	JDNZJHXLLIMTEN-UHFFFAOYSA-N	0	0	509.536	3.258	50	0		KGAARN
Cc1ccc(S(=O)(=O)N2CCN(C(=O)CSc3nnc(-c4ccc(Cl)cc4)n3C)CC2)cc1	ZINC000012539170	553388389	/nfs/dbraw/zinc/38/83/89/553388389.db2.gz	ONSMPXNGHYXUBC-UHFFFAOYSA-N	0	0	506.053	3.069	50	0		KGAARN
CCOc1cc(C(=O)OCC(=O)Nc2c(Cl)cccc2Cl)ccc1OCC(=O)N1CCOCC1	ZINC000012539198	553388526	/nfs/dbraw/zinc/38/85/26/553388526.db2.gz	JTDACJWOHJAZFG-UHFFFAOYSA-N	0	0	511.358	3.425	50	0		KGAARN
CC(C)Cn1c(N)c(C(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(F)cc2)c(=O)n(C)c1=O	ZINC000012539203	553388534	/nfs/dbraw/zinc/38/85/34/553388534.db2.gz	MOZBNYDVNQEKLA-UHFFFAOYSA-N	0	0	508.579	3.147	50	0		KGAARN
C[C@@H](OC(=O)C1(c2cccc(F)c2)CCCC1)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1	ZINC000012539399	553388541	/nfs/dbraw/zinc/38/85/41/553388541.db2.gz	BUBYNTMZQJIBGI-GOSISDBHSA-N	0	0	504.580	3.229	50	0		KGAARN
C[C@H](OC(=O)C1(c2cccc(F)c2)CCCC1)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1	ZINC000012539402	553388537	/nfs/dbraw/zinc/38/85/37/553388537.db2.gz	BUBYNTMZQJIBGI-SFHVURJKSA-N	0	0	504.580	3.229	50	0		KGAARN
CCOc1ccccc1N1C[C@@H](C(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2OC)CC1=O	ZINC000012539737	553388720	/nfs/dbraw/zinc/38/87/20/553388720.db2.gz	DJJCVTHRHNDOSM-SFHVURJKSA-N	0	0	501.605	3.260	50	0		KGAARN
CCOc1ccccc1N1C[C@H](C(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2OC)CC1=O	ZINC000012539740	553388782	/nfs/dbraw/zinc/38/87/82/553388782.db2.gz	DJJCVTHRHNDOSM-GOSISDBHSA-N	0	0	501.605	3.260	50	0		KGAARN
COc1cc(C(=O)Nc2nc(-c3ccc(NC(C)=O)cc3)cs2)ccc1OCC(=O)N1CCOCC1	ZINC000012540069	553388713	/nfs/dbraw/zinc/38/87/13/553388713.db2.gz	BYVRCKIDKVIERE-UHFFFAOYSA-N	0	0	510.572	3.267	50	0		KGAARN
CCCn1nc(C(=O)NCCN2C(=O)S/C(=C\c3ccc(OC)c(OC)c3)C2=O)c2ccccc2c1=O	ZINC000012540091	553388774	/nfs/dbraw/zinc/38/87/74/553388774.db2.gz	RHYSAHCAVHDLDH-QNGOZBTKSA-N	0	0	522.583	3.290	50	0		KGAARN
O=C(NCCN1C(=O)S/C(=C\c2ccccc2)C1=O)c1ccc2c(c1)C(=O)N(Cc1ccncc1)C2=O	ZINC000012540503	553388873	/nfs/dbraw/zinc/38/88/73/553388873.db2.gz	SGPCXTSFUDDCQT-HMAPJEAMSA-N	0	0	512.547	3.344	50	0		KGAARN
O=C(Nc1cccc(S(=O)(=O)N2CCCC2)c1)[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1ccccc1	ZINC000012540617	553388888	/nfs/dbraw/zinc/38/88/88/553388888.db2.gz	OQINKRFFRRNAQF-VWLOTQADSA-N	0	0	525.652	3.225	50	0		KGAARN
O=C(Nc1cccc(S(=O)(=O)N2CCCC2)c1)[C@H]1Cc2ccccc2CN1S(=O)(=O)c1ccccc1	ZINC000012540619	553388853	/nfs/dbraw/zinc/38/88/53/553388853.db2.gz	OQINKRFFRRNAQF-RUZDIDTESA-N	0	0	525.652	3.225	50	0		KGAARN
CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl	ZINC000012540680	553389107	/nfs/dbraw/zinc/38/91/07/553389107.db2.gz	XDJSSBUXPSYJQJ-UHFFFAOYSA-N	0	0	512.028	3.477	50	0		KGAARN
Cc1ccc(-c2nc(NC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)sc2-c2ccc(C)cc2)cc1	ZINC000012540861	553389148	/nfs/dbraw/zinc/38/91/48/553389148.db2.gz	WLGZOYBECXFLHN-UHFFFAOYSA-N	0	0	500.584	3.480	50	0		KGAARN
CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)c1	ZINC000012540971	553389164	/nfs/dbraw/zinc/38/91/64/553389164.db2.gz	WPIQNBJQDNZBIY-SFHVURJKSA-N	0	0	507.568	3.275	50	0		KGAARN
CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)c1	ZINC000012540974	553389133	/nfs/dbraw/zinc/38/91/33/553389133.db2.gz	WPIQNBJQDNZBIY-GOSISDBHSA-N	0	0	507.568	3.275	50	0		KGAARN
COc1ccccc1N1CCN(C(=O)C2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)CC1	ZINC000012540991	553389159	/nfs/dbraw/zinc/38/91/59/553389159.db2.gz	JKEJMBLGUBVCDO-UHFFFAOYSA-N	0	0	511.566	3.464	50	0		KGAARN
CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=O)CSc2nnnn2-c2cc(C)ccc2OC)c1	ZINC000012541215	553389259	/nfs/dbraw/zinc/38/92/59/553389259.db2.gz	INIZPMLQBLCVBI-UHFFFAOYSA-N	0	0	504.638	3.049	50	0		KGAARN
Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)OCC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1	ZINC000012541249	553389189	/nfs/dbraw/zinc/38/91/89/553389189.db2.gz	QBHJEEAZDDMHSZ-UHFFFAOYSA-N	0	0	517.007	3.473	50	0		KGAARN
C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)OCC(=O)NC(=O)c3ccc(OC(F)F)cc3)cc2)C1	ZINC000012541339	553389503	/nfs/dbraw/zinc/38/95/03/553389503.db2.gz	JYKBORBLUPYODO-HZPDHXFCSA-N	0	0	524.542	3.068	50	0		KGAARN
C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)OCC(=O)NC(=O)c3ccc(OC(F)F)cc3)cc2)C1	ZINC000012541343	553389509	/nfs/dbraw/zinc/38/95/09/553389509.db2.gz	JYKBORBLUPYODO-IYBDPMFKSA-N	0	0	524.542	3.068	50	0		KGAARN
C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)OCC(=O)NC(=O)c3ccc(OC(F)F)cc3)cc2)C1	ZINC000012541345	553389512	/nfs/dbraw/zinc/38/95/12/553389512.db2.gz	JYKBORBLUPYODO-HOTGVXAUSA-N	0	0	524.542	3.068	50	0		KGAARN
CCOC(=O)Nc1ccc2c(COC(=O)CCNS(=O)(=O)c3ccc(OCC)cc3)cc(=O)oc2c1	ZINC000012541457	553389521	/nfs/dbraw/zinc/38/95/21/553389521.db2.gz	INIJYEISQQGRLV-UHFFFAOYSA-N	0	0	518.544	3.172	50	0		KGAARN
CCCCCCn1nc(C(=O)OCC(=O)NC(=O)Nc2ccc3c(c2)OCCO3)c2ccccc2c1=O	ZINC000012541488	553389610	/nfs/dbraw/zinc/38/96/10/553389610.db2.gz	TWABLPGCHABXMU-UHFFFAOYSA-N	0	0	508.531	3.253	50	0		KGAARN
Cn1c(N)c(C(=O)COC(=O)c2c3ccccc3nc3c2CCCC3=Cc2cccs2)c(=O)n(C)c1=O	ZINC000012541535	553389683	/nfs/dbraw/zinc/38/96/83/553389683.db2.gz	HHZDDUGSUXWEST-FYWRMAATSA-N	0	0	516.579	3.193	50	0		KGAARN
CCNC(=O)NC(=O)[C@@H](C)OC(=O)c1cccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2)c1	ZINC000012541908	553389877	/nfs/dbraw/zinc/38/98/77/553389877.db2.gz	SHXCRJCBMNTQJB-LJQANCHMSA-N	0	0	509.584	3.473	50	0		KGAARN
CCNC(=O)NC(=O)[C@H](C)OC(=O)c1cccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2)c1	ZINC000012541910	553389872	/nfs/dbraw/zinc/38/98/72/553389872.db2.gz	SHXCRJCBMNTQJB-IBGZPJMESA-N	0	0	509.584	3.473	50	0		KGAARN
C[C@@H](NC(=O)COC(=O)CNC(=O)c1ccccc1I)C12CC3CC(CC(C3)C1)C2	ZINC000012541926	553389863	/nfs/dbraw/zinc/38/98/63/553389863.db2.gz	UJZJRAAGXRKNGH-KWJFTMPMSA-N	0	0	524.399	3.285	50	0		KGAARN
C[C@H](NC(=O)COC(=O)CNC(=O)c1ccccc1I)C12CC3CC(CC(C3)C1)C2	ZINC000012541928	553389881	/nfs/dbraw/zinc/38/98/81/553389881.db2.gz	UJZJRAAGXRKNGH-NSDYXAQKSA-N	0	0	524.399	3.285	50	0		KGAARN
Cc1noc(C)c1COc1ccc(C(=O)OCC(=O)Nc2ccc(C)c(S(=O)(=O)N(C)C)c2)cc1	ZINC000012542020	553389986	/nfs/dbraw/zinc/38/99/86/553389986.db2.gz	GORGIGYTZIUFMO-UHFFFAOYSA-N	0	0	501.561	3.225	50	0		KGAARN
Cc1nn(-c2ccccc2)c2nc(-c3ccccc3)cc(C(=O)OCC(=O)N(C)[C@H]3CCS(=O)(=O)C3)c12	ZINC000012542022	553390041	/nfs/dbraw/zinc/39/00/41/553390041.db2.gz	XAYZXRMYECPZRC-NRFANRHFSA-N	0	0	518.595	3.198	50	0		KGAARN
O=C(CN1CCN(C(=O)CNC(=O)c2ccccc2F)CC1)Nc1ccc(Cl)c(C(F)(F)F)c1	ZINC000012542049	553389982	/nfs/dbraw/zinc/38/99/82/553389982.db2.gz	ZUQXJSGDLIFGPV-UHFFFAOYSA-N	0	0	500.880	3.011	50	0		KGAARN
CCS(=O)(=O)N1Cc2ccccc2C[C@@H]1C(=O)Nc1cccc(S(=O)(=O)N(C)c2ccccc2)c1	ZINC000012542074	553390018	/nfs/dbraw/zinc/39/00/18/553390018.db2.gz	CUHORDMGXQVWKR-XMMPIXPASA-N	0	0	513.641	3.227	50	0		KGAARN
CCS(=O)(=O)N1Cc2ccccc2C[C@H]1C(=O)Nc1cccc(S(=O)(=O)N(C)c2ccccc2)c1	ZINC000012542075	553389967	/nfs/dbraw/zinc/38/99/67/553389967.db2.gz	CUHORDMGXQVWKR-DEOSSOPVSA-N	0	0	513.641	3.227	50	0		KGAARN
COc1ccc(C2=NN(C(=O)COC(=O)CNS(=O)(=O)/C=C/c3ccccc3)[C@@H](c3ccco3)C2)cc1	ZINC000012542107	553389971	/nfs/dbraw/zinc/38/99/71/553389971.db2.gz	GUANODDXOWZYSW-SERSOLAASA-N	0	0	523.567	3.099	50	0		KGAARN
COc1ccc(C2=NN(C(=O)COC(=O)CNS(=O)(=O)/C=C/c3ccccc3)[C@H](c3ccco3)C2)cc1	ZINC000012542109	553390189	/nfs/dbraw/zinc/39/01/89/553390189.db2.gz	GUANODDXOWZYSW-JLQMKUNGSA-N	0	0	523.567	3.099	50	0		KGAARN
COc1cc(C(=O)OCC(=O)N[C@@H]2CCS(=O)(=O)C2)ccc1OCc1ccc(Cl)cc1Cl	ZINC000012542114	553390221	/nfs/dbraw/zinc/39/02/21/553390221.db2.gz	RYFGMFZCXOPAEW-MRXNPFEDSA-N	0	0	502.372	3.041	50	0		KGAARN
COc1cc(C(=O)OCC(=O)N[C@H]2CCS(=O)(=O)C2)ccc1OCc1ccc(Cl)cc1Cl	ZINC000012542117	553390213	/nfs/dbraw/zinc/39/02/13/553390213.db2.gz	RYFGMFZCXOPAEW-INIZCTEOSA-N	0	0	502.372	3.041	50	0		KGAARN
CCOc1ccc(-n2c(Cc3ccccc3)nnc2SCC(=O)N(CC)[C@@H]2CCS(=O)(=O)C2)cc1	ZINC000012542221	553390185	/nfs/dbraw/zinc/39/01/85/553390185.db2.gz	OZQSNYLGSMVKQF-OAQYLSRUSA-N	0	0	514.673	3.385	50	0		KGAARN
CCOc1ccc(-n2c(Cc3ccccc3)nnc2SCC(=O)N(CC)[C@H]2CCS(=O)(=O)C2)cc1	ZINC000012542222	553390214	/nfs/dbraw/zinc/39/02/14/553390214.db2.gz	OZQSNYLGSMVKQF-NRFANRHFSA-N	0	0	514.673	3.385	50	0		KGAARN
CCCCOC(=O)c1ccc(NCC(=O)Nc2ccc(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)cc1	ZINC000012542277	553390491	/nfs/dbraw/zinc/39/04/91/553390491.db2.gz	WRDQFQNNBVHFNP-OALUTQOASA-N	0	0	503.621	3.492	50	0		KGAARN
CCCCOC(=O)c1ccc(NCC(=O)Nc2ccc(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)cc1	ZINC000012542278	553390486	/nfs/dbraw/zinc/39/04/86/553390486.db2.gz	WRDQFQNNBVHFNP-RTBURBONSA-N	0	0	503.621	3.492	50	0		KGAARN
CCCCOC(=O)c1ccc(NCC(=O)Nc2ccc(S(=O)(=O)N3C[C@@H](C)O[C@@H](C)C3)cc2)cc1	ZINC000012542279	553390463	/nfs/dbraw/zinc/39/04/63/553390463.db2.gz	WRDQFQNNBVHFNP-KDURUIRLSA-N	0	0	503.621	3.492	50	0		KGAARN
CCOC(=O)c1c(C2CC2)csc1NC(=O)COC(=O)CNS(=O)(=O)c1ccc2ccccc2c1	ZINC000012542563	553390570	/nfs/dbraw/zinc/39/05/70/553390570.db2.gz	ACCWUNHDWIFPRD-UHFFFAOYSA-N	0	0	516.597	3.416	50	0		KGAARN
CCN(C(=O)CSc1nnc(COc2ccccc2F)n1-c1ccccc1)[C@@H]1CCS(=O)(=O)C1	ZINC000012542588	553390840	/nfs/dbraw/zinc/39/08/40/553390840.db2.gz	HIEKTMDTOVDHKB-GOSISDBHSA-N	0	0	504.609	3.113	50	0		KGAARN
CCN(C(=O)CSc1nnc(COc2ccccc2F)n1-c1ccccc1)[C@H]1CCS(=O)(=O)C1	ZINC000012542589	553390861	/nfs/dbraw/zinc/39/08/61/553390861.db2.gz	HIEKTMDTOVDHKB-SFHVURJKSA-N	0	0	504.609	3.113	50	0		KGAARN
O=C(CN1CCN(c2ccc(F)cc2)CC1)NCCN1C(=O)S/C(=C\c2ccccc2Cl)C1=O	ZINC000012542608	553390848	/nfs/dbraw/zinc/39/08/48/553390848.db2.gz	YUMXUJARVUERMM-QNGOZBTKSA-N	0	0	502.999	3.454	50	0		KGAARN
Cc1ccc2[nH]c(SCC(=O)Nc3cc(S(=O)(=O)N4CCOCC4)ccc3N3CCCC3)nc2c1	ZINC000012542712	553390858	/nfs/dbraw/zinc/39/08/58/553390858.db2.gz	RLRVIVSEAQEUIX-UHFFFAOYSA-N	0	0	515.661	3.223	50	0		KGAARN
COc1cc(C(=O)N[C@@H](CCSC)C(=O)OCc2nnc(-c3ccccc3)o2)cc(OC)c1OC	ZINC000012542724	553390867	/nfs/dbraw/zinc/39/08/67/553390867.db2.gz	TUVSSSLDXIDRHY-KRWDZBQOSA-N	0	0	501.561	3.357	50	0		KGAARN
COc1cc(C(=O)N[C@H](CCSC)C(=O)OCc2nnc(-c3ccccc3)o2)cc(OC)c1OC	ZINC000012542725	553390842	/nfs/dbraw/zinc/39/08/42/553390842.db2.gz	TUVSSSLDXIDRHY-QGZVFWFLSA-N	0	0	501.561	3.357	50	0		KGAARN
CCN(C(=O)CSc1nnc(-c2ccccc2OC)n1-c1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1	ZINC000012542887	553391008	/nfs/dbraw/zinc/39/10/08/553391008.db2.gz	MVSOEFZJNRPXDC-GOSISDBHSA-N	0	0	516.645	3.079	50	0		KGAARN
CCN(C(=O)CSc1nnc(-c2ccccc2OC)n1-c1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1	ZINC000012542888	553391022	/nfs/dbraw/zinc/39/10/22/553391022.db2.gz	MVSOEFZJNRPXDC-SFHVURJKSA-N	0	0	516.645	3.079	50	0		KGAARN
COc1cccc(NCc2nnc(SCC(=O)N(C)[C@@H]3CCS(=O)(=O)C3)n2C2CCCCC2)c1	ZINC000012545458	553391238	/nfs/dbraw/zinc/39/12/38/553391238.db2.gz	QWEOFIQNHMWKGF-LJQANCHMSA-N	0	0	507.682	3.142	50	0		KGAARN
COc1cccc(NCc2nnc(SCC(=O)N(C)[C@H]3CCS(=O)(=O)C3)n2C2CCCCC2)c1	ZINC000012545459	553391213	/nfs/dbraw/zinc/39/12/13/553391213.db2.gz	QWEOFIQNHMWKGF-IBGZPJMESA-N	0	0	507.682	3.142	50	0		KGAARN
CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)OCC(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C)n2C	ZINC000012546308	553391458	/nfs/dbraw/zinc/39/14/58/553391458.db2.gz	ATAMOSSHEZJBPU-WSTZPKSXSA-N	0	0	506.669	3.021	50	0		KGAARN
CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)OCC(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C)n2C	ZINC000012546310	553391434	/nfs/dbraw/zinc/39/14/34/553391434.db2.gz	ATAMOSSHEZJBPU-CMKODMSKSA-N	0	0	506.669	3.021	50	0		KGAARN
Cc1ccc(-n2c(SCCCn3c(=O)c4c(ncn4C)n(C)c3=O)nnc2-c2ccccc2)cc1C	ZINC000012546455	553391548	/nfs/dbraw/zinc/39/15/48/553391548.db2.gz	BSLWFYAEJSWGHX-UHFFFAOYSA-N	0	0	501.616	3.481	50	0		KGAARN
CCOC(=O)c1[nH]c(C)c(C(=O)OCC(=O)Nc2cc(OCC)c(N3CCOCC3)cc2OCC)c1C	ZINC000012546989	553392292	/nfs/dbraw/zinc/39/22/92/553392292.db2.gz	FCRLQKAWXSRRQT-UHFFFAOYSA-N	0	0	517.579	3.238	50	0		KGAARN
COc1ccc(S(=O)(=O)N(C)C)cc1Nc1nc(CN2CCOCC2)nc2sc3c(c21)CCC3	ZINC000012547066	553392295	/nfs/dbraw/zinc/39/22/95/553392295.db2.gz	GDWFPTKHYYNGTH-UHFFFAOYSA-N	0	0	503.650	3.015	50	0		KGAARN
CCCN(C(=O)c1cc(S(=O)(=O)N(C)c2ccc(OCC)cc2)ccc1C)[C@@H]1CCS(=O)(=O)C1	ZINC000012548755	553392301	/nfs/dbraw/zinc/39/23/01/553392301.db2.gz	OEAMKLIUYUKTMD-HXUWFJFHSA-N	0	0	508.662	3.258	50	0		KGAARN
CCCN(C(=O)c1cc(S(=O)(=O)N(C)c2ccc(OCC)cc2)ccc1C)[C@H]1CCS(=O)(=O)C1	ZINC000012548756	553392278	/nfs/dbraw/zinc/39/22/78/553392278.db2.gz	OEAMKLIUYUKTMD-FQEVSTJZSA-N	0	0	508.662	3.258	50	0		KGAARN
CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)c1	ZINC000012549183	553392522	/nfs/dbraw/zinc/39/25/22/553392522.db2.gz	XGWOVKDBZGMULR-QFIPXVFZSA-N	0	0	506.024	3.019	50	0		KGAARN
CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)c1	ZINC000012549185	553392523	/nfs/dbraw/zinc/39/25/23/553392523.db2.gz	XGWOVKDBZGMULR-JOCHJYFZSA-N	0	0	506.024	3.019	50	0		KGAARN
Cc1c(N(C)S(=O)(=O)c2ccc(Cl)c(C(=O)NCc3ccco3)c2)c(=O)n(-c2ccccc2)n1C	ZINC000012549279	553392535	/nfs/dbraw/zinc/39/25/35/553392535.db2.gz	OMNJYCUZLNVSHI-UHFFFAOYSA-N	0	0	514.991	3.486	50	0		KGAARN
O=C(Nc1ccc(F)cc1)[C@H](c1ccccc1)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1	ZINC000012549293	553392504	/nfs/dbraw/zinc/39/25/04/553392504.db2.gz	IHGLGLPNOBYEKO-VWLOTQADSA-N	0	0	511.575	3.283	50	0		KGAARN
O=C(Nc1ccc(F)cc1)[C@@H](c1ccccc1)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1	ZINC000012549294	553392517	/nfs/dbraw/zinc/39/25/17/553392517.db2.gz	IHGLGLPNOBYEKO-RUZDIDTESA-N	0	0	511.575	3.283	50	0		KGAARN
O=C(C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1ccc(F)cc1)N1CCN(c2ncccn2)CC1	ZINC000012550506	553392926	/nfs/dbraw/zinc/39/29/26/553392926.db2.gz	TXIQJISXVFGYHT-OAQYLSRUSA-N	0	0	503.987	3.028	50	0		KGAARN
O=C(C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1ccc(F)cc1)N1CCN(c2ncccn2)CC1	ZINC000012550509	553392912	/nfs/dbraw/zinc/39/29/12/553392912.db2.gz	TXIQJISXVFGYHT-NRFANRHFSA-N	0	0	503.987	3.028	50	0		KGAARN
O=C(CN(CCCN1CCCC1=O)CC(=O)NC12CC3CC(CC(C3)C1)C2)NC12CC3CC(CC(C3)C1)C2	ZINC000012551006	553392927	/nfs/dbraw/zinc/39/29/27/553392927.db2.gz	GVWQYPAEAGYJPY-UHFFFAOYSA-N	0	0	524.750	3.471	50	0		KGAARN
O=C(c1ccc(CNS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1)N1CCN(c2ncccn2)CC1	ZINC000012551541	553393184	/nfs/dbraw/zinc/39/31/84/553393184.db2.gz	YAHFJAFGYGWCPJ-UHFFFAOYSA-N	0	0	506.415	3.224	50	0		KGAARN
O=C(Nc1cc(S(=O)(=O)N2CCCCC2)ccc1OCC(F)(F)F)c1ccccc1-n1cnnn1	ZINC000012551695	553393177	/nfs/dbraw/zinc/39/31/77/553393177.db2.gz	AKGOCHRMEKSEAK-UHFFFAOYSA-N	0	0	510.498	3.030	50	0		KGAARN
COc1ccc(-n2c(=O)c3ccccc3nc2SCC(=O)NCCCN2CCCC2=O)cc1Cl	ZINC000012551961	553393233	/nfs/dbraw/zinc/39/32/33/553393233.db2.gz	XWNCWUZZCSGSDC-UHFFFAOYSA-N	0	0	501.008	3.269	50	0		KGAARN
O=C(COC(=O)c1cc(Br)ccc1O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1Cl	ZINC000012555393	553393290	/nfs/dbraw/zinc/39/32/90/553393290.db2.gz	PKBQLARIDWKGAI-UHFFFAOYSA-N	0	0	517.785	3.388	50	0		KGAARN
COc1ccc(CNC(=O)CSc2nnc(SCC(=O)NCc3ccc(OC)cc3)s2)cc1	ZINC000012555413	553393261	/nfs/dbraw/zinc/39/32/61/553393261.db2.gz	QNCBDEZTILFESV-UHFFFAOYSA-N	0	0	504.659	3.372	50	0		KGAARN
C[C@@H]1CCc2nc3ccccc3c(C(=O)OCC(=O)Nc3cccc(S(=O)(=O)N4CCOCC4)c3)c2C1	ZINC000012555454	553393271	/nfs/dbraw/zinc/39/32/71/553393271.db2.gz	DTBKJHIVDWMFPC-GOSISDBHSA-N	0	0	523.611	3.176	50	0		KGAARN
C[C@H]1CCc2nc3ccccc3c(C(=O)OCC(=O)Nc3cccc(S(=O)(=O)N4CCOCC4)c3)c2C1	ZINC000012555456	553393263	/nfs/dbraw/zinc/39/32/63/553393263.db2.gz	DTBKJHIVDWMFPC-SFHVURJKSA-N	0	0	523.611	3.176	50	0		KGAARN
CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)ccc1Cl	ZINC000012561130	553394601	/nfs/dbraw/zinc/39/46/01/553394601.db2.gz	YVWXBRDNSGCIQE-UHFFFAOYSA-N	0	0	500.042	3.407	50	0		KGAARN
CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)c1	ZINC000012561414	553394720	/nfs/dbraw/zinc/39/47/20/553394720.db2.gz	ODKHVHYQIDXQQP-UHFFFAOYSA-N	0	0	500.042	3.407	50	0		KGAARN
COc1ccc(NS(=O)(=O)c2cc(NC(=S)NC(=O)c3ccco3)ccc2N2CCOCC2)cc1	ZINC000012561732	553394813	/nfs/dbraw/zinc/39/48/13/553394813.db2.gz	FRGZYFMCQUVNIN-UHFFFAOYSA-N	0	0	516.601	3.052	50	0		KGAARN
CCN(CC)c1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)/C=C/c1ccc(OC)c(OC)c1	ZINC000012562039	553394765	/nfs/dbraw/zinc/39/47/65/553394765.db2.gz	UQRBAWPNIAOCFH-XYOKQWHBSA-N	0	0	503.621	3.223	50	0		KGAARN
COc1ccc(/C=C/C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCCCC2)cc1OC	ZINC000012562041	553394923	/nfs/dbraw/zinc/39/49/23/553394923.db2.gz	YKHKQXBQPFOUJV-YRNVUSSQSA-N	0	0	515.632	3.367	50	0		KGAARN
CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)/C=C/c2ccc(OC)c(OC)c2)c1	ZINC000012562203	553394936	/nfs/dbraw/zinc/39/49/36/553394936.db2.gz	HPGWYVAWPPAWQO-XYOKQWHBSA-N	0	0	503.621	3.223	50	0		KGAARN
C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)NCCOC(=O)c3ccc(C(F)(F)F)cc3)c2)C[C@@H](C)O1	ZINC000012562243	553394940	/nfs/dbraw/zinc/39/49/40/553394940.db2.gz	GTDXVZNBGPINKQ-HZPDHXFCSA-N	0	0	514.522	3.090	50	0		KGAARN
C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)NCCOC(=O)c3ccc(C(F)(F)F)cc3)c2)C[C@H](C)O1	ZINC000012562247	553394930	/nfs/dbraw/zinc/39/49/30/553394930.db2.gz	GTDXVZNBGPINKQ-IYBDPMFKSA-N	0	0	514.522	3.090	50	0		KGAARN
C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)NCCOC(=O)c3ccc(C(F)(F)F)cc3)c2)C[C@H](C)O1	ZINC000012562249	553394965	/nfs/dbraw/zinc/39/49/65/553394965.db2.gz	GTDXVZNBGPINKQ-HOTGVXAUSA-N	0	0	514.522	3.090	50	0		KGAARN
COc1cc(/C=C/C(=O)N2CCN(C(=O)/C=C/c3cc(OC)c(OC)c(OC)c3)CC2)cc(OC)c1OC	ZINC000012562626	553394943	/nfs/dbraw/zinc/39/49/43/553394943.db2.gz	PHBFAEGGBMUDPF-FIFLTTCUSA-N	0	0	526.586	3.136	50	0		KGAARN
CCCCNc1ccc(S(N)(=O)=O)cc1NC(=O)c1ccc(Cl)c(S(=O)(=O)N(CC)CC)c1	ZINC000012562688	553395157	/nfs/dbraw/zinc/39/51/57/553395157.db2.gz	ZSVDVPIPKSICGS-UHFFFAOYSA-N	0	0	517.073	3.482	50	0		KGAARN
Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)COC(=O)c1ccccc1Cc1ccccc1	ZINC000012562911	553395155	/nfs/dbraw/zinc/39/51/55/553395155.db2.gz	COBNKSQPTWBTMW-UHFFFAOYSA-N	0	0	508.596	3.402	50	0		KGAARN
Cc1ccc(NC(=O)COC(=O)c2ccccc2Cc2ccccc2)cc1S(=O)(=O)N1CCOCC1	ZINC000012563099	553395363	/nfs/dbraw/zinc/39/53/63/553395363.db2.gz	BVBSKPCDIMOHSB-UHFFFAOYSA-N	0	0	508.596	3.402	50	0		KGAARN
O=C(COC(=O)C1(c2ccc(Cl)cc2)CCCC1)Nc1cccc(S(=O)(=O)N2CCOCC2)c1	ZINC000012563413	553395544	/nfs/dbraw/zinc/39/55/44/553395544.db2.gz	WCZABXLAAZKYHS-UHFFFAOYSA-N	0	0	507.008	3.355	50	0		KGAARN
Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1O	ZINC000012563509	553395819	/nfs/dbraw/zinc/39/58/19/553395819.db2.gz	NOUPFDZMWFPMQC-UHFFFAOYSA-N	0	0	521.661	3.302	50	0		KGAARN
CCOc1ccc(S(=O)(=O)N(C)c2ccc(OCC(=O)NCc3ccc(C(=O)OC)cc3)cc2)cc1	ZINC000012563580	553395809	/nfs/dbraw/zinc/39/58/09/553395809.db2.gz	NZQBIQNXXWGTCK-UHFFFAOYSA-N	0	0	512.584	3.392	50	0		KGAARN
Cc1ccc(C(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2O)cc1S(=O)(=O)N1CCCCC1	ZINC000012563616	553395866	/nfs/dbraw/zinc/39/58/66/553395866.db2.gz	XUADQYBGYVRWTI-UHFFFAOYSA-N	0	0	521.661	3.302	50	0		KGAARN
Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)COC(=O)C(C)(C)Oc1ccc(Cl)cc1	ZINC000012563706	553395884	/nfs/dbraw/zinc/39/58/84/553395884.db2.gz	YTUCZJIZDICYCV-UHFFFAOYSA-N	0	0	510.996	3.009	50	0		KGAARN
CCOc1ccc(-n2c(SCC(=O)Nc3cccc(S(N)(=O)=O)c3)nnc2-c2cccnc2)cc1	ZINC000012563715	553395888	/nfs/dbraw/zinc/39/58/88/553395888.db2.gz	RSIDBLVXKBUHIK-UHFFFAOYSA-N	0	0	510.601	3.106	50	0		KGAARN
CCOC(=O)C1CCN(C(=O)COc2ccc(N(C)S(=O)(=O)c3ccc(OCC)cc3)cc2)CC1	ZINC000012563905	553396047	/nfs/dbraw/zinc/39/60/47/553396047.db2.gz	RTYNNJMNTWMYAM-UHFFFAOYSA-N	0	0	504.605	3.091	50	0		KGAARN
O=C(COC(=O)c1cc2ccccc2oc1=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl	ZINC000012563957	553396027	/nfs/dbraw/zinc/39/60/27/553396027.db2.gz	OAMMYBXVWMBPEP-UHFFFAOYSA-N	0	0	504.948	3.417	50	0		KGAARN
Cc1ccc(NC(=O)COC(=O)c2ccccc2OCc2ccccc2)cc1S(=O)(=O)N1CCOCC1	ZINC000012563996	553396038	/nfs/dbraw/zinc/39/60/38/553396038.db2.gz	VECAIZHLCKMKSW-UHFFFAOYSA-N	0	0	524.595	3.390	50	0		KGAARN
Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)COC(=O)c1ccccc1OCc1ccccc1	ZINC000012564014	553396025	/nfs/dbraw/zinc/39/60/25/553396025.db2.gz	YBRNZIRQAZXZSW-UHFFFAOYSA-N	0	0	524.595	3.390	50	0		KGAARN
COc1ccc(NS(=O)(=O)c2cc(NC(=O)c3ccc4c(c3)OCO4)ccc2N2CCOCC2)cc1	ZINC000012564280	553396031	/nfs/dbraw/zinc/39/60/31/553396031.db2.gz	GKHGSNAXKJARHN-UHFFFAOYSA-N	0	0	511.556	3.314	50	0		KGAARN
O=C(c1cccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)c1)N1CCN(Cc2ccccc2)CC1	ZINC000012564499	553396266	/nfs/dbraw/zinc/39/62/66/553396266.db2.gz	QWJZASKBQRUVFD-UHFFFAOYSA-N	0	0	518.683	3.151	50	0		KGAARN
O=C(CN1C(=O)N[C@@]2(CCOc3ccccc32)C1=O)Nc1ccc(Br)cc1Br	ZINC000012565516	553396632	/nfs/dbraw/zinc/39/66/32/553396632.db2.gz	XLAIAIDJMRZNKY-LJQANCHMSA-N	0	0	509.154	3.380	50	0		KGAARN
O=C(CN1C(=O)N[C@]2(CCOc3ccccc32)C1=O)Nc1ccc(Br)cc1Br	ZINC000012565517	553396616	/nfs/dbraw/zinc/39/66/16/553396616.db2.gz	XLAIAIDJMRZNKY-IBGZPJMESA-N	0	0	509.154	3.380	50	0		KGAARN
COc1ccc(OC)c(C(=O)COC(=O)c2cccc(C(=O)OCC(=O)c3cc(OC)ccc3OC)n2)c1	ZINC000012565794	553396784	/nfs/dbraw/zinc/39/67/84/553396784.db2.gz	PQWLECGTFYCKQC-UHFFFAOYSA-N	0	0	523.494	3.195	50	0		KGAARN
COc1cc(/C=C/C(=O)N2CCN(Cc3ccccc3)CC2)cc(S(=O)(=O)NCc2ccco2)c1OC	ZINC000012566480	553397107	/nfs/dbraw/zinc/39/71/07/553397107.db2.gz	OGFYOHMUWNCBPT-ZHACJKMWSA-N	0	0	525.627	3.133	50	0		KGAARN
COc1ccc(N(CC(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)S(=O)(=O)c2cccc(C)c2)cc1	ZINC000012566837	553397392	/nfs/dbraw/zinc/39/73/92/553397392.db2.gz	CMHRERYQQRRGPE-UHFFFAOYSA-N	0	0	517.629	3.088	50	0		KGAARN
O=C(c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)N1CCN(C(c2ccccc2)c2ccccc2)CC1	ZINC000012566954	553397397	/nfs/dbraw/zinc/39/73/97/553397397.db2.gz	APGSOFWPTWNSDT-UHFFFAOYSA-N	0	0	523.630	3.394	50	0		KGAARN
O=C(COC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1)N([C@@H]1CCS(=O)(=O)C1)C1CCCCC1	ZINC000012566962	553397371	/nfs/dbraw/zinc/39/73/71/553397371.db2.gz	MSPNQTMYFXPKKC-HXUWFJFHSA-N	0	0	531.597	3.208	50	0		KGAARN
O=C(COC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1)N([C@H]1CCS(=O)(=O)C1)C1CCCCC1	ZINC000012566963	553397399	/nfs/dbraw/zinc/39/73/99/553397399.db2.gz	MSPNQTMYFXPKKC-FQEVSTJZSA-N	0	0	531.597	3.208	50	0		KGAARN
O=S(=O)(Nc1ccc(Cl)cc1)c1ccc(N2CCCC2)c(NC(=S)NCCN2CCOCC2)c1	ZINC000012567015	553397375	/nfs/dbraw/zinc/39/73/75/553397375.db2.gz	LZKWBUGWJWTUCN-UHFFFAOYSA-N	0	0	524.112	3.360	50	0		KGAARN
CNS(=O)(=O)c1cc(C(=O)Nc2nnc(SCc3ccc(C(=O)OC)cc3)s2)ccc1Cl	ZINC000012567017	553397364	/nfs/dbraw/zinc/39/73/64/553397364.db2.gz	RLXIUTYCIILIAE-UHFFFAOYSA-N	0	0	513.022	3.431	50	0		KGAARN
CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1	ZINC000012567237	553397511	/nfs/dbraw/zinc/39/75/11/553397511.db2.gz	KHVXXKISQFJULH-UHFFFAOYSA-N	0	0	504.996	3.463	50	0		KGAARN
CCOC(=O)c1ccccc1NC(=O)CN1C(=O)NC(c2ccc(OC)cc2)(c2ccc(OC)cc2)C1=O	ZINC000012567314	553397508	/nfs/dbraw/zinc/39/75/08/553397508.db2.gz	SUIAQMGRRNFGBX-UHFFFAOYSA-N	0	0	517.538	3.315	50	0		KGAARN
CCCCN(C(=O)CSc1nnc2sc3ccccc3n12)c1c(N)n(CCCC)c(=O)[nH]c1=O	ZINC000012567583	553397568	/nfs/dbraw/zinc/39/75/68/553397568.db2.gz	SZCGFDODRQCEPO-UHFFFAOYSA-N	0	0	501.638	3.102	50	0		KGAARN
C[C@@]1(c2ccccc2)NC(=O)N(NC(=O)COC(=O)c2cc(-c3cccs3)nn2-c2ccccc2)C1=O	ZINC000012567589	553397489	/nfs/dbraw/zinc/39/74/89/553397489.db2.gz	BVIMXYDGXMCWET-SANMLTNESA-N	0	0	515.551	3.256	50	0		KGAARN
C[C@]1(c2ccccc2)NC(=O)N(NC(=O)COC(=O)c2cc(-c3cccs3)nn2-c2ccccc2)C1=O	ZINC000012567590	553397576	/nfs/dbraw/zinc/39/75/76/553397576.db2.gz	BVIMXYDGXMCWET-AREMUKBSSA-N	0	0	515.551	3.256	50	0		KGAARN
COc1ccc(N(Cc2ccccc2)S(=O)(=O)c2cccc(C(=O)OCC(=O)N3CCOCC3)c2)cc1	ZINC000012567728	553397541	/nfs/dbraw/zinc/39/75/41/553397541.db2.gz	ZMFBBVFZDASMAC-UHFFFAOYSA-N	0	0	524.595	3.106	50	0		KGAARN
COCCOc1ccc(C(F)(F)F)cc1NC(=O)CN1C(=O)N[C@@](C)(c2ccc(OC)c(OC)c2)C1=O	ZINC000012568018	553397524	/nfs/dbraw/zinc/39/75/24/553397524.db2.gz	GSXLTMZZVLIACX-QHCPKHFHSA-N	0	0	525.480	3.154	50	0		KGAARN
COCCOc1ccc(C(F)(F)F)cc1NC(=O)CN1C(=O)N[C@](C)(c2ccc(OC)c(OC)c2)C1=O	ZINC000012568019	553397549	/nfs/dbraw/zinc/39/75/49/553397549.db2.gz	GSXLTMZZVLIACX-HSZRJFAPSA-N	0	0	525.480	3.154	50	0		KGAARN
COc1cc(C(=O)OCc2nc3ccsc3c(=O)[nH]2)cc(CN2C(=O)c3ccccc3C2=O)c1OC	ZINC000012568152	553397730	/nfs/dbraw/zinc/39/77/30/553397730.db2.gz	HJTFTWMOTOMYHE-UHFFFAOYSA-N	0	0	505.508	3.155	50	0		KGAARN
CN(CC(=O)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1)C1=NS(=O)(=O)c2ccccc21	ZINC000012568269	553397727	/nfs/dbraw/zinc/39/77/27/553397727.db2.gz	MQTAILKWUOGHAH-UHFFFAOYSA-N	0	0	524.593	3.279	50	0		KGAARN
C[C@@H](Sc1nc2cc(S(=O)(=O)N3CCCCC3)ccc2o1)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1	ZINC000012568390	553397888	/nfs/dbraw/zinc/39/78/88/553397888.db2.gz	JZGUMUIJEOWSJG-CYBMUJFWSA-N	0	0	501.590	3.291	50	0		KGAARN
C[C@H](Sc1nc2cc(S(=O)(=O)N3CCCCC3)ccc2o1)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1	ZINC000012568391	553397970	/nfs/dbraw/zinc/39/79/70/553397970.db2.gz	JZGUMUIJEOWSJG-ZDUSSCGKSA-N	0	0	501.590	3.291	50	0		KGAARN
CCOC(=O)c1c(-c2ccc(C)o2)csc1NC(=O)CN1CCN(S(=O)(=O)c2ccccc2)CC1	ZINC000012568399	553397900	/nfs/dbraw/zinc/39/79/00/553397900.db2.gz	RGSPBEOAILLDJF-UHFFFAOYSA-N	0	0	517.629	3.438	50	0		KGAARN
O=C(CNC(=O)c1sc2ccccc2c1Cl)OCc1cccc(S(=O)(=O)N2CCOCC2)c1	ZINC000012569399	553397965	/nfs/dbraw/zinc/39/79/65/553397965.db2.gz	KMPOMPFZMWTNSO-UHFFFAOYSA-N	0	0	509.005	3.049	50	0		KGAARN
O=C(/C=C/c1ccc2c(c1)OCO2)OCC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl	ZINC000012569764	553398005	/nfs/dbraw/zinc/39/80/05/553398005.db2.gz	QXEGFTBFXREZGK-WEVVVXLNSA-N	0	0	506.964	3.438	50	0		KGAARN
COc1cc(C(=O)NCCOC(=O)c2ccc(S(=O)(=O)Nc3ccccc3)cc2)cc(OC)c1OC	ZINC000012569833	553398027	/nfs/dbraw/zinc/39/80/27/553398027.db2.gz	LBORWKSEXXCHDL-UHFFFAOYSA-N	0	0	514.556	3.100	50	0		KGAARN
COc1ccc(NS(=O)(=O)c2cc(NC(=O)COc3ccc(OC)cc3)ccc2N2CCOCC2)cc1	ZINC000012570248	553398323	/nfs/dbraw/zinc/39/83/23/553398323.db2.gz	NWSVHUSSXFUNLI-UHFFFAOYSA-N	0	0	527.599	3.359	50	0		KGAARN
O=C(COc1ccc(Cl)cc1)OCCNC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1	ZINC000012573159	553398502	/nfs/dbraw/zinc/39/85/02/553398502.db2.gz	MFNXXIXJLMCDOQ-UHFFFAOYSA-N	0	0	501.388	3.130	50	0		KGAARN
CCOC(=O)c1cc(CC)sc1NC(=O)COC(=O)c1ccc(OC)c(S(=O)(=O)N2CCCC2)c1	ZINC000012577518	553398644	/nfs/dbraw/zinc/39/86/44/553398644.db2.gz	ZQPIJPNOQQEPHK-UHFFFAOYSA-N	0	0	524.617	3.076	50	0		KGAARN
COCCOC(=O)c1c(C)c(C(N)=O)sc1NC(=O)COC(=O)CCCc1nc2ccccc2s1	ZINC000012579270	553398906	/nfs/dbraw/zinc/39/89/06/553398906.db2.gz	YJGMYTUNMBQSFC-UHFFFAOYSA-N	0	0	519.601	3.073	50	0		KGAARN
O=C(COC(=O)c1cc(Cl)cc(Cl)c1)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1	ZINC000012581592	553399243	/nfs/dbraw/zinc/39/92/43/553399243.db2.gz	SAALTRAGZHUPQW-UHFFFAOYSA-N	0	0	507.779	3.463	50	0		KGAARN
O=C(COC(=O)c1cc(S(=O)(=O)N2CCN(c3ccccc3)CC2)ccc1Cl)N1CCCCC1	ZINC000012581696	553399268	/nfs/dbraw/zinc/39/92/68/553399268.db2.gz	UHFHIXDSYPYDLZ-UHFFFAOYSA-N	0	0	506.024	3.020	50	0		KGAARN
Cc1ccc(NC(=O)COC(=O)C2(c3ccccc3F)CCCC2)cc1S(=O)(=O)N1CCOCC1	ZINC000012582231	553399288	/nfs/dbraw/zinc/39/92/88/553399288.db2.gz	STKQDFBIBQYUQI-UHFFFAOYSA-N	0	0	504.580	3.149	50	0		KGAARN
CCOC(=O)c1sc(NC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)nc1-c1ccccc1	ZINC000012583381	553399475	/nfs/dbraw/zinc/39/94/75/553399475.db2.gz	GFDVNZIPLPCIFJ-UHFFFAOYSA-N	0	0	501.586	3.260	50	0		KGAARN
O=C(COC(=O)c1cc(=O)c2ccccc2o1)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl	ZINC000012588271	553399851	/nfs/dbraw/zinc/39/98/51/553399851.db2.gz	OAIGSJBGRJVSNH-UHFFFAOYSA-N	0	0	504.948	3.417	50	0		KGAARN
Cc1c(NC(=O)COC(=O)CNC(=O)c2ccc(Oc3ccccc3)cc2)c(=O)n(-c2ccccc2)n1C	ZINC000012589610	553399977	/nfs/dbraw/zinc/39/99/77/553399977.db2.gz	DYCGRGMFEWBZGD-UHFFFAOYSA-N	0	0	514.538	3.188	50	0		KGAARN
Cc1cc(C(=O)COC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)c(C)n1C[C@@H]1COc2ccccc2O1	ZINC000012590192	553400236	/nfs/dbraw/zinc/40/02/36/553400236.db2.gz	QNIMGDLNBRDSDH-QGZVFWFLSA-N	0	0	518.975	3.285	50	0		KGAARN
Cc1cc(C(=O)COC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)c(C)n1C[C@H]1COc2ccccc2O1	ZINC000012590199	553400207	/nfs/dbraw/zinc/40/02/07/553400207.db2.gz	QNIMGDLNBRDSDH-KRWDZBQOSA-N	0	0	518.975	3.285	50	0		KGAARN
O=C(CSc1nnc(Nc2ccccc2F)s1)Nc1cccc(S(=O)(=O)N2CCOCC2)c1	ZINC000012591834	553400645	/nfs/dbraw/zinc/40/06/45/553400645.db2.gz	MCINEQIXRHPSJX-UHFFFAOYSA-N	0	0	509.610	3.173	50	0		KGAARN
Cc1ccc(Nc2nnc(SCC(=O)Nc3cccc(S(=O)(=O)N4CCOCC4)c3)s2)cc1	ZINC000012591855	553400640	/nfs/dbraw/zinc/40/06/40/553400640.db2.gz	DZELKOBLCOTDFN-UHFFFAOYSA-N	0	0	505.647	3.342	50	0		KGAARN
O=C(COC(=O)c1cc(F)c(F)cc1Cl)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl	ZINC000012591874	553400670	/nfs/dbraw/zinc/40/06/70/553400670.db2.gz	WJVCTGVCWDKYLK-UHFFFAOYSA-N	0	0	509.314	3.088	50	0		KGAARN
CCc1ccc(-c2nc(SCC(=O)N3CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)n[nH]2)cc1	ZINC000012596360	553400579	/nfs/dbraw/zinc/40/05/79/553400579.db2.gz	MPPJURIWTLHKHP-UHFFFAOYSA-N	0	0	506.053	3.313	50	0		KGAARN
CCOC(=O)c1c(C)[nH]c(C(=O)OCC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)c1C	ZINC000012596465	553400607	/nfs/dbraw/zinc/40/06/07/553400607.db2.gz	UDSFNLZPPSYCSP-UHFFFAOYSA-N	0	0	526.011	3.432	50	0		KGAARN
CCN(CC)S(=O)(=O)c1cccc(NC(=O)COC(=O)[C@@H](NC(=O)c2ccccc2Cl)C(C)C)c1	ZINC000012598890	553400858	/nfs/dbraw/zinc/40/08/58/553400858.db2.gz	SELXGABGFNDDHT-QFIPXVFZSA-N	0	0	524.039	3.307	50	0		KGAARN
CCN(CC)S(=O)(=O)c1cccc(NC(=O)COC(=O)[C@H](NC(=O)c2ccccc2Cl)C(C)C)c1	ZINC000012598891	553400850	/nfs/dbraw/zinc/40/08/50/553400850.db2.gz	SELXGABGFNDDHT-JOCHJYFZSA-N	0	0	524.039	3.307	50	0		KGAARN
COc1cc(/C=C/C(=O)OCC(=O)NC2CCCC2)cc(S(=O)(=O)N2CCc3ccccc32)c1OC	ZINC000012599492	553400880	/nfs/dbraw/zinc/40/08/80/553400880.db2.gz	OUTHUCSYHFOTMJ-VAWYXSNFSA-N	0	0	514.600	3.070	50	0		KGAARN
O=C(CSc1nnc(-c2ccc3c(c2)OCO3)o1)Nc1cccc(S(=O)(=O)N2CCCCC2)c1	ZINC000012599730	553401033	/nfs/dbraw/zinc/40/10/33/553401033.db2.gz	ACHSKFJZPFIKER-UHFFFAOYSA-N	0	0	502.574	3.371	50	0		KGAARN
O=C(COC(=O)c1cc(=O)[nH]c2ccccc21)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl	ZINC000012600008	553401247	/nfs/dbraw/zinc/40/12/47/553401247.db2.gz	WSYSQAVQEPBFEY-UHFFFAOYSA-N	0	0	503.964	3.152	50	0		KGAARN
Cc1ccc(C(=O)OCC(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1NC(=O)c1ccco1	ZINC000012600445	553401460	/nfs/dbraw/zinc/40/14/60/553401460.db2.gz	NDADPQMDZKGMKT-UHFFFAOYSA-N	0	0	511.556	3.420	50	0		KGAARN
CC(=O)Oc1cc(C(=O)OCC(=O)N2CCC(Cc3ccccc3)CC2)cc(OC(C)=O)c1OC(C)=O	ZINC000012600664	553401631	/nfs/dbraw/zinc/40/16/31/553401631.db2.gz	BTRXDSRPVHXSLT-UHFFFAOYSA-N	0	0	511.527	3.101	50	0		KGAARN
Cc1ccc(NC(=O)COC(=O)Cc2c(Cl)cccc2Cl)cc1S(=O)(=O)N1CCOCC1	ZINC000012617861	553402922	/nfs/dbraw/zinc/40/29/22/553402922.db2.gz	BGHIKXTUCYGTAI-UHFFFAOYSA-N	0	0	501.388	3.047	50	0		KGAARN
Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N(C[C@@H]1CCCO1)c1nc2ccccc2s1	ZINC000012620184	553403407	/nfs/dbraw/zinc/40/34/07/553403407.db2.gz	BOXRKWSZGOUILB-SFHVURJKSA-N	0	0	501.630	3.451	50	0		KGAARN
Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N(C[C@H]1CCCO1)c1nc2ccccc2s1	ZINC000012620188	553403397	/nfs/dbraw/zinc/40/33/97/553403397.db2.gz	BOXRKWSZGOUILB-GOSISDBHSA-N	0	0	501.630	3.451	50	0		KGAARN
Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CN1C(=O)N[C@@](C)(c2ccc(Cl)cc2)C1=O	ZINC000012620876	553403511	/nfs/dbraw/zinc/40/35/11/553403511.db2.gz	AVPZJJYVZWIDRS-DEOSSOPVSA-N	0	0	519.023	3.229	50	0		KGAARN
Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CN1C(=O)N[C@](C)(c2ccc(Cl)cc2)C1=O	ZINC000012620879	553403433	/nfs/dbraw/zinc/40/34/33/553403433.db2.gz	AVPZJJYVZWIDRS-XMMPIXPASA-N	0	0	519.023	3.229	50	0		KGAARN
CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)CN1C(=O)NC2(CCCCCCC2)C1=O	ZINC000012621249	553403699	/nfs/dbraw/zinc/40/36/99/553403699.db2.gz	RNTKNCPMHNPOFP-UHFFFAOYSA-N	0	0	502.612	3.294	50	0		KGAARN
O=C(COC(=O)CCCc1c[nH]c2ccccc12)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl	ZINC000012621625	553403685	/nfs/dbraw/zinc/40/36/85/553403685.db2.gz	IJRONPMUPQGPBE-UHFFFAOYSA-N	0	0	520.007	3.347	50	0		KGAARN
O=C(COc1ccc(S(=O)(=O)c2ccc(OCC(=O)N3CCCCC3)cc2)cc1)N1CCCCC1	ZINC000012623395	553404335	/nfs/dbraw/zinc/40/43/35/553404335.db2.gz	TWSCACKXKOPIMT-UHFFFAOYSA-N	0	0	500.617	3.302	50	0		KGAARN
CCOc1ccc(S(=O)(=O)NCCC(=O)Nc2ccccc2S(=O)(=O)N(C)C2CCCCC2)cc1	ZINC000012623428	553404328	/nfs/dbraw/zinc/40/43/28/553404328.db2.gz	QLWQYVYONPTDGW-UHFFFAOYSA-N	0	0	523.677	3.346	50	0		KGAARN
O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1-n1cncn1)c1cccc(Oc2ccccc2)c1	ZINC000012623927	553404513	/nfs/dbraw/zinc/40/45/13/553404513.db2.gz	UIAFMJVRMLFMRD-UHFFFAOYSA-N	0	0	505.556	3.333	50	0		KGAARN
CC(C)[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)OCC(=O)c1ccc(N(C)S(C)(=O)=O)cc1	ZINC000012624178	553404472	/nfs/dbraw/zinc/40/44/72/553404472.db2.gz	LMLVCHMZBPLIMU-DHUDBDOYSA-N	0	0	504.649	3.166	50	0		KGAARN
CC(C)[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)OCC(=O)c1ccc(N(C)S(C)(=O)=O)cc1	ZINC000012624181	553404509	/nfs/dbraw/zinc/40/45/09/553404509.db2.gz	LMLVCHMZBPLIMU-MHLWUJJFSA-N	0	0	504.649	3.166	50	0		KGAARN
CCN(CC)S(=O)(=O)c1cccc(-c2nn(CN3CCN(c4ccc(O)cc4)CC3)c(=S)o2)c1	ZINC000012624538	553404627	/nfs/dbraw/zinc/40/46/27/553404627.db2.gz	MYNWIVJLOYBPOA-UHFFFAOYSA-N	0	0	503.650	3.388	50	0		KGAARN
CCN(CC)S(=O)(=O)c1ccc(Cl)c(NC(=O)COC(=O)[C@@H](NC(=O)c2ccccc2)C(C)C)c1	ZINC000012624560	553404656	/nfs/dbraw/zinc/40/46/56/553404656.db2.gz	GBQFWNDWDRNLBD-QFIPXVFZSA-N	0	0	524.039	3.307	50	0		KGAARN
CC(=O)NC(=S)Nc1ccc(N2CCOCC2)c(S(=O)(=O)Nc2cc(Cl)ccc2Cl)c1	ZINC000012625537	553404955	/nfs/dbraw/zinc/40/49/55/553404955.db2.gz	HNZJVOCIVZLYKV-UHFFFAOYSA-N	0	0	503.433	3.464	50	0		KGAARN
CCOC(=O)N1CCc2c(sc(NC(=O)CN3CCOCC3)c2C(=O)Nc2cccc(Cl)c2)C1	ZINC000012628797	553405251	/nfs/dbraw/zinc/40/52/51/553405251.db2.gz	IPVPLOJHOJTCIO-UHFFFAOYSA-N	0	0	507.012	3.439	50	0		KGAARN
Cc1ccc(S(=O)(=O)N(C)C)cc1-n1c(=O)c2ccccc2nc1SCC(=O)N1CCCC[C@H]1C	ZINC000012630716	553405540	/nfs/dbraw/zinc/40/55/40/553405540.db2.gz	YMGNQDWYWDCLQJ-GOSISDBHSA-N	0	0	514.673	3.438	50	0		KGAARN
Cc1ccc(S(=O)(=O)N(C)C)cc1-n1c(=O)c2ccccc2nc1SCC(=O)N1CCCC[C@@H]1C	ZINC000012630720	553405535	/nfs/dbraw/zinc/40/55/35/553405535.db2.gz	YMGNQDWYWDCLQJ-SFHVURJKSA-N	0	0	514.673	3.438	50	0		KGAARN
COc1cc(C(=S)NCCCN2CCOCC2)ccc1OCC(=O)Nc1ccc(Br)cc1	ZINC000012632503	553405916	/nfs/dbraw/zinc/40/59/16/553405916.db2.gz	NDANMFRCOUDSDL-UHFFFAOYSA-N	0	0	522.465	3.463	50	0		KGAARN
COc1cc(C(=O)OCC(=O)Nc2nc(-c3ccc(C)cc3)cs2)ccc1OCC(=O)N1CCOCC1	ZINC000012632722	553405906	/nfs/dbraw/zinc/40/59/06/553405906.db2.gz	LUFFCIWVPUKHAV-UHFFFAOYSA-N	0	0	525.583	3.160	50	0		KGAARN
COCCN(CCOC)C(=O)COC(=O)c1ccccc1OCC(=O)Nc1cccc(C(F)(F)F)c1	ZINC000012632787	553405931	/nfs/dbraw/zinc/40/59/31/553405931.db2.gz	YMODEKJKWJCVGV-UHFFFAOYSA-N	0	0	512.481	3.001	50	0		KGAARN
CCCN(C(=O)CSc1nc2ccccc2c(=O)n1-c1cc(C)ccc1OC)[C@@H]1CCS(=O)(=O)C1	ZINC000012633218	553406083	/nfs/dbraw/zinc/40/60/83/553406083.db2.gz	ILVSHPSPOFKGIJ-GOSISDBHSA-N	0	0	515.657	3.221	50	0		KGAARN
CCCN(C(=O)CSc1nc2ccccc2c(=O)n1-c1cc(C)ccc1OC)[C@H]1CCS(=O)(=O)C1	ZINC000012633220	553406093	/nfs/dbraw/zinc/40/60/93/553406093.db2.gz	ILVSHPSPOFKGIJ-SFHVURJKSA-N	0	0	515.657	3.221	50	0		KGAARN
O=C(c1ccc(F)cc1)N1CCCC[C@@H](N2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)C1=O	ZINC000012633900	553406115	/nfs/dbraw/zinc/40/61/15/553406115.db2.gz	VDEHIVKZMGHPNI-QGZVFWFLSA-N	0	0	500.017	3.068	50	0		KGAARN
O=C(c1ccc(F)cc1)N1CCCC[C@H](N2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)C1=O	ZINC000012633901	553406173	/nfs/dbraw/zinc/40/61/73/553406173.db2.gz	VDEHIVKZMGHPNI-KRWDZBQOSA-N	0	0	500.017	3.068	50	0		KGAARN
C[C@@H](Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1)C(=O)N1c2ccccc2C[C@H]1C	ZINC000012634611	553406321	/nfs/dbraw/zinc/40/63/21/553406321.db2.gz	IANHDJFMDOBHQE-NHCUHLMSSA-N	0	0	512.676	3.476	50	0		KGAARN
C[C@@H](Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1)C(=O)N1c2ccccc2C[C@@H]1C	ZINC000012634613	553406324	/nfs/dbraw/zinc/40/63/24/553406324.db2.gz	IANHDJFMDOBHQE-LEWJYISDSA-N	0	0	512.676	3.476	50	0		KGAARN
C[C@H](Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1)C(=O)N1c2ccccc2C[C@H]1C	ZINC000012634615	553406297	/nfs/dbraw/zinc/40/62/97/553406297.db2.gz	IANHDJFMDOBHQE-RTWAWAEBSA-N	0	0	512.676	3.476	50	0		KGAARN
C[C@H](Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1)C(=O)N1c2ccccc2C[C@@H]1C	ZINC000012634618	553406319	/nfs/dbraw/zinc/40/63/19/553406319.db2.gz	IANHDJFMDOBHQE-SFTDATJTSA-N	0	0	512.676	3.476	50	0		KGAARN
O=C(COC(=O)C1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1)NC(=O)C1CCCCC1	ZINC000012634983	553406595	/nfs/dbraw/zinc/40/65/95/553406595.db2.gz	HDUSWKMEHIFIKB-UHFFFAOYSA-N	0	0	505.420	3.160	50	0		KGAARN
C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)COC(=O)c1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1	ZINC000012635352	553406723	/nfs/dbraw/zinc/40/67/23/553406723.db2.gz	XUZGHXHZJWXCHC-GCJKJVERSA-N	0	0	513.616	3.389	50	0		KGAARN
C[C@H]1CCCC[C@@H]1NC(=O)NC(=O)COC(=O)c1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1	ZINC000012635356	553406758	/nfs/dbraw/zinc/40/67/58/553406758.db2.gz	XUZGHXHZJWXCHC-AVRDEDQJSA-N	0	0	513.616	3.389	50	0		KGAARN
C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)COC(=O)c1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1	ZINC000012635362	553406756	/nfs/dbraw/zinc/40/67/56/553406756.db2.gz	XUZGHXHZJWXCHC-XMSQKQJNSA-N	0	0	513.616	3.389	50	0		KGAARN
C[C@H]1CCCC[C@H]1NC(=O)NC(=O)COC(=O)c1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1	ZINC000012635367	553406753	/nfs/dbraw/zinc/40/67/53/553406753.db2.gz	XUZGHXHZJWXCHC-PGRDOPGGSA-N	0	0	513.616	3.389	50	0		KGAARN
Cc1ccc(NC(=O)c2cccc(CN3C(=O)c4ccccc4C3=O)c2)cc1S(=O)(=O)N1CCOCC1	ZINC000012635733	553406954	/nfs/dbraw/zinc/40/69/54/553406954.db2.gz	WUPAHQVQJGIPCL-UHFFFAOYSA-N	0	0	519.579	3.064	50	0		KGAARN
CCOc1ccc(S(=O)(=O)NN/C=C2/c3ccccc3C(=O)N(Cc3ccc(OC)cc3)C2=O)cc1	ZINC000012636144	1059533072	/nfs/dbraw/zinc/53/30/72/1059533072.db2.gz	IVQUQAIWZMUVQT-JLPGSUDCSA-N	0	0	507.568	3.101	50	0		KGAARN
CC(C)[C@H](NC(=O)c1ccccc1)C(=O)OCC(=O)Nc1cccc(S(=O)(=O)N2CCCCCC2)c1	ZINC000012636492	553406952	/nfs/dbraw/zinc/40/69/52/553406952.db2.gz	MKRITZBVVFCOJZ-DEOSSOPVSA-N	0	0	515.632	3.188	50	0		KGAARN
COc1ccc(NC(=O)CNC(=O)COc2ccccc2)cc1S(=O)(=O)Nc1ccccc1Cl	ZINC000012636645	553407025	/nfs/dbraw/zinc/40/70/25/553407025.db2.gz	BTMWFNXSIBJOFL-UHFFFAOYSA-N	0	0	503.964	3.283	50	0		KGAARN
O=S(=O)(NC[C@@H](c1ccccc1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)c1ccccc1	ZINC000012637515	553407296	/nfs/dbraw/zinc/40/72/96/553407296.db2.gz	RYBXVYDVMTUEGL-DEOSSOPVSA-N	0	0	520.076	3.366	50	0		KGAARN
O=S(=O)(NC[C@H](c1ccccc1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)c1ccccc1	ZINC000012637525	553407284	/nfs/dbraw/zinc/40/72/84/553407284.db2.gz	RYBXVYDVMTUEGL-XMMPIXPASA-N	0	0	520.076	3.366	50	0		KGAARN
C[C@H](C(=O)Nc1cc(S(=O)(=O)Nc2cccc(Cl)c2)ccc1O)N1C(=O)[C@H]2CCCC[C@@H]2C1=O	ZINC000012637734	553407281	/nfs/dbraw/zinc/40/72/81/553407281.db2.gz	MTVRNILPOZADTJ-BVGQSLNGSA-N	0	0	505.980	3.349	50	0		KGAARN
COC(=O)c1ccc(/C=C/C(=O)OCC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)cc1	ZINC000012640994	553408311	/nfs/dbraw/zinc/40/83/11/553408311.db2.gz	LVTFSNGCBMBKSS-KPKJPENVSA-N	0	0	520.991	3.496	50	0		KGAARN
CCOc1ccc(NC(=O)c2ccc(NC(=O)COC(=O)c3cccc(S(=O)(=O)NC)c3)cc2)cc1	ZINC000012643977	553408753	/nfs/dbraw/zinc/40/87/53/553408753.db2.gz	OGGDDYLLSOKHEQ-UHFFFAOYSA-N	0	0	511.556	3.041	50	0		KGAARN
COc1ccc(-c2nc(SCC(=O)N3CCN(S(=O)(=O)c4ccc5ccccc5c4)CC3)n[nH]2)cc1	ZINC000012644002	553408731	/nfs/dbraw/zinc/40/87/31/553408731.db2.gz	CXFLLQHYBILJNS-UHFFFAOYSA-N	0	0	523.640	3.259	50	0		KGAARN
Cc1ccc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2C)cc1S(=O)(=O)N1CCOCC1	ZINC000012644341	553408668	/nfs/dbraw/zinc/40/86/68/553408668.db2.gz	MUQUGFRGWDUGJR-UHFFFAOYSA-N	0	0	522.052	3.196	50	0		KGAARN
COc1ccc(NC(=O)COC(=O)c2ccccc2Nc2ccccc2)cc1S(=O)(=O)N1CCOCC1	ZINC000012644364	553408759	/nfs/dbraw/zinc/40/87/59/553408759.db2.gz	UBVRRKDYVHCPSD-UHFFFAOYSA-N	0	0	525.583	3.255	50	0		KGAARN
O=C(COC(=O)CCSc1ccc(F)cc1)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1	ZINC000012644759	553408941	/nfs/dbraw/zinc/40/89/41/553408941.db2.gz	AARPRHLROWBLCN-UHFFFAOYSA-N	0	0	517.000	3.164	50	0		KGAARN
COc1ccc(Cl)cc1NC(=O)COc1ccc(C(=O)OCC(=O)N2C[C@H](C)O[C@@H](C)C2)cc1OC	ZINC000012648862	553409355	/nfs/dbraw/zinc/40/93/55/553409355.db2.gz	CFAXSKGKZSYWHA-HOTGVXAUSA-N	0	0	520.966	3.167	50	0		KGAARN
COc1ccc(Cl)cc1NC(=O)COc1ccc(C(=O)OCC(=O)N2C[C@@H](C)O[C@H](C)C2)cc1OC	ZINC000012648865	553409366	/nfs/dbraw/zinc/40/93/66/553409366.db2.gz	CFAXSKGKZSYWHA-HZPDHXFCSA-N	0	0	520.966	3.167	50	0		KGAARN
COc1ccc(Cl)cc1NC(=O)COc1ccc(C(=O)OCC(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1OC	ZINC000012648868	553409341	/nfs/dbraw/zinc/40/93/41/553409341.db2.gz	CFAXSKGKZSYWHA-IYBDPMFKSA-N	0	0	520.966	3.167	50	0		KGAARN
Cc1ccc(S(=O)(=O)CCC(=O)OCC(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)cc1	ZINC000012654335	553410397	/nfs/dbraw/zinc/41/03/97/553410397.db2.gz	ZMIBVGSWYISPDT-UHFFFAOYSA-N	0	0	514.522	3.196	50	0		KGAARN
Cc1cc(S(=O)(=O)Nc2ccc(Br)cc2)ccc1NC(=S)NCCN1CCOCC1	ZINC000012654574	553410377	/nfs/dbraw/zinc/41/03/77/553410377.db2.gz	LDZSGHNLLQUNNL-UHFFFAOYSA-N	0	0	513.483	3.177	50	0		KGAARN
O=C(CCSc1ccccc1Cl)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1	ZINC000012655840	553410670	/nfs/dbraw/zinc/41/06/70/553410670.db2.gz	AUNYYNPHUULXHL-UHFFFAOYSA-N	0	0	526.080	3.318	50	0		KGAARN
O=C(Cc1ccc(S(=O)(=O)N2CCCC2)s1)Nc1cccc(S(=O)(=O)N2CCCCCC2)c1	ZINC000012657651	553410734	/nfs/dbraw/zinc/41/07/34/553410734.db2.gz	WKIRTFLRZGIEOW-UHFFFAOYSA-N	0	0	511.691	3.279	50	0		KGAARN
O=C(COC(=O)C1=NN(c2ccccc2)C(=O)CC1)Nc1cc(C(F)(F)F)ccc1N1CCOCC1	ZINC000012658403	553411166	/nfs/dbraw/zinc/41/11/66/553411166.db2.gz	VEXLXIBPYDTCMW-UHFFFAOYSA-N	0	0	504.465	3.207	50	0		KGAARN
Cc1cc(C)c(C)c(S(=O)(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCCC2)c1C	ZINC000012658571	553411203	/nfs/dbraw/zinc/41/12/03/553411203.db2.gz	ILBKYALNBNYQCZ-UHFFFAOYSA-N	0	0	507.678	3.342	50	0		KGAARN
Cc1nc2ccccc2n1CC(=O)OCC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl	ZINC000012659132	553411402	/nfs/dbraw/zinc/41/14/02/553411402.db2.gz	NFTUDCFYNITUQW-UHFFFAOYSA-N	0	0	504.996	3.355	50	0		KGAARN
CN(C)S(=O)(=O)c1cccc(NC(=O)c2cc3c(cc2Cl)N2CCCCCC2=NS3(=O)=O)c1	ZINC000012659135	553411352	/nfs/dbraw/zinc/41/13/52/553411352.db2.gz	BJCACCQONYDYDB-UHFFFAOYSA-N	0	0	511.025	3.324	50	0		KGAARN
CN(C)c1ccc(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2-n2cnc3ccccc32)cc1	ZINC000012659191	553411354	/nfs/dbraw/zinc/41/13/54/553411354.db2.gz	WDVIALJEKBEDSB-UHFFFAOYSA-N	0	0	505.600	3.365	50	0		KGAARN
COC(=O)[C@@H]1C[C@H](O)CN1C(=O)CCC(=O)O[C@@H]1CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C	ZINC000012659463	553411369	/nfs/dbraw/zinc/41/13/69/553411369.db2.gz	IZJKGRBRKWWWLE-AHSOYAGWSA-N	0	0	515.647	3.345	50	0	biogenic	KGAARN
O=C(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)[C@H](OC(=O)c1cccnc1Cl)c1ccccc1	ZINC000012659906	553411528	/nfs/dbraw/zinc/41/15/28/553411528.db2.gz	NEQUCJICLSTUOI-OAQYLSRUSA-N	0	0	515.975	3.293	50	0		KGAARN
O=C(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)[C@@H](OC(=O)c1cccnc1Cl)c1ccccc1	ZINC000012659908	553411499	/nfs/dbraw/zinc/41/14/99/553411499.db2.gz	NEQUCJICLSTUOI-NRFANRHFSA-N	0	0	515.975	3.293	50	0		KGAARN
O=C(COC(=O)c1cccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)c1)Nc1ccc(F)c(F)c1	ZINC000012659915	553411728	/nfs/dbraw/zinc/41/17/28/553411728.db2.gz	CABIBYQPDGCISA-UHFFFAOYSA-N	0	0	515.538	3.271	50	0		KGAARN
Cn1c(N)c(C(=O)CSc2nnc(Cc3cccc4ccccc43)n2C2CCCCC2)c(=O)n(C)c1=O	ZINC000012660348	553411726	/nfs/dbraw/zinc/41/17/26/553411726.db2.gz	YFJJTVRUBGKCMY-UHFFFAOYSA-N	0	0	518.643	3.482	50	0		KGAARN
O=C(CNc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC(F)(F)F)N[C@@H]1CCCc2ccccc21	ZINC000012660458	553411749	/nfs/dbraw/zinc/41/17/49/553411749.db2.gz	YULNGCLZYKGTGF-HXUWFJFHSA-N	0	0	527.565	3.254	50	0		KGAARN
O=C(CNc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC(F)(F)F)N[C@H]1CCCc2ccccc21	ZINC000012660459	553411744	/nfs/dbraw/zinc/41/17/44/553411744.db2.gz	YULNGCLZYKGTGF-FQEVSTJZSA-N	0	0	527.565	3.254	50	0		KGAARN
CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)O[C@H]1[C@@H]([C@@H]2COC(C)(C)O2)O[C@H]2OC(C)(C)O[C@H]21	ZINC000012660612	553411919	/nfs/dbraw/zinc/41/19/19/553411919.db2.gz	YNIFGNHTUBRHLX-SABDPVTBSA-N	0	0	507.580	3.267	50	0	biogenic	KGAARN
CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)O[C@H]1[C@@H]([C@@H]2COC(C)(C)O2)O[C@H]2OC(C)(C)O[C@@H]21	ZINC000012660615	553411853	/nfs/dbraw/zinc/41/18/53/553411853.db2.gz	YNIFGNHTUBRHLX-FNVQEOSCSA-N	0	0	507.580	3.267	50	0	biogenic	KGAARN
CCOc1ccccc1-n1c(SCC(=O)Nc2cccc(S(N)(=O)=O)c2)nc2ccccc2c1=O	ZINC000012660683	553411902	/nfs/dbraw/zinc/41/19/02/553411902.db2.gz	OABATMOCOLFSAQ-UHFFFAOYSA-N	0	0	510.597	3.163	50	0		KGAARN
Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCC[C@H]3C(=O)NCCc3c[nH]c4ccccc34)CC2)cc1	ZINC000012662128	553412416	/nfs/dbraw/zinc/41/24/16/553412416.db2.gz	QYDXVBGVULNLOC-SANMLTNESA-N	0	0	522.671	3.227	50	0	biogenic	KGAARN
CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C(=O)N[C@@H](C)C(=O)Nc2ccc(F)cc2)CC1	ZINC000012662437	553412601	/nfs/dbraw/zinc/41/26/01/553412601.db2.gz	PSNULGYZTFJKLW-JXFKEZNVSA-N	0	0	524.659	3.154	50	0	biogenic	KGAARN
Cc1ccc(CNC(=O)[C@@H](NC(=O)C2CCN(C(=O)[C@@H]3CCCN3C(=O)OC(C)(C)C)CC2)C(C)C)cc1	ZINC000012662918	553412594	/nfs/dbraw/zinc/41/25/94/553412594.db2.gz	QGBIKFGUVOZZIK-ZEQRLZLVSA-N	0	0	528.694	3.390	50	0	biogenic	KGAARN
Cc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)cc1S(=O)(=O)N(C)C	ZINC000012681832	553412742	/nfs/dbraw/zinc/41/27/42/553412742.db2.gz	XZHYUVPEXHVWBZ-UHFFFAOYSA-N	0	0	500.042	3.326	50	0		KGAARN
CCCCCN(Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1)Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1	ZINC000012689183	553413025	/nfs/dbraw/zinc/41/30/25/553413025.db2.gz	GXSFYOLHGCDGKX-UHFFFAOYSA-N	0	0	523.590	3.386	50	0		KGAARN
O=C(CN1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1)N1c2ccccc2NC(=O)C12CCCC2	ZINC000012695054	553413114	/nfs/dbraw/zinc/41/31/14/553413114.db2.gz	NCLIVAZZQWCKMK-UHFFFAOYSA-N	0	0	521.014	3.084	50	0		KGAARN
O=C(c1ccc(-n2cnc3ccccc32)cc1)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1	ZINC000012695153	553413151	/nfs/dbraw/zinc/41/31/51/553413151.db2.gz	SONBMQWDVCLKFV-UHFFFAOYSA-N	0	0	518.595	3.334	50	0		KGAARN
Cc1ccccc1Nc1nc(N)nc(CN2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)n1	ZINC000012696341	553413332	/nfs/dbraw/zinc/41/33/32/553413332.db2.gz	VVNFOBRTXIXPPJ-UHFFFAOYSA-N	0	0	508.435	3.319	50	0		KGAARN
Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(-n4cnc5ccccc5c4=O)cc3)CC2)c(C)c1	ZINC000012700644	553413355	/nfs/dbraw/zinc/41/33/55/553413355.db2.gz	VPSMFHKXEFIOEI-UHFFFAOYSA-N	0	0	502.596	3.149	50	0		KGAARN
Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)c3ccc(-n4cnc5ccccc5c4=O)cc3)CC2)c1	ZINC000012700681	553413590	/nfs/dbraw/zinc/41/35/90/553413590.db2.gz	GWARISJJBBUAMD-UHFFFAOYSA-N	0	0	502.596	3.149	50	0		KGAARN
O=C(CN1CCc2sccc2[C@@H]1c1cccs1)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1	ZINC000012700832	553413577	/nfs/dbraw/zinc/41/35/77/553413577.db2.gz	GDYCWJWLWZOCMF-XMMPIXPASA-N	0	0	517.698	3.094	50	0		KGAARN
O=C(CN1CCc2sccc2[C@H]1c1cccs1)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1	ZINC000012700834	553413612	/nfs/dbraw/zinc/41/36/12/553413612.db2.gz	GDYCWJWLWZOCMF-DEOSSOPVSA-N	0	0	517.698	3.094	50	0		KGAARN
COc1ccc(CN2CCN(c3cccc4c3C(=O)N(CCn3nc(C)cc3C)C4=O)CC2)c(OC)c1C	ZINC000012726550	553420424	/nfs/dbraw/zinc/42/04/24/553420424.db2.gz	KQWNAMGXRLFNMF-UHFFFAOYSA-N	0	0	517.630	3.444	50	0		KGAARN
COc1ccc(NC(=O)CCc2c(C)nc3nc(CNC(=O)c4cccc(F)c4)nn3c2C)cc1OC	ZINC000012727182	553420322	/nfs/dbraw/zinc/42/03/22/553420322.db2.gz	HIFIVURXPRKCSY-UHFFFAOYSA-N	0	0	506.538	3.399	50	0		KGAARN
CCOC(=O)C1=C(CSc2nnc(COc3ccc(OC)cc3)n2C)NC(=O)N[C@@H]1c1ccc(C)o1	ZINC000012740727	553420545	/nfs/dbraw/zinc/42/05/45/553420545.db2.gz	NKUDDGXXFFRSTM-OAQYLSRUSA-N	0	0	513.576	3.268	50	0		KGAARN
CCOC(=O)C1=C(CSc2nnc(COc3ccc(OC)cc3)n2C)NC(=O)N[C@H]1c1ccc(C)o1	ZINC000012740729	553420530	/nfs/dbraw/zinc/42/05/30/553420530.db2.gz	NKUDDGXXFFRSTM-NRFANRHFSA-N	0	0	513.576	3.268	50	0		KGAARN
CCOC(=O)C1=C(CSc2nnc(COc3ccc(Cl)cc3)n2N)NC(=O)N[C@@H]1c1ccc(C)o1	ZINC000012741566	553420575	/nfs/dbraw/zinc/42/05/75/553420575.db2.gz	KYERJDXNYKEATM-LJQANCHMSA-N	0	0	518.983	3.089	50	0		KGAARN
CCOC(=O)C1=C(CSc2nnc(COc3ccc(Cl)cc3)n2N)NC(=O)N[C@H]1c1ccc(C)o1	ZINC000012741568	553420517	/nfs/dbraw/zinc/42/05/17/553420517.db2.gz	KYERJDXNYKEATM-IBGZPJMESA-N	0	0	518.983	3.089	50	0		KGAARN
CC(C)(C)C(=O)Nc1ccc(C(=O)COC(=O)CNS(=O)(=O)c2cccc(Br)c2)cc1	ZINC000012799854	553421003	/nfs/dbraw/zinc/42/10/03/553421003.db2.gz	XMAOLLOAQGTCFH-UHFFFAOYSA-N	0	0	511.394	3.138	50	0		KGAARN
CCn1c(SCC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)nnc1-c1ccccc1	ZINC000012809877	553421011	/nfs/dbraw/zinc/42/10/11/553421011.db2.gz	OLCWZJAIEFQOPT-UHFFFAOYSA-N	0	0	506.053	3.244	50	0		KGAARN
CCCCN(C(=O)CSc1nnc(-c2ccc(Cl)cc2)o1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O	ZINC000012823701	553421133	/nfs/dbraw/zinc/42/11/33/553421133.db2.gz	DCGIPAXNRVNMGS-UHFFFAOYSA-N	0	0	507.016	3.404	50	0		KGAARN
CCOc1ccc(CCNC(=O)COC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)cc1OCC	ZINC000012825379	553421206	/nfs/dbraw/zinc/42/12/06/553421206.db2.gz	QKFKIXJTHXFHHY-UHFFFAOYSA-N	0	0	518.632	3.174	50	0		KGAARN
O=C(COC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1)c1ccc(Cl)cc1	ZINC000012825704	553421210	/nfs/dbraw/zinc/42/12/10/553421210.db2.gz	KTUNSPOMYSGDRN-UHFFFAOYSA-N	0	0	507.008	3.391	50	0		KGAARN
CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)N(CCc3ccccc3)Cc3ccccc3)c2)CC1	ZINC000012848902	553421918	/nfs/dbraw/zinc/42/19/18/553421918.db2.gz	UYRMRQXVIYLNOS-UHFFFAOYSA-N	0	0	505.640	3.425	50	0		KGAARN
CCCCn1c(N)c(N(CC(C)C)C(=O)c2cccc(N3C(=O)c4ccccc4C3=O)c2)c(=O)[nH]c1=O	ZINC000012849520	553421956	/nfs/dbraw/zinc/42/19/56/553421956.db2.gz	QARCXAJDXDVMGI-UHFFFAOYSA-N	0	0	503.559	3.022	50	0		KGAARN
CCN1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)N(C)CCOc3ccc(Cl)cc3)c2)CC1	ZINC000012851504	553422040	/nfs/dbraw/zinc/42/20/40/553422040.db2.gz	UINMGICZUPYDIS-UHFFFAOYSA-N	0	0	500.448	3.471	50	0		KGAARN
CCCCn1c(N)c(N(CC(C)C)C(=O)CSc2nnc(-c3ccc(Cl)cc3)o2)c(=O)[nH]c1=O	ZINC000012852354	553422063	/nfs/dbraw/zinc/42/20/63/553422063.db2.gz	LPDVXNKDFZDXRV-UHFFFAOYSA-N	0	0	507.016	3.404	50	0		KGAARN
O=C(c1ccc(N2CCCCC2=O)cc1)N1CCN(S(=O)(=O)c2cccc(Br)c2)CC1	ZINC000012853398	553422045	/nfs/dbraw/zinc/42/20/45/553422045.db2.gz	DSAFLTMZPTURGV-UHFFFAOYSA-N	0	0	506.422	3.113	50	0		KGAARN
O=C(c1cccc(S(=O)(=O)N2CCOCC2)c1)N(Cc1nnc(-c2ccccc2Cl)o1)C1CC1	ZINC000012853759	553422083	/nfs/dbraw/zinc/42/20/83/553422083.db2.gz	RQFIMPVJPIHEBO-UHFFFAOYSA-N	0	0	502.980	3.216	50	0		KGAARN
CS(=O)(=O)N1CCN(c2ccccc2NC(=S)NC(=O)C(c2ccccc2)c2ccccc2)CC1	ZINC000012855053	553422103	/nfs/dbraw/zinc/42/21/03/553422103.db2.gz	YBWYHLQVXCEHLF-UHFFFAOYSA-N	0	0	508.669	3.413	50	0		KGAARN
Cc1ccc(CNC(=O)[C@H](C)NC(=O)C2CCN(C(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)CC2)cc1	ZINC000012860494	553422769	/nfs/dbraw/zinc/42/27/69/553422769.db2.gz	KIBOHUOIMRICOL-REWPJTCUSA-N	0	0	516.683	3.294	50	0	biogenic	KGAARN
CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C(=O)N[C@@H](C)C(=O)NCc2ccc(C)cc2)CC1	ZINC000012862050	553422935	/nfs/dbraw/zinc/42/29/35/553422935.db2.gz	LHGGZNRIQJLDSO-UGKGYDQZSA-N	0	0	534.723	3.001	50	0	biogenic	KGAARN
COc1ccc(C)cc1NC(=O)[C@H](C)NC(=O)C1CCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)CC1	ZINC000012866604	553423622	/nfs/dbraw/zinc/42/36/22/553423622.db2.gz	AQDXQSNIMYPFAK-AVRDEDQJSA-N	0	0	518.655	3.235	50	0	biogenic	KGAARN
CCCCCN(C(=O)CCC(=O)OCCOc1cccc(Cl)c1)c1c(N)n(CCCC)c(=O)[nH]c1=O	ZINC000012866756	553423646	/nfs/dbraw/zinc/42/36/46/553423646.db2.gz	ZCYXTMKVEGMLJB-UHFFFAOYSA-N	0	0	523.030	3.498	50	0		KGAARN
COc1ccccc1NC(=O)[C@H](C)NC(=O)C1CCN(C(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)CC1	ZINC000012866816	553423656	/nfs/dbraw/zinc/42/36/56/553423656.db2.gz	MPLKPTVWFMZJAW-RXVVDRJESA-N	0	0	518.655	3.316	50	0	biogenic	KGAARN
CCCCCN(C(=O)CCC(=O)O[C@@H](C)C(=O)c1ccc(C)cc1)c1c(N)n(CCCC)c(=O)[nH]c1=O	ZINC000012868054	553423845	/nfs/dbraw/zinc/42/38/45/553423845.db2.gz	YYWZEKSSSPHSJW-IBGZPJMESA-N	0	0	514.623	3.345	50	0		KGAARN
CCCCCN(C(=O)CCC(=O)O[C@H](C)C(=O)c1ccc(C)cc1)c1c(N)n(CCCC)c(=O)[nH]c1=O	ZINC000012868059	553423869	/nfs/dbraw/zinc/42/38/69/553423869.db2.gz	YYWZEKSSSPHSJW-LJQANCHMSA-N	0	0	514.623	3.345	50	0		KGAARN
CCCCCN(C(=O)CCC(=O)O[C@@H](C)C(=O)c1ccccc1)c1c(N)n(CCCC)c(=O)[nH]c1=O	ZINC000012869073	553423873	/nfs/dbraw/zinc/42/38/73/553423873.db2.gz	NJURXKCQENRNNF-SFHVURJKSA-N	0	0	500.596	3.037	50	0		KGAARN
CCCCCN(C(=O)CCC(=O)O[C@H](C)C(=O)c1ccccc1)c1c(N)n(CCCC)c(=O)[nH]c1=O	ZINC000012869081	553423880	/nfs/dbraw/zinc/42/38/80/553423880.db2.gz	NJURXKCQENRNNF-GOSISDBHSA-N	0	0	500.596	3.037	50	0		KGAARN
CCCCCN(C(=O)CCC(=O)OCCOc1ccc(OCC)cc1)c1c(N)n(CCCC)c(=O)[nH]c1=O	ZINC000012869928	553423826	/nfs/dbraw/zinc/42/38/26/553423826.db2.gz	QNMVZZZTTYWTQY-UHFFFAOYSA-N	0	0	532.638	3.243	50	0		KGAARN
Cc1noc(C)c1CSCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC(F)(F)F	ZINC000012872722	553424208	/nfs/dbraw/zinc/42/42/08/553424208.db2.gz	WZMZZOIGDQCVHP-UHFFFAOYSA-N	0	0	523.555	3.125	50	0		KGAARN
COC(=O)[C@@H]1Cc2c3ccccc3[nH]c2CN1C(=O)CSc1nnc([C@H](C)NC(=O)OC(C)(C)C)o1	ZINC000012873091	553424406	/nfs/dbraw/zinc/42/44/06/553424406.db2.gz	UABGSVNDWOGHBM-UGSOOPFHSA-N	0	0	515.592	3.355	50	0	biogenic	KGAARN
Cc1ccc(NC(=O)CN(C)C(=O)c2ccc(NC(=O)Cc3sc(N4CCCC4)nc3O)cc2)cc1	ZINC000012875251	553424582	/nfs/dbraw/zinc/42/45/82/553424582.db2.gz	FFHNSVBMDCTNMS-NRFANRHFSA-N	0	0	507.616	3.128	50	0		KGAARN
Cc1ccc(NC(=O)CN(C)C(=O)c2ccc(NC(=O)Cc3sc(N4CCCC4)nc3O)cc2)cc1	ZINC000012875259	553424525	/nfs/dbraw/zinc/42/45/25/553424525.db2.gz	FFHNSVBMDCTNMS-OAQYLSRUSA-N	0	0	507.616	3.128	50	0		KGAARN
CC(C)[C@@H](NC(=O)C1CCN(C(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1)C(=O)NCc1ccc(F)cc1	ZINC000012877193	553424906	/nfs/dbraw/zinc/42/49/06/553424906.db2.gz	LGHWEYMIURUVDB-XZOQPEGZSA-N	0	0	532.657	3.221	50	0	biogenic	KGAARN
CCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CN1C(=O)N[C@@](CC)(c2ccccc2)C1=O	ZINC000012877260	553424915	/nfs/dbraw/zinc/42/49/15/553424915.db2.gz	QWCRVGDQYFCGQM-SANMLTNESA-N	0	0	528.631	3.056	50	0		KGAARN
CCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CN1C(=O)N[C@](CC)(c2ccccc2)C1=O	ZINC000012877266	553424894	/nfs/dbraw/zinc/42/48/94/553424894.db2.gz	QWCRVGDQYFCGQM-AREMUKBSSA-N	0	0	528.631	3.056	50	0		KGAARN
CCOc1ccc(NC(=O)COc2ccc(C(=O)N[C@@H](C)c3ccc(S(N)(=O)=O)cc3)cc2OC)cc1	ZINC000012880293	553425250	/nfs/dbraw/zinc/42/52/50/553425250.db2.gz	WVZSUZPBJOCLBA-KRWDZBQOSA-N	0	0	527.599	3.250	50	0		KGAARN
CCOc1ccc(NC(=O)COc2ccc(C(=O)N[C@H](C)c3ccc(S(N)(=O)=O)cc3)cc2OC)cc1	ZINC000012880301	553425453	/nfs/dbraw/zinc/42/54/53/553425453.db2.gz	WVZSUZPBJOCLBA-QGZVFWFLSA-N	0	0	527.599	3.250	50	0		KGAARN
CC[C@H](C)[C@H](NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@H]2c3ccccc3C(=O)N21)C(=O)NC[C@@H]1CCCO1	ZINC000012887165	553426182	/nfs/dbraw/zinc/42/61/82/553426182.db2.gz	LZHWTBSLFVCYEU-OFVPBTNNSA-N	0	0	514.626	3.464	50	0	biogenic	KGAARN
CC[C@H](C)[C@H](NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@@H]2c3ccccc3C(=O)N21)C(=O)NC[C@@H]1CCCO1	ZINC000012887180	553426185	/nfs/dbraw/zinc/42/61/85/553426185.db2.gz	LZHWTBSLFVCYEU-FVEFYNANSA-N	0	0	514.626	3.464	50	0	biogenic	KGAARN
CC(C)C[C@H](NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@H]2c3ccccc3C(=O)N21)C(=O)NC[C@@H]1CCCO1	ZINC000012887441	553426238	/nfs/dbraw/zinc/42/62/38/553426238.db2.gz	KRFNIBVBZRNIBR-IPOMGBOCSA-N	0	0	514.626	3.464	50	0	biogenic	KGAARN
CC(C)C[C@H](NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@@H]2c3ccccc3C(=O)N21)C(=O)NC[C@@H]1CCCO1	ZINC000012887448	553426252	/nfs/dbraw/zinc/42/62/52/553426252.db2.gz	KRFNIBVBZRNIBR-HGGVDMMUSA-N	0	0	514.626	3.464	50	0	biogenic	KGAARN
CC(C)C[C@H](NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@@H]2c3ccccc3C(=O)N21)C(=O)NC[C@H]1CCCO1	ZINC000012887456	553426227	/nfs/dbraw/zinc/42/62/27/553426227.db2.gz	KRFNIBVBZRNIBR-DKSDRHEWSA-N	0	0	514.626	3.464	50	0	biogenic	KGAARN
CC[C@@H](C)[C@H](NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@H]2c3ccccc3C(=O)N21)C(=O)NCCCOC	ZINC000012887471	553426356	/nfs/dbraw/zinc/42/63/56/553426356.db2.gz	OPGBRKUVCJTXEJ-PCWBSFAKSA-N	0	0	502.615	3.321	50	0	biogenic	KGAARN
CC[C@H](C)[C@H](NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@H]2c3ccccc3C(=O)N21)C(=O)NCCCOC	ZINC000012887476	553426349	/nfs/dbraw/zinc/42/63/49/553426349.db2.gz	OPGBRKUVCJTXEJ-KJPXCWHJSA-N	0	0	502.615	3.321	50	0	biogenic	KGAARN
CC[C@H](C)[C@H](NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@@H]2c3ccccc3C(=O)N21)C(=O)NCCCOC	ZINC000012887483	553426328	/nfs/dbraw/zinc/42/63/28/553426328.db2.gz	OPGBRKUVCJTXEJ-WRSRFLKKSA-N	0	0	502.615	3.321	50	0	biogenic	KGAARN
CCCCCN(C(=O)CCC(=O)OCCOc1cccc(C)c1)c1c(N)n(CCCC)c(=O)[nH]c1=O	ZINC000012887617	553426324	/nfs/dbraw/zinc/42/63/24/553426324.db2.gz	ZKESXMZJZWHHFJ-UHFFFAOYSA-N	0	0	502.612	3.153	50	0		KGAARN
COc1ccc(CNC(=O)[C@H](C)NC(=O)[C@@H]2Cc3c4ccccc4[nH]c3[C@@H]3c4ccccc4C(=O)N32)cc1	ZINC000012887638	553426332	/nfs/dbraw/zinc/42/63/32/553426332.db2.gz	HDXGXPZKHKFKEG-CCXQXCJASA-N	0	0	508.578	3.468	50	0	biogenic	KGAARN
CC(C)[C@H](NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@@H]2c3ccccc3C(=O)N21)C(=O)NC[C@@H]1CCCO1	ZINC000012887826	553426340	/nfs/dbraw/zinc/42/63/40/553426340.db2.gz	MKYGYEGRROZEKQ-WRSRFLKKSA-N	0	0	500.599	3.074	50	0	biogenic	KGAARN
CC[C@H](C)NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3[C@@H](O)C[C@@]21C	ZINC000012888533	553426351	/nfs/dbraw/zinc/42/63/51/553426351.db2.gz	MIJFYFCMXLDURB-USAOXFDNSA-N	0	0	517.663	3.027	50	0	biogenic	KGAARN
CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)C(=O)c1cc(S(=O)(=O)N2CCCCCC2)ccc1OC	ZINC000012891689	553426580	/nfs/dbraw/zinc/42/65/80/553426580.db2.gz	IGOIBHLCOXTSIE-UHFFFAOYSA-N	0	0	530.647	3.319	50	0		KGAARN
CCOC(=O)c1c(C)c(C(=O)N(C)C)sc1NC(=O)COC(=O)CCOc1ccc(OCC)cc1	ZINC000012894121	553426598	/nfs/dbraw/zinc/42/65/98/553426598.db2.gz	HFEXFUCEHIDRNW-UHFFFAOYSA-N	0	0	506.577	3.285	50	0		KGAARN
CCCCCN(C(=O)CCC(=O)OCCOc1ccccc1Cl)c1c(N)n(CCCC)c(=O)[nH]c1=O	ZINC000012902477	553426719	/nfs/dbraw/zinc/42/67/19/553426719.db2.gz	JMRWWILFWIQBAU-UHFFFAOYSA-N	0	0	523.030	3.498	50	0		KGAARN
CC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2cc(S(=O)(=O)N3CCCCCC3)ccc2OC)C1=O	ZINC000012903185	553426908	/nfs/dbraw/zinc/42/69/08/553426908.db2.gz	FWVJPCNVFIQQCI-SANMLTNESA-N	0	0	528.631	3.056	50	0		KGAARN
CC[C@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2cc(S(=O)(=O)N3CCCCCC3)ccc2OC)C1=O	ZINC000012903192	553426814	/nfs/dbraw/zinc/42/68/14/553426814.db2.gz	FWVJPCNVFIQQCI-AREMUKBSSA-N	0	0	528.631	3.056	50	0		KGAARN
CC(C)CN(C(=O)COC(=O)CCSc1ccc(F)cc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	ZINC000012903209	553426933	/nfs/dbraw/zinc/42/69/33/553426933.db2.gz	UYLZIIINQDFTTF-UHFFFAOYSA-N	0	0	528.606	3.021	50	0		KGAARN
CC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCCCC3)c2)C1=O	ZINC000012904671	553426936	/nfs/dbraw/zinc/42/69/36/553426936.db2.gz	DSKRJEKQXUULQF-DEOSSOPVSA-N	0	0	519.023	3.310	50	0		KGAARN
CC[C@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCCCC3)c2)C1=O	ZINC000012904676	553426899	/nfs/dbraw/zinc/42/68/99/553426899.db2.gz	DSKRJEKQXUULQF-XMMPIXPASA-N	0	0	519.023	3.310	50	0		KGAARN
CCCCN(C(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1)c1c(N)n(CCCC)c(=O)[nH]c1=O	ZINC000012906646	553426896	/nfs/dbraw/zinc/42/68/96/553426896.db2.gz	PHBUPYUVNFNGRJ-GOSISDBHSA-N	0	0	504.031	3.258	50	0		KGAARN
CCCCN(C(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1)c1c(N)n(CCCC)c(=O)[nH]c1=O	ZINC000012906652	553426893	/nfs/dbraw/zinc/42/68/93/553426893.db2.gz	PHBUPYUVNFNGRJ-SFHVURJKSA-N	0	0	504.031	3.258	50	0		KGAARN
COc1ccc(CN(C)C(=O)c2ccc(NC(=O)Cc3sc(N4CCCC4)nc3O)cc2)c(OC)c1	ZINC000012908407	553427066	/nfs/dbraw/zinc/42/70/66/553427066.db2.gz	FXBJRYJGAPXBOM-QFIPXVFZSA-N	0	0	510.616	3.398	50	0		KGAARN
COc1ccc(CN(C)C(=O)c2ccc(NC(=O)Cc3sc(N4CCCC4)nc3O)cc2)c(OC)c1	ZINC000012908413	553427052	/nfs/dbraw/zinc/42/70/52/553427052.db2.gz	FXBJRYJGAPXBOM-JOCHJYFZSA-N	0	0	510.616	3.398	50	0		KGAARN
CCCCn1c(N)c(N(CC(C)C)C(=O)C[C@@H](NC(=O)c2ccccc2)c2ccccc2)c(=O)[nH]c1=O	ZINC000012913392	553427105	/nfs/dbraw/zinc/42/71/05/553427105.db2.gz	DUHQUQHGALQMLX-JOCHJYFZSA-N	0	0	505.619	3.469	50	0		KGAARN
CCCCn1c(N)c(N(CC(C)C)C(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)c(=O)[nH]c1=O	ZINC000012913399	553427086	/nfs/dbraw/zinc/42/70/86/553427086.db2.gz	DUHQUQHGALQMLX-QFIPXVFZSA-N	0	0	505.619	3.469	50	0		KGAARN
Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)Nc3ccc(Cl)c(S(=O)(=O)N4CCCCC4)c3)C2=O)cc1	ZINC000012914584	553427101	/nfs/dbraw/zinc/42/71/01/553427101.db2.gz	KLJXFCPPBSTYPD-XMMPIXPASA-N	0	0	519.023	3.229	50	0		KGAARN
Cc1ccc([C@]2(C)NC(=O)N(CC(=O)Nc3ccc(Cl)c(S(=O)(=O)N4CCCCC4)c3)C2=O)cc1	ZINC000012914589	553427085	/nfs/dbraw/zinc/42/70/85/553427085.db2.gz	KLJXFCPPBSTYPD-DEOSSOPVSA-N	0	0	519.023	3.229	50	0		KGAARN
O=C(c1ccc(-n2cnc3ccccc3c2=O)cc1)N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1	ZINC000012917121	553427308	/nfs/dbraw/zinc/42/73/08/553427308.db2.gz	OQRMRANRUFJLAU-UHFFFAOYSA-N	0	0	508.987	3.186	50	0		KGAARN
COc1ccc(NC(=O)CCNC(=O)c2ccc(Br)cc2)cc1S(=O)(=O)N1CCCCC1	ZINC000012919014	553427279	/nfs/dbraw/zinc/42/72/79/553427279.db2.gz	XFVYIRVFXAVOKZ-UHFFFAOYSA-N	0	0	524.437	3.391	50	0		KGAARN
Cc1ccc(S(=O)(=O)NCCC(=O)N2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)cc1C	ZINC000012923854	553427443	/nfs/dbraw/zinc/42/74/43/553427443.db2.gz	ZAEJHFNRXXHASQ-UHFFFAOYSA-N	0	0	504.962	3.388	50	0		KGAARN
COc1ccc(CCNC(=O)c2cccc(NC(=O)Cc3sc(N4CCCCC4)nc3O)c2)cc1OC	ZINC000012924690	553427469	/nfs/dbraw/zinc/42/74/69/553427469.db2.gz	KVYAUDZFBFRSIV-QHCPKHFHSA-N	0	0	524.643	3.489	50	0		KGAARN
COc1ccc(CCNC(=O)c2cccc(NC(=O)Cc3sc(N4CCCCC4)nc3O)c2)cc1OC	ZINC000012924694	553427484	/nfs/dbraw/zinc/42/74/84/553427484.db2.gz	KVYAUDZFBFRSIV-HSZRJFAPSA-N	0	0	524.643	3.489	50	0		KGAARN
CCOC(=O)C1=C(CSc2nnc(-c3cccc(Cl)c3)n2N)NC(=O)N[C@@H]1c1ccc(OC)cc1	ZINC000012925728	553427464	/nfs/dbraw/zinc/42/74/64/553427464.db2.gz	NZGDQQOBBCUTHY-LJQANCHMSA-N	0	0	514.995	3.284	50	0		KGAARN
CCOC(=O)C1=C(CSc2nnc(-c3cccc(Cl)c3)n2N)NC(=O)N[C@H]1c1ccc(OC)cc1	ZINC000012925732	553427552	/nfs/dbraw/zinc/42/75/52/553427552.db2.gz	NZGDQQOBBCUTHY-IBGZPJMESA-N	0	0	514.995	3.284	50	0		KGAARN
CC(C)c1ccc(S(=O)(=O)N2CCC(C(=O)NC[C@H](c3cccs3)N3CCOCC3)CC2)cc1	ZINC000012926086	553427495	/nfs/dbraw/zinc/42/74/95/553427495.db2.gz	SLWQFHTVHRGNOB-HSZRJFAPSA-N	0	0	505.706	3.462	50	0		KGAARN
CC(C)c1ccc(S(=O)(=O)N2CCC(C(=O)NC[C@@H](c3cccs3)N3CCOCC3)CC2)cc1	ZINC000012926091	553427567	/nfs/dbraw/zinc/42/75/67/553427567.db2.gz	SLWQFHTVHRGNOB-QHCPKHFHSA-N	0	0	505.706	3.462	50	0		KGAARN
CCCCCN(C(=O)CCC(=O)OCc1cc(C(C)=O)ccc1OC)c1c(N)n(CCCC)c(=O)[nH]c1=O	ZINC000012927157	553427515	/nfs/dbraw/zinc/42/75/15/553427515.db2.gz	KPBNUXPUDDTIHT-UHFFFAOYSA-N	0	0	530.622	3.177	50	0		KGAARN
CCCCN(C(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1)c1c(N)n(CCCC)c(=O)[nH]c1=O	ZINC000012927176	553427505	/nfs/dbraw/zinc/42/75/05/553427505.db2.gz	VQNUZZVQQFVQBY-UHFFFAOYSA-N	0	0	503.559	3.166	50	0		KGAARN
CC(C)CN(C(=O)COC(=O)CCCc1c[nH]c2ccccc12)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	ZINC000012927653	553427448	/nfs/dbraw/zinc/42/74/48/553427448.db2.gz	INOHUCSZPLWIDP-UHFFFAOYSA-N	0	0	531.613	3.204	50	0		KGAARN
CCCCCN(C(=O)CCC(=O)O[C@@H](C)C(=O)Nc1ccccc1C)c1c(N)n(CCCC)c(=O)[nH]c1=O	ZINC000012927782	553427723	/nfs/dbraw/zinc/42/77/23/553427723.db2.gz	SHPYPRQAASPUOU-IBGZPJMESA-N	0	0	529.638	3.101	50	0		KGAARN
CCCCCN(C(=O)CCC(=O)O[C@H](C)C(=O)Nc1ccccc1C)c1c(N)n(CCCC)c(=O)[nH]c1=O	ZINC000012927787	553427712	/nfs/dbraw/zinc/42/77/12/553427712.db2.gz	SHPYPRQAASPUOU-LJQANCHMSA-N	0	0	529.638	3.101	50	0		KGAARN
CSCC[C@@H](NC(=O)c1ccccc1Cl)C(=O)Nc1ccc(C)c(S(=O)(=O)N2CCOCC2)c1	ZINC000012932765	553427749	/nfs/dbraw/zinc/42/77/49/553427749.db2.gz	QHOAQLQCDNVDGY-HXUWFJFHSA-N	0	0	526.080	3.160	50	0		KGAARN
CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)Nc1ccc(C)c(S(=O)(=O)N2CCOCC2)c1	ZINC000012932773	553427739	/nfs/dbraw/zinc/42/77/39/553427739.db2.gz	QHOAQLQCDNVDGY-FQEVSTJZSA-N	0	0	526.080	3.160	50	0		KGAARN
O=C(/C=C/c1ccccc1Cl)OCC(=O)NCCNC(=O)COC(=O)/C=C/c1ccccc1Cl	ZINC000012933862	553427679	/nfs/dbraw/zinc/42/76/79/553427679.db2.gz	NHNVCTAUBWFLPZ-WGDLNXRISA-N	0	0	505.354	3.039	50	0		KGAARN
CCCCn1c(N)c(N(CC(C)C)C(=O)C2CCN(c3ncnc4sc(C)c(C)c43)CC2)c(=O)[nH]c1=O	ZINC000012934749	553427980	/nfs/dbraw/zinc/42/79/80/553427980.db2.gz	XVOMXDNLUUQCSC-UHFFFAOYSA-N	0	0	527.695	3.446	50	0		KGAARN
CC(C)c1ccc(S(=O)(=O)N2CCN(C(=O)C3CCN(C(=O)c4ccc(F)cc4)CC3)CC2)cc1	ZINC000012935094	553427914	/nfs/dbraw/zinc/42/79/14/553427914.db2.gz	DMMIROFPPDSWRQ-UHFFFAOYSA-N	0	0	501.624	3.334	50	0		KGAARN
CCC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)N1CCN(S(=O)(=O)c3cc(C)ccc3C)CC1)C2=O	ZINC000012935968	553427906	/nfs/dbraw/zinc/42/79/06/553427906.db2.gz	OILIPICCESAAHW-UHFFFAOYSA-N	0	0	532.707	3.053	50	0		KGAARN
COc1cc2c(cc1OC)CN(C(=O)c1cc(S(=O)(=O)N3CCOCC3)c(Cl)cc1Cl)CC2	ZINC000012949222	553428187	/nfs/dbraw/zinc/42/81/87/553428187.db2.gz	SCOBHQMAISWCTD-UHFFFAOYSA-N	0	0	515.415	3.230	50	0		KGAARN
Cc1c(NC(=O)[C@H](C)OC(=O)[C@H](NC(=O)OCc2ccccc2)C(C)C)c(=O)n(-c2ccccc2)n1C	ZINC000012949395	553428184	/nfs/dbraw/zinc/42/81/84/553428184.db2.gz	AUBIIPSJWKYQFT-SIKLNZKXSA-N	0	0	508.575	3.306	50	0		KGAARN
Cc1c(NC(=O)[C@H](C)OC(=O)[C@@H](NC(=O)OCc2ccccc2)C(C)C)c(=O)n(-c2ccccc2)n1C	ZINC000012949397	553428161	/nfs/dbraw/zinc/42/81/61/553428161.db2.gz	AUBIIPSJWKYQFT-UGKGYDQZSA-N	0	0	508.575	3.306	50	0		KGAARN
Cc1c(NC(=O)[C@@H](C)OC(=O)[C@H](NC(=O)OCc2ccccc2)C(C)C)c(=O)n(-c2ccccc2)n1C	ZINC000012949401	553428198	/nfs/dbraw/zinc/42/81/98/553428198.db2.gz	AUBIIPSJWKYQFT-DENIHFKCSA-N	0	0	508.575	3.306	50	0		KGAARN
Cc1c(NC(=O)[C@@H](C)OC(=O)[C@@H](NC(=O)OCc2ccccc2)C(C)C)c(=O)n(-c2ccccc2)n1C	ZINC000012949405	553428124	/nfs/dbraw/zinc/42/81/24/553428124.db2.gz	AUBIIPSJWKYQFT-KNQAVFIVSA-N	0	0	508.575	3.306	50	0		KGAARN
CN1O[C@H]2C(=O)N(CCNc3ncc(C(F)(F)F)cc3Cl)C(=O)[C@@H]2[C@@H]1c1coc2ccccc2c1=O	ZINC000012949864	553428142	/nfs/dbraw/zinc/42/81/42/553428142.db2.gz	BEXYXJIGSNKGHN-ZIFCJYIRSA-N	0	0	522.867	3.244	50	0		KGAARN
C[C@@]12CC(=O)N[C@@H]1N(S(=O)(=O)c1ccccc1)[C@@H](c1ccccc1OS(=O)(=O)c1ccccc1)C2	ZINC000012953207	553429011	/nfs/dbraw/zinc/42/90/11/553429011.db2.gz	FHXOUBYDJVUAFZ-NQHRYMMQSA-N	0	0	512.609	3.442	50	0		KGAARN
C[C@@]12CC(=O)N[C@@H]1N(S(=O)(=O)c1ccccc1)[C@H](c1ccccc1OS(=O)(=O)c1ccccc1)C2	ZINC000012953217	553428981	/nfs/dbraw/zinc/42/89/81/553428981.db2.gz	FHXOUBYDJVUAFZ-FTBPSBKWSA-N	0	0	512.609	3.442	50	0		KGAARN
CN1CCN(S(=O)(=O)c2cccc(C(=O)N(Cc3nnc(-c4ccccc4Cl)o3)C3CC3)c2)CC1	ZINC000012976756	553431214	/nfs/dbraw/zinc/43/12/14/553431214.db2.gz	OBLGFBJTUWDGNO-UHFFFAOYSA-N	0	0	516.023	3.131	50	0		KGAARN
CCN(CC(=O)NCc1cccs1)C(=O)C1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1	ZINC000012977712	553431437	/nfs/dbraw/zinc/43/14/37/553431437.db2.gz	MCLNTXLRWBAAMK-UHFFFAOYSA-N	0	0	517.595	3.333	50	0		KGAARN
CCOC(=O)Cc1csc(SCC(=O)N2CCc3cc(S(=O)(=O)N4CCCCC4)ccc32)n1	ZINC000012982997	553431473	/nfs/dbraw/zinc/43/14/73/553431473.db2.gz	QHVBWRSVUOBRFR-UHFFFAOYSA-N	0	0	509.675	3.105	50	0		KGAARN
CCOC(=O)c1cc(Cl)c(OCC(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)c(Cl)c1	ZINC000012983040	553431408	/nfs/dbraw/zinc/43/14/08/553431408.db2.gz	OYIJSGIRZRFIEF-UHFFFAOYSA-N	0	0	515.415	3.223	50	0		KGAARN
CCOc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(N4CCCCC4=O)cc3)CC2)cc1OCC	ZINC000012987123	553431682	/nfs/dbraw/zinc/43/16/82/553431682.db2.gz	GFXLFSZHGAWRAC-UHFFFAOYSA-N	0	0	515.632	3.148	50	0		KGAARN
COc1ccc(S(=O)(=O)N2CCN(CC(=O)N3CCc4cc(-c5csc(C)n5)ccc43)CC2)cc1	ZINC000012996008	553431710	/nfs/dbraw/zinc/43/17/10/553431710.db2.gz	IISPOENLRULRTR-UHFFFAOYSA-N	0	0	512.657	3.023	50	0		KGAARN
COc1ccc(C(=O)OCC(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)cc1S(=O)(=O)N1CCCC1	ZINC000012996107	553431692	/nfs/dbraw/zinc/43/16/92/553431692.db2.gz	UPSAWELXDQPLMV-SFHVURJKSA-N	0	0	500.617	3.393	50	0		KGAARN
COc1ccc(C(=O)OCC(=O)N[C@H](C)c2ccc3c(c2)CCCC3)cc1S(=O)(=O)N1CCCC1	ZINC000012996109	553431665	/nfs/dbraw/zinc/43/16/65/553431665.db2.gz	UPSAWELXDQPLMV-GOSISDBHSA-N	0	0	500.617	3.393	50	0		KGAARN
COCCCn1c(SCC(=O)Nc2oc(C)c3c2c(=O)[nH]nc3C)nc2sc3c(c2c1=O)CCC3	ZINC000012996975	553431700	/nfs/dbraw/zinc/43/17/00/553431700.db2.gz	YGYAXCHJOQZBRY-UHFFFAOYSA-N	0	0	515.617	3.160	50	0		KGAARN
CCc1ccccc1NC(=O)CNC(=O)c1cccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)c1	ZINC000012998524	553431595	/nfs/dbraw/zinc/43/15/95/553431595.db2.gz	KBPGHISGQGTOCE-UHFFFAOYSA-N	0	0	520.655	3.124	50	0		KGAARN
COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)Cc1sc(C)nc1-c1ccc(F)cc1	ZINC000012998706	553431716	/nfs/dbraw/zinc/43/17/16/553431716.db2.gz	RRZWUCWHIYVVRG-UHFFFAOYSA-N	0	0	505.593	3.468	50	0		KGAARN
CCCCn1c(N)c(N(Cc2ccccc2OC)C(=O)COc2ccc(F)cc2Cl)c(=O)[nH]c1=O	ZINC000013000564	553431804	/nfs/dbraw/zinc/43/18/04/553431804.db2.gz	HPPXFHGDYSCVLQ-UHFFFAOYSA-N	0	0	504.946	3.332	50	0		KGAARN
COC(=O)c1csc(S(=O)(=O)N2CCN(C(=O)COc3ccc(Cl)c4ccccc34)CC2)c1	ZINC000013001412	553431873	/nfs/dbraw/zinc/43/18/73/553431873.db2.gz	BLXFDJOZLQSFND-UHFFFAOYSA-N	0	0	509.005	3.253	50	0		KGAARN
COc1cccc(CN(C)C(=O)c2ccc(NC(=O)Cc3sc(N4CCCC4)nc3O)cc2)c1OC	ZINC000013002845	553431821	/nfs/dbraw/zinc/43/18/21/553431821.db2.gz	KXSBHFHSTBZGIM-NRFANRHFSA-N	0	0	510.616	3.398	50	0		KGAARN
COc1cccc(CN(C)C(=O)c2ccc(NC(=O)Cc3sc(N4CCCC4)nc3O)cc2)c1OC	ZINC000013002848	553431790	/nfs/dbraw/zinc/43/17/90/553431790.db2.gz	KXSBHFHSTBZGIM-OAQYLSRUSA-N	0	0	510.616	3.398	50	0		KGAARN
Cc1cc(C(C)(C)C)cc(C)c1S(=O)(=O)N1CCN(C(=O)c2ccc(N3C(=O)CCC3=O)cc2)CC1	ZINC000013003792	553432034	/nfs/dbraw/zinc/43/20/34/553432034.db2.gz	OVIOACLXLCXPHD-UHFFFAOYSA-N	0	0	511.644	3.401	50	0		KGAARN
Cc1cc(C)c(S(=O)(=O)N2CCN(C(=O)c3ccc(-n4cnc5ccccc5c4=O)cc3)CC2)c(C)c1	ZINC000013003800	553432022	/nfs/dbraw/zinc/43/20/22/553432022.db2.gz	IEYNDTFXHDTORF-UHFFFAOYSA-N	0	0	516.623	3.458	50	0		KGAARN
Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)COC(=O)CCOc1ccc(C(C)(C)C)cc1	ZINC000013004355	553432059	/nfs/dbraw/zinc/43/20/59/553432059.db2.gz	GIOROIRYTYEZSU-UHFFFAOYSA-N	0	0	518.632	3.264	50	0		KGAARN
CCOc1ccc(NC(=O)CN(C)C(=O)CCNC(=O)c2ccc(Br)cc2)cc1OCC	ZINC000013004507	553432047	/nfs/dbraw/zinc/43/20/47/553432047.db2.gz	WUELJLWPAWTRCG-UHFFFAOYSA-N	0	0	506.397	3.464	50	0		KGAARN
O=C(c1ccc(N2CCCCC2=O)cc1)N1CCN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)CC1	ZINC000013004890	553432017	/nfs/dbraw/zinc/43/20/17/553432017.db2.gz	ORQGCFNOCNJHGA-UHFFFAOYSA-N	0	0	511.522	3.249	50	0		KGAARN
CN(C)S(=O)(=O)c1cccc(NC(=O)COC(=O)c2ccccc2C(=O)N(C)Cc2ccccc2)c1	ZINC000013005521	553432248	/nfs/dbraw/zinc/43/22/48/553432248.db2.gz	VMSYVPOAIBIULK-UHFFFAOYSA-N	0	0	509.584	3.005	50	0		KGAARN
CC(C)CN(C(=O)COC(=O)Cc1cccc2ccccc21)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	ZINC000013005800	553432257	/nfs/dbraw/zinc/43/22/57/553432257.db2.gz	VXYSGRYGSOLISO-UHFFFAOYSA-N	0	0	514.582	3.095	50	0		KGAARN
CN1CCN(S(=O)(=O)c2cccc(C(=O)Nc3ccc(Br)cc3Br)c2)CC1	ZINC000013006106	553432279	/nfs/dbraw/zinc/43/22/79/553432279.db2.gz	STOKQMGTGMQKBZ-UHFFFAOYSA-N	0	0	517.243	3.400	50	0		KGAARN
Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(-n4cnc5ccccc5c4=O)cc3)CC2)cc1C	ZINC000013006147	553432304	/nfs/dbraw/zinc/43/23/04/553432304.db2.gz	BTHQUUCWBSXOKH-UHFFFAOYSA-N	0	0	502.596	3.149	50	0		KGAARN
O=C(COC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1)NCc1ccco1	ZINC000013007234	553432208	/nfs/dbraw/zinc/43/22/08/553432208.db2.gz	SXITWTVMLNNMIR-UHFFFAOYSA-N	0	0	508.902	3.212	50	0		KGAARN
Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)COC(=O)c1ccccc1C(=O)N(C)Cc1ccccc1	ZINC000013007440	553432220	/nfs/dbraw/zinc/43/22/20/553432220.db2.gz	MXMPDGZHLJRTBD-UHFFFAOYSA-N	0	0	523.611	3.313	50	0		KGAARN
COc1ccc([C@@H](CNC(=O)c2cc(S(=O)(=O)NCc3ccccc3)ccc2C)N2CCOCC2)cc1	ZINC000013010473	553432380	/nfs/dbraw/zinc/43/23/80/553432380.db2.gz	XMPPAXOHEQGMQN-HHHXNRCGSA-N	0	0	523.655	3.285	50	0		KGAARN
COc1ccc([C@H](CNC(=O)c2cc(S(=O)(=O)NCc3ccccc3)ccc2C)N2CCOCC2)cc1	ZINC000013010474	553432372	/nfs/dbraw/zinc/43/23/72/553432372.db2.gz	XMPPAXOHEQGMQN-MHZLTWQESA-N	0	0	523.655	3.285	50	0		KGAARN
O=C(c1ccc(-n2cnc3ccccc3c2=O)cc1)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1	ZINC000013010954	553432397	/nfs/dbraw/zinc/43/23/97/553432397.db2.gz	UEXNYJVYXUJKRQ-UHFFFAOYSA-N	0	0	514.607	3.021	50	0		KGAARN
COc1ccc(CCN2C[C@@H](C(=O)OCC(=O)Nc3c(C)nn(-c4ccccc4)c3C)CC2=O)cc1OC	ZINC000013011575	553432435	/nfs/dbraw/zinc/43/24/35/553432435.db2.gz	QOBSWGGPUZVXTD-NRFANRHFSA-N	0	0	520.586	3.079	50	0		KGAARN
COc1ccc(CCN2C[C@H](C(=O)OCC(=O)Nc3c(C)nn(-c4ccccc4)c3C)CC2=O)cc1OC	ZINC000013011576	553432442	/nfs/dbraw/zinc/43/24/42/553432442.db2.gz	QOBSWGGPUZVXTD-OAQYLSRUSA-N	0	0	520.586	3.079	50	0		KGAARN
CC(=O)NCc1ccc(S(=O)(=O)N2c3ccccc3NC(=O)[C@@H]2CC(=O)Nc2ccc(C)cc2C)cc1	ZINC000013011935	553432446	/nfs/dbraw/zinc/43/24/46/553432446.db2.gz	PDHDAEHQLSDXIO-VWLOTQADSA-N	0	0	520.611	3.484	50	0		KGAARN
CC(=O)NCc1ccc(S(=O)(=O)N2c3ccccc3NC(=O)[C@H]2CC(=O)Nc2ccc(C)cc2C)cc1	ZINC000013011936	553432433	/nfs/dbraw/zinc/43/24/33/553432433.db2.gz	PDHDAEHQLSDXIO-RUZDIDTESA-N	0	0	520.611	3.484	50	0		KGAARN
CC(=O)NCc1ccc(S(=O)(=O)N2c3ccccc3NC(=O)[C@@H]2CC(=O)Nc2ccc(C)cc2)cc1	ZINC000013011939	553432658	/nfs/dbraw/zinc/43/26/58/553432658.db2.gz	LRMQGXJMQXIJGN-DEOSSOPVSA-N	0	0	506.584	3.176	50	0		KGAARN
CC(=O)NCc1ccc(S(=O)(=O)N2c3ccccc3NC(=O)[C@H]2CC(=O)Nc2ccc(C)cc2)cc1	ZINC000013011940	553432646	/nfs/dbraw/zinc/43/26/46/553432646.db2.gz	LRMQGXJMQXIJGN-XMMPIXPASA-N	0	0	506.584	3.176	50	0		KGAARN
CC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2ccc(S(=O)(=O)N3C[C@H](C)C[C@H](C)C3)cc2)C1=O	ZINC000013012678	553432618	/nfs/dbraw/zinc/43/26/18/553432618.db2.gz	BOEQDYVNNIZLQF-ANSQWYIGSA-N	0	0	512.632	3.149	50	0		KGAARN
CC[C@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2ccc(S(=O)(=O)N3C[C@H](C)C[C@H](C)C3)cc2)C1=O	ZINC000013012679	553432591	/nfs/dbraw/zinc/43/25/91/553432591.db2.gz	BOEQDYVNNIZLQF-UYXZNNOOSA-N	0	0	512.632	3.149	50	0		KGAARN
CC[C@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2ccc(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)cc2)C1=O	ZINC000013012681	553432621	/nfs/dbraw/zinc/43/26/21/553432621.db2.gz	BOEQDYVNNIZLQF-LJKQEARRSA-N	0	0	512.632	3.149	50	0		KGAARN
CCN(CC)C(=O)c1ccc(NC(=O)c2cc(S(=O)(=O)N3CCN(CC)CC3)ccc2Cl)cc1	ZINC000013014852	553432843	/nfs/dbraw/zinc/43/28/43/553432843.db2.gz	ZILCYCGGNNYUQQ-UHFFFAOYSA-N	0	0	507.056	3.401	50	0		KGAARN
C[C@@H](C(=O)NCC1CCCCC1)N(Cc1ccc(S(N)(=O)=O)cc1)[C@@H](C)C(=O)NCC1CCCCC1	ZINC000013015881	553432852	/nfs/dbraw/zinc/43/28/52/553432852.db2.gz	VJHHUYOBJRZUTF-SFTDATJTSA-N	0	0	520.740	3.306	50	0		KGAARN
C[C@H](C(=O)NCC1CCCCC1)N(Cc1ccc(S(N)(=O)=O)cc1)[C@H](C)C(=O)NCC1CCCCC1	ZINC000013015884	553432870	/nfs/dbraw/zinc/43/28/70/553432870.db2.gz	VJHHUYOBJRZUTF-NHCUHLMSSA-N	0	0	520.740	3.306	50	0		KGAARN
C[C@H](C(=O)NCC1CCCCC1)N(Cc1ccc(S(N)(=O)=O)cc1)[C@@H](C)C(=O)NCC1CCCCC1	ZINC000013015887	553432769	/nfs/dbraw/zinc/43/27/69/553432769.db2.gz	VJHHUYOBJRZUTF-OYRHEFFESA-N	0	0	520.740	3.306	50	0		KGAARN
CNS(=O)(=O)c1cc(C=CC(=O)OCC(=O)c2ccc(NC(=O)c3ccccc3)cc2)ccc1OC	ZINC000013016914	553433036	/nfs/dbraw/zinc/43/30/36/553433036.db2.gz	VSFHOCARTAFYIW-OQLLNIDSSA-N	0	0	508.552	3.295	50	0		KGAARN
COc1ccc(NS(=O)(=O)c2cc(NC(=O)[C@@H]3COc4ccccc4O3)ccc2N2CCOCC2)cc1	ZINC000013017811	553433202	/nfs/dbraw/zinc/43/32/02/553433202.db2.gz	QCCMXLWONLPZFX-DEOSSOPVSA-N	0	0	525.583	3.111	50	0		KGAARN
COc1ccc(NS(=O)(=O)c2cc(NC(=O)[C@H]3COc4ccccc4O3)ccc2N2CCOCC2)cc1	ZINC000013017815	553433233	/nfs/dbraw/zinc/43/32/33/553433233.db2.gz	QCCMXLWONLPZFX-XMMPIXPASA-N	0	0	525.583	3.111	50	0		KGAARN
CCc1cc2c(nc(SCC(=O)Nc3oc(C)c4c3c(=O)[nH]nc4C)n(CCCOC)c2=O)s1	ZINC000013022158	553433433	/nfs/dbraw/zinc/43/34/33/553433433.db2.gz	ZGBPSBQOLLLHCS-UHFFFAOYSA-N	0	0	503.606	3.234	50	0		KGAARN
C[C@@H](C(=O)OCC(=O)c1cc2c3c(c1)CCCN3C(=O)C2)N1C(=O)c2cc(Cl)c(Cl)cc2C1=O	ZINC000013026904	553436292	/nfs/dbraw/zinc/43/62/92/553436292.db2.gz	SNCZHTRPSFXLTQ-NSHDSACASA-N	0	0	501.322	3.239	50	0		KGAARN
C[C@H](C(=O)OCC(=O)c1cc2c3c(c1)CCCN3C(=O)C2)N1C(=O)c2cc(Cl)c(Cl)cc2C1=O	ZINC000013026907	553436285	/nfs/dbraw/zinc/43/62/85/553436285.db2.gz	SNCZHTRPSFXLTQ-LLVKDONJSA-N	0	0	501.322	3.239	50	0		KGAARN
Cc1ccc(Br)c(NS(=O)(=O)c2cc(NC(=O)c3cc(=O)[nH]c(=O)[nH]3)ccc2Cl)c1	ZINC000013027853	553437482	/nfs/dbraw/zinc/43/74/82/553437482.db2.gz	MJBJKVWGVCMLAT-UHFFFAOYSA-N	0	0	513.757	3.253	50	0		KGAARN
COc1cc(OC)cc(C(=O)N=c2c(C#N)cc3c(nc4c(C)cccn4c3=O)n2CCCOC(C)C)c1	ZINC000013029375	1059005054	/nfs/dbraw/zinc/00/50/54/1059005054.db2.gz	BFJVKACIZHYNJL-UHFFFAOYSA-N	0	0	515.570	3.403	50	0		KGAARN
CCOCCCn1c2nc3c(C)cccn3c(=O)c2cc(C(=O)OCC)c1=NC(=O)c1ccc(OC)cc1	ZINC000013029625	1059005097	/nfs/dbraw/zinc/00/50/97/1059005097.db2.gz	AWZLPJFVUYSABX-UHFFFAOYSA-N	0	0	518.570	3.311	50	0		KGAARN
CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(CCCOC)c1=NC(=O)c1ccccc1OCC	ZINC000013029647	1059005075	/nfs/dbraw/zinc/00/50/75/1059005075.db2.gz	DZZMFAABFNQQSK-UHFFFAOYSA-N	0	0	518.570	3.311	50	0		KGAARN
CCOCCn1c2c(s/c1=N/C(=O)CCS(=O)(=O)c1ccc(OC)cc1)c(OC)ccc2OC	ZINC000013036561	553443135	/nfs/dbraw/zinc/44/31/35/553443135.db2.gz	OSOOUTKEZMVTDG-WCWDXBQESA-N	0	0	508.618	3.056	50	0		KGAARN
COc1ccc(NC(=O)c2nc(-c3ccccc3)n(-c3ccccc3)n2)cc1S(=O)(=O)N1CCOCC1	ZINC000013037750	553443277	/nfs/dbraw/zinc/44/32/77/553443277.db2.gz	PVTABVMLDGCERJ-UHFFFAOYSA-N	0	0	519.583	3.216	50	0		KGAARN
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CCCOC)c1=NC(=O)c1ccccc1OCC	ZINC000013062713	1059010663	/nfs/dbraw/zinc/01/06/63/1059010663.db2.gz	NVJJJBLUPWZVEJ-UHFFFAOYSA-N	0	0	504.543	3.002	50	0		KGAARN
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CCCOC)c1=NC(=O)c1ccc(OCC)cc1	ZINC000013063024	1059011077	/nfs/dbraw/zinc/01/10/77/1059011077.db2.gz	KAFKPFNQKXEUKX-UHFFFAOYSA-N	0	0	504.543	3.002	50	0		KGAARN
COc1cc(-c2nnc(SCC(=O)c3ccc(CC(=O)N4CCOCC4)s3)o2)cc(OC)c1OC	ZINC000013075851	553444812	/nfs/dbraw/zinc/44/48/12/553444812.db2.gz	HIODDPLYLZRXDE-UHFFFAOYSA-N	0	0	519.601	3.200	50	0		KGAARN
Cc1nnnn1/C(=C\c1ccccc1)C(=O)OCC(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1	ZINC000013095536	553445925	/nfs/dbraw/zinc/44/59/25/553445925.db2.gz	PBXRYULQPFWZIM-BKUYFWCQSA-N	0	0	516.480	3.017	50	0		KGAARN
C[C@H](c1ccc(S(N)(=O)=O)cc1)N(CC(=O)Nc1ccc(F)cc1)CC(=O)Nc1ccc(F)cc1	ZINC000013095614	553445980	/nfs/dbraw/zinc/44/59/80/553445980.db2.gz	FBDRDPOAFYXPOL-MRXNPFEDSA-N	0	0	502.543	3.253	50	0		KGAARN
C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(CC(=O)Nc1ccc(F)cc1)CC(=O)Nc1ccc(F)cc1	ZINC000013095615	553445969	/nfs/dbraw/zinc/44/59/69/553445969.db2.gz	FBDRDPOAFYXPOL-INIZCTEOSA-N	0	0	502.543	3.253	50	0		KGAARN
CC(C)(C)c1ccc(OCc2nnc(SCc3cccc(S(=O)(=O)N4CCOCC4)c3)n2N)cc1	ZINC000013095788	553445922	/nfs/dbraw/zinc/44/59/22/553445922.db2.gz	CWPIPYOVABDLIA-UHFFFAOYSA-N	0	0	517.677	3.182	50	0		KGAARN
CN1CCN(S(=O)(=O)c2ccc(SCC(=O)N(CCc3ccccc3)Cc3ccccc3)nc2)CC1	ZINC000013095889	553446110	/nfs/dbraw/zinc/44/61/10/553446110.db2.gz	OPPFITIWPNAJDR-UHFFFAOYSA-N	0	0	524.712	3.381	50	0		KGAARN
C[C@@H](OC(=O)c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl)C(=O)N1CCc2ccccc21	ZINC000013096029	553446299	/nfs/dbraw/zinc/44/62/99/553446299.db2.gz	JKBFMKXDZMMBGZ-CQSZACIVSA-N	0	0	513.399	3.149	50	0		KGAARN
C[C@H](OC(=O)c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl)C(=O)N1CCc2ccccc21	ZINC000013096030	553446290	/nfs/dbraw/zinc/44/62/90/553446290.db2.gz	JKBFMKXDZMMBGZ-AWEZNQCLSA-N	0	0	513.399	3.149	50	0		KGAARN
C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)Nc3cc(C(F)(F)F)ccc3-n3cncn3)cc2)C[C@@H](C)O1	ZINC000013096040	553446301	/nfs/dbraw/zinc/44/63/01/553446301.db2.gz	IOIZWMXJOUBCTI-HUUCEWRRSA-N	0	0	509.510	3.336	50	0		KGAARN
C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)Nc3cc(C(F)(F)F)ccc3-n3cncn3)cc2)C[C@H](C)O1	ZINC000013096042	553446250	/nfs/dbraw/zinc/44/62/50/553446250.db2.gz	IOIZWMXJOUBCTI-GASCZTMLSA-N	0	0	509.510	3.336	50	0		KGAARN
C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)Nc3cc(C(F)(F)F)ccc3-n3cncn3)cc2)C[C@H](C)O1	ZINC000013096043	553446282	/nfs/dbraw/zinc/44/62/82/553446282.db2.gz	IOIZWMXJOUBCTI-GJZGRUSLSA-N	0	0	509.510	3.336	50	0		KGAARN
COc1ccc(NC(=O)c2cccc(OCc3c(C)noc3C)c2)cc1S(=O)(=O)N1CCOCC1	ZINC000013096618	553446417	/nfs/dbraw/zinc/44/64/17/553446417.db2.gz	DZRFMQGYRBASHI-UHFFFAOYSA-N	0	0	501.561	3.152	50	0		KGAARN
CCn1c(SCC(=O)Nc2ccc(N3CCOCC3)cc2N2CCOCC2)nnc1-c1cccs1	ZINC000013096869	553446462	/nfs/dbraw/zinc/44/64/62/553446462.db2.gz	XMFRMHLYLOBULM-UHFFFAOYSA-N	0	0	514.677	3.431	50	0		KGAARN
Cc1cc(=O)c(C(=O)Nc2ccc(N3CCOCC3)cc2N2CCOCC2)nn1-c1ccccc1Cl	ZINC000013097289	553446638	/nfs/dbraw/zinc/44/66/38/553446638.db2.gz	PMAAFXUSOMZCKT-UHFFFAOYSA-N	0	0	509.994	3.120	50	0		KGAARN
Cc1cc(=O)c(C(=O)Nc2ccc(N3CCOCC3)cc2N2CCOCC2)nn1-c1ccc(Cl)cc1	ZINC000013097303	553446619	/nfs/dbraw/zinc/44/66/19/553446619.db2.gz	UBDOLCLAJKMVSL-UHFFFAOYSA-N	0	0	509.994	3.120	50	0		KGAARN
CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)Nc1ccccc1N1CCOCC1)n2CC	ZINC000013098882	553447518	/nfs/dbraw/zinc/44/75/18/553447518.db2.gz	YZZIIJKSVCOALX-UHFFFAOYSA-N	0	0	513.664	3.495	50	0		KGAARN
CCN(C[C@@H]1COc2ccccc2O1)C(=O)c1ccc(Cl)c(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)c1	ZINC000013101668	553447748	/nfs/dbraw/zinc/44/77/48/553447748.db2.gz	JIEYYYGZLRFRIC-ZIFCJYIRSA-N	0	0	509.024	3.440	50	0		KGAARN
CCN(C[C@H]1COc2ccccc2O1)C(=O)c1ccc(Cl)c(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)c1	ZINC000013101669	553447703	/nfs/dbraw/zinc/44/77/03/553447703.db2.gz	JIEYYYGZLRFRIC-SCTDSRPQSA-N	0	0	509.024	3.440	50	0		KGAARN
CCN(C[C@@H]1COc2ccccc2O1)C(=O)c1ccc(Cl)c(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)c1	ZINC000013101670	553447700	/nfs/dbraw/zinc/44/77/00/553447700.db2.gz	JIEYYYGZLRFRIC-JENIJYKNSA-N	0	0	509.024	3.440	50	0		KGAARN
CC[C@@H](C)[C@@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccc(C)c(S(=O)(=O)N2CCOCC2)c1	ZINC000013108857	553447859	/nfs/dbraw/zinc/44/78/59/553447859.db2.gz	CBZXGYLWHWWHKS-WZONZLPQSA-N	0	0	503.621	3.296	50	0		KGAARN
CC[C@H](C)[C@@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccc(C)c(S(=O)(=O)N2CCOCC2)c1	ZINC000013108859	553447845	/nfs/dbraw/zinc/44/78/45/553447845.db2.gz	CBZXGYLWHWWHKS-FDDCHVKYSA-N	0	0	503.621	3.296	50	0		KGAARN
CC[C@@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccc(C)c(S(=O)(=O)N2CCOCC2)c1	ZINC000013108862	553447827	/nfs/dbraw/zinc/44/78/27/553447827.db2.gz	CBZXGYLWHWWHKS-JPYJTQIMSA-N	0	0	503.621	3.296	50	0		KGAARN
CC[C@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccc(C)c(S(=O)(=O)N2CCOCC2)c1	ZINC000013108864	553448030	/nfs/dbraw/zinc/44/80/30/553448030.db2.gz	CBZXGYLWHWWHKS-MBSDFSHPSA-N	0	0	503.621	3.296	50	0		KGAARN
O=C(/C=C/c1ccc(S(=O)(=O)NCc2ccco2)cc1)OCC(=O)Nc1nnc(-c2ccccc2)o1	ZINC000013108959	553448090	/nfs/dbraw/zinc/44/80/90/553448090.db2.gz	YAJCXOIHLDPUTF-JLHYYAGUSA-N	0	0	508.512	3.003	50	0		KGAARN
CCCCCCc1nc(S[C@@H](C(=O)NC(=O)NC)c2ccccc2)c2c(=O)n(C)c(=O)n(CCC)c2n1	ZINC000013109644	553448084	/nfs/dbraw/zinc/44/80/84/553448084.db2.gz	USLCTABROLLVCK-HXUWFJFHSA-N	0	0	526.663	3.312	50	0		KGAARN
CCCCCCc1nc(S[C@H](C(=O)NC(=O)NC)c2ccccc2)c2c(=O)n(C)c(=O)n(CCC)c2n1	ZINC000013109645	553448069	/nfs/dbraw/zinc/44/80/69/553448069.db2.gz	USLCTABROLLVCK-FQEVSTJZSA-N	0	0	526.663	3.312	50	0		KGAARN
COc1ccc(NC(=O)c2ccccc2C(=O)N(C)C2CCCCC2)cc1S(=O)(=O)N1CCOCC1	ZINC000013109693	553448075	/nfs/dbraw/zinc/44/80/75/553448075.db2.gz	KLUZMNUMTBEOIW-UHFFFAOYSA-N	0	0	515.632	3.373	50	0		KGAARN
NS(=O)(=O)c1cccc(NC(=O)c2cc(S(=O)(=O)NC34CC5CC(CC(C5)C3)C4)ccc2Cl)c1	ZINC000013109739	553448046	/nfs/dbraw/zinc/44/80/46/553448046.db2.gz	XBGLCAQJWNKIGF-UHFFFAOYSA-N	0	0	524.064	3.487	50	0		KGAARN
CCCCn1c2nc(CCC(=O)NCCc3ccc(OCC)c(OCC)c3)n(CC(C)C)c2c(=O)[nH]c1=O	ZINC000013109853	553448180	/nfs/dbraw/zinc/44/81/80/553448180.db2.gz	BEMUOBTZFVJMPT-UHFFFAOYSA-N	0	0	527.666	3.431	50	0		KGAARN
CCCCNC(=O)COC(=O)c1ccccc1SCC(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O	ZINC000013110060	553448147	/nfs/dbraw/zinc/44/81/47/553448147.db2.gz	LCHSEMVOVAHELH-UHFFFAOYSA-N	0	0	510.616	3.288	50	0		KGAARN
O=C(CCC(=O)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1)NCc1ccc(Cl)cc1	ZINC000013112817	553448410	/nfs/dbraw/zinc/44/84/10/553448410.db2.gz	IJXYMHJGNRMFOA-UHFFFAOYSA-N	0	0	500.020	3.423	50	0		KGAARN
O=C(CCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)NCc1cccc(C(F)(F)F)c1	ZINC000013112965	553448430	/nfs/dbraw/zinc/44/84/30/553448430.db2.gz	VPRAGBDPOQBSBL-UHFFFAOYSA-N	0	0	517.957	3.288	50	0		KGAARN
COc1ccc(NS(=O)(=O)c2cccc(C(=O)OCC(=O)Nc3nnc(-c4ccccc4)o3)c2)cc1	ZINC000013113088	553448559	/nfs/dbraw/zinc/44/85/59/553448559.db2.gz	FKVAEIXWTKCKAQ-UHFFFAOYSA-N	0	0	508.512	3.342	50	0		KGAARN
COC(=O)c1ccc2c(c1)[n-]c(=S)n(Cc1ccc(C(=O)NCCC[NH+]3CCC(C)CC3)cc1)c2=O	ZINC000013118828	553449137	/nfs/dbraw/zinc/44/91/37/553449137.db2.gz	FLNZARIXUZFDBO-UHFFFAOYSA-N	0	0	508.644	3.372	50	0		KGAARN
Cc1ccc(NC(=O)CSc2ccccc2C(=O)OCC(=O)N(C2CC2)[C@@H]2CCS(=O)(=O)C2)cc1	ZINC000013119697	553449364	/nfs/dbraw/zinc/44/93/64/553449364.db2.gz	DQHVTYNEEWIYQB-HXUWFJFHSA-N	0	0	516.641	3.061	50	0		KGAARN
Cc1ccc(NC(=O)CSc2ccccc2C(=O)OCC(=O)N(C2CC2)[C@H]2CCS(=O)(=O)C2)cc1	ZINC000013119699	553449404	/nfs/dbraw/zinc/44/94/04/553449404.db2.gz	DQHVTYNEEWIYQB-FQEVSTJZSA-N	0	0	516.641	3.061	50	0		KGAARN
COc1ccc(C2(c3ccc(OC)cc3)NC(=O)N(CC(=O)Nc3ccc(OC)c(OC)c3)C2=O)cc1	ZINC000013126602	553449706	/nfs/dbraw/zinc/44/97/06/553449706.db2.gz	XEQIUYGSNLFTAQ-UHFFFAOYSA-N	0	0	505.527	3.155	50	0		KGAARN
O=C(OCc1nnc(-c2cccs2)o1)c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl	ZINC000013128370	553449952	/nfs/dbraw/zinc/44/99/52/553449952.db2.gz	BNRYGGZDHPBWTB-UHFFFAOYSA-N	0	0	504.373	3.483	50	0		KGAARN
O=C(COC(=O)c1cc(-c2ccc(OC(F)F)cc2)nc2ccccc21)NCCN1C(=O)CSC1=O	ZINC000013128378	553449942	/nfs/dbraw/zinc/44/99/42/553449942.db2.gz	CGXUFFGUPPTOCQ-UHFFFAOYSA-N	0	0	515.494	3.472	50	0		KGAARN
O=C(CNC(=O)COC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1)Nc1ccc(F)c(F)c1F	ZINC000013128460	553449970	/nfs/dbraw/zinc/44/99/70/553449970.db2.gz	YQSMQODQJDNECY-UHFFFAOYSA-N	0	0	518.414	3.032	50	0		KGAARN
C[C@@]1(c2ccccc2)NC(=O)N(NC(=O)COC(=O)c2cn(-c3ccccc3)nc2-c2cccs2)C1=O	ZINC000013128467	553449923	/nfs/dbraw/zinc/44/99/23/553449923.db2.gz	CRTMRNZOOLHXFU-SANMLTNESA-N	0	0	515.551	3.256	50	0		KGAARN
C[C@]1(c2ccccc2)NC(=O)N(NC(=O)COC(=O)c2cn(-c3ccccc3)nc2-c2cccs2)C1=O	ZINC000013128468	553449931	/nfs/dbraw/zinc/44/99/31/553449931.db2.gz	CRTMRNZOOLHXFU-AREMUKBSSA-N	0	0	515.551	3.256	50	0		KGAARN
Cc1occc1-c1nnc(SCC(=O)NN2C(=O)N[C@@](C)(c3ccccc3)C2=O)n1Cc1ccccc1	ZINC000013128510	553449976	/nfs/dbraw/zinc/44/99/76/553449976.db2.gz	LHRYUDIUWAIPAG-SANMLTNESA-N	0	0	516.583	3.485	50	0		KGAARN
Cc1occc1-c1nnc(SCC(=O)NN2C(=O)N[C@](C)(c3ccccc3)C2=O)n1Cc1ccccc1	ZINC000013128511	553449981	/nfs/dbraw/zinc/44/99/81/553449981.db2.gz	LHRYUDIUWAIPAG-AREMUKBSSA-N	0	0	516.583	3.485	50	0		KGAARN
Cc1cc(C)c(NC(=O)COC(=O)[C@H](NS(=O)(=O)c2ccc(Cl)c(Cl)c2)[C@@H](C)O)c(C)c1	ZINC000013129018	553450333	/nfs/dbraw/zinc/45/03/33/553450333.db2.gz	MAZWGIMDVXMNSD-JLTOFOAXSA-N	0	0	503.404	3.128	50	0		KGAARN
Cc1cc(C)c(NC(=O)COC(=O)[C@H](NS(=O)(=O)c2ccc(Cl)c(Cl)c2)[C@H](C)O)c(C)c1	ZINC000013129019	553450324	/nfs/dbraw/zinc/45/03/24/553450324.db2.gz	MAZWGIMDVXMNSD-VBKZILBWSA-N	0	0	503.404	3.128	50	0		KGAARN
Cc1cc(C)c(NC(=O)COC(=O)[C@@H](NS(=O)(=O)c2ccc(Cl)c(Cl)c2)[C@@H](C)O)c(C)c1	ZINC000013129020	553450314	/nfs/dbraw/zinc/45/03/14/553450314.db2.gz	MAZWGIMDVXMNSD-VLIAUNLRSA-N	0	0	503.404	3.128	50	0		KGAARN
Cc1cc(C)c(NC(=O)COC(=O)[C@@H](NS(=O)(=O)c2ccc(Cl)c(Cl)c2)[C@H](C)O)c(C)c1	ZINC000013129021	553450382	/nfs/dbraw/zinc/45/03/82/553450382.db2.gz	MAZWGIMDVXMNSD-XOBRGWDASA-N	0	0	503.404	3.128	50	0		KGAARN
CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)CN1C(=O)N[C@@](CC)(c2ccc(F)cc2)C1=O	ZINC000013129326	553450616	/nfs/dbraw/zinc/45/06/16/553450616.db2.gz	AEWDDUKXOTZUAX-MHZLTWQESA-N	0	0	528.581	3.256	50	0		KGAARN
CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)CN1C(=O)N[C@](CC)(c2ccc(F)cc2)C1=O	ZINC000013129327	553450595	/nfs/dbraw/zinc/45/05/95/553450595.db2.gz	AEWDDUKXOTZUAX-HHHXNRCGSA-N	0	0	528.581	3.256	50	0		KGAARN
COc1ccc(S(=O)(=O)N2CCCCCC2)cc1NCC(=O)Nc1ccc(N2CCOCC2)cc1	ZINC000013129328	553450626	/nfs/dbraw/zinc/45/06/26/553450626.db2.gz	YJHDQPDSBFEWRG-UHFFFAOYSA-N	0	0	502.637	3.147	50	0		KGAARN
COc1ccc(-n2c(SCC(=O)Nc3ccc4[nH]c(=O)[nH]c4c3)nc3ccccc3c2=O)cc1OC	ZINC000013129408	553450625	/nfs/dbraw/zinc/45/06/25/553450625.db2.gz	FNPQCEBOFJVLSH-UHFFFAOYSA-N	0	0	503.540	3.303	50	0		KGAARN
CCOC(=O)c1c(C)c(C(C)=O)sc1NC(=O)COC(=O)C[C@@H](NC(N)=O)c1ccc(Cl)cc1	ZINC000013129679	553450792	/nfs/dbraw/zinc/45/07/92/553450792.db2.gz	SQMKRFKUDXTVHG-OAHLLOKOSA-N	0	0	509.968	3.371	50	0		KGAARN
CCOC(=O)c1c(C)c(C(C)=O)sc1NC(=O)COC(=O)C[C@H](NC(N)=O)c1ccc(Cl)cc1	ZINC000013129680	553450751	/nfs/dbraw/zinc/45/07/51/553450751.db2.gz	SQMKRFKUDXTVHG-HNNXBMFYSA-N	0	0	509.968	3.371	50	0		KGAARN
NC(=O)N[C@@H](CC(=O)OCC(=O)Nc1sc2c(c1C(N)=O)CCC2)c1cccc(Oc2ccccc2)c1	ZINC000013129718	553450839	/nfs/dbraw/zinc/45/08/39/553450839.db2.gz	GMZUNSNDQJOPRJ-IBGZPJMESA-N	0	0	522.583	3.409	50	0		KGAARN
NC(=O)N[C@H](CC(=O)OCC(=O)Nc1sc2c(c1C(N)=O)CCC2)c1cccc(Oc2ccccc2)c1	ZINC000013129719	553450763	/nfs/dbraw/zinc/45/07/63/553450763.db2.gz	GMZUNSNDQJOPRJ-LJQANCHMSA-N	0	0	522.583	3.409	50	0		KGAARN
Nc1c(N(CCO)C(=O)c2ccccc2OCc2ccccc2Cl)c(=O)[nH]c(=O)n1Cc1ccccc1	ZINC000013129755	553451016	/nfs/dbraw/zinc/45/10/16/553451016.db2.gz	QWUHZSHBXNULPB-UHFFFAOYSA-N	0	0	520.973	3.039	50	0		KGAARN
COC(=O)c1ccc2c(c1)nc(SCC(=O)N(Cc1ccccc1)Cc1ccccc1)n(CCO)c2=O	ZINC000013129789	553450977	/nfs/dbraw/zinc/45/09/77/553450977.db2.gz	GDDFPRAGIZBOKJ-UHFFFAOYSA-N	0	0	517.607	3.497	50	0		KGAARN
CCn1c(SCC(=O)c2ccc3c(c2)OCO3)nnc1-c1cccc(S(=O)(=O)N2CCCC2)c1	ZINC000013129897	553450993	/nfs/dbraw/zinc/45/09/93/553450993.db2.gz	HTPCIGTZEIFHON-UHFFFAOYSA-N	0	0	500.602	3.453	50	0		KGAARN
CCOc1ccccc1C(=O)NCC(=O)OCC(=O)Nc1ccc(C(=O)Nc2ccc(OC)cc2)cc1	ZINC000013130228	553451295	/nfs/dbraw/zinc/45/12/95/553451295.db2.gz	ZARMLPKOJCHSRY-UHFFFAOYSA-N	0	0	505.527	3.258	50	0		KGAARN
C[C@@H](OC(=O)c1cccc(S(=O)(=O)N(Cc2ccccc2)c2ccc(Cl)cc2)c1)C(=O)NC(N)=O	ZINC000013130269	553451254	/nfs/dbraw/zinc/45/12/54/553451254.db2.gz	RVSCHSQEOZAINN-MRXNPFEDSA-N	0	0	515.975	3.476	50	0		KGAARN
C[C@H](OC(=O)c1cccc(S(=O)(=O)N(Cc2ccccc2)c2ccc(Cl)cc2)c1)C(=O)NC(N)=O	ZINC000013130271	553451282	/nfs/dbraw/zinc/45/12/82/553451282.db2.gz	RVSCHSQEOZAINN-INIZCTEOSA-N	0	0	515.975	3.476	50	0		KGAARN
COc1cc(N2C(=O)c3ccccc3C2=O)c(Cl)cc1C(=O)OCC(=O)Nc1sccc1C(N)=O	ZINC000013130312	553451277	/nfs/dbraw/zinc/45/12/77/553451277.db2.gz	SDMAHRIQMZSPNX-UHFFFAOYSA-N	0	0	513.915	3.105	50	0		KGAARN
COc1ccc(NC(=O)COC(=O)c2ccc3c(c2)C(=O)N(c2ccc(NC(C)=O)cc2)C3=O)cc1OC	ZINC000013131447	553451378	/nfs/dbraw/zinc/45/13/78/553451378.db2.gz	UCIYQHDGQDTDPH-UHFFFAOYSA-N	0	0	517.494	3.258	50	0		KGAARN
COc1ccc(S(=O)(=O)NCC(=O)NC[C@H](c2c[nH]c3ccccc32)c2ccc(N(C)C)cc2)cc1	ZINC000013132246	553451646	/nfs/dbraw/zinc/45/16/46/553451646.db2.gz	GWQBBBNNNOBHFI-DEOSSOPVSA-N	0	0	506.628	3.469	50	0		KGAARN
COc1ccc(S(=O)(=O)NCC(=O)NC[C@@H](c2c[nH]c3ccccc32)c2ccc(N(C)C)cc2)cc1	ZINC000013132249	553451673	/nfs/dbraw/zinc/45/16/73/553451673.db2.gz	GWQBBBNNNOBHFI-XMMPIXPASA-N	0	0	506.628	3.469	50	0		KGAARN
O=C(CN1CCN(S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)CC1)N1CCc2ccccc2C1	ZINC000013133789	553451817	/nfs/dbraw/zinc/45/18/17/553451817.db2.gz	FVXXXOXQNBSZRA-UHFFFAOYSA-N	0	0	501.958	3.250	50	0		KGAARN
CCOc1ccc(CN2C(=O)c3ccccc3C2=O)cc1C(=O)OCC(=O)N1CCN(c2ccccc2)CC1	ZINC000013134610	553452262	/nfs/dbraw/zinc/45/22/62/553452262.db2.gz	ZHFNOHHGEVATJV-UHFFFAOYSA-N	0	0	527.577	3.387	50	0		KGAARN
CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccc(OC)c(S(=O)(=O)N3CCCCC3)c2)ccc1C	ZINC000013134742	553452483	/nfs/dbraw/zinc/45/24/83/553452483.db2.gz	KHQBNODIMHIBOY-UHFFFAOYSA-N	0	0	523.677	3.461	50	0		KGAARN
COc1ccc(NC(=O)c2cc(S(=O)(=O)N(C)C)ccc2Cl)cc1S(=O)(=O)N1CCCCC1	ZINC000013134745	553452494	/nfs/dbraw/zinc/45/24/94/553452494.db2.gz	JILPYILEDRSJMO-UHFFFAOYSA-N	0	0	516.041	3.026	50	0		KGAARN
Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1	ZINC000013134755	553452506	/nfs/dbraw/zinc/45/25/06/553452506.db2.gz	SHWYFKMXNNNHPQ-UHFFFAOYSA-N	0	0	500.042	3.326	50	0		KGAARN
CCCCn1c(N)c(N(CC(C)C)C(=O)CSc2ncnc3sc4c(c32)CCC4)c(=O)[nH]c1=O	ZINC000013134770	553452497	/nfs/dbraw/zinc/45/24/97/553452497.db2.gz	YKNZTIVHRUGNOF-UHFFFAOYSA-N	0	0	502.666	3.194	50	0		KGAARN
Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)Nc1ccc(N2CCOCC2)cc1N1CCOCC1	ZINC000013134775	553452505	/nfs/dbraw/zinc/45/25/05/553452505.db2.gz	PDKLSRBQFDJSLP-UHFFFAOYSA-N	0	0	528.675	3.095	50	0		KGAARN
COc1ccc(C(=O)Nc2nnc(C)s2)cc1S(=O)(=O)N1CCN(c2cccc(Cl)c2)CC1	ZINC000013135012	553452690	/nfs/dbraw/zinc/45/26/90/553452690.db2.gz	IIFUJYUTYSLEIS-UHFFFAOYSA-N	0	0	508.025	3.272	50	0		KGAARN
COc1ccc(-c2csc(NC(=O)c3ccc(C)c(S(=O)(=O)N4CCOCC4)c3)n2)c(OC)c1	ZINC000013135091	553452677	/nfs/dbraw/zinc/45/26/77/553452677.db2.gz	YHXCYSYRXBUPJW-UHFFFAOYSA-N	0	0	503.602	3.409	50	0		KGAARN
Cc1ccc(NC(=O)[C@@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)cc1S(=O)(=O)N1CCOCC1	ZINC000013135896	553452801	/nfs/dbraw/zinc/45/28/01/553452801.db2.gz	QPTGVYHGVNPVQP-LJQANCHMSA-N	0	0	506.024	3.160	50	0		KGAARN
Cc1ccc(NC(=O)[C@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)cc1S(=O)(=O)N1CCOCC1	ZINC000013135897	553452802	/nfs/dbraw/zinc/45/28/02/553452802.db2.gz	QPTGVYHGVNPVQP-IBGZPJMESA-N	0	0	506.024	3.160	50	0		KGAARN
CCOc1ccc(N2C[C@@H](C(=O)Nc3ccc(OC)c(S(=O)(=O)N4CCCCC4)c3)CC2=O)cc1	ZINC000013135903	553452806	/nfs/dbraw/zinc/45/28/06/553452806.db2.gz	FXQIFWTVKYBNBM-SFHVURJKSA-N	0	0	501.605	3.260	50	0		KGAARN
CCOc1ccc(N2C[C@H](C(=O)Nc3ccc(OC)c(S(=O)(=O)N4CCCCC4)c3)CC2=O)cc1	ZINC000013135904	553452823	/nfs/dbraw/zinc/45/28/23/553452823.db2.gz	FXQIFWTVKYBNBM-GOSISDBHSA-N	0	0	501.605	3.260	50	0		KGAARN
Cc1onc(-c2ccccc2)c1C(=O)OCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl	ZINC000013135933	553452813	/nfs/dbraw/zinc/45/28/13/553452813.db2.gz	ZGEOWEWSDVSJQN-UHFFFAOYSA-N	0	0	519.963	3.120	50	0		KGAARN
S=C(NC1CCCCC1)N1CCOCCOCCN(C(=S)NC2CCCCC2)CCOCCOCC1	ZINC000013136200	553453121	/nfs/dbraw/zinc/45/31/21/553453121.db2.gz	SSXVQELOCGLQHU-UHFFFAOYSA-N	0	0	544.828	3.085	50	0		KGAARN
CSCC[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)OCC(=O)NC12CC3CC(CC(C3)C1)C2	ZINC000013136897	553453086	/nfs/dbraw/zinc/45/30/86/553453086.db2.gz	BZWWDMZKTIVDMB-LZGZYFLISA-N	0	0	515.097	3.368	50	0		KGAARN
COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C[C@@H](NC(=O)c1ccccc1)c1ccccc1	ZINC000013137195	553453094	/nfs/dbraw/zinc/45/30/94/553453094.db2.gz	OCWPNIDZCXAMOW-HSZRJFAPSA-N	0	0	523.611	3.216	50	0		KGAARN
COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C[C@H](NC(=O)c1ccccc1)c1ccccc1	ZINC000013137196	553453129	/nfs/dbraw/zinc/45/31/29/553453129.db2.gz	OCWPNIDZCXAMOW-QHCPKHFHSA-N	0	0	523.611	3.216	50	0		KGAARN
CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2ccc(OC)c(S(=O)(=O)N3CCCCC3)c2)cc1	ZINC000013137198	553453132	/nfs/dbraw/zinc/45/31/32/553453132.db2.gz	GMTWJISFUWUJSQ-UHFFFAOYSA-N	0	0	509.650	3.153	50	0		KGAARN
CC(=O)Nc1ccc(-c2csc(NC(=O)c3ccc(C)c(S(=O)(=O)N4CCOCC4)c3)n2)cc1	ZINC000013137217	553453054	/nfs/dbraw/zinc/45/30/54/553453054.db2.gz	HNBBPOFZLYNSGC-UHFFFAOYSA-N	0	0	500.602	3.350	50	0		KGAARN
CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)Cc2coc3cc(OC)ccc23)c1	ZINC000013137252	553453208	/nfs/dbraw/zinc/45/32/08/553453208.db2.gz	CSWWEHSNVYUMHR-UHFFFAOYSA-N	0	0	501.605	3.490	50	0		KGAARN
CCCCCCn1nc(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2OC)c2ccccc2c1=O	ZINC000013137253	553453198	/nfs/dbraw/zinc/45/31/98/553453198.db2.gz	PBHSZRURGFTOJK-UHFFFAOYSA-N	0	0	528.631	3.259	50	0		KGAARN
COc1cc(C(=O)N[C@@H](CCSC)C(=O)Nc2ccc(N3CCOCC3)cc2)cc(OC)c1OC	ZINC000013137412	553453191	/nfs/dbraw/zinc/45/31/91/553453191.db2.gz	PFJYZIOGFRGIKN-FQEVSTJZSA-N	0	0	503.621	3.039	50	0		KGAARN
COc1cc(C(=O)N[C@H](CCSC)C(=O)Nc2ccc(N3CCOCC3)cc2)cc(OC)c1OC	ZINC000013137413	553453212	/nfs/dbraw/zinc/45/32/12/553453212.db2.gz	PFJYZIOGFRGIKN-HXUWFJFHSA-N	0	0	503.621	3.039	50	0		KGAARN
Cc1ccc(S(=O)(=O)N(C)c2ccc(OCC(=O)Nc3cccc(S(=O)(=O)N(C)C)c3)cc2)cc1	ZINC000013137421	553453214	/nfs/dbraw/zinc/45/32/14/553453214.db2.gz	GFHYCOKESQHMSP-UHFFFAOYSA-N	0	0	517.629	3.088	50	0		KGAARN
COc1ccc(NS(=O)(=O)c2ccc(OC)c(NC(=O)CCS(=O)(=O)c3ccccc3)c2)cc1	ZINC000013137473	553453173	/nfs/dbraw/zinc/45/31/73/553453173.db2.gz	KMXRWJOKPBTZER-UHFFFAOYSA-N	0	0	504.586	3.307	50	0		KGAARN
Cc1cc(C)n(-c2ccc(C(=O)N3CCN(S(=O)(=O)c4cccc(Br)c4)CC3)cc2)n1	ZINC000013137736	553453233	/nfs/dbraw/zinc/45/32/33/553453233.db2.gz	CHLLETUQOQGCIG-UHFFFAOYSA-N	0	0	503.422	3.398	50	0		KGAARN
COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1	ZINC000013137738	553453158	/nfs/dbraw/zinc/45/31/58/553453158.db2.gz	NGQZZPCHYMBWNS-UHFFFAOYSA-N	0	0	521.661	3.297	50	0		KGAARN
Cc1ccc(C)c(N2C(=O)c3ccc(C(=O)N4CCN(S(=O)(=O)c5ccccc5)CC4)cc3C2=O)c1	ZINC000013137843	553453226	/nfs/dbraw/zinc/45/32/26/553453226.db2.gz	SHGLVUMZPUUGHJ-UHFFFAOYSA-N	0	0	503.580	3.251	50	0		KGAARN
CCCN(CCC)S(=O)(=O)c1cccc(C(=O)Nc2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)c1	ZINC000013137890	553453182	/nfs/dbraw/zinc/45/31/82/553453182.db2.gz	STHAIOYFRGTBJZ-UHFFFAOYSA-N	0	0	523.677	3.079	50	0		KGAARN
CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)c2ccc3c(c2)C(=O)N(Cc2ccncc2)C3=O)c1	ZINC000013137898	553453461	/nfs/dbraw/zinc/45/34/61/553453461.db2.gz	RJXJHPOGIUSRIG-UHFFFAOYSA-N	0	0	522.583	3.169	50	0		KGAARN
COc1ccc(-c2nc(NC(=O)c3cccc(S(=O)(=O)N4CCN(C(C)=O)CC4)c3)sc2C)cc1	ZINC000013137930	553453439	/nfs/dbraw/zinc/45/34/39/553453439.db2.gz	RCMBBUVIADAWER-UHFFFAOYSA-N	0	0	514.629	3.232	50	0		KGAARN
O=C(Cc1ccccc1)Nc1ccccc1C(=O)OCC(=O)N(Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1	ZINC000013137977	553453454	/nfs/dbraw/zinc/45/34/54/553453454.db2.gz	YYNKNMRERBJLCX-HSZRJFAPSA-N	0	0	520.607	3.241	50	0		KGAARN
O=C(Cc1ccccc1)Nc1ccccc1C(=O)OCC(=O)N(Cc1ccccc1)[C@H]1CCS(=O)(=O)C1	ZINC000013137978	553453458	/nfs/dbraw/zinc/45/34/58/553453458.db2.gz	YYNKNMRERBJLCX-QHCPKHFHSA-N	0	0	520.607	3.241	50	0		KGAARN
CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)CCNS(=O)(=O)c1cc(C)ccc1C	ZINC000013138047	553453450	/nfs/dbraw/zinc/45/34/50/553453450.db2.gz	DTFCOQLFSXDOBQ-UHFFFAOYSA-N	0	0	505.637	3.245	50	0		KGAARN
CCOC(=O)C1CCN(Cn2nc(-c3cccc(S(=O)(=O)N4CCCC4)c3)n(CC)c2=S)CC1	ZINC000013138049	553453464	/nfs/dbraw/zinc/45/34/64/553453464.db2.gz	MKJRTEWNUVYDQP-UHFFFAOYSA-N	0	0	507.682	3.118	50	0		KGAARN
COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1	ZINC000013138097	553453437	/nfs/dbraw/zinc/45/34/37/553453437.db2.gz	SDMQDRHFCHLVED-UHFFFAOYSA-N	0	0	519.583	3.216	50	0		KGAARN
CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)[C@@H]2CS[C@@]3(c4cccs4)CCC(=O)N23)c1	ZINC000013138129	553453586	/nfs/dbraw/zinc/45/35/86/553453586.db2.gz	AQERWERUNHNVBY-HTAPYJJXSA-N	0	0	509.675	3.317	50	0		KGAARN
CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)[C@H]2CS[C@@]3(c4cccs4)CCC(=O)N23)c1	ZINC000013138130	553453584	/nfs/dbraw/zinc/45/35/84/553453584.db2.gz	AQERWERUNHNVBY-VGOFRKELSA-N	0	0	509.675	3.317	50	0		KGAARN
CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)[C@@H]2CS[C@]3(c4cccs4)CCC(=O)N23)c1	ZINC000013138131	553453605	/nfs/dbraw/zinc/45/36/05/553453605.db2.gz	AQERWERUNHNVBY-JTSKRJEESA-N	0	0	509.675	3.317	50	0		KGAARN
CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)[C@H]2CS[C@]3(c4cccs4)CCC(=O)N23)c1	ZINC000013138132	553453603	/nfs/dbraw/zinc/45/36/03/553453603.db2.gz	AQERWERUNHNVBY-VGSWGCGISA-N	0	0	509.675	3.317	50	0		KGAARN
COc1cc(NC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)c(OC)cc1NC(=O)c1ccccc1	ZINC000013138178	553453654	/nfs/dbraw/zinc/45/36/54/553453654.db2.gz	DJISWFZXBCBNOC-UHFFFAOYSA-N	0	0	525.583	3.229	50	0		KGAARN
CCOC(=O)c1ccccc1NC(=O)c1cn(CC)c2cc(N3CCN(C(C)=O)CC3)c(F)cc2c1=O	ZINC000013138181	553453610	/nfs/dbraw/zinc/45/36/10/553453610.db2.gz	XGDUYNFSGRUQCH-UHFFFAOYSA-N	0	0	508.550	3.258	50	0		KGAARN
O=C(Cc1ccc(-c2ccccc2)cc1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1	ZINC000013138213	553453624	/nfs/dbraw/zinc/45/36/24/553453624.db2.gz	MADNOALLQGVSMJ-UHFFFAOYSA-N	0	0	521.639	3.392	50	0		KGAARN
Cc1ccc(C)c(N2C(=O)c3ccc(C(=O)Nc4cccc(S(=O)(=O)N5CCOCC5)c4)cc3C2=O)c1	ZINC000013138264	553453823	/nfs/dbraw/zinc/45/38/23/553453823.db2.gz	OVFINOYHENOGQQ-UHFFFAOYSA-N	0	0	519.579	3.377	50	0		KGAARN
CCOc1cc(C(=O)Nc2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)cc(OCC)c1OCC	ZINC000013138293	553453826	/nfs/dbraw/zinc/45/38/26/553453826.db2.gz	XDUSCIQCJCAPQN-UHFFFAOYSA-N	0	0	508.593	3.165	50	0		KGAARN
COc1ccc(S(=O)(=O)N2CCCCCC2)cc1NC(=O)[C@H]1CC(=O)N(c2ccccc2OC)C1	ZINC000013138393	553453820	/nfs/dbraw/zinc/45/38/20/553453820.db2.gz	LWPWSBALTRLSIH-SFHVURJKSA-N	0	0	501.605	3.260	50	0		KGAARN
COc1ccc(S(=O)(=O)N2CCCCCC2)cc1NC(=O)[C@@H]1CC(=O)N(c2ccccc2OC)C1	ZINC000013138399	553453824	/nfs/dbraw/zinc/45/38/24/553453824.db2.gz	LWPWSBALTRLSIH-GOSISDBHSA-N	0	0	501.605	3.260	50	0		KGAARN
Cn1nc(C(=O)Nc2cc(S(=O)(=O)Nc3ccc(Cl)cc3)ccc2N2CCCCC2)ccc1=O	ZINC000013138874	553453789	/nfs/dbraw/zinc/45/37/89/553453789.db2.gz	XZKMJFSMXZRBTI-UHFFFAOYSA-N	0	0	501.996	3.477	50	0		KGAARN
CCN(CC)C(=O)CSc1nc2ccccc2c(=O)n1CCC(=O)N1CCN(c2ccccc2)CC1	ZINC000013139373	553453996	/nfs/dbraw/zinc/45/39/96/553453996.db2.gz	ZKUJEVPJQIQAQE-UHFFFAOYSA-N	0	0	507.660	3.096	50	0		KGAARN
CCN(CC)S(=O)(=O)c1cc(NC(=O)c2ccc(OC)c(S(=O)(=O)N3CCCC3)c2)ccc1C	ZINC000013139510	553454068	/nfs/dbraw/zinc/45/40/68/553454068.db2.gz	DDVYTARIGVOELH-UHFFFAOYSA-N	0	0	509.650	3.071	50	0		KGAARN
Cc1ccccc1N1C(=O)c2ccc(C(=O)Nc3cccc(S(=O)(=O)N4CCOCC4)c3)cc2C1=O	ZINC000013139539	553453978	/nfs/dbraw/zinc/45/39/78/553453978.db2.gz	XHGRVQBALALYMR-UHFFFAOYSA-N	0	0	505.552	3.069	50	0		KGAARN
Cc1ccccc1N1C(=O)c2ccc(C(=O)Nc3ccc(C)c(S(=O)(=O)N4CCOCC4)c3)cc2C1=O	ZINC000013139827	553454047	/nfs/dbraw/zinc/45/40/47/553454047.db2.gz	GQLXBNYKECYAJB-UHFFFAOYSA-N	0	0	519.579	3.377	50	0		KGAARN
CCOC(=O)c1c2c(sc1NC(=O)c1cc(S(=O)(=O)N3CCOCC3)ccc1F)C[C@@H](C)CC2	ZINC000013139869	553454015	/nfs/dbraw/zinc/45/40/15/553454015.db2.gz	PJUHXAKHKFWCFH-AWEZNQCLSA-N	0	0	510.609	3.462	50	0		KGAARN
CCOC(=O)c1c2c(sc1NC(=O)c1cc(S(=O)(=O)N3CCOCC3)ccc1F)C[C@H](C)CC2	ZINC000013139876	553454037	/nfs/dbraw/zinc/45/40/37/553454037.db2.gz	PJUHXAKHKFWCFH-CQSZACIVSA-N	0	0	510.609	3.462	50	0		KGAARN
COc1cc(CCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2OC(C)C)cc(OC)c1OC	ZINC000013139976	553454136	/nfs/dbraw/zinc/45/41/36/553454136.db2.gz	AMESUCHMUBEMRU-UHFFFAOYSA-N	0	0	522.620	3.092	50	0		KGAARN
COc1ccc(C(=O)Nc2nc(-c3ccc(NC(C)=O)cc3)cs2)cc1S(=O)(=O)N1CCOCC1	ZINC000013139983	553454166	/nfs/dbraw/zinc/45/41/66/553454166.db2.gz	HYUFXWYJZRTFMC-UHFFFAOYSA-N	0	0	516.601	3.050	50	0		KGAARN
CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=S)N2CCN(Cc3ccc4c(c3)OCO4)CC2)c1	ZINC000013140101	553454125	/nfs/dbraw/zinc/45/41/25/553454125.db2.gz	AEGZWUNMRWJLOL-UHFFFAOYSA-N	0	0	504.678	3.269	50	0		KGAARN
O=C(COC(=O)c1cccc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)c1)Nc1cccc(F)c1	ZINC000013140988	553454411	/nfs/dbraw/zinc/45/44/11/553454411.db2.gz	JYSJRVFYEDIWAZ-UHFFFAOYSA-N	0	0	515.538	3.271	50	0		KGAARN
CCOC(=O)c1c2c(sc1NC(=O)CN1CCN(S(=O)(=O)c3ccc(Cl)cc3)CC1)CCC2	ZINC000013141493	553454429	/nfs/dbraw/zinc/45/44/29/553454429.db2.gz	MFZGWWGOGTYCOV-UHFFFAOYSA-N	0	0	512.053	3.012	50	0		KGAARN
O=S(=O)(c1ccc(-c2cs/c(=N\c3ccccc3)n2CCCN2CCOCC2)cc1)N1CCOCC1	ZINC000013142521	553454495	/nfs/dbraw/zinc/45/44/95/553454495.db2.gz	NKLDKNRLVUDMKD-RQZHXJHFSA-N	0	0	528.700	3.192	50	0		KGAARN
Cc1onc(-c2ccccc2Cl)c1C(=O)OCC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1	ZINC000013144907	553454492	/nfs/dbraw/zinc/45/44/92/553454492.db2.gz	PQPVJCNUOHOMAL-UHFFFAOYSA-N	0	0	519.963	3.120	50	0		KGAARN
CCOC(=O)c1c(NC(=O)c2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)sc2c1CC[C@H](C)C2	ZINC000013145332	553454516	/nfs/dbraw/zinc/45/45/16/553454516.db2.gz	RQAUTJGJCOTERM-HNNXBMFYSA-N	0	0	522.645	3.331	50	0		KGAARN
CCOC(=O)c1c(NC(=O)c2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)sc2c1CC[C@@H](C)C2	ZINC000013145333	553454566	/nfs/dbraw/zinc/45/45/66/553454566.db2.gz	RQAUTJGJCOTERM-OAHLLOKOSA-N	0	0	522.645	3.331	50	0		KGAARN
CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(-n4nc(C)c(Cl)c4C)cc3)CC2)cc1	ZINC000013145457	553454789	/nfs/dbraw/zinc/45/47/89/553454789.db2.gz	CHTKCGIAUZIQOG-UHFFFAOYSA-N	0	0	501.008	3.492	50	0		KGAARN
CCOC(=O)c1sc(NC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2N2CCOCC2)cc1C	ZINC000013145536	553454785	/nfs/dbraw/zinc/45/47/85/553454785.db2.gz	GTFJUQVQEGFKRR-UHFFFAOYSA-N	0	0	521.661	3.497	50	0		KGAARN
CCN(CC)S(=O)(=O)c1cc(NC(=O)c2cccc(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)c2)ccc1C	ZINC000013145539	553454786	/nfs/dbraw/zinc/45/47/86/553454786.db2.gz	UDEGAERNCVBQGW-OALUTQOASA-N	0	0	523.677	3.076	50	0		KGAARN
CCN(CC)S(=O)(=O)c1cc(NC(=O)c2cccc(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)c2)ccc1C	ZINC000013145540	553454777	/nfs/dbraw/zinc/45/47/77/553454777.db2.gz	UDEGAERNCVBQGW-RTBURBONSA-N	0	0	523.677	3.076	50	0		KGAARN
CCN(CC)S(=O)(=O)c1cc(NC(=O)c2cccc(S(=O)(=O)N3C[C@@H](C)O[C@@H](C)C3)c2)ccc1C	ZINC000013145541	553454755	/nfs/dbraw/zinc/45/47/55/553454755.db2.gz	UDEGAERNCVBQGW-KDURUIRLSA-N	0	0	523.677	3.076	50	0		KGAARN
CCN(CC)c1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)c1ccc(S(=O)(=O)N(C)C)cc1	ZINC000013145542	553454775	/nfs/dbraw/zinc/45/47/75/553454775.db2.gz	BNLPXCHEXAVRTE-UHFFFAOYSA-N	0	0	510.682	3.066	50	0		KGAARN
CC[C@@H](C)n1c(SCC(=O)N2CCCCCC2)nnc1-c1cccc(S(=O)(=O)N2CCOCC2)c1	ZINC000013145545	553454781	/nfs/dbraw/zinc/45/47/81/553454781.db2.gz	OEDPINUAPJMWMP-LJQANCHMSA-N	0	0	521.709	3.432	50	0		KGAARN
CC[C@H](C)n1c(SCC(=O)N2CCCCCC2)nnc1-c1cccc(S(=O)(=O)N2CCOCC2)c1	ZINC000013145546	553454779	/nfs/dbraw/zinc/45/47/79/553454779.db2.gz	OEDPINUAPJMWMP-IBGZPJMESA-N	0	0	521.709	3.432	50	0		KGAARN
COc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)c2)cc1	ZINC000013145809	553454858	/nfs/dbraw/zinc/45/48/58/553454858.db2.gz	WLTQRXUAOBJVCW-UHFFFAOYSA-N	0	0	523.611	3.207	50	0		KGAARN
CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(NC(=O)c2cccc(S(=O)(=O)N(C)C)c2)c1	ZINC000013145859	553454934	/nfs/dbraw/zinc/45/49/34/553454934.db2.gz	RTPWNIHTDVIDEU-UHFFFAOYSA-N	0	0	522.693	3.210	50	0		KGAARN
COc1ccc(OC)c(CN2CCN(C(=O)c3cccc(S(=O)(=O)N(C)c4ccccc4)c3)CC2)c1	ZINC000013145943	553454902	/nfs/dbraw/zinc/45/49/02/553454902.db2.gz	TWJBDZVIDBDQJR-UHFFFAOYSA-N	0	0	509.628	3.487	50	0		KGAARN
CC(C)CCOc1ccc(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCOCC2)cc1	ZINC000013146044	553455138	/nfs/dbraw/zinc/45/51/38/553455138.db2.gz	XZXJXESAXLKPPV-UHFFFAOYSA-N	0	0	517.648	3.221	50	0		KGAARN
CC(=O)NC12C[C@@H]3C[C@H](C1)CC(C(=O)N1CCN(S(=O)(=O)c4cccc(C(F)(F)F)c4)CC1)(C3)C2	ZINC000013146517	553455309	/nfs/dbraw/zinc/45/53/09/553455309.db2.gz	SUBPFXUHVZMDSO-WVKNIADZSA-N	0	0	513.582	3.013	50	0		KGAARN
CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1	ZINC000013146522	553455217	/nfs/dbraw/zinc/45/52/17/553455217.db2.gz	LRCAGVLDABMQDI-UHFFFAOYSA-N	0	0	520.655	3.247	50	0		KGAARN
O=C(Nc1nc(-c2ccccn2)cs1)c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1	ZINC000013147564	553455451	/nfs/dbraw/zinc/45/54/51/553455451.db2.gz	VSZUYXXVJIFHGG-UHFFFAOYSA-N	0	0	513.645	3.469	50	0		KGAARN
CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)Nc1ccc(N3CCOCC3)cc1)n2CC	ZINC000013147594	553455441	/nfs/dbraw/zinc/45/54/41/553455441.db2.gz	AQBCCGUSPLHXDB-UHFFFAOYSA-N	0	0	513.664	3.495	50	0		KGAARN
CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CCN(Cc3cc(OC)ccc3OC)CC2)c1	ZINC000013147729	553455699	/nfs/dbraw/zinc/45/56/99/553455699.db2.gz	UVUUDPAVEHZHPR-UHFFFAOYSA-N	0	0	510.056	3.346	50	0		KGAARN
C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)Nc3ccc(S(=O)(=O)N4CCCC4)cc3)cc2)C1	ZINC000013147841	553455654	/nfs/dbraw/zinc/45/56/54/553455654.db2.gz	HUKHCSSTQLTGLU-RTBURBONSA-N	0	0	505.662	3.390	50	0		KGAARN
C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)Nc3ccc(S(=O)(=O)N4CCCC4)cc3)cc2)C1	ZINC000013147843	553455660	/nfs/dbraw/zinc/45/56/60/553455660.db2.gz	HUKHCSSTQLTGLU-KDURUIRLSA-N	0	0	505.662	3.390	50	0		KGAARN
C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)Nc3ccc(S(=O)(=O)N4CCCC4)cc3)cc2)C1	ZINC000013147844	553455658	/nfs/dbraw/zinc/45/56/58/553455658.db2.gz	HUKHCSSTQLTGLU-OALUTQOASA-N	0	0	505.662	3.390	50	0		KGAARN
CCN(CC)S(=O)(=O)c1cccc(C(=O)N[C@H](C(=O)OCC(=O)Nc2ccc(C)c(F)c2)C(C)C)c1	ZINC000013148118	553455639	/nfs/dbraw/zinc/45/56/39/553455639.db2.gz	FUXXABNVVSADGO-QHCPKHFHSA-N	0	0	521.611	3.101	50	0		KGAARN
O=C(COn1nnc2ccc(C(F)(F)F)cc21)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl	ZINC000013148174	553455642	/nfs/dbraw/zinc/45/56/42/553455642.db2.gz	IOVHJDCXZRXMRT-UHFFFAOYSA-N	0	0	517.917	3.345	50	0		KGAARN
COc1ccc(OC)c(CN2CCN(C(=O)c3ccc(S(=O)(=O)N4CCCCCC4)cc3)CC2)c1	ZINC000013148278	553455762	/nfs/dbraw/zinc/45/57/62/553455762.db2.gz	RTKHFJPSTURUPE-UHFFFAOYSA-N	0	0	501.649	3.227	50	0		KGAARN
COc1ccc(NS(=O)(=O)c2cc(NC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)ccc2C)cc1	ZINC000013148373	553455764	/nfs/dbraw/zinc/45/57/64/553455764.db2.gz	WUYVFXDCSCEHBT-UHFFFAOYSA-N	0	0	503.602	3.307	50	0		KGAARN
CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)c2nn(C(C)C)c(=O)c3ccccc32)c1	ZINC000013148376	553455811	/nfs/dbraw/zinc/45/58/11/553455811.db2.gz	RVJCETSIYBYUQI-UHFFFAOYSA-N	0	0	527.647	3.097	50	0		KGAARN
COc1ccc(NC(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccccc2)cc1S(=O)(=O)N1CCCCC1	ZINC000013148656	553455950	/nfs/dbraw/zinc/45/59/50/553455950.db2.gz	WONVEVHUDXDSLV-NRFANRHFSA-N	0	0	521.661	3.052	50	0		KGAARN
COc1ccc(NC(=O)[C@H]2CCCCN2S(=O)(=O)c2ccccc2)cc1S(=O)(=O)N1CCCCC1	ZINC000013148657	553456030	/nfs/dbraw/zinc/45/60/30/553456030.db2.gz	WONVEVHUDXDSLV-OAQYLSRUSA-N	0	0	521.661	3.052	50	0		KGAARN
O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)c1ccc2c(c1)nc1n(c2=O)CCCCC1	ZINC000013148832	553456150	/nfs/dbraw/zinc/45/61/50/553456150.db2.gz	BHEGBYBHLKXESD-UHFFFAOYSA-N	0	0	517.007	3.050	50	0		KGAARN
CCOC(=O)C1=C(NC(=O)c2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)Nc2ccccc2N=C1CC	ZINC000013148835	553456134	/nfs/dbraw/zinc/45/61/34/553456134.db2.gz	BRRLJBPHHMIGEV-UHFFFAOYSA-N	0	0	526.615	3.129	50	0		KGAARN
CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2C)c1	ZINC000013148837	553456138	/nfs/dbraw/zinc/45/61/38/553456138.db2.gz	BHIWOIIINXDTMV-UHFFFAOYSA-N	0	0	523.677	3.461	50	0		KGAARN
CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)CCc2cc(OC)c(OC)c(OC)c2)c1	ZINC000013148886	553456114	/nfs/dbraw/zinc/45/61/14/553456114.db2.gz	BWFGLRPEGJONGY-UHFFFAOYSA-N	0	0	535.663	3.151	50	0		KGAARN
COc1ccc(C(=O)c2ccccc2)c(OCC(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)c1	ZINC000013149912	553456495	/nfs/dbraw/zinc/45/64/95/553456495.db2.gz	ZXHOJIABNHNTTA-UHFFFAOYSA-N	0	0	508.596	3.147	50	0		KGAARN
CCOc1ccc(NC(=O)c2ccc(NC(=O)COC(=O)CNC(=O)COc3ccccc3)cc2)cc1	ZINC000013149954	553456454	/nfs/dbraw/zinc/45/64/54/553456454.db2.gz	MRHUTMUWXFIEKD-UHFFFAOYSA-N	0	0	505.527	3.015	50	0		KGAARN
C[C@H](c1nnc(SCC(=O)Nc2cccc(S(N)(=O)=O)c2)n1-c1ccc(F)cc1)N1CCCCC1	ZINC000013150075	553456504	/nfs/dbraw/zinc/45/65/04/553456504.db2.gz	KVUHRRHBDOBIGC-MRXNPFEDSA-N	0	0	518.640	3.332	50	0		KGAARN
C[C@@H](c1nnc(SCC(=O)Nc2cccc(S(N)(=O)=O)c2)n1-c1ccc(F)cc1)N1CCCCC1	ZINC000013150076	553456508	/nfs/dbraw/zinc/45/65/08/553456508.db2.gz	KVUHRRHBDOBIGC-INIZCTEOSA-N	0	0	518.640	3.332	50	0		KGAARN
Cc1cc(Cl)c(S(=O)(=O)N2CCN(c3ccccn3)CC2)cc1OCC(=O)NC1CCCCC1	ZINC000013153238	553456946	/nfs/dbraw/zinc/45/69/46/553456946.db2.gz	MKUGRUUBIPTHQC-UHFFFAOYSA-N	0	0	507.056	3.382	50	0		KGAARN
O=C(CCC(=O)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1)NCc1ccccc1Cl	ZINC000013163273	553457089	/nfs/dbraw/zinc/45/70/89/553457089.db2.gz	HEAHBKDPMFQGDY-UHFFFAOYSA-N	0	0	500.020	3.423	50	0		KGAARN
O=C(CCNC1=NS(=O)(=O)c2ccccc21)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1	ZINC000013163335	553457074	/nfs/dbraw/zinc/45/70/74/553457074.db2.gz	HWXZQQYIJAZCEB-UHFFFAOYSA-N	0	0	524.593	3.327	50	0		KGAARN
CN1CCN(S(=O)(=O)c2ccc(N3CCN(C(c4ccc(F)cc4)c4ccc(F)cc4)CC3)nc2)CC1	ZINC000013163376	553457054	/nfs/dbraw/zinc/45/70/54/553457054.db2.gz	HSQCMCVNCGISQR-UHFFFAOYSA-N	0	0	527.641	3.208	50	0		KGAARN
Cc1cc(C(=O)COC(=O)[C@@]23CCC(=O)N2c2ccccc2C(=O)N3C2CC2)c(C)n1C[C@@H]1CCCO1	ZINC000013163470	553457102	/nfs/dbraw/zinc/45/71/02/553457102.db2.gz	YBEYHQQUUJSGRG-WTYVLRPYSA-N	0	0	505.571	3.151	50	0		KGAARN
Cc1cc(C(=O)COC(=O)[C@]23CCC(=O)N2c2ccccc2C(=O)N3C2CC2)c(C)n1C[C@@H]1CCCO1	ZINC000013163471	553457043	/nfs/dbraw/zinc/45/70/43/553457043.db2.gz	YBEYHQQUUJSGRG-MMTVBGGISA-N	0	0	505.571	3.151	50	0		KGAARN
Cc1cc(C(=O)COC(=O)[C@@]23CCC(=O)N2c2ccccc2C(=O)N3C2CC2)c(C)n1C[C@H]1CCCO1	ZINC000013163472	553457058	/nfs/dbraw/zinc/45/70/58/553457058.db2.gz	YBEYHQQUUJSGRG-PIIWDFAUSA-N	0	0	505.571	3.151	50	0		KGAARN
Cc1cc(C(=O)COC(=O)[C@]23CCC(=O)N2c2ccccc2C(=O)N3C2CC2)c(C)n1C[C@H]1CCCO1	ZINC000013163473	553457098	/nfs/dbraw/zinc/45/70/98/553457098.db2.gz	YBEYHQQUUJSGRG-NGOKVRLYSA-N	0	0	505.571	3.151	50	0		KGAARN
O=c1cc(Cn2cc(S(=O)(=O)N(Cc3ccccc3)Cc3ccccc3)ccc2=O)nc2sccn21	ZINC000013163652	553457257	/nfs/dbraw/zinc/45/72/57/553457257.db2.gz	IPBMBEIRUWWWJZ-UHFFFAOYSA-N	0	0	518.620	3.357	50	0		KGAARN
CCOC(=O)c1cc(CC)sc1NC(=O)COC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1	ZINC000013163970	553457258	/nfs/dbraw/zinc/45/72/58/553457258.db2.gz	SWBHXMHXOWJSNK-UHFFFAOYSA-N	0	0	508.618	3.457	50	0		KGAARN
O=C(CCCSc1nc2ccccc2s1)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1	ZINC000013164232	553457267	/nfs/dbraw/zinc/45/72/67/553457267.db2.gz	PLDBLVVUVHCTLL-UHFFFAOYSA-N	0	0	519.670	3.473	50	0		KGAARN
CCOC(=O)c1c(CC(C)C)csc1NC(=O)COC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1	ZINC000013165203	553457237	/nfs/dbraw/zinc/45/72/37/553457237.db2.gz	IMIXFMDJBRZFBH-UHFFFAOYSA-N	0	0	502.998	3.220	50	0		KGAARN
CCOC(=O)c1oc2ccccc2c1NC(=O)COC(=O)CSc1nnnn1-c1cc(C)ccc1C	ZINC000013165311	553457400	/nfs/dbraw/zinc/45/74/00/553457400.db2.gz	BDXDTDJMIJVAGW-UHFFFAOYSA-N	0	0	509.544	3.476	50	0		KGAARN
Cc1ccc(C)c(-n2nnnc2SCC(=O)NCCN2C(=O)S/C(=C\c3ccccc3F)C2=O)c1	ZINC000013165400	553457457	/nfs/dbraw/zinc/45/74/57/553457457.db2.gz	ZYJWIMMIMLLPCO-UNOMPAQXSA-N	0	0	512.592	3.363	50	0		KGAARN
O=C(c1ccc(S(=O)(=O)N2CCOCC2)cc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1	ZINC000013165401	553457434	/nfs/dbraw/zinc/45/74/34/553457434.db2.gz	GYJIQICVVZDUQJ-UHFFFAOYSA-N	0	0	505.640	3.255	50	0		KGAARN
CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccncc3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2	ZINC000013282841	553457534	/nfs/dbraw/zinc/45/75/34/553457534.db2.gz	NVNAIJREYDDYOT-GLSAMTQTSA-N	0	0	511.559	3.059	50	0		KGAARN
Cc1c(C(=O)N2CCN(c3ccc(F)cc3)CC2)sc2ncn(CC(=O)N3C[C@H](C)C[C@H](C)C3)c(=O)c12	ZINC000013298159	553457789	/nfs/dbraw/zinc/45/77/89/553457789.db2.gz	RQUDOWBEZCMDPX-HDICACEKSA-N	0	0	525.650	3.372	50	0		KGAARN
CCN(CC)C(=O)Cn1cnc2sc(C(=O)N3CCN(c4cccc(Cl)c4)CC3)c(C)c2c1=O	ZINC000013361678	553458647	/nfs/dbraw/zinc/45/86/47/553458647.db2.gz	YJBHFZALDQPSAT-UHFFFAOYSA-N	0	0	502.040	3.251	50	0		KGAARN
CC(C)(C)OC(=O)N1CCC2(CC1)N=C(c1cccs1)C(=O)N2CC(=O)Nc1ccc2c(c1)OCO2	ZINC000013363114	553458550	/nfs/dbraw/zinc/45/85/50/553458550.db2.gz	PLUFJJBGFGVYJT-UHFFFAOYSA-N	0	0	512.588	3.474	50	0		KGAARN
COc1ccc([C@@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)NCCN4CCOCC4)c(Cl)c3N2)cc1OC	ZINC000013387896	553458923	/nfs/dbraw/zinc/45/89/23/553458923.db2.gz	HWPNJBLQCKDOEO-YOEHRIQHSA-N	0	0	517.936	3.276	50	0		KGAARN
COc1ccc([C@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)NCCN4CCOCC4)c(Cl)c3N2)cc1OC	ZINC000013387897	553459019	/nfs/dbraw/zinc/45/90/19/553459019.db2.gz	HWPNJBLQCKDOEO-PBHICJAKSA-N	0	0	517.936	3.276	50	0		KGAARN
COc1ccc([C@@H]2C[C@H](C(F)(F)F)n3nc(C(=O)NCCN4CCOCC4)c(Cl)c3N2)cc1OC	ZINC000013387898	553458993	/nfs/dbraw/zinc/45/89/93/553458993.db2.gz	HWPNJBLQCKDOEO-WMLDXEAASA-N	0	0	517.936	3.276	50	0		KGAARN
COc1ccc([C@H]2C[C@H](C(F)(F)F)n3nc(C(=O)NCCN4CCOCC4)c(Cl)c3N2)cc1OC	ZINC000013387899	553459030	/nfs/dbraw/zinc/45/90/30/553459030.db2.gz	HWPNJBLQCKDOEO-RHSMWYFYSA-N	0	0	517.936	3.276	50	0		KGAARN
CCN(CC)C(=O)CSc1nc2ccccc2c(=O)n1CCC(=O)NCCc1ccc(OC)c(OC)c1	ZINC000013496832	553464316	/nfs/dbraw/zinc/46/43/16/553464316.db2.gz	XGPZFMJMARBYHG-UHFFFAOYSA-N	0	0	526.659	3.123	50	0		KGAARN
COc1ccc(CNC(=O)CSc2nc3n[nH]cc3c(=O)n2-c2ccccc2Br)cc1	ZINC000013523789	553468617	/nfs/dbraw/zinc/46/86/17/553468617.db2.gz	VCMDFBZQQFGJDB-UHFFFAOYSA-N	0	0	500.378	3.288	50	0		KGAARN
CCN(C(=O)CSc1nnc(-c2ccncc2)n1-c1cccc(Cl)c1C)[C@@H]1CCS(=O)(=O)C1	ZINC000013523904	553468683	/nfs/dbraw/zinc/46/86/83/553468683.db2.gz	IZYSOPQQWNXBOQ-QGZVFWFLSA-N	0	0	506.053	3.419	50	0		KGAARN
CCN(C(=O)CSc1nnc(-c2ccncc2)n1-c1cccc(Cl)c1C)[C@H]1CCS(=O)(=O)C1	ZINC000013523910	553468676	/nfs/dbraw/zinc/46/86/76/553468676.db2.gz	IZYSOPQQWNXBOQ-KRWDZBQOSA-N	0	0	506.053	3.419	50	0		KGAARN
O=C(CSc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)n1C1CCCCCC1)NC1CC1	ZINC000013524064	553468677	/nfs/dbraw/zinc/46/86/77/553468677.db2.gz	JPKHUHKQOWLELS-UHFFFAOYSA-N	0	0	519.693	3.232	50	0		KGAARN
O=C(CCCc1nc2ccccc2s1)OCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1	ZINC000013524642	553468630	/nfs/dbraw/zinc/46/86/30/553468630.db2.gz	FDKIYRFVGQRZNX-UHFFFAOYSA-N	0	0	522.048	3.349	50	0		KGAARN
C[C@@H](NC(=O)COC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)C12CC3CC(CC(C3)C1)C2	ZINC000013524721	553468778	/nfs/dbraw/zinc/46/87/78/553468778.db2.gz	WFHCEXAMRCUGKU-ASXFNGKXSA-N	0	0	525.067	3.239	50	0		KGAARN
C[C@H](NC(=O)COC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)C12CC3CC(CC(C3)C1)C2	ZINC000013524726	553468757	/nfs/dbraw/zinc/46/87/57/553468757.db2.gz	WFHCEXAMRCUGKU-DUXBZUBYSA-N	0	0	525.067	3.239	50	0		KGAARN
O=C(COC(=O)CCNS(=O)(=O)c1cccc(C(F)(F)F)c1)Nc1ncc(Cl)cc1Cl	ZINC000013525307	553468751	/nfs/dbraw/zinc/46/87/51/553468751.db2.gz	AENQBAMJKHXHMM-UHFFFAOYSA-N	0	0	500.282	3.258	50	0		KGAARN
O=C(COC(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1)Nc1c(F)cccc1F	ZINC000013525581	553468965	/nfs/dbraw/zinc/46/89/65/553468965.db2.gz	CHXOZTLOUZWCOC-UHFFFAOYSA-N	0	0	504.467	3.332	50	0		KGAARN
O=C(/C=C/c1cn(-c2ccccc2)nc1-c1cc2ccccc2o1)OCC(=O)N[C@H]1CCS(=O)(=O)C1	ZINC000013526662	553469175	/nfs/dbraw/zinc/46/91/75/553469175.db2.gz	HLZHYUJFALBTGV-CFGKVWFZSA-N	0	0	505.552	3.145	50	0		KGAARN
COc1cccc(-n2c(-c3cccc(S(=O)(=O)N(C)C)c3)nn(CN3C[C@H](C)O[C@@H](C)C3)c2=S)c1	ZINC000013526883	553469349	/nfs/dbraw/zinc/46/93/49/553469349.db2.gz	KSMPBUDZNGGQRX-ROUUACIJSA-N	0	0	517.677	3.396	50	0		KGAARN
COc1cccc(-n2c(-c3cccc(S(=O)(=O)N(C)C)c3)nn(CN3C[C@@H](C)O[C@H](C)C3)c2=S)c1	ZINC000013526887	553469294	/nfs/dbraw/zinc/46/92/94/553469294.db2.gz	KSMPBUDZNGGQRX-QZTJIDSGSA-N	0	0	517.677	3.396	50	0		KGAARN
COc1cccc(-n2c(-c3cccc(S(=O)(=O)N(C)C)c3)nn(CN3C[C@@H](C)O[C@@H](C)C3)c2=S)c1	ZINC000013526891	553469337	/nfs/dbraw/zinc/46/93/37/553469337.db2.gz	KSMPBUDZNGGQRX-HDICACEKSA-N	0	0	517.677	3.396	50	0		KGAARN
CCCCn1c(N)c(N(CC(C)C)C(=O)CSc2nnc(NCc3ccccc3)s2)c(=O)[nH]c1=O	ZINC000013527258	553469317	/nfs/dbraw/zinc/46/93/17/553469317.db2.gz	HYNPOTJAWUFRCO-UHFFFAOYSA-N	0	0	517.681	3.164	50	0		KGAARN
CN(CC(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1)S(=O)(=O)c1ccc2ccccc2c1	ZINC000013527585	553469332	/nfs/dbraw/zinc/46/93/32/553469332.db2.gz	MIWOCJLSVSLAKA-UHFFFAOYSA-N	0	0	501.630	3.274	50	0		KGAARN
CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)c2ccc(S(=O)(=O)NCc3ccco3)cc2)c1	ZINC000013527860	553469492	/nfs/dbraw/zinc/46/94/92/553469492.db2.gz	AFGHLLGXMLMOQN-UHFFFAOYSA-N	0	0	521.617	3.050	50	0		KGAARN
O=C1NC(=O)[C@@]2(Cc3c(=O)n4ccccc4nc3N3CCc4ccccc4[C@@H]32)C(=O)N1Cc1ccccc1	ZINC000013541490	553469726	/nfs/dbraw/zinc/46/97/26/553469726.db2.gz	KEBJFDRNPVYDHT-BTYSJIOQSA-N	0	0	505.534	3.460	50	0		KGAARN
CCCCCCN1C(=O)NC(=O)[C@@]2(Cc3c(=O)n4cccc(C)c4nc3N3CCc4ccccc4[C@@H]32)C1=O	ZINC000013554567	553471104	/nfs/dbraw/zinc/47/11/04/553471104.db2.gz	TXZDDRHJALNORG-MNNSJKJDSA-N	0	0	513.598	3.308	50	0		KGAARN
CCCCCCN1C(=O)NC(=O)[C@]2(Cc3c(=O)n4cccc(C)c4nc3N3CCc4ccccc4[C@@H]32)C1=O	ZINC000013554569	553471170	/nfs/dbraw/zinc/47/11/70/553471170.db2.gz	TXZDDRHJALNORG-KPURRNSFSA-N	0	0	513.598	3.308	50	0		KGAARN
C[C@@H]1CCc2c(sc(NC(=O)CSC(=S)N3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)c2C(N)=O)C1	ZINC000013573122	553474240	/nfs/dbraw/zinc/47/42/40/553474240.db2.gz	XJDWQKXZHUNREK-KFWWJZLASA-N	0	0	516.714	3.209	50	0		KGAARN
C[C@H]1CCc2c(sc(NC(=O)CSC(=S)N3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)c2C(N)=O)C1	ZINC000013573130	553474530	/nfs/dbraw/zinc/47/45/30/553474530.db2.gz	XJDWQKXZHUNREK-ZNMIVQPWSA-N	0	0	516.714	3.209	50	0		KGAARN
O=C(NC[C@@H]1CCCO1)/C(=C/c1ccc(SC(=S)N2CCOCC2)o1)NC(=O)c1ccccc1	ZINC000013575025	553474620	/nfs/dbraw/zinc/47/46/20/553474620.db2.gz	HLKJLXQDBCWZQU-RVPSJEOCSA-N	0	0	501.630	3.055	50	0		KGAARN
O=C(NC[C@H]1CCCO1)/C(=C/c1ccc(SC(=S)N2CCOCC2)o1)NC(=O)c1ccccc1	ZINC000013575030	553474661	/nfs/dbraw/zinc/47/46/61/553474661.db2.gz	HLKJLXQDBCWZQU-GCFJHJGGSA-N	0	0	501.630	3.055	50	0		KGAARN
Nc1cccc(S[C@H]2CC(=O)N(c3ccc(C(=O)OCC(=O)c4ccc5c(c4)OCO5)cc3)C2=O)c1	ZINC000013576302	553475050	/nfs/dbraw/zinc/47/50/50/553475050.db2.gz	OIKDEDVILHBDFD-QHCPKHFHSA-N	0	0	504.520	3.461	50	0		KGAARN
COc1ccc(OC)c(-c2ccc(=O)n(CCNC(=O)COc3ccc(C(=O)c4ccccc4)cc3)n2)c1	ZINC000013602113	553477409	/nfs/dbraw/zinc/47/74/09/553477409.db2.gz	WBYUBORUSJFPMH-UHFFFAOYSA-N	0	0	513.550	3.354	50	0		KGAARN
COC(=O)CN1C(=O)[C@H]2[C@@H](C1=O)C1(Br)c3ccccc3C2(Br)c2ccccc21	ZINC000013603033	553477435	/nfs/dbraw/zinc/47/74/35/553477435.db2.gz	QTQVIERYYHKCCU-AGXSTUJCSA-N	0	0	505.162	3.065	50	0		KGAARN
COc1ccc(/C=C2\SC(=O)N(CC(=O)Nc3sc4c(c3C(N)=O)CCCC4)C2=O)cc1OC	ZINC000013614539	553478007	/nfs/dbraw/zinc/47/80/07/553478007.db2.gz	ZSJCVLHBRIMFRH-YVLHZVERSA-N	0	0	501.586	3.418	50	0		KGAARN
Cc1ccc(NC(=O)[C@H]2CN(S(=O)(=O)c3ccccc3)CCN2S(=O)(=O)c2ccccc2)c(C)c1	ZINC000013614688	553478026	/nfs/dbraw/zinc/47/80/26/553478026.db2.gz	UJWZQHYEBRIUTE-XMMPIXPASA-N	0	0	513.641	3.006	50	0		KGAARN
COc1cc(/C=C(\NC(=O)c2ccccc2)C(=O)N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc(OC)c1OC	ZINC000013635147	553478908	/nfs/dbraw/zinc/47/89/08/553478908.db2.gz	REWCTXKXJSWOHT-JPOAZBJWSA-N	0	0	529.593	3.291	50	0	biogenic	KGAARN
CCN1c2ccccc2/C(=c2/sc3n(c2=O)[C@@H](c2cccs2)C(C(=O)OCC(C)C)=C(C)N=3)C1=O	ZINC000013646503	553479859	/nfs/dbraw/zinc/47/98/59/553479859.db2.gz	UXYUDQKELRITAE-AGGMBTAESA-N	0	0	507.637	3.233	50	0		KGAARN
COc1ccc(CN2c3ccc(S(=O)(=O)N4CCC[C@H]4COc4cccnc4)cc3C(=O)C2=O)cc1	ZINC000013676501	553482792	/nfs/dbraw/zinc/48/27/92/553482792.db2.gz	XDHJBIYJRNFDKS-IBGZPJMESA-N	0	0	507.568	3.052	50	0		KGAARN
NC(=O)C1CCN(c2oc(-c3cccc(Cl)c3)nc2S(=O)(=O)c2ccc3c(c2)OCCO3)CC1	ZINC000013689438	553485655	/nfs/dbraw/zinc/48/56/55/553485655.db2.gz	DUDGPWJFHCSKSU-UHFFFAOYSA-N	0	0	503.964	3.301	50	0		KGAARN
O=S(=O)(c1nc(-c2ccccc2F)oc1NCCCN1CCOCC1)c1ccc2c(c1)OCCO2	ZINC000013690135	553485642	/nfs/dbraw/zinc/48/56/42/553485642.db2.gz	TWBFSMHTICSIJE-UHFFFAOYSA-N	0	0	503.552	3.219	50	0		KGAARN
COc1cccc(-c2nc(S(=O)(=O)c3ccc4c(c3)OCCO4)c(NCCCN3CCOCC3)o2)c1	ZINC000013690555	553486015	/nfs/dbraw/zinc/48/60/15/553486015.db2.gz	ALWMAKUVEZIPMA-UHFFFAOYSA-N	0	0	515.588	3.088	50	0		KGAARN
NC(=O)C1CCN(c2oc(-c3ccc(Cl)cc3)nc2S(=O)(=O)c2ccc3c(c2)OCCO3)CC1	ZINC000013692023	553486009	/nfs/dbraw/zinc/48/60/09/553486009.db2.gz	NOPNDQOAEZFVKF-UHFFFAOYSA-N	0	0	503.964	3.301	50	0		KGAARN
COc1ccc(-c2nc(S(=O)(=O)c3ccc4c(c3)OCCO4)c(NCCCN3CCOCC3)o2)cc1	ZINC000013692659	553485937	/nfs/dbraw/zinc/48/59/37/553485937.db2.gz	RNBIDJIRVNFOFO-UHFFFAOYSA-N	0	0	515.588	3.088	50	0		KGAARN
O=S(=O)(c1nc(-c2cccc(Cl)c2)oc1NCCN1CCOCC1)c1ccc2c(c1)OCCO2	ZINC000013721440	553486624	/nfs/dbraw/zinc/48/66/24/553486624.db2.gz	OMWAMSLJLJOKMW-UHFFFAOYSA-N	0	0	505.980	3.343	50	0		KGAARN
COc1ccccc1-c1nc(S(=O)(=O)c2ccc3c(c2)OCCO3)c(NCCCN2CCOCC2)o1	ZINC000013724411	553486880	/nfs/dbraw/zinc/48/68/80/553486880.db2.gz	IKEULKVFOUDNDD-UHFFFAOYSA-N	0	0	515.588	3.088	50	0		KGAARN
O=S(=O)(c1nc(-c2ccccc2Cl)oc1NCCN1CCOCC1)c1ccc2c(c1)OCCO2	ZINC000013726961	553486927	/nfs/dbraw/zinc/48/69/27/553486927.db2.gz	OWRIEPCEHBHOKY-UHFFFAOYSA-N	0	0	505.980	3.343	50	0		KGAARN
O=C(Nc1nccs1)[C@H](Cc1ccccc1)NC(=O)N1CCN(C(=O)c2c[nH]c3ccccc23)CC1	ZINC000013727907	553487119	/nfs/dbraw/zinc/48/71/19/553487119.db2.gz	OALKABJCVDUUCZ-QFIPXVFZSA-N	0	0	502.600	3.342	50	0		KGAARN
COc1cc(/C=c2\sc3nc(=O)c(Cc4ccc(F)cc4)nn3c2=O)ccc1OCc1ccccc1	ZINC000013748163	553487579	/nfs/dbraw/zinc/48/75/79/553487579.db2.gz	BBVKHMYGKIIHKR-IWIPYMOSSA-N	0	0	501.539	3.376	50	0		KGAARN
Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCC[C@H]3C(=O)NCc3ccccc3Cl)CC2)cc1	ZINC000013751858	553488050	/nfs/dbraw/zinc/48/80/50/553488050.db2.gz	KIZMSSLPKSPYIT-QHCPKHFHSA-N	0	0	504.052	3.357	50	0		KGAARN
Cc1ccc(S(=O)(=O)Oc2ccc(/C=C(\NC(=O)c3ccccc3)C(=O)N3CCOCC3)cc2)cc1	ZINC000013756647	553488305	/nfs/dbraw/zinc/48/83/05/553488305.db2.gz	YTDCTZPULGDJFM-PLRJNAJWSA-N	0	0	506.580	3.392	50	0		KGAARN
COc1ccc(Br)cc1/C=c1\sc2nc(-c3cc(OC)c(OC)c(OC)c3)nn2c1=O	ZINC000013757625	553488569	/nfs/dbraw/zinc/48/85/69/553488569.db2.gz	NKYKFZBRKZCMPR-YVLHZVERSA-N	0	0	504.362	3.163	50	0		KGAARN
CC1(C)Cc2c3c(nc(N4CCOCC4)c2CS1)sc1c3ncnc1NCCN1CCOCC1	ZINC000013757721	553488578	/nfs/dbraw/zinc/48/85/78/553488578.db2.gz	YXYYGWBPNUCETP-UHFFFAOYSA-N	0	0	500.694	3.388	50	0		KGAARN
CSc1nc2c(sc3nc(N4CCOCC4)c4c(c32)CC(C)(C)OC4)c(NCCN2CCOCC2)n1	ZINC000013758826	553488529	/nfs/dbraw/zinc/48/85/29/553488529.db2.gz	BWICOUAZLLNXEU-UHFFFAOYSA-N	0	0	530.720	3.393	50	0		KGAARN
CCCN1c2ccccc2/C(=c2\sc3n(c2=O)[C@H](c2ccc(Cl)cc2)C(C(=O)OC)=C(C)N=3)C1=O	ZINC000013773748	553489573	/nfs/dbraw/zinc/48/95/73/553489573.db2.gz	BAEDZLNPJPRFGO-JBCNATCCSA-N	0	0	507.999	3.188	50	0		KGAARN
CCCN1c2ccccc2/C(=c2\sc3n(c2=O)[C@@H](c2ccc(Cl)cc2)C(C(=O)OC)=C(C)N=3)C1=O	ZINC000013773750	553489541	/nfs/dbraw/zinc/48/95/41/553489541.db2.gz	BAEDZLNPJPRFGO-MRJHHRETSA-N	0	0	507.999	3.188	50	0		KGAARN
C[C@@H]1CCc2c(sc(NC(=O)c3cc4ccccc4oc3=O)c2C(=O)N[C@@H]2CCS(=O)(=O)C2)C1	ZINC000013777224	553490177	/nfs/dbraw/zinc/49/01/77/553490177.db2.gz	BDTNUETXZNGJHY-UKRRQHHQSA-N	0	0	500.598	3.149	50	0		KGAARN
C[C@@H]1CCc2c(sc(NC(=O)c3cc4ccccc4oc3=O)c2C(=O)N[C@H]2CCS(=O)(=O)C2)C1	ZINC000013777226	553490162	/nfs/dbraw/zinc/49/01/62/553490162.db2.gz	BDTNUETXZNGJHY-HIFRSBDPSA-N	0	0	500.598	3.149	50	0		KGAARN
C[C@H]1CCc2c(sc(NC(=O)c3cc4ccccc4oc3=O)c2C(=O)N[C@H]2CCS(=O)(=O)C2)C1	ZINC000013777228	553490168	/nfs/dbraw/zinc/49/01/68/553490168.db2.gz	BDTNUETXZNGJHY-ZFWWWQNUSA-N	0	0	500.598	3.149	50	0		KGAARN
CSc1nc2c(sc3nc(N4CCOCC4)c4c(c32)CC(C)(C)OC4)c(N(C[C@@H](C)O)C[C@H](C)O)n1	ZINC000013778371	553490204	/nfs/dbraw/zinc/49/02/04/553490204.db2.gz	YDNLICYBAKGKQJ-GASCZTMLSA-N	0	0	533.720	3.217	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCCCC4)o3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2	ZINC000013785802	553490600	/nfs/dbraw/zinc/49/06/00/553490600.db2.gz	YRLGGQGBRXSHAV-JRXNCPAPSA-N	0	0	521.595	3.110	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCCCC4)o3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2	ZINC000013785804	553490623	/nfs/dbraw/zinc/49/06/23/553490623.db2.gz	YRLGGQGBRXSHAV-ZBXXMNEPSA-N	0	0	521.595	3.110	50	0		KGAARN
CC(C)OCCCNc1ccc(-c2cn3c(nc4c3c(=O)n(C)c(=O)n4C)n2CCCOC(C)C)cc1	ZINC000013787475	553490729	/nfs/dbraw/zinc/49/07/29/553490729.db2.gz	RAGJVGSJEJQWGV-UHFFFAOYSA-N	0	0	510.639	3.396	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Br)o3)c(=O)n2[C@H]1c1ccccc1OC	ZINC000013809762	553492088	/nfs/dbraw/zinc/49/20/88/553492088.db2.gz	UJUQLCUDMBAJMT-SKTWIKFTSA-N	0	0	503.374	3.162	50	0		KGAARN
COc1ccc(NC(=O)Cn2cnc3ccc(S(=O)(=O)N4CCC(C)CC4)cc3c2=O)cc1Cl	ZINC000013828506	553492951	/nfs/dbraw/zinc/49/29/51/553492951.db2.gz	DRJZOKAKFNACJE-UHFFFAOYSA-N	0	0	504.996	3.118	50	0		KGAARN
CC1CCN(S(=O)(=O)c2ccc3ncn(CC(=O)Nc4ccccc4C(F)(F)F)c(=O)c3c2)CC1	ZINC000013828527	553492965	/nfs/dbraw/zinc/49/29/65/553492965.db2.gz	MGFGOJAFZQOFJE-UHFFFAOYSA-N	0	0	508.522	3.475	50	0		KGAARN
C[C@@H](OC(=O)c1ccc(NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1)C(=O)Nc1ccc(Cl)cc1	ZINC000013865711	553493553	/nfs/dbraw/zinc/49/35/53/553493553.db2.gz	BVVIMVGBGFOJQB-CYBMUJFWSA-N	0	0	514.947	3.494	50	0		KGAARN
C[C@H](OC(=O)c1ccc(NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1)C(=O)Nc1ccc(Cl)cc1	ZINC000013865713	553493595	/nfs/dbraw/zinc/49/35/95/553493595.db2.gz	BVVIMVGBGFOJQB-ZDUSSCGKSA-N	0	0	514.947	3.494	50	0		KGAARN
O=C(Nc1cccc(C(=O)NN2C(=O)c3ccccc3C2=O)c1)c1ccccc1I	ZINC000013881484	553493942	/nfs/dbraw/zinc/49/39/42/553493942.db2.gz	GHGVWQOJENIJCO-UHFFFAOYSA-N	0	0	511.275	3.485	50	0		KGAARN
COC(=O)c1ccc(C(=O)OC)c(NC(=O)c2ccc(N(C)S(=O)(=O)c3ccc(OC)cc3)cc2)c1	ZINC000013896515	553494827	/nfs/dbraw/zinc/49/48/27/553494827.db2.gz	INJMEVQYOOLFSA-UHFFFAOYSA-N	0	0	512.540	3.346	50	0		KGAARN
CCOC(=O)N1CCN(C(=O)CN(c2ccccc2OCC)S(=O)(=O)c2ccc(SC)cc2)CC1	ZINC000013896615	553494859	/nfs/dbraw/zinc/49/48/59/553494859.db2.gz	NALQIINWDYGGNT-UHFFFAOYSA-N	0	0	521.661	3.303	50	0		KGAARN
COC(=O)c1ccc(C(=O)OC)c(NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(F)cc2)c1	ZINC000013896687	553494848	/nfs/dbraw/zinc/49/48/48/553494848.db2.gz	BMGFLVUKGAQCQD-UHFFFAOYSA-N	0	0	500.504	3.233	50	0		KGAARN
CCOC(=O)c1c(C)c(C)sc1NC(=O)CSc1nnc(-c2ccn(C)n2)n1C[C@@H]1CCCO1	ZINC000013958125	553497484	/nfs/dbraw/zinc/49/74/84/553497484.db2.gz	YTYLAERGCZDXSV-HNNXBMFYSA-N	0	0	504.638	3.443	50	0		KGAARN
CCOC(=O)c1c(C)c(C)sc1NC(=O)CSc1nnc(-c2ccn(C)n2)n1C[C@H]1CCCO1	ZINC000013958128	553497497	/nfs/dbraw/zinc/49/74/97/553497497.db2.gz	YTYLAERGCZDXSV-OAHLLOKOSA-N	0	0	504.638	3.443	50	0		KGAARN
CCOC(=O)c1c(C)c(C)sc1NC(=O)CSC1=N/C(=C/c2cnn(C)c2)C(=O)N1CCCOC	ZINC000013959455	553497709	/nfs/dbraw/zinc/49/77/09/553497709.db2.gz	OTSVSQIATXJJTJ-LICLKQGHSA-N	0	0	519.649	3.223	50	0		KGAARN
COC(=O)C1=C(C)N=c2s/c(=C/c3cccc(Oc4ccccc4)c3)c(=O)n2[C@@H]1c1cnn(C)c1C	ZINC000013959678	553497903	/nfs/dbraw/zinc/49/79/03/553497903.db2.gz	QVOSYIJMVQJXFW-MGSPXPDISA-N	0	0	500.580	3.242	50	0		KGAARN
COC(=O)C1=C(C)N=c2s/c(=C/c3cccc(Oc4ccccc4)c3)c(=O)n2[C@H]1c1cnn(C)c1C	ZINC000013959679	553497900	/nfs/dbraw/zinc/49/79/00/553497900.db2.gz	QVOSYIJMVQJXFW-XPCGLTFESA-N	0	0	500.580	3.242	50	0		KGAARN
COC(=O)C1=C(C)N=c2s/c(=C/c3cccc(Oc4ccccc4)c3)c(=O)n2[C@@H]1c1cn(C)nc1C	ZINC000013959755	553497939	/nfs/dbraw/zinc/49/79/39/553497939.db2.gz	QPPZWMMASTYQCT-MGSPXPDISA-N	0	0	500.580	3.242	50	0		KGAARN
COC(=O)C1=C(C)N=c2s/c(=C/c3cccc(Oc4ccccc4)c3)c(=O)n2[C@H]1c1cn(C)nc1C	ZINC000013959756	553497934	/nfs/dbraw/zinc/49/79/34/553497934.db2.gz	QPPZWMMASTYQCT-XPCGLTFESA-N	0	0	500.580	3.242	50	0		KGAARN
COc1ccccc1NC(=O)[C@@H]1[C@H](c2cn(C)nc2C)[C@H](C(=O)Nc2ccccc2OC)C(=O)C[C@]1(C)O	ZINC000013960844	553498507	/nfs/dbraw/zinc/49/85/07/553498507.db2.gz	FQWCBUUYKRAPEV-BCCVMWATSA-N	0	0	520.586	3.063	50	0		KGAARN
COc1ccccc1NC(=O)[C@@H]1[C@@H](c2cn(C)nc2C)[C@H](C(=O)Nc2ccccc2OC)C(=O)C[C@]1(C)O	ZINC000013960846	553498425	/nfs/dbraw/zinc/49/84/25/553498425.db2.gz	FQWCBUUYKRAPEV-GIBNYFNHSA-N	0	0	520.586	3.063	50	0		KGAARN
COc1ccccc1NC(=O)[C@@H]1[C@H](c2cnn(C)c2C)[C@H](C(=O)Nc2ccccc2OC)C(=O)C[C@]1(C)O	ZINC000013960848	553498481	/nfs/dbraw/zinc/49/84/81/553498481.db2.gz	SVTVASNUNNYOPG-BCCVMWATSA-N	0	0	520.586	3.063	50	0		KGAARN
COc1ccccc1NC(=O)[C@@H]1[C@@H](c2cnn(C)c2C)[C@H](C(=O)Nc2ccccc2OC)C(=O)C[C@]1(C)O	ZINC000013960850	553498471	/nfs/dbraw/zinc/49/84/71/553498471.db2.gz	SVTVASNUNNYOPG-GIBNYFNHSA-N	0	0	520.586	3.063	50	0		KGAARN
CCn1cc([C@H]2[C@@H](C(=O)Nc3ccccc3OC)[C@](C)(O)CC(=O)[C@H]2C(=O)Nc2ccccc2OC)cn1	ZINC000013960856	553498454	/nfs/dbraw/zinc/49/84/54/553498454.db2.gz	WYVAHOJFAYTTHL-YKKMPQLRSA-N	0	0	520.586	3.237	50	0		KGAARN
CC(C)[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)OCC(=O)c1ccc2c(c1)CCCN2S(C)(=O)=O	ZINC000013986212	553499057	/nfs/dbraw/zinc/49/90/57/553499057.db2.gz	NKASFRDRJDMEIB-GCLMJIJYSA-N	0	0	530.687	3.482	50	0		KGAARN
CC(C)[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)OCC(=O)c1ccc2c(c1)CCCN2S(C)(=O)=O	ZINC000013986217	553498949	/nfs/dbraw/zinc/49/89/49/553498949.db2.gz	NKASFRDRJDMEIB-CZILXDHESA-N	0	0	530.687	3.482	50	0		KGAARN
COc1ccc(S(=O)(=O)N(CC(=O)N2CCN(Cc3ccccc3)CC2)Cc2ccccc2)cc1OC	ZINC000014010290	553499283	/nfs/dbraw/zinc/49/92/83/553499283.db2.gz	SHADWOCVPVTAEN-UHFFFAOYSA-N	0	0	523.655	3.239	50	0		KGAARN
CCOc1ccc(S(=O)(=O)NCCC(=O)Nc2ccc(C)c(S(=O)(=O)N3CCCCCC3)c2)cc1	ZINC000014070075	553499575	/nfs/dbraw/zinc/49/95/75/553499575.db2.gz	KHUBPUYVXVSWCX-UHFFFAOYSA-N	0	0	523.677	3.266	50	0		KGAARN
CCCCCOc1ccc(C(=O)CCC(=O)OCC(=O)NN2C(=O)NC3(CCC(C)CC3)C2=O)cc1	ZINC000014075565	553499841	/nfs/dbraw/zinc/49/98/41/553499841.db2.gz	NPXMZYFLIBDGKT-UHFFFAOYSA-N	0	0	501.580	3.294	50	0		KGAARN
Cc1cc(C(C)(C)C)cc(C)c1S(=O)(=O)N1CCN(C(=O)c2ccc(N3CCCS3(=O)=O)cc2)CC1	ZINC000014077456	553499850	/nfs/dbraw/zinc/49/98/50/553499850.db2.gz	YXLBPRQQMPZCDL-UHFFFAOYSA-N	0	0	533.716	3.288	50	0		KGAARN
Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NC(=S)NCc1ccc(Cl)cc1Cl	ZINC000014077596	553499846	/nfs/dbraw/zinc/49/98/46/553499846.db2.gz	YTAVFMQTAJFWKY-UHFFFAOYSA-N	0	0	502.445	3.127	50	0		KGAARN
O=C(CN1C(=O)N(CC(=O)NCCc2cccs2)C2(CCCCCC2)C1=O)NCCc1cccs1	ZINC000014077698	553499842	/nfs/dbraw/zinc/49/98/42/553499842.db2.gz	XJZQHNIMWAIUBX-UHFFFAOYSA-N	0	0	516.689	3.184	50	0		KGAARN
O=C(c1ccc(-n2cccn2)cc1)N1CCN(S(=O)(=O)c2ccc(Br)cc2Cl)CC1	ZINC000014084513	553500139	/nfs/dbraw/zinc/50/01/39/553500139.db2.gz	GUSNHRIUBLVMML-UHFFFAOYSA-N	0	0	509.813	3.435	50	0		KGAARN
C[C@@]1(c2cccc3ccccc32)NC(=O)N(CC(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)C1=O	ZINC000014092849	553500491	/nfs/dbraw/zinc/50/04/91/553500491.db2.gz	VILBFKJXGBTTLK-SANMLTNESA-N	0	0	506.584	3.030	50	0		KGAARN
C[C@]1(c2cccc3ccccc32)NC(=O)N(CC(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)C1=O	ZINC000014092850	553500520	/nfs/dbraw/zinc/50/05/20/553500520.db2.gz	VILBFKJXGBTTLK-AREMUKBSSA-N	0	0	506.584	3.030	50	0		KGAARN
CCN(CC)C(=O)c1ccc(NC(=O)CN2C(=O)N[C@@](C)(c3ccccc3Br)C2=O)cc1	ZINC000014092851	553500475	/nfs/dbraw/zinc/50/04/75/553500475.db2.gz	LXOHJFGZQFGZAU-QHCPKHFHSA-N	0	0	501.381	3.337	50	0		KGAARN
CCN(CC)C(=O)c1ccc(NC(=O)CN2C(=O)N[C@](C)(c3ccccc3Br)C2=O)cc1	ZINC000014092852	553500480	/nfs/dbraw/zinc/50/04/80/553500480.db2.gz	LXOHJFGZQFGZAU-HSZRJFAPSA-N	0	0	501.381	3.337	50	0		KGAARN
CC(C)c1ccc([C@@]2(C)NC(=O)N(CC(=O)Nc3ccc(S(=O)(=O)N4CCCCC4)cc3)C2=O)cc1	ZINC000014094600	553500722	/nfs/dbraw/zinc/50/07/22/553500722.db2.gz	HHTQXRGYAAYWHM-AREMUKBSSA-N	0	0	512.632	3.390	50	0		KGAARN
CC(C)c1ccc([C@]2(C)NC(=O)N(CC(=O)Nc3ccc(S(=O)(=O)N4CCCCC4)cc3)C2=O)cc1	ZINC000014094601	553500786	/nfs/dbraw/zinc/50/07/86/553500786.db2.gz	HHTQXRGYAAYWHM-SANMLTNESA-N	0	0	512.632	3.390	50	0		KGAARN
CC[C@H](c1nnc(S[C@@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)n1Cc1ccccc1)N(C)C	ZINC000014094868	553500750	/nfs/dbraw/zinc/50/07/50/553500750.db2.gz	BDFLLAOUFLSRPB-OXJNMPFZSA-N	0	0	502.666	3.106	50	0		KGAARN
CC[C@@H](c1nnc(S[C@@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)n1Cc1ccccc1)N(C)C	ZINC000014094869	553500739	/nfs/dbraw/zinc/50/07/39/553500739.db2.gz	BDFLLAOUFLSRPB-JXFKEZNVSA-N	0	0	502.666	3.106	50	0		KGAARN
CC[C@H](c1nnc(S[C@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)n1Cc1ccccc1)N(C)C	ZINC000014094870	553500769	/nfs/dbraw/zinc/50/07/69/553500769.db2.gz	BDFLLAOUFLSRPB-OXQOHEQNSA-N	0	0	502.666	3.106	50	0		KGAARN
CC[C@@H](c1nnc(S[C@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)n1Cc1ccccc1)N(C)C	ZINC000014094871	553500730	/nfs/dbraw/zinc/50/07/30/553500730.db2.gz	BDFLLAOUFLSRPB-UZLBHIALSA-N	0	0	502.666	3.106	50	0		KGAARN
CCN(CC)C(=O)c1ccc(NC(=O)CN2C(=O)N[C@@](C)(c3ccc(Br)cc3)C2=O)cc1	ZINC000014110832	553500938	/nfs/dbraw/zinc/50/09/38/553500938.db2.gz	CFYJIPXTMXOLOS-QHCPKHFHSA-N	0	0	501.381	3.337	50	0		KGAARN
CCN(CC)C(=O)c1ccc(NC(=O)CN2C(=O)N[C@](C)(c3ccc(Br)cc3)C2=O)cc1	ZINC000014110835	553500850	/nfs/dbraw/zinc/50/08/50/553500850.db2.gz	CFYJIPXTMXOLOS-HSZRJFAPSA-N	0	0	501.381	3.337	50	0		KGAARN
COC(=O)c1cc(NC(=O)COC(=O)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc(C(=O)OC)c1	ZINC000014128641	553501234	/nfs/dbraw/zinc/50/12/34/553501234.db2.gz	HKWDGIHGJZFQGC-UHFFFAOYSA-N	0	0	523.464	3.072	50	0		KGAARN
CCOC(=O)c1sc(N(Cc2ccccc2)C(=O)COC(=O)[C@@H]2CS[C@@]3(C)CCC(=O)N23)nc1C	ZINC000014129589	553501485	/nfs/dbraw/zinc/50/14/85/553501485.db2.gz	MBJYAGUVTPNYAW-XDHUDOTRSA-N	0	0	517.629	3.159	50	0		KGAARN
CCOC(=O)c1sc(N(Cc2ccccc2)C(=O)COC(=O)[C@H]2CS[C@@]3(C)CCC(=O)N23)nc1C	ZINC000014129590	553501452	/nfs/dbraw/zinc/50/14/52/553501452.db2.gz	MBJYAGUVTPNYAW-OSPHWJPCSA-N	0	0	517.629	3.159	50	0		KGAARN
CCOC(=O)c1sc(N(Cc2ccccc2)C(=O)COC(=O)[C@@H]2CS[C@]3(C)CCC(=O)N23)nc1C	ZINC000014129591	553501506	/nfs/dbraw/zinc/50/15/06/553501506.db2.gz	MBJYAGUVTPNYAW-BXKMTCNYSA-N	0	0	517.629	3.159	50	0		KGAARN
CCOC(=O)c1sc(N(Cc2ccccc2)C(=O)COC(=O)[C@H]2CS[C@]3(C)CCC(=O)N23)nc1C	ZINC000014129592	553501488	/nfs/dbraw/zinc/50/14/88/553501488.db2.gz	MBJYAGUVTPNYAW-MZNJEOGPSA-N	0	0	517.629	3.159	50	0		KGAARN
CCOC(=O)c1sc(-c2ccc(F)cc2)cc1NC(=O)COC(=O)CN1C(=O)NC2(CCCC2)C1=O	ZINC000014129664	553501424	/nfs/dbraw/zinc/50/14/24/553501424.db2.gz	MBSQJNQXGTXYBW-UHFFFAOYSA-N	0	0	517.535	3.077	50	0		KGAARN
CCCC[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)Nc2ccc(S(=O)(=O)N(CC)CC)cc2)C1=O	ZINC000014134953	553502596	/nfs/dbraw/zinc/50/25/96/553502596.db2.gz	NAATWCPCVPYIPI-VWLOTQADSA-N	0	0	518.611	3.432	50	0		KGAARN
CCCC[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)Nc2ccc(S(=O)(=O)N(CC)CC)cc2)C1=O	ZINC000014134955	553502653	/nfs/dbraw/zinc/50/26/53/553502653.db2.gz	NAATWCPCVPYIPI-RUZDIDTESA-N	0	0	518.611	3.432	50	0		KGAARN
Cc1ccnn1-c1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(Br)c(C)c3)CC2)cc1	ZINC000014135913	553502878	/nfs/dbraw/zinc/50/28/78/553502878.db2.gz	RQWIIRLUMXUXFP-UHFFFAOYSA-N	0	0	503.422	3.398	50	0		KGAARN
C[C@H]1C(=O)N(CC(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)C(=O)N1c1ccc(Cl)cc1	ZINC000014137486	553502894	/nfs/dbraw/zinc/50/28/94/553502894.db2.gz	DYHBOMHKIHGDIV-INIZCTEOSA-N	0	0	504.996	3.310	50	0		KGAARN
C[C@@H]1C(=O)N(CC(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)C(=O)N1c1ccc(Cl)cc1	ZINC000014137488	553502907	/nfs/dbraw/zinc/50/29/07/553502907.db2.gz	DYHBOMHKIHGDIV-MRXNPFEDSA-N	0	0	504.996	3.310	50	0		KGAARN
CCN(CC)S(=O)(=O)c1ccc(NC(=O)CN2C(=O)N[C@@](C)(c3cccc4ccccc43)C2=O)cc1	ZINC000014138300	553502886	/nfs/dbraw/zinc/50/28/86/553502886.db2.gz	HTZKDZCYZUJJGR-SANMLTNESA-N	0	0	508.600	3.276	50	0		KGAARN
CCN(CC)S(=O)(=O)c1ccc(NC(=O)CN2C(=O)N[C@](C)(c3cccc4ccccc43)C2=O)cc1	ZINC000014138303	553502917	/nfs/dbraw/zinc/50/29/17/553502917.db2.gz	HTZKDZCYZUJJGR-AREMUKBSSA-N	0	0	508.600	3.276	50	0		KGAARN
O=C(COC(=O)c1cc(-c2ccco2)nc2ccccc21)Nc1cccc(S(=O)(=O)N2CCOCC2)c1	ZINC000014138454	553502846	/nfs/dbraw/zinc/50/28/46/553502846.db2.gz	LHRQMIPRLCARIB-UHFFFAOYSA-N	0	0	521.551	3.311	50	0		KGAARN
CCCOc1ccc(N2C(=O)C(=O)N(CC(=O)Nc3ccc(N4CCCC4=O)cc3)C2=O)cc1OCCC	ZINC000014162025	553505560	/nfs/dbraw/zinc/50/55/60/553505560.db2.gz	PEXGLSMVFFXPRJ-UHFFFAOYSA-N	0	0	522.558	3.325	50	0		KGAARN
CCN(CC)S(=O)(=O)c1ccc(NC(=O)CN2C(=O)N[C@@](C)(c3ccc(C(C)(C)C)cc3)C2=O)cc1	ZINC000014162284	553505581	/nfs/dbraw/zinc/50/55/81/553505581.db2.gz	GCYUSYDBNGURKH-SANMLTNESA-N	0	0	514.648	3.420	50	0		KGAARN
CCN(CC)S(=O)(=O)c1ccc(NC(=O)CN2C(=O)N[C@](C)(c3ccc(C(C)(C)C)cc3)C2=O)cc1	ZINC000014162287	553505584	/nfs/dbraw/zinc/50/55/84/553505584.db2.gz	GCYUSYDBNGURKH-AREMUKBSSA-N	0	0	514.648	3.420	50	0		KGAARN
CC(C)N(C)S(=O)(=O)c1ccc(NC(=O)CN2C(=O)N[C@@](C)(c3cccc4ccccc43)C2=O)cc1	ZINC000014163537	553505731	/nfs/dbraw/zinc/50/57/31/553505731.db2.gz	YDAPYSSKCIXXMD-SANMLTNESA-N	0	0	508.600	3.274	50	0		KGAARN
CC(C)N(C)S(=O)(=O)c1ccc(NC(=O)CN2C(=O)N[C@](C)(c3cccc4ccccc43)C2=O)cc1	ZINC000014163541	553505743	/nfs/dbraw/zinc/50/57/43/553505743.db2.gz	YDAPYSSKCIXXMD-AREMUKBSSA-N	0	0	508.600	3.274	50	0		KGAARN
COc1ccc(N(CC(=O)Nc2ccc(C(=O)N3CCOCC3)cc2)S(=O)(=O)c2ccccc2)cc1	ZINC000014165752	553505765	/nfs/dbraw/zinc/50/57/65/553505765.db2.gz	LHZRRDAEVYTLGY-UHFFFAOYSA-N	0	0	509.584	3.002	50	0		KGAARN
CCCC[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)Nc2ccc(S(=O)(=O)N(C)C(C)C)cc2)C1=O	ZINC000014167158	553505724	/nfs/dbraw/zinc/50/57/24/553505724.db2.gz	QDESFZIPWRSJBT-VWLOTQADSA-N	0	0	518.611	3.431	50	0		KGAARN
CCCC[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)Nc2ccc(S(=O)(=O)N(C)C(C)C)cc2)C1=O	ZINC000014167160	553505769	/nfs/dbraw/zinc/50/57/69/553505769.db2.gz	QDESFZIPWRSJBT-RUZDIDTESA-N	0	0	518.611	3.431	50	0		KGAARN
CC(C)(C)c1ccc([C@@]2(C)NC(=O)N(CC(=O)Nc3ccc(S(=O)(=O)N4CCCC4)cc3)C2=O)cc1	ZINC000014171928	553505952	/nfs/dbraw/zinc/50/59/52/553505952.db2.gz	DZSJKWOQVRJAKO-AREMUKBSSA-N	0	0	512.632	3.174	50	0		KGAARN
CC(C)(C)c1ccc([C@]2(C)NC(=O)N(CC(=O)Nc3ccc(S(=O)(=O)N4CCCC4)cc3)C2=O)cc1	ZINC000014171930	553505916	/nfs/dbraw/zinc/50/59/16/553505916.db2.gz	DZSJKWOQVRJAKO-SANMLTNESA-N	0	0	512.632	3.174	50	0		KGAARN
O=C(CCSCc1nc2sc3c(c2c(=O)[nH]1)CCC3)NC[C@H](c1ccc(F)cc1)N1CCOCC1	ZINC000014182730	553505954	/nfs/dbraw/zinc/50/59/54/553505954.db2.gz	HNMVXOQTINYLTC-LJQANCHMSA-N	0	0	516.664	3.425	50	0		KGAARN
O=C(CCSCc1nc2sc3c(c2c(=O)[nH]1)CCC3)NC[C@@H](c1ccc(F)cc1)N1CCOCC1	ZINC000014182733	553505943	/nfs/dbraw/zinc/50/59/43/553505943.db2.gz	HNMVXOQTINYLTC-IBGZPJMESA-N	0	0	516.664	3.425	50	0		KGAARN
C[C@@H]1Cc2cc(C(=O)CN3C(=O)NC(c4ccccc4)(c4ccccc4)C3=O)ccc2N1S(C)(=O)=O	ZINC000014183088	553505939	/nfs/dbraw/zinc/50/59/39/553505939.db2.gz	OMWTVONUXDYGDP-GOSISDBHSA-N	0	0	503.580	3.076	50	0		KGAARN
C[C@H]1Cc2cc(C(=O)CN3C(=O)NC(c4ccccc4)(c4ccccc4)C3=O)ccc2N1S(C)(=O)=O	ZINC000014183089	553505883	/nfs/dbraw/zinc/50/58/83/553505883.db2.gz	OMWTVONUXDYGDP-SFHVURJKSA-N	0	0	503.580	3.076	50	0		KGAARN
COc1cccc(N(CC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)S(=O)(=O)c2ccccc2)c1	ZINC000014186011	553506079	/nfs/dbraw/zinc/50/60/79/553506079.db2.gz	JSZUOYGULZEMPE-UHFFFAOYSA-N	0	0	506.584	3.327	50	0		KGAARN
CN(C1CCCCC1)S(=O)(=O)c1ccc(NC(=O)CN2C(=O)N[C@@]3(CCCc4ccccc43)C2=O)cc1	ZINC000014189530	553506124	/nfs/dbraw/zinc/50/61/24/553506124.db2.gz	YMFBPPBSWXAKED-HHHXNRCGSA-N	0	0	524.643	3.362	50	0		KGAARN
CN(C1CCCCC1)S(=O)(=O)c1ccc(NC(=O)CN2C(=O)N[C@]3(CCCc4ccccc43)C2=O)cc1	ZINC000014189533	553506092	/nfs/dbraw/zinc/50/60/92/553506092.db2.gz	YMFBPPBSWXAKED-MHZLTWQESA-N	0	0	524.643	3.362	50	0		KGAARN
CC(C)(C)C(=O)COC(=O)c1ccccc1C(=O)N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1	ZINC000014200599	553506367	/nfs/dbraw/zinc/50/63/67/553506367.db2.gz	KDMROYQSSVAAEB-UHFFFAOYSA-N	0	0	507.008	3.259	50	0		KGAARN
Cc1cccc(NC(=O)CN2CCN(C(=O)CSCc3nc4sc5c(c4c(=O)[nH]3)CCC5)CC2)c1C	ZINC000014246549	553506440	/nfs/dbraw/zinc/50/64/40/553506440.db2.gz	KZDRKFZPAPBFFG-UHFFFAOYSA-N	0	0	525.700	3.106	50	0		KGAARN
CCc1cccc(C)c1NC(=O)COC(=O)CCCCCNS(=O)(=O)c1ccc2c(c1)OCCO2	ZINC000014357141	553512153	/nfs/dbraw/zinc/51/21/53/553512153.db2.gz	OISYQNPSOJRBHL-UHFFFAOYSA-N	0	0	504.605	3.349	50	0		KGAARN
COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)O[C@H](C)C(=O)Nc1ccc2c(c1)OCCO2	ZINC000014357495	553512495	/nfs/dbraw/zinc/51/24/95/553512495.db2.gz	RAEXEIPUCFYPGR-QGZVFWFLSA-N	0	0	518.588	3.215	50	0		KGAARN
O=C(COC(=O)c1ccccc1OCC(=O)Nc1cccc(C(F)(F)F)c1)NCCCN1CCCC1=O	ZINC000014357674	553512491	/nfs/dbraw/zinc/51/24/91/553512491.db2.gz	KLENFAPOHNAVGD-UHFFFAOYSA-N	0	0	521.492	3.008	50	0		KGAARN
CCc1ccc(C(=O)COC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCCCC2)cc1	ZINC000014357899	553512678	/nfs/dbraw/zinc/51/26/78/553512678.db2.gz	FMLSCNQKRLVSLG-UHFFFAOYSA-N	0	0	500.617	3.300	50	0		KGAARN
CC(C)N(C(=O)COC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1)c1ccccc1	ZINC000014358187	553512807	/nfs/dbraw/zinc/51/28/07/553512807.db2.gz	CWADZQCEOGHIHO-UHFFFAOYSA-N	0	0	529.659	3.296	50	0		KGAARN
CCOC(=O)c1c(C)[nH]c(C)c1C(=O)COC(=O)c1cc(S(=O)(=O)N(CC)CC)ccc1N1CCCC1	ZINC000014358342	553512878	/nfs/dbraw/zinc/51/28/78/553512878.db2.gz	XEBJZQWWVAYTDK-UHFFFAOYSA-N	0	0	533.647	3.479	50	0		KGAARN
O=C(Nc1ccc(N2CCCC2)c(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c1)C1=NNC(=O)CC1	ZINC000014358372	553512966	/nfs/dbraw/zinc/51/29/66/553512966.db2.gz	DIVRSQDYGRILTQ-UHFFFAOYSA-N	0	0	509.510	3.311	50	0		KGAARN
COc1ccc(NC(=O)CCS(=O)(=O)c2ccc(Cl)cc2)cc1S(=O)(=O)N1CCCCC1	ZINC000014358422	553512945	/nfs/dbraw/zinc/51/29/45/553512945.db2.gz	HNSPMOKSELGUFW-UHFFFAOYSA-N	0	0	501.026	3.326	50	0		KGAARN
CCOc1ccc(S(=O)(=O)NCCC(=O)Nc2cc(OCC)c(N3CCOCC3)cc2OCC)cc1	ZINC000014358440	553512987	/nfs/dbraw/zinc/51/29/87/553512987.db2.gz	HXXLQXWCESFDSO-UHFFFAOYSA-N	0	0	521.636	3.026	50	0		KGAARN
COc1ccc(C(=O)OCC(=O)c2ccc[nH]2)cc1S(=O)(=O)N1CCN(c2cccc(Cl)c2)CC1	ZINC000014358460	553512948	/nfs/dbraw/zinc/51/29/48/553512948.db2.gz	MYEFCAPNUPPBOH-UHFFFAOYSA-N	0	0	517.991	3.227	50	0		KGAARN
Cc1ccc(S(=O)(=O)NCC(=O)NCC(=O)OCC(=O)c2ccc(C3CCCCC3)cc2)cc1C	ZINC000014358485	553512981	/nfs/dbraw/zinc/51/29/81/553512981.db2.gz	LKIVGIDDWYOTAH-UHFFFAOYSA-N	0	0	500.617	3.172	50	0		KGAARN
CCCCNc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)c1ccc(S(=O)(=O)N(C)C)cc1	ZINC000014358543	553512963	/nfs/dbraw/zinc/51/29/63/553512963.db2.gz	MWMKRGXQHRNITK-UHFFFAOYSA-N	0	0	510.682	3.432	50	0		KGAARN
CSCC[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)OCC(=O)Nc1sccc1C(N)=O	ZINC000014359309	553513361	/nfs/dbraw/zinc/51/33/61/553513361.db2.gz	GOKZOPYQHWYAIQ-CQSZACIVSA-N	0	0	504.417	3.187	50	0		KGAARN
CSCC[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)OCC(=O)Nc1sccc1C(N)=O	ZINC000014359311	553513345	/nfs/dbraw/zinc/51/33/45/553513345.db2.gz	GOKZOPYQHWYAIQ-AWEZNQCLSA-N	0	0	504.417	3.187	50	0		KGAARN
CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)OCC(=O)c3ccc4c(c3)-c3ccccc3C4)c2)CC1	ZINC000014359509	553513447	/nfs/dbraw/zinc/51/34/47/553513447.db2.gz	XQRUZLLISWIJHR-UHFFFAOYSA-N	0	0	518.591	3.150	50	0		KGAARN
COc1ccccc1N(CC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1C)S(=O)(=O)c1cccs1	ZINC000014359677	553513594	/nfs/dbraw/zinc/51/35/94/553513594.db2.gz	GEZDSLORTXKAFR-UHFFFAOYSA-N	0	0	523.658	3.149	50	0		KGAARN
Cc1cc(C)n(-c2ccc(C(=O)Nc3cc(S(=O)(=O)N4CCOCC4)ccc3N3CCCC3)cc2)n1	ZINC000014360255	553513791	/nfs/dbraw/zinc/51/37/91/553513791.db2.gz	YQFRBJDAJHHADJ-UHFFFAOYSA-N	0	0	509.632	3.363	50	0		KGAARN
CCCCNS(=O)(=O)c1ccc2[nH]c(SCC(=O)Nc3ccc(N4CCOCC4)cc3)nc2c1	ZINC000014360408	553513989	/nfs/dbraw/zinc/51/39/89/553513989.db2.gz	NWLXDWBMLQPOIT-UHFFFAOYSA-N	0	0	503.650	3.209	50	0		KGAARN
CC1(C)NC(=O)N(CC(=O)Nc2cc(S(=O)(=O)Nc3ccc(Cl)cc3)ccc2N2CCCC2)C1=O	ZINC000014360544	553514192	/nfs/dbraw/zinc/51/41/92/553514192.db2.gz	KKFOUSTXEHQOEO-UHFFFAOYSA-N	0	0	520.011	3.010	50	0		KGAARN
Cc1ccc(NC(=O)COC(=O)c2ccccc2C(=O)c2ccccc2)cc1S(=O)(=O)N1CCOCC1	ZINC000014361329	553514466	/nfs/dbraw/zinc/51/44/66/553514466.db2.gz	BDRRJJPUWYBZFR-UHFFFAOYSA-N	0	0	522.579	3.042	50	0		KGAARN
O=C(NCc1ccccn1)c1cc(NCc2ccc3nsnc3c2)cc(S(=O)(=O)N2CCCC2)c1	ZINC000014530687	1060019211	/nfs/dbraw/zinc/01/92/11/1060019211.db2.gz	OCEMSYVAXBFCLJ-UHFFFAOYSA-N	0	0	508.629	3.413	50	0		KGAARN
COc1cc(CNc2cc(C(=O)NCCNC(C)=O)cc(S(=O)(=O)Nc3ccccc3C)c2)ccc1F	ZINC000014530906	553517425	/nfs/dbraw/zinc/51/74/25/553517425.db2.gz	OOOFNJYZZQNDPJ-UHFFFAOYSA-N	0	0	528.606	3.422	50	0		KGAARN
COCCn1c2ncc(NC3CCN(C(C)=O)CC3)cc2c(NC(=O)CCc2ccccc2)c1C(=O)OC	ZINC000014533498	553517831	/nfs/dbraw/zinc/51/78/31/553517831.db2.gz	KPFUCUZVLKOPBA-UHFFFAOYSA-N	0	0	521.618	3.463	50	0		KGAARN
CC(C)NS(=O)(=O)c1cc(NCc2ccc3c(c2)OCO3)cc(C(=O)NCc2cn3ccccc3n2)c1	ZINC000014533804	1060019234	/nfs/dbraw/zinc/01/92/34/1060019234.db2.gz	YOMREVCSPXUCHV-UHFFFAOYSA-N	0	0	521.599	3.292	50	0		KGAARN
COc1cccc(CO[C@@H]2CN(CCc3ccccc3)C(=O)CN(C(=O)CSc3nnc(C)s3)C2)c1	ZINC000014534383	553517782	/nfs/dbraw/zinc/51/77/82/553517782.db2.gz	NTUYQDXECJFOLB-HSZRJFAPSA-N	0	0	526.684	3.446	50	0		KGAARN
COc1cccc(CO[C@H]2CN(CCc3ccccc3)C(=O)CN(C(=O)CSc3nnc(C)s3)C2)c1	ZINC000014534384	553517818	/nfs/dbraw/zinc/51/78/18/553517818.db2.gz	NTUYQDXECJFOLB-QHCPKHFHSA-N	0	0	526.684	3.446	50	0		KGAARN
COCCCN1C(=O)N(Cc2ccc(OC)cc2)C(=O)C12CCN(Cc1nc3ccccc3n1C)CC2	ZINC000014534929	553517833	/nfs/dbraw/zinc/51/78/33/553517833.db2.gz	DQKGBCVBCRYXRO-UHFFFAOYSA-N	0	0	505.619	3.417	50	0		KGAARN
COC(=O)c1c(NC(C)=O)c2cc(NC3CCN(C(C)=O)CC3)cnc2n1CCc1ccc(OC)cc1	ZINC000014535576	553517788	/nfs/dbraw/zinc/51/77/88/553517788.db2.gz	NKVYRUJWMARCJL-UHFFFAOYSA-N	0	0	507.591	3.455	50	0		KGAARN
COCCn1c2ncc(NC3CCN(C(C)=O)CC3)cc2c(NC(=O)Cc2ccccc2)c1C(=O)OC	ZINC000014535667	553518141	/nfs/dbraw/zinc/51/81/41/553518141.db2.gz	GSCSNOQFBUNTJQ-UHFFFAOYSA-N	0	0	507.591	3.073	50	0		KGAARN
CC(=O)NCCNC(=O)c1cc(NCc2ccc3c(c2)CCO3)cc(S(=O)(=O)Nc2ccccc2C)c1	ZINC000014536151	1060019303	/nfs/dbraw/zinc/01/93/03/1060019303.db2.gz	WYNLYCVQMCRXFU-UHFFFAOYSA-N	0	0	522.627	3.209	50	0		KGAARN
COc1cccc(CN2C[C@@H](OCC3CC3)CN(Cc3c(C)n(C)n(-c4ccccc4)c3=O)CC2=O)c1	ZINC000014537709	553518113	/nfs/dbraw/zinc/51/81/13/553518113.db2.gz	PCLOCXFSIFGUTJ-SANMLTNESA-N	0	0	504.631	3.133	50	0		KGAARN
COc1cccc(CN2C[C@H](OCC3CC3)CN(Cc3c(C)n(C)n(-c4ccccc4)c3=O)CC2=O)c1	ZINC000014537710	553518142	/nfs/dbraw/zinc/51/81/42/553518142.db2.gz	PCLOCXFSIFGUTJ-AREMUKBSSA-N	0	0	504.631	3.133	50	0		KGAARN
COC(=O)CN1C(=O)N(CCc2ccc(OC)cc2)C2(CCN(Cc3nc4ccccc4s3)CC2)C1=O	ZINC000014538514	553518207	/nfs/dbraw/zinc/51/82/07/553518207.db2.gz	YIPPTHMBOKPWQO-UHFFFAOYSA-N	0	0	522.627	3.319	50	0		KGAARN
CN(C)S(=O)(=O)c1cc(NCc2ccc3c(c2)OCCO3)cc(C(=O)N(C)Cc2nccs2)c1	ZINC000014540523	1060019352	/nfs/dbraw/zinc/01/93/52/1060019352.db2.gz	RWTIDDCWFYCCLK-UHFFFAOYSA-N	0	0	502.618	3.049	50	0		KGAARN
Cc1nn(CC(=O)N2CC(=O)N(C3CCCCC3)C[C@H](OCc3ccccc3)C2)c(=O)c2ccccc12	ZINC000014540898	553518535	/nfs/dbraw/zinc/51/85/35/553518535.db2.gz	WDZYJWJNLVJKPW-XMMPIXPASA-N	0	0	502.615	3.294	50	0		KGAARN
Cc1nn(CC(=O)N2CC(=O)N(C3CCCCC3)C[C@@H](OCc3ccccc3)C2)c(=O)c2ccccc12	ZINC000014540899	553518542	/nfs/dbraw/zinc/51/85/42/553518542.db2.gz	WDZYJWJNLVJKPW-DEOSSOPVSA-N	0	0	502.615	3.294	50	0		KGAARN
CC(=O)NCCNC(=O)c1cc(NCc2cccc(-c3ccccc3C)c2)cc(S(=O)(=O)N(C)C)c1	ZINC000014540933	1060019380	/nfs/dbraw/zinc/01/93/80/1060019380.db2.gz	QEUULBKEZFLKAC-UHFFFAOYSA-N	0	0	508.644	3.390	50	0		KGAARN
CCN(CC)C(=O)CO[C@@H]1CN(C/C=C/c2ccc(O)c(OC)c2)CC(=O)N(CCc2ccccc2)C1	ZINC000014541985	1060019436	/nfs/dbraw/zinc/01/94/36/1060019436.db2.gz	CGKUFENKIAADRN-QXJBOHEXSA-N	0	0	509.647	3.055	50	0		KGAARN
CCN(CC)C(=O)CO[C@H]1CN(C/C=C/c2ccc(O)c(OC)c2)CC(=O)N(CCc2ccccc2)C1	ZINC000014541986	1060019777	/nfs/dbraw/zinc/01/97/77/1060019777.db2.gz	CGKUFENKIAADRN-OPATVPMHSA-N	0	0	509.647	3.055	50	0		KGAARN
COCCN1C(=O)N(CCc2ccc(OC)cc2)C2(CCN(Cc3nc4ccccc4n3C)CC2)C1=O	ZINC000014543283	1060019895	/nfs/dbraw/zinc/01/98/95/1060019895.db2.gz	QCYCGKXCLODDIT-UHFFFAOYSA-N	0	0	505.619	3.070	50	0		KGAARN
COCC(=O)Nc1c2cc(NC3CCN(C(C)=O)CC3)cnc2n(CCCc2ccccc2)c1C(=O)OC	ZINC000014740632	553519617	/nfs/dbraw/zinc/51/96/17/553519617.db2.gz	UYGALOBMGGRGLC-UHFFFAOYSA-N	0	0	521.618	3.463	50	0		KGAARN
CCN(CC)C(=O)CO[C@H]1CN(C(=O)CCc2c[nH]c3ccccc23)CC(=O)N(CCc2ccccc2)C1	ZINC000014741161	553519648	/nfs/dbraw/zinc/51/96/48/553519648.db2.gz	DHWLDWHYYLQQQO-RUZDIDTESA-N	0	0	518.658	3.268	50	0		KGAARN
CCN(CC)C(=O)CO[C@@H]1CN(C(=O)CCc2c[nH]c3ccccc23)CC(=O)N(CCc2ccccc2)C1	ZINC000014741162	553519593	/nfs/dbraw/zinc/51/95/93/553519593.db2.gz	DHWLDWHYYLQQQO-VWLOTQADSA-N	0	0	518.658	3.268	50	0		KGAARN
CCN(CC)C(=O)CO[C@@H]1CN(C(=O)c2cc3ccccc3o2)CC(=O)N(Cc2ccc(OC)cc2)C1	ZINC000014741264	1060019875	/nfs/dbraw/zinc/01/98/75/1060019875.db2.gz	LAABVZQPDDCLEY-QHCPKHFHSA-N	0	0	507.587	3.180	50	0		KGAARN
CCN(CC)C(=O)CO[C@H]1CN(C(=O)c2cc3ccccc3o2)CC(=O)N(Cc2ccc(OC)cc2)C1	ZINC000014741265	1060019757	/nfs/dbraw/zinc/01/97/57/1060019757.db2.gz	LAABVZQPDDCLEY-HSZRJFAPSA-N	0	0	507.587	3.180	50	0		KGAARN
CN(C)S(=O)(=O)c1cc(NCc2ccc(-c3ccco3)cc2)cc(C(=O)N2CCC[C@@H](C(N)=O)C2)c1	ZINC000014742438	1060019939	/nfs/dbraw/zinc/01/99/39/1060019939.db2.gz	OSFDYIJBNQFQGX-HXUWFJFHSA-N	0	0	510.616	3.147	50	0		KGAARN
CN(C)S(=O)(=O)c1cc(NCc2ccc(-c3ccco3)cc2)cc(C(=O)N2CCC[C@H](C(N)=O)C2)c1	ZINC000014742439	1060019800	/nfs/dbraw/zinc/01/98/00/1060019800.db2.gz	OSFDYIJBNQFQGX-FQEVSTJZSA-N	0	0	510.616	3.147	50	0		KGAARN
CCN(CC)C(=O)CO[C@@H]1CN(Cc2cccn2-c2ccccn2)CC(=O)N(CCc2ccccc2)C1	ZINC000014742919	553519594	/nfs/dbraw/zinc/51/95/94/553519594.db2.gz	WXZXFVDWTWDLFZ-AREMUKBSSA-N	0	0	503.647	3.013	50	0		KGAARN
CCN(CC)C(=O)CO[C@H]1CN(Cc2cccn2-c2ccccn2)CC(=O)N(CCc2ccccc2)C1	ZINC000014742920	553519597	/nfs/dbraw/zinc/51/95/97/553519597.db2.gz	WXZXFVDWTWDLFZ-SANMLTNESA-N	0	0	503.647	3.013	50	0		KGAARN
CN(C)S(=O)(=O)c1cc(NCc2cccc(-c3ccco3)c2)cc(C(=O)N2CCC[C@@H](C(N)=O)C2)c1	ZINC000014744483	1060019725	/nfs/dbraw/zinc/01/97/25/1060019725.db2.gz	DZBMTFOYDQCPCF-HXUWFJFHSA-N	0	0	510.616	3.147	50	0		KGAARN
CN(C)S(=O)(=O)c1cc(NCc2cccc(-c3ccco3)c2)cc(C(=O)N2CCC[C@H](C(N)=O)C2)c1	ZINC000014744484	1060019820	/nfs/dbraw/zinc/01/98/20/1060019820.db2.gz	DZBMTFOYDQCPCF-FQEVSTJZSA-N	0	0	510.616	3.147	50	0		KGAARN
CC(C)NS(=O)(=O)c1cc(NCc2ccc3c(c2)CCO3)cc(C(=O)NCc2cn3ccccc3n2)c1	ZINC000014744732	1060020410	/nfs/dbraw/zinc/02/04/10/1060020410.db2.gz	UCEYRSHQZZKXDV-UHFFFAOYSA-N	0	0	519.627	3.498	50	0		KGAARN
CCN(CC)C(=O)CO[C@H]1CN(Cc2ccc(OC)cc2)C(=O)CN(C(=O)c2ccc(SC)cc2)C1	ZINC000014745732	553520057	/nfs/dbraw/zinc/52/00/57/553520057.db2.gz	TXPGXWMCYGBZFN-QHCPKHFHSA-N	0	0	513.660	3.155	50	0		KGAARN
CCN(CC)C(=O)CO[C@@H]1CN(Cc2ccc(OC)cc2)C(=O)CN(C(=O)c2ccc(SC)cc2)C1	ZINC000014745733	553520094	/nfs/dbraw/zinc/52/00/94/553520094.db2.gz	TXPGXWMCYGBZFN-HSZRJFAPSA-N	0	0	513.660	3.155	50	0		KGAARN
Cn1ccnc1CN1C[C@H](C(=O)NCCCn2ccnc2)C[C@H](COc2cccc(C(F)(F)F)c2)C1	ZINC000014746232	1060020367	/nfs/dbraw/zinc/02/03/67/1060020367.db2.gz	WWICLLHHBPAAIT-VQTJNVASSA-N	0	0	504.557	3.359	50	0		KGAARN
O=C(N[C@H]1C[C@H]2C(=O)N[C@@H](CC3CCCCC3)C(=O)N2C1)c1cnn(-c2ccccc2)c1C(F)(F)F	ZINC000014747569	1060020689	/nfs/dbraw/zinc/02/06/89/1060020689.db2.gz	QBCVONPLIXJEOX-VDGAXYAQSA-N	0	0	503.525	3.059	50	0		KGAARN
CCN(CC)C(=O)CO[C@H]1CN(Cc2ccc(OC)cc2)C(=O)CN(C(=O)c2ccc(N3CCCC3)cc2)C1	ZINC000014749923	1060020463	/nfs/dbraw/zinc/02/04/63/1060020463.db2.gz	QXVBPMQLFQZDOJ-MHZLTWQESA-N	0	0	536.673	3.034	50	0		KGAARN
CCN(CC)C(=O)CO[C@@H]1CN(Cc2ccc(OC)cc2)C(=O)CN(C(=O)c2ccc(N3CCCC3)cc2)C1	ZINC000014749924	1060020627	/nfs/dbraw/zinc/02/06/27/1060020627.db2.gz	QXVBPMQLFQZDOJ-HHHXNRCGSA-N	0	0	536.673	3.034	50	0		KGAARN
CCCCCC[C@@H]1C(=O)O[C@H](C)[C@H](NC(=O)c2cccc(NC=O)c2O)C(=O)O[C@H](C)[C@@H]1OC(=O)CCC	ZINC000014853702	553520716	/nfs/dbraw/zinc/52/07/16/553520716.db2.gz	LYDAGTPXPZARPR-XVKHMOOSSA-N	0	0	534.606	3.234	50	0		KGAARN
CCCCCC[C@@H]1C(=O)O[C@H](C)[C@H](NC(=O)c2cccc(NC=O)c2O)C(=O)O[C@H](C)[C@H]1OC(=O)CCC	ZINC000014853708	553520788	/nfs/dbraw/zinc/52/07/88/553520788.db2.gz	LYDAGTPXPZARPR-BLLWMLRJSA-N	0	0	534.606	3.234	50	0		KGAARN
COC(=O)c1nnn([C@H]2C[C@@H](C(=O)Nc3cccc(SC)c3)N(Cc3ccccc3)C2)c1C(=O)OC	ZINC000014879808	1060021196	/nfs/dbraw/zinc/02/11/96/1060021196.db2.gz	MPBKQSUFCKKLLC-ICSRJNTNSA-N	0	0	509.588	3.028	50	0		KGAARN
COc1cc(CN(C(=O)CCn2ccc(C)n2)[C@H]2CCCCNC2=O)ccc1OCCc1ccccn1	ZINC000014880496	1060021650	/nfs/dbraw/zinc/02/16/50/1060021650.db2.gz	JFGPSUKBTNCEDM-DEOSSOPVSA-N	0	0	505.619	3.304	50	0		KGAARN
O=C(NOC[C@H](O)CO)c1cc(Br)c(F)c(F)c1Nc1ccc(I)cc1F	ZINC000014880612	553520997	/nfs/dbraw/zinc/52/09/97/553520997.db2.gz	XXSSGBYXSKOLAM-MRVPVSSYSA-N	0	0	561.092	3.229	50	0	in-vivo	KGAARN
O=C(NOC[C@@H](O)CO)c1cc(Br)c(F)c(F)c1Nc1ccc(I)cc1F	ZINC000014880614	553521021	/nfs/dbraw/zinc/52/10/21/553521021.db2.gz	XXSSGBYXSKOLAM-QMMMGPOBSA-N	0	0	561.092	3.229	50	0	in-vivo	KGAARN
COc1ccccc1CCNC(=O)[C@@H]1C[C@@H](n2cnnn2)CN1Cc1ccc(OCc2ccccc2)cc1	ZINC000014882669	553521037	/nfs/dbraw/zinc/52/10/37/553521037.db2.gz	FQLSWXDCMBPBJP-VPUSJEBWSA-N	0	0	512.614	3.435	50	0		KGAARN
COC(=O)c1nnn([C@H]2C[C@@H](C(=O)Nc3cccc(SC)c3)N(Cc3ccc(C)cc3)C2)c1C(=O)OC	ZINC000014882814	1060021542	/nfs/dbraw/zinc/02/15/42/1060021542.db2.gz	SIHVJHGLPVQGSC-FPOVZHCZSA-N	0	0	523.615	3.336	50	0		KGAARN
Cc1cc(C)n(CCNC(=O)[C@@H]2CCCN(c3cccc4c3C(=O)N(Cc3ccc5c(c3)OCO5)C4=O)C2)n1	ZINC000014883824	553521360	/nfs/dbraw/zinc/52/13/60/553521360.db2.gz	GXCYFVKYTALYPZ-OAQYLSRUSA-N	0	0	529.597	3.058	50	0		KGAARN
Cc1cc(C)n(CCNC(=O)[C@H]2CCCN(c3cccc4c3C(=O)N(Cc3ccc5c(c3)OCO5)C4=O)C2)n1	ZINC000014883826	553521358	/nfs/dbraw/zinc/52/13/58/553521358.db2.gz	GXCYFVKYTALYPZ-NRFANRHFSA-N	0	0	529.597	3.058	50	0		KGAARN
COc1ccc(CCN(C)C(=O)C2CCN(c3cccc4c3C(=O)N(C[C@@H]3CCCO3)C4=O)CC2)cc1OC	ZINC000014886720	553521355	/nfs/dbraw/zinc/52/13/55/553521355.db2.gz	LVUMWXQXMNAXNZ-QFIPXVFZSA-N	0	0	535.641	3.396	50	0		KGAARN
COc1ccc(CCN(C)C(=O)C2CCN(c3cccc4c3C(=O)N(C[C@H]3CCCO3)C4=O)CC2)cc1OC	ZINC000014886723	553521260	/nfs/dbraw/zinc/52/12/60/553521260.db2.gz	LVUMWXQXMNAXNZ-JOCHJYFZSA-N	0	0	535.641	3.396	50	0		KGAARN
COc1cc(CN(Cc2ccncc2)C(=O)Cc2c(C)noc2C)cc(OC)c1OCCN1CCOCC1	ZINC000014887227	1060021170	/nfs/dbraw/zinc/02/11/70/1060021170.db2.gz	AMTSGBIHIWEKPV-UHFFFAOYSA-N	0	0	524.618	3.186	50	0		KGAARN
CN(Cc1cscn1)Cc1cccc(OCCN2CCN(C(=O)c3cn(C)c4ccccc4c3=O)CC2)c1	ZINC000014953594	1060021140	/nfs/dbraw/zinc/02/11/40/1060021140.db2.gz	ASVAUBSIGDUTCJ-UHFFFAOYSA-N	0	0	531.682	3.464	50	0		KGAARN
COC(=O)c1nnn([C@H]2C[C@@H](C(=O)Nc3cccc(SC)c3)N(Cc3ccsc3)C2)c1C(=O)OC	ZINC000014975366	553522951	/nfs/dbraw/zinc/52/29/51/553522951.db2.gz	MZWITVWQFOSFLW-WMZOPIPTSA-N	0	0	515.617	3.089	50	0		KGAARN
CN(Cc1ccon1)Cc1cccc(OC2CCN(C(=O)Cc3ccc(N4CCNC4=O)cc3)CC2)c1	ZINC000014986158	1059559667	/nfs/dbraw/zinc/55/96/67/1059559667.db2.gz	VIMCNURIACBQIR-UHFFFAOYSA-N	0	0	503.603	3.449	50	0		KGAARN
Cc1cc(C)n(CCNC(=O)[C@@H]2CCCN(c3cccc4c3C(=O)N([C@@H]3CCOC(C)(C)C3)C4=O)C2)n1	ZINC000014986467	553523510	/nfs/dbraw/zinc/52/35/10/553523510.db2.gz	YCIKCFYQWGAAIC-NHCUHLMSSA-N	0	0	507.635	3.086	50	0		KGAARN
Cc1cc(C)n(CCNC(=O)[C@H]2CCCN(c3cccc4c3C(=O)N([C@@H]3CCOC(C)(C)C3)C4=O)C2)n1	ZINC000014986468	553523449	/nfs/dbraw/zinc/52/34/49/553523449.db2.gz	YCIKCFYQWGAAIC-LEWJYISDSA-N	0	0	507.635	3.086	50	0		KGAARN
COc1ccc(CN(C[C@@H]2CCCO2)C(=O)Cn2nc(C)c3ccccc3c2=O)cc1OCC1(C)COC1	ZINC000014987944	1060022474	/nfs/dbraw/zinc/02/24/74/1060022474.db2.gz	BUKUNOKKBQZRLQ-QFIPXVFZSA-N	0	0	521.614	3.337	50	0		KGAARN
COc1ccc(CN(C[C@H]2CCCO2)C(=O)Cn2nc(C)c3ccccc3c2=O)cc1OCC1(C)COC1	ZINC000014987949	1060022436	/nfs/dbraw/zinc/02/24/36/1060022436.db2.gz	BUKUNOKKBQZRLQ-JOCHJYFZSA-N	0	0	521.614	3.337	50	0		KGAARN
COC(=O)c1cn([C@@H]2C[C@@H](C(=O)NCCc3cccc(Cl)c3)N(Cc3cccc4cccnc43)C2)nn1	ZINC000014992975	553524179	/nfs/dbraw/zinc/52/41/79/553524179.db2.gz	RXHCDSQZDBNVOJ-VWNXMTODSA-N	0	0	519.005	3.441	50	0		KGAARN
O=C([C@@H]1CCCN(c2cccc3c2C(=O)N(C[C@@H]2CCCO2)C3=O)C1)N1CCN(c2ccccc2F)CC1	ZINC000014993306	553524178	/nfs/dbraw/zinc/52/41/78/553524178.db2.gz	XAHXXHSEWIWOAQ-RTWAWAEBSA-N	0	0	520.605	3.166	50	0		KGAARN
O=C([C@H]1CCCN(c2cccc3c2C(=O)N(C[C@@H]2CCCO2)C3=O)C1)N1CCN(c2ccccc2F)CC1	ZINC000014993309	553524165	/nfs/dbraw/zinc/52/41/65/553524165.db2.gz	XAHXXHSEWIWOAQ-SFTDATJTSA-N	0	0	520.605	3.166	50	0		KGAARN
COc1ccc(OC)c(CN2CCN(c3cccc4c3C(=O)N(CCn3nc(C)cc3C)C4=O)CC2)c1	ZINC000014994624	553524340	/nfs/dbraw/zinc/52/43/40/553524340.db2.gz	PMROPIUBMAEMKC-UHFFFAOYSA-N	0	0	503.603	3.136	50	0		KGAARN
CCOC(=O)N1CCN(Cc2ccc(OC[C@@H]3CCCN(S(=O)(=O)c4c(C)noc4C)C3)cc2)CC1	ZINC000014995387	553524335	/nfs/dbraw/zinc/52/43/35/553524335.db2.gz	FKEUZPCNUGNNNE-JOCHJYFZSA-N	0	0	520.652	3.045	50	0		KGAARN
CCOC(=O)N1CCN(Cc2ccc(OC[C@H]3CCCN(S(=O)(=O)c4c(C)noc4C)C3)cc2)CC1	ZINC000014995390	553524317	/nfs/dbraw/zinc/52/43/17/553524317.db2.gz	FKEUZPCNUGNNNE-QFIPXVFZSA-N	0	0	520.652	3.045	50	0		KGAARN
CN(Cc1cscn1)Cc1cccc(OCCN2CCN(C(=O)[C@@H]3Cc4ccccc4CN3C)CC2)c1	ZINC000014996677	1059559311	/nfs/dbraw/zinc/55/93/11/1059559311.db2.gz	OOSPTDVUVBMJKO-NDEPHWFRSA-N	0	0	519.715	3.355	50	0		KGAARN
CN(Cc1cscn1)Cc1cccc(OCCN2CCN(C(=O)[C@H]3Cc4ccccc4CN3C)CC2)c1	ZINC000014996682	1059559494	/nfs/dbraw/zinc/55/94/94/1059559494.db2.gz	OOSPTDVUVBMJKO-MUUNZHRXSA-N	0	0	519.715	3.355	50	0		KGAARN
COCCCN1C(=O)c2cccc(N3CCC[C@@H](C(=O)N4CCN(c5ccc(F)cc5)CC4)C3)c2C1=O	ZINC000014997553	553524644	/nfs/dbraw/zinc/52/46/44/553524644.db2.gz	PLLYYCNRJOPYNF-HXUWFJFHSA-N	0	0	508.594	3.023	50	0		KGAARN
COCCCN1C(=O)c2cccc(N3CCC[C@H](C(=O)N4CCN(c5ccc(F)cc5)CC4)C3)c2C1=O	ZINC000014997556	553524574	/nfs/dbraw/zinc/52/45/74/553524574.db2.gz	PLLYYCNRJOPYNF-FQEVSTJZSA-N	0	0	508.594	3.023	50	0		KGAARN
COc1cc(CC(=O)NCc2nnc(SC[C@@H]3CCCO3)n2Cc2ccccc2)cc(OC)c1OC	ZINC000014998750	553524622	/nfs/dbraw/zinc/52/46/22/553524622.db2.gz	NDAQXTKWCBWZIT-FQEVSTJZSA-N	0	0	512.632	3.482	50	0		KGAARN
COc1cc(CC(=O)NCc2nnc(SC[C@H]3CCCO3)n2Cc2ccccc2)cc(OC)c1OC	ZINC000014998753	553524607	/nfs/dbraw/zinc/52/46/07/553524607.db2.gz	NDAQXTKWCBWZIT-HXUWFJFHSA-N	0	0	512.632	3.482	50	0		KGAARN
O=C(NCC1(O)CCCCC1)C1CCN(c2cccc3c2C(=O)N(Cc2ccc4c(c2)OCO4)C3=O)CC1	ZINC000015001917	553524951	/nfs/dbraw/zinc/52/49/51/553524951.db2.gz	NZAFJTPKMLXGSD-UHFFFAOYSA-N	0	0	519.598	3.239	50	0		KGAARN
COc1ccc2cc(CN(CCCN3CCCC3=O)C(=O)c3cncs3)c(N3CCOCC3)nc2c1	ZINC000015004552	1060022058	/nfs/dbraw/zinc/02/20/58/1060022058.db2.gz	HBZBHOQAXIZAJZ-UHFFFAOYSA-N	0	0	509.632	3.191	50	0		KGAARN
COc1cccc(CN2C(=O)c3cccc(N4CCN(C(=O)c5csc(C)n5)CC4)c3C2=O)c1OC	ZINC000015005079	553525185	/nfs/dbraw/zinc/52/51/85/553525185.db2.gz	NDXGDRRADYUUET-UHFFFAOYSA-N	0	0	506.584	3.227	50	0		KGAARN
COc1ccc(OC)c2nc(N3CCN(C(C)=O)CC3)c(CN(C[C@@H]3CCCO3)C(=O)c3ccco3)cc12	ZINC000015008311	1060022034	/nfs/dbraw/zinc/02/20/34/1060022034.db2.gz	HUZTWFQAXVUALK-NRFANRHFSA-N	0	0	522.602	3.335	50	0		KGAARN
COc1ccc(OC)c2nc(N3CCN(C(C)=O)CC3)c(CN(C[C@H]3CCCO3)C(=O)c3ccco3)cc12	ZINC000015008313	1060022947	/nfs/dbraw/zinc/02/29/47/1060022947.db2.gz	HUZTWFQAXVUALK-OAQYLSRUSA-N	0	0	522.602	3.335	50	0		KGAARN
CCc1ccc(N2C[C@H](C(=O)NCC(C)(C)CNC(=O)[C@H]3CC(=O)N(c4ccc(CC)cc4)C3)CC2=O)cc1	ZINC000015014170	553525608	/nfs/dbraw/zinc/52/56/08/553525608.db2.gz	KZLJPIRBMRMRKR-PSWAGMNNSA-N	0	0	532.685	3.476	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OCC)cc1	ZINC000015018599	553526446	/nfs/dbraw/zinc/52/64/46/553526446.db2.gz	WHLRSCHFSJUROT-DLBLZJNESA-N	0	0	508.596	3.214	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)c(OC)c3)c(=O)n2[C@H]1c1ccc(OCC)cc1	ZINC000015018600	553526443	/nfs/dbraw/zinc/52/64/43/553526443.db2.gz	WHLRSCHFSJUROT-FCKOQQNDSA-N	0	0	508.596	3.214	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)ccc3OC)c(=O)n2[C@@H]1c1ccc(OCC)cc1	ZINC000015018603	553526436	/nfs/dbraw/zinc/52/64/36/553526436.db2.gz	AOZHHIKGSGXOEV-DLBLZJNESA-N	0	0	508.596	3.214	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)ccc3OC)c(=O)n2[C@H]1c1ccc(OCC)cc1	ZINC000015018604	553526463	/nfs/dbraw/zinc/52/64/63/553526463.db2.gz	AOZHHIKGSGXOEV-FCKOQQNDSA-N	0	0	508.596	3.214	50	0		KGAARN
COCCOC(=O)[C@@H]1[C@H](c2ccc(F)c(Oc3ccccc3)c2)[C@H](C(=O)OCCOC)C(=O)C[C@]1(C)O	ZINC000015021645	553526655	/nfs/dbraw/zinc/52/66/55/553526655.db2.gz	CFVOTOSUBYRPIK-INADMSBESA-N	0	0	518.534	3.037	50	0		KGAARN
COCCOC(=O)[C@@H]1[C@@H](c2ccc(F)c(Oc3ccccc3)c2)[C@H](C(=O)OCCOC)C(=O)C[C@]1(C)O	ZINC000015021651	553526704	/nfs/dbraw/zinc/52/67/04/553526704.db2.gz	CFVOTOSUBYRPIK-LAOBSVPGSA-N	0	0	518.534	3.037	50	0		KGAARN
COc1ccc2cc(CN(C[C@@H]3CCCO3)C(=O)c3cc(C)c(C)[nH]c3=O)c(N3CCOCC3)nc2c1	ZINC000015070347	1060023362	/nfs/dbraw/zinc/02/33/62/1060023362.db2.gz	LFKFOYCBDKEHAR-QHCPKHFHSA-N	0	0	506.603	3.207	50	0		KGAARN
COc1ccc2cc(CN(C[C@H]3CCCO3)C(=O)c3cc(C)c(C)[nH]c3=O)c(N3CCOCC3)nc2c1	ZINC000015070349	1060022980	/nfs/dbraw/zinc/02/29/80/1060022980.db2.gz	LFKFOYCBDKEHAR-HSZRJFAPSA-N	0	0	506.603	3.207	50	0		KGAARN
COc1ccc2cc(CN(C[C@@H]3CCCO3)C(=O)CCn3nc(C)cc3C)c(N3CCOCC3)nc2c1	ZINC000015072603	1060023385	/nfs/dbraw/zinc/02/33/85/1060023385.db2.gz	QALODBHFHZNTFS-VWLOTQADSA-N	0	0	507.635	3.491	50	0		KGAARN
COc1ccc2cc(CN(C[C@H]3CCCO3)C(=O)CCn3nc(C)cc3C)c(N3CCOCC3)nc2c1	ZINC000015072606	1060023335	/nfs/dbraw/zinc/02/33/35/1060023335.db2.gz	QALODBHFHZNTFS-RUZDIDTESA-N	0	0	507.635	3.491	50	0		KGAARN
COc1cc(NC(C)=O)c(CNC(=O)CSc2ccccn2)cc1CNC(=O)CSc1ccccn1	ZINC000015108667	553528050	/nfs/dbraw/zinc/52/80/50/553528050.db2.gz	SNOCCRZTHSWRLT-UHFFFAOYSA-N	0	0	525.656	3.261	50	0		KGAARN
O=C(OCCOc1ccc(Br)cc1)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1	ZINC000015152885	553528452	/nfs/dbraw/zinc/52/84/52/553528452.db2.gz	CHUIVTQELOZTIR-UHFFFAOYSA-N	0	0	504.786	3.359	50	0		KGAARN
O=C(COC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)N(CCc1ccccc1)Cc1ccccc1	ZINC000015153299	553528435	/nfs/dbraw/zinc/52/84/35/553528435.db2.gz	JIFNHQKWGKBDCV-UHFFFAOYSA-N	0	0	522.623	3.136	50	0		KGAARN
Cc1ccc(C)c(NC(=O)[C@@H]2CN(S(=O)(=O)c3ccccc3)CCN2S(=O)(=O)c2ccccc2)c1	ZINC000015230981	553529891	/nfs/dbraw/zinc/52/98/91/553529891.db2.gz	CVUKVUQLYWLIBS-DEOSSOPVSA-N	0	0	513.641	3.006	50	0		KGAARN
Cc1ccc(C)c(NC(=O)[C@H]2CN(S(=O)(=O)c3ccccc3)CCN2S(=O)(=O)c2ccccc2)c1	ZINC000015230983	553529912	/nfs/dbraw/zinc/52/99/12/553529912.db2.gz	CVUKVUQLYWLIBS-XMMPIXPASA-N	0	0	513.641	3.006	50	0		KGAARN
COc1ccc(CC(=O)NN2C(=S)N(c3ccccc3)C(=O)[C@@H]2CC(=O)Nc2ccc(F)cc2)cc1	ZINC000015307206	553531346	/nfs/dbraw/zinc/53/13/46/553531346.db2.gz	HSMNHBARTYVCSN-QFIPXVFZSA-N	0	0	506.559	3.439	50	0		KGAARN
COc1ccc(CC(=O)NN2C(=S)N(c3ccccc3)C(=O)[C@H]2CC(=O)Nc2ccc(F)cc2)cc1	ZINC000015307211	553531357	/nfs/dbraw/zinc/53/13/57/553531357.db2.gz	HSMNHBARTYVCSN-JOCHJYFZSA-N	0	0	506.559	3.439	50	0		KGAARN
Cc1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)cc1S(=O)(=O)N1CCCCCC1	ZINC000015315976	553531524	/nfs/dbraw/zinc/53/15/24/553531524.db2.gz	XEZJCEQYQNHCGV-IBGZPJMESA-N	0	0	513.616	3.323	50	0		KGAARN
Cc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)cc1S(=O)(=O)N1CCCCCC1	ZINC000015315978	553531466	/nfs/dbraw/zinc/53/14/66/553531466.db2.gz	XEZJCEQYQNHCGV-LJQANCHMSA-N	0	0	513.616	3.323	50	0		KGAARN
COc1ccc(-n2nnnc2C2(N3CCN(C(=O)c4ccco4)CC3)C3CC4CC(C3)CC2C4)cc1OC	ZINC000015414086	553532555	/nfs/dbraw/zinc/53/25/55/553532555.db2.gz	HWNHQQSHBLYJMD-UHFFFAOYSA-N	0	0	518.618	3.382	50	0		KGAARN
COc1c2c(cc3c1[C@H](c1nnnn1-c1ccc(C(=O)N(C)Cc4ccccc4)cc1)N(C)CC3)OCO2	ZINC000015414779	553532846	/nfs/dbraw/zinc/53/28/46/553532846.db2.gz	AFSJPHIBYRFSFB-XMMPIXPASA-N	0	0	512.570	3.249	50	0	biogenic	KGAARN
COc1c2c(cc3c1[C@@H](c1nnnn1-c1ccc(C(=O)N(C)Cc4ccccc4)cc1)N(C)CC3)OCO2	ZINC000015414782	553532802	/nfs/dbraw/zinc/53/28/02/553532802.db2.gz	AFSJPHIBYRFSFB-DEOSSOPVSA-N	0	0	512.570	3.249	50	0	biogenic	KGAARN
COc1c2c(cc3c1[C@H](c1nnnn1-c1ccc(C(=O)N4CCc5ccccc54)cc1)N(C)CC3)OCO2	ZINC000015414864	553532809	/nfs/dbraw/zinc/53/28/09/553532809.db2.gz	NKAJTUFEWCOYAP-XMMPIXPASA-N	0	0	510.554	3.180	50	0	biogenic	KGAARN
COc1c2c(cc3c1[C@@H](c1nnnn1-c1ccc(C(=O)N4CCc5ccccc54)cc1)N(C)CC3)OCO2	ZINC000015414867	553532778	/nfs/dbraw/zinc/53/27/78/553532778.db2.gz	NKAJTUFEWCOYAP-DEOSSOPVSA-N	0	0	510.554	3.180	50	0	biogenic	KGAARN
COc1cccc(NC(=O)c2ccc(-n3nnnc3[C@H]3c4c(cc5c(c4OC)OCO5)CCN3C)cc2)c1	ZINC000015414904	553532839	/nfs/dbraw/zinc/53/28/39/553532839.db2.gz	MQBQHWWHNQMAIO-HSZRJFAPSA-N	0	0	514.542	3.238	50	0	biogenic	KGAARN
COc1cccc(NC(=O)c2ccc(-n3nnnc3[C@@H]3c4c(cc5c(c4OC)OCO5)CCN3C)cc2)c1	ZINC000015414907	553532668	/nfs/dbraw/zinc/53/26/68/553532668.db2.gz	MQBQHWWHNQMAIO-QHCPKHFHSA-N	0	0	514.542	3.238	50	0	biogenic	KGAARN
COc1ccccc1NC(=O)c1ccc(-n2nnnc2[C@H]2c3c(cc4c(c3OC)OCO4)CCN2C)cc1	ZINC000015414982	553532898	/nfs/dbraw/zinc/53/28/98/553532898.db2.gz	KXBQGIHRSMVHIK-HSZRJFAPSA-N	0	0	514.542	3.238	50	0	biogenic	KGAARN
COc1ccccc1NC(=O)c1ccc(-n2nnnc2[C@@H]2c3c(cc4c(c3OC)OCO4)CCN2C)cc1	ZINC000015414985	553532771	/nfs/dbraw/zinc/53/27/71/553532771.db2.gz	KXBQGIHRSMVHIK-QHCPKHFHSA-N	0	0	514.542	3.238	50	0	biogenic	KGAARN
COc1c2c(cc3c1[C@H](c1nnnn1-c1cccc(C(=O)NC4CCCCCC4)c1)N(C)CC3)OCO2	ZINC000015415362	553532979	/nfs/dbraw/zinc/53/29/79/553532979.db2.gz	ABUNLTFIYKNXON-HSZRJFAPSA-N	0	0	504.591	3.430	50	0	biogenic	KGAARN
COc1c2c(cc3c1[C@@H](c1nnnn1-c1cccc(C(=O)NC4CCCCCC4)c1)N(C)CC3)OCO2	ZINC000015415365	553533062	/nfs/dbraw/zinc/53/30/62/553533062.db2.gz	ABUNLTFIYKNXON-QHCPKHFHSA-N	0	0	504.591	3.430	50	0	biogenic	KGAARN
COc1ccccc1NC(=O)c1cccc(-n2nnnc2[C@H]2c3c(cc4c(c3OC)OCO4)CCN2C)c1	ZINC000015415383	553533007	/nfs/dbraw/zinc/53/30/07/553533007.db2.gz	JSQUYAYSKNPMIJ-HSZRJFAPSA-N	0	0	514.542	3.238	50	0	biogenic	KGAARN
COc1ccccc1NC(=O)c1cccc(-n2nnnc2[C@@H]2c3c(cc4c(c3OC)OCO4)CCN2C)c1	ZINC000015415386	553533047	/nfs/dbraw/zinc/53/30/47/553533047.db2.gz	JSQUYAYSKNPMIJ-QHCPKHFHSA-N	0	0	514.542	3.238	50	0	biogenic	KGAARN
COc1cccc(NC(=O)c2cccc(-n3nnnc3[C@H]3c4c(cc5c(c4OC)OCO5)CCN3C)c2)c1	ZINC000015415389	553532973	/nfs/dbraw/zinc/53/29/73/553532973.db2.gz	UPAZTTDANZCRHQ-HSZRJFAPSA-N	0	0	514.542	3.238	50	0	biogenic	KGAARN
COc1cccc(NC(=O)c2cccc(-n3nnnc3[C@@H]3c4c(cc5c(c4OC)OCO5)CCN3C)c2)c1	ZINC000015415392	553533013	/nfs/dbraw/zinc/53/30/13/553533013.db2.gz	UPAZTTDANZCRHQ-QHCPKHFHSA-N	0	0	514.542	3.238	50	0	biogenic	KGAARN
COc1ccc(NC(=O)c2cccc(-n3nnnc3[C@H]3c4c(cc5c(c4OC)OCO5)CCN3C)c2)cc1	ZINC000015415395	553533020	/nfs/dbraw/zinc/53/30/20/553533020.db2.gz	HPFATHDKOHHTEH-HSZRJFAPSA-N	0	0	514.542	3.238	50	0	biogenic	KGAARN
COc1ccc(NC(=O)c2cccc(-n3nnnc3[C@@H]3c4c(cc5c(c4OC)OCO5)CCN3C)c2)cc1	ZINC000015415398	553533075	/nfs/dbraw/zinc/53/30/75/553533075.db2.gz	HPFATHDKOHHTEH-QHCPKHFHSA-N	0	0	514.542	3.238	50	0	biogenic	KGAARN
COc1c2c(cc3c1[C@H](c1nnnn1-c1cccc(C(=O)N4CCc5ccccc54)c1)N(C)CC3)OCO2	ZINC000015415443	553533092	/nfs/dbraw/zinc/53/30/92/553533092.db2.gz	GINSKDOTQMNTDT-XMMPIXPASA-N	0	0	510.554	3.180	50	0	biogenic	KGAARN
COc1c2c(cc3c1[C@@H](c1nnnn1-c1cccc(C(=O)N4CCc5ccccc54)c1)N(C)CC3)OCO2	ZINC000015415446	553532936	/nfs/dbraw/zinc/53/29/36/553532936.db2.gz	GINSKDOTQMNTDT-DEOSSOPVSA-N	0	0	510.554	3.180	50	0	biogenic	KGAARN
COc1c2c(cc3c1[C@H](c1nnnn1-c1cccc(C(=O)N[C@@H](C)c4ccccc4)c1)N(C)CC3)OCO2	ZINC000015415461	553532946	/nfs/dbraw/zinc/53/29/46/553532946.db2.gz	UCVCSFZQHHAURG-BXKMTCNYSA-N	0	0	512.570	3.468	50	0	biogenic	KGAARN
COc1c2c(cc3c1[C@@H](c1nnnn1-c1cccc(C(=O)N[C@@H](C)c4ccccc4)c1)N(C)CC3)OCO2	ZINC000015415464	553533030	/nfs/dbraw/zinc/53/30/30/553533030.db2.gz	UCVCSFZQHHAURG-XDHUDOTRSA-N	0	0	512.570	3.468	50	0	biogenic	KGAARN
COc1ccc(/C=C2\SC(=O)N(CCNC(=O)[C@H](C)NC(=O)c3ccccc3Cl)C2=O)cc1OC	ZINC000015623867	1059138394	/nfs/dbraw/zinc/13/83/94/1059138394.db2.gz	GOWSOKQVMRQFPH-DABDWFRDSA-N	0	0	517.991	3.328	50	0		KGAARN
O=C(Nc1cccc(S(=O)(=O)N2CCCC2)c1)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O	ZINC000015634864	553533719	/nfs/dbraw/zinc/53/37/19/553533719.db2.gz	RGEQGIDZRCSSGS-DEOSSOPVSA-N	0	0	503.580	3.317	50	0		KGAARN
COc1cc(/C=C2\SC(=O)N(CCNC(=O)c3cc(=O)[nH]c4ccccc43)C2=O)cc(OC)c1OC	ZINC000015635020	1059534299	/nfs/dbraw/zinc/53/42/99/1059534299.db2.gz	IRUFILZNVPUAIF-NDENLUEZSA-N	0	0	509.540	3.020	50	0		KGAARN
COc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)NCCN4CCOCC4)c(Cl)c3n2)cc1OC	ZINC000015659633	553533894	/nfs/dbraw/zinc/53/38/94/553533894.db2.gz	BOYQAHHWUAEPAM-UHFFFAOYSA-N	0	0	513.904	3.148	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Br)o3)c(=O)n2[C@H]1c1ccc(OC)cc1	ZINC000015659645	553533925	/nfs/dbraw/zinc/53/39/25/553533925.db2.gz	KJDIKYQRIADKML-QMDZLVRISA-N	0	0	503.374	3.162	50	0		KGAARN
CCCCN1C(=O)c2cc(C(=O)NCCc3ccc(OCC)cc3)nn2C[C@@]1(C)C(=O)NC1CCCC1	ZINC000015723890	553535301	/nfs/dbraw/zinc/53/53/01/553535301.db2.gz	IILMOQYCYBQHAE-NDEPHWFRSA-N	0	0	509.651	3.328	50	0		KGAARN
CCCCN1C(=O)c2cc(C(=O)NCCc3ccc(OCC)cc3)nn2C[C@]1(C)C(=O)NC1CCCC1	ZINC000015723892	553535293	/nfs/dbraw/zinc/53/52/93/553535293.db2.gz	IILMOQYCYBQHAE-MUUNZHRXSA-N	0	0	509.651	3.328	50	0		KGAARN
CCOC(=O)C1CCN(C(=O)c2ccc(CN3C(=O)C(C)=C(c4ccc(OC)cc4)S3(=O)=O)cc2)CC1	ZINC000015732908	553535506	/nfs/dbraw/zinc/53/55/06/553535506.db2.gz	PLILKBRYDTYFQX-UHFFFAOYSA-N	0	0	526.611	3.214	50	0		KGAARN
COc1ccc(C2=C(C)C(=O)N(Cc3ccc(C(=O)NCc4ccc5c(c4)OCO5)cc3)S2(=O)=O)cc1	ZINC000015732911	553535452	/nfs/dbraw/zinc/53/54/52/553535452.db2.gz	DYQKOJZDVNEPRU-UHFFFAOYSA-N	0	0	520.563	3.457	50	0		KGAARN
CCOC(=O)[C@@H]1CCCN(C(=O)c2ccc(CN3C(=O)C(C)=C(c4ccc(OC)cc4)S3(=O)=O)cc2)C1	ZINC000015732917	553535730	/nfs/dbraw/zinc/53/57/30/553535730.db2.gz	JEQXAQFKJWXHAF-JOCHJYFZSA-N	0	0	526.611	3.214	50	0		KGAARN
CCOC(=O)[C@H]1CCCN(C(=O)c2ccc(CN3C(=O)C(C)=C(c4ccc(OC)cc4)S3(=O)=O)cc2)C1	ZINC000015732918	553535705	/nfs/dbraw/zinc/53/57/05/553535705.db2.gz	JEQXAQFKJWXHAF-QFIPXVFZSA-N	0	0	526.611	3.214	50	0		KGAARN
COc1ccccc1C(=O)N/C(=C/c1ccc2c(c1)OCO2)C(=O)NCCC(=O)OCc1ccccc1	ZINC000015768159	553536068	/nfs/dbraw/zinc/53/60/68/553536068.db2.gz	XHVOSJTXMZIOFQ-PXLXIMEGSA-N	0	0	502.523	3.445	50	0		KGAARN
O=C(Nc1ccccc1Cl)[C@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1	ZINC000015769164	553536082	/nfs/dbraw/zinc/53/60/82/553536082.db2.gz	XCSUZGWICCUCIT-JOCHJYFZSA-N	0	0	520.032	3.043	50	0		KGAARN
COc1ccc(CNC(=O)CN2c3cc(S(=O)(=O)N4CCCCC4)ccc3S[C@H](C)CC2=O)cc1	ZINC000015785615	553536575	/nfs/dbraw/zinc/53/65/75/553536575.db2.gz	HWZQQXNYBBJCAD-GOSISDBHSA-N	0	0	517.673	3.404	50	0		KGAARN
COc1ccc(CNC(=O)CN2c3cc(S(=O)(=O)N4CCCCC4)ccc3S[C@@H](C)CC2=O)cc1	ZINC000015785616	553536569	/nfs/dbraw/zinc/53/65/69/553536569.db2.gz	HWZQQXNYBBJCAD-SFHVURJKSA-N	0	0	517.673	3.404	50	0		KGAARN
COc1cccc(CNC(=O)CN2c3cc(S(=O)(=O)N4CCCCC4)ccc3S[C@H](C)CC2=O)c1	ZINC000015785617	553536564	/nfs/dbraw/zinc/53/65/64/553536564.db2.gz	OBNCSHAEWQTSLW-GOSISDBHSA-N	0	0	517.673	3.404	50	0		KGAARN
COc1cccc(CNC(=O)CN2c3cc(S(=O)(=O)N4CCCCC4)ccc3S[C@@H](C)CC2=O)c1	ZINC000015785618	553536593	/nfs/dbraw/zinc/53/65/93/553536593.db2.gz	OBNCSHAEWQTSLW-SFHVURJKSA-N	0	0	517.673	3.404	50	0		KGAARN
COc1ccc(N2C(=O)[C@@H](CC(=O)NCCc3ccccc3)N(NC(=O)c3ccccc3)C2=S)cc1	ZINC000015799040	553536784	/nfs/dbraw/zinc/53/67/84/553536784.db2.gz	INIQVUPMEHXVBL-HSZRJFAPSA-N	0	0	502.596	3.091	50	0		KGAARN
COc1ccc(N2C(=O)[C@H](CC(=O)NCCc3ccccc3)N(NC(=O)c3ccccc3)C2=S)cc1	ZINC000015799043	553536739	/nfs/dbraw/zinc/53/67/39/553536739.db2.gz	INIQVUPMEHXVBL-QHCPKHFHSA-N	0	0	502.596	3.091	50	0		KGAARN
CCOC(=O)c1ccc(N2C(=O)[C@@H](CC(=O)Nc3ccc(Cl)cc3)N(CC(=O)OC)C2=S)cc1	ZINC000015799287	553536720	/nfs/dbraw/zinc/53/67/20/553536720.db2.gz	YKLIMFVYNSSJHF-GOSISDBHSA-N	0	0	503.964	3.021	50	0		KGAARN
CCOC(=O)c1ccc(N2C(=O)[C@H](CC(=O)Nc3ccc(Cl)cc3)N(CC(=O)OC)C2=S)cc1	ZINC000015799289	553536786	/nfs/dbraw/zinc/53/67/86/553536786.db2.gz	YKLIMFVYNSSJHF-SFHVURJKSA-N	0	0	503.964	3.021	50	0		KGAARN
COc1ccc(OC)c(N(CC(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)S(C)(=O)=O)c1	ZINC000015822712	553536749	/nfs/dbraw/zinc/53/67/49/553536749.db2.gz	ITWWSKSYBXPRQA-UHFFFAOYSA-N	0	0	523.655	3.404	50	0		KGAARN
COc1ccc(CNC(=O)CN2c3ccccc3S(=O)(=O)N(c3ccc(OC)c(OC)c3)C2=O)cc1	ZINC000015827326	553537040	/nfs/dbraw/zinc/53/70/40/553537040.db2.gz	JFLVBSIJXVPWSW-UHFFFAOYSA-N	0	0	511.556	3.164	50	0		KGAARN
COc1cccc(CNC(=O)CN2c3ccccc3S(=O)(=O)N(c3ccc(OC)c(OC)c3)C2=O)c1	ZINC000015827343	553536985	/nfs/dbraw/zinc/53/69/85/553536985.db2.gz	QFIOVVSZKOXMBN-UHFFFAOYSA-N	0	0	511.556	3.164	50	0		KGAARN
O=C(CSc1nc2cc(C(=O)NC[C@@H]3CCCO3)ccc2c(=O)n1C[C@@H]1CCCO1)NC1CCCCC1	ZINC000015827432	553537036	/nfs/dbraw/zinc/53/70/36/553537036.db2.gz	FWRYPOSWHVAYRR-SFTDATJTSA-N	0	0	528.675	3.025	50	0		KGAARN
O=C(CSc1nc2cc(C(=O)NC[C@H]3CCCO3)ccc2c(=O)n1C[C@@H]1CCCO1)NC1CCCCC1	ZINC000015827434	553536997	/nfs/dbraw/zinc/53/69/97/553536997.db2.gz	FWRYPOSWHVAYRR-RTWAWAEBSA-N	0	0	528.675	3.025	50	0		KGAARN
O=C(CSc1nc2cc(C(=O)NC[C@@H]3CCCO3)ccc2c(=O)n1C[C@H]1CCCO1)NC1CCCCC1	ZINC000015827436	553537050	/nfs/dbraw/zinc/53/70/50/553537050.db2.gz	FWRYPOSWHVAYRR-LEWJYISDSA-N	0	0	528.675	3.025	50	0		KGAARN
O=C(CSc1nc2cc(C(=O)NC[C@H]3CCCO3)ccc2c(=O)n1C[C@H]1CCCO1)NC1CCCCC1	ZINC000015827438	553537057	/nfs/dbraw/zinc/53/70/57/553537057.db2.gz	FWRYPOSWHVAYRR-NHCUHLMSSA-N	0	0	528.675	3.025	50	0		KGAARN
C[C@@H]1CN(S(=O)(=O)c2ccc(Oc3ccc(S(=O)(=O)N4C[C@@H](C)O[C@@H](C)C4)cc3)cc2)C[C@@H](C)O1	ZINC000015857484	553537612	/nfs/dbraw/zinc/53/76/12/553537612.db2.gz	NEFOMNBRNQSXNT-WTGUMLROSA-N	0	0	524.661	3.075	50	0		KGAARN
C[C@@H]1CN(S(=O)(=O)c2ccc(Oc3ccc(S(=O)(=O)N4C[C@@H](C)O[C@@H](C)C4)cc3)cc2)C[C@H](C)O1	ZINC000015857488	553537682	/nfs/dbraw/zinc/53/76/82/553537682.db2.gz	NEFOMNBRNQSXNT-FGYAAKKASA-N	0	0	524.661	3.075	50	0		KGAARN
C[C@@H]1CN(S(=O)(=O)c2ccc(Oc3ccc(S(=O)(=O)N4C[C@H](C)O[C@@H](C)C4)cc3)cc2)C[C@@H](C)O1	ZINC000015857491	553537596	/nfs/dbraw/zinc/53/75/96/553537596.db2.gz	NEFOMNBRNQSXNT-XLLXOSNRSA-N	0	0	524.661	3.075	50	0		KGAARN
C[C@@H]1CN(S(=O)(=O)c2ccc(Oc3ccc(S(=O)(=O)N4C[C@H](C)O[C@@H](C)C4)cc3)cc2)C[C@H](C)O1	ZINC000015857494	553537679	/nfs/dbraw/zinc/53/76/79/553537679.db2.gz	NEFOMNBRNQSXNT-LWYYNNOASA-N	0	0	524.661	3.075	50	0		KGAARN
O=C(C1CCN(c2ccc(-c3ccc(Br)s3)nn2)CC1)N1CCN(c2ncccn2)CC1	ZINC000015864570	553538844	/nfs/dbraw/zinc/53/88/44/553538844.db2.gz	RRYVRGRDBYCOFB-UHFFFAOYSA-N	0	0	514.453	3.323	50	0		KGAARN
Cc1nn(CC(=O)N2CCCC2)c(C)c1S(=O)(=O)N1CCC(C(=O)Nc2ccc(C)c(Cl)c2)CC1	ZINC000015865881	553538952	/nfs/dbraw/zinc/53/89/52/553538952.db2.gz	GRHUIJXVODUVKY-UHFFFAOYSA-N	0	0	522.071	3.124	50	0		KGAARN
CCOC(=O)c1c(C)n(CC)c(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc3c(c2)OCO3)C1	ZINC000015866027	553539502	/nfs/dbraw/zinc/53/95/02/553539502.db2.gz	RMYMNUZJKBQQEX-QGZVFWFLSA-N	0	0	505.593	3.070	50	0		KGAARN
CCOC(=O)c1c(C)n(CC)c(C)c1S(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc3c(c2)OCO3)C1	ZINC000015866028	553539467	/nfs/dbraw/zinc/53/94/67/553539467.db2.gz	RMYMNUZJKBQQEX-KRWDZBQOSA-N	0	0	505.593	3.070	50	0		KGAARN
CCOC(=O)c1c(C)n(CC)c(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc3c(c2)OCCO3)C1	ZINC000015866035	553539503	/nfs/dbraw/zinc/53/95/03/553539503.db2.gz	NBEVMEHYBDWUMH-GOSISDBHSA-N	0	0	519.620	3.112	50	0		KGAARN
CCOC(=O)c1c(C)n(CC)c(C)c1S(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc3c(c2)OCCO3)C1	ZINC000015866036	553539497	/nfs/dbraw/zinc/53/94/97/553539497.db2.gz	NBEVMEHYBDWUMH-SFHVURJKSA-N	0	0	519.620	3.112	50	0		KGAARN
CCOC(=O)c1c(C)n(CC)c(C)c1S(=O)(=O)NCC(=O)Nc1ccc(C)cc1Br	ZINC000015866063	553539679	/nfs/dbraw/zinc/53/96/79/553539679.db2.gz	IZEKJEHZIQSGPH-UHFFFAOYSA-N	0	0	500.415	3.289	50	0		KGAARN
CCOC(=O)c1c(C)n(CC)c(C)c1S(=O)(=O)NCC(=O)Nc1ccc(Br)c(C)c1	ZINC000015866065	553539671	/nfs/dbraw/zinc/53/96/71/553539671.db2.gz	UDGZZNUHGBVBEB-UHFFFAOYSA-N	0	0	500.415	3.289	50	0		KGAARN
COc1cc(NC(=O)c2sc3ncn(CC(=O)N4CCC(C)CC4)c(=O)c3c2C)cc(OC)c1OC	ZINC000015879907	553539852	/nfs/dbraw/zinc/53/98/52/553539852.db2.gz	SZZDXHZECQZMRR-UHFFFAOYSA-N	0	0	514.604	3.303	50	0		KGAARN
O=C(CN1C(=O)/C(=C\c2cccc(Br)c2)Oc2ccccc21)NCCCN1CCOCC1	ZINC000015880078	553540013	/nfs/dbraw/zinc/54/00/13/553540013.db2.gz	AEXPFVYHFSSIHI-CJLVFECKSA-N	0	0	500.393	3.054	50	0		KGAARN
COc1ccc(C2=NN(C(=O)CSc3nnc4[nH]c(=O)cc(C)n43)[C@H](c3ccc(OC)cc3)C2)cc1	ZINC000015881759	553539903	/nfs/dbraw/zinc/53/99/03/553539903.db2.gz	UMPSPILBYKHWHM-NRFANRHFSA-N	0	0	504.572	3.213	50	0		KGAARN
COc1ccc(C2=NN(C(=O)CSc3nnc4[nH]c(=O)cc(C)n43)[C@@H](c3ccc(OC)cc3)C2)cc1	ZINC000015881760	553539843	/nfs/dbraw/zinc/53/98/43/553539843.db2.gz	UMPSPILBYKHWHM-OAQYLSRUSA-N	0	0	504.572	3.213	50	0		KGAARN
O=C(CN1C(=O)/C(=C\c2ccccc2Br)Oc2ccccc21)NCCCN1CCOCC1	ZINC000015885003	553540108	/nfs/dbraw/zinc/54/01/08/553540108.db2.gz	PFGOUOAVLXPFGW-CJLVFECKSA-N	0	0	500.393	3.054	50	0		KGAARN
O=C(Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)c1ccccc1I	ZINC000015905873	553540404	/nfs/dbraw/zinc/54/04/04/553540404.db2.gz	GTMIYFLIRMSBHB-UHFFFAOYSA-N	0	0	506.749	3.218	50	0		KGAARN
COc1ccc(/C=C2\SC(=O)N(CCNC(=O)COC(=O)c3cccc(Cl)c3)C2=O)cc1OC	ZINC000015910218	1059138440	/nfs/dbraw/zinc/13/84/40/1059138440.db2.gz	WBWGJFCFYTXPHG-ODLFYWEKSA-N	0	0	504.948	3.367	50	0		KGAARN
Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CSc1nnc(NC2CCCCC2)s1	ZINC000015910444	553540662	/nfs/dbraw/zinc/54/06/62/553540662.db2.gz	JYRSHGRSNOMZBD-UHFFFAOYSA-N	0	0	511.695	3.343	50	0		KGAARN
O=C(COC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl)Nc1ccc(N2CCOCC2)cc1	ZINC000015911850	553541486	/nfs/dbraw/zinc/54/14/86/553541486.db2.gz	LWWIPNSXVSSELU-UHFFFAOYSA-N	0	0	522.023	3.147	50	0		KGAARN
CC(C)(C)NC(=O)NC(=O)COC(=O)c1ccccc1OCC(=O)Nc1ccc(Br)cc1	ZINC000015912163	553541474	/nfs/dbraw/zinc/54/14/74/553541474.db2.gz	ADWUCFXKGPCBCE-UHFFFAOYSA-N	0	0	506.353	3.248	50	0		KGAARN
C[C@@H](Oc1ccc2c(c1)oc(=O)c1c2CCCCC1)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1	ZINC000015913174	553542114	/nfs/dbraw/zinc/54/21/14/553542114.db2.gz	TXVMJEBOILTCGG-GOSISDBHSA-N	0	0	526.611	3.489	50	0		KGAARN
C[C@H](Oc1ccc2c(c1)oc(=O)c1c2CCCCC1)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1	ZINC000015913176	553542089	/nfs/dbraw/zinc/54/20/89/553542089.db2.gz	TXVMJEBOILTCGG-SFHVURJKSA-N	0	0	526.611	3.489	50	0		KGAARN
COc1ccc(NC(=O)CN2C(=O)[C@@H]3CCCC[C@H]3C2=O)cc1S(=O)(=O)Nc1ccccc1Cl	ZINC000015913937	553542283	/nfs/dbraw/zinc/54/22/83/553542283.db2.gz	QUYCOAFRYYQNME-HZPDHXFCSA-N	0	0	505.980	3.263	50	0		KGAARN
COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3ccccc3C(=O)N3CCOCC3)cc2)cc1	ZINC000015919240	553542265	/nfs/dbraw/zinc/54/22/65/553542265.db2.gz	QACKZZVXFNSYKY-UHFFFAOYSA-N	0	0	509.584	3.245	50	0		KGAARN
O=C([C@@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1)N1CCN(Cc2ccccc2)CC1	ZINC000015919274	553542233	/nfs/dbraw/zinc/54/22/33/553542233.db2.gz	QDWRYKRMAKJIGF-HXUWFJFHSA-N	0	0	506.466	3.194	50	0		KGAARN
O=C([C@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1)N1CCN(Cc2ccccc2)CC1	ZINC000015919275	553542184	/nfs/dbraw/zinc/54/21/84/553542184.db2.gz	QDWRYKRMAKJIGF-FQEVSTJZSA-N	0	0	506.466	3.194	50	0		KGAARN
COc1ccc(CCNC(=O)CN(c2ccc(OC)c(OC)c2)S(=O)(=O)c2ccccc2)cc1OC	ZINC000015919295	553542254	/nfs/dbraw/zinc/54/22/54/553542254.db2.gz	BJNSWSYHKBQCBQ-UHFFFAOYSA-N	0	0	514.600	3.275	50	0		KGAARN
COc1ccc(NS(=O)(=O)c2cccc(C(=O)NC[C@H](c3ccc(F)cc3)N3CCOCC3)c2)cc1	ZINC000015934615	553542520	/nfs/dbraw/zinc/54/25/20/553542520.db2.gz	NTSGWAOORVBCCT-RUZDIDTESA-N	0	0	513.591	3.438	50	0		KGAARN
COc1ccc(NS(=O)(=O)c2cccc(C(=O)NC[C@@H](c3ccc(F)cc3)N3CCOCC3)c2)cc1	ZINC000015934616	553542623	/nfs/dbraw/zinc/54/26/23/553542623.db2.gz	NTSGWAOORVBCCT-VWLOTQADSA-N	0	0	513.591	3.438	50	0		KGAARN
CN(CC(=O)Nc1cccc(F)c1)C(=O)c1cccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)c1	ZINC000015934648	553542675	/nfs/dbraw/zinc/54/26/75/553542675.db2.gz	JFHXPUKYOPMJFY-UHFFFAOYSA-N	0	0	510.591	3.047	50	0		KGAARN
CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)c1	ZINC000015934708	553542670	/nfs/dbraw/zinc/54/26/70/553542670.db2.gz	ABBBTFKZOLNWIP-UHFFFAOYSA-N	0	0	513.641	3.049	50	0		KGAARN
CC[C@@H](C)c1ccccc1N1C[C@@H](C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2OC)CC1=O	ZINC000015934919	553542660	/nfs/dbraw/zinc/54/26/60/553542660.db2.gz	DQJRTHFUHHFSFG-MOPGFXCFSA-N	0	0	515.632	3.221	50	0		KGAARN
CC[C@H](C)c1ccccc1N1C[C@@H](C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2OC)CC1=O	ZINC000015934920	553542787	/nfs/dbraw/zinc/54/27/87/553542787.db2.gz	DQJRTHFUHHFSFG-OALUTQOASA-N	0	0	515.632	3.221	50	0		KGAARN
CC[C@@H](C)c1ccccc1N1C[C@H](C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2OC)CC1=O	ZINC000015934921	553542827	/nfs/dbraw/zinc/54/28/27/553542827.db2.gz	DQJRTHFUHHFSFG-RTBURBONSA-N	0	0	515.632	3.221	50	0		KGAARN
CC[C@H](C)c1ccccc1N1C[C@H](C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2OC)CC1=O	ZINC000015934922	553542830	/nfs/dbraw/zinc/54/28/30/553542830.db2.gz	DQJRTHFUHHFSFG-RBUKOAKNSA-N	0	0	515.632	3.221	50	0		KGAARN
COc1ccc(NS(=O)(=O)c2cccc(C(=O)N3CCN(Cc4cc(OC)ccc4OC)CC3)c2)cc1	ZINC000015934949	553542806	/nfs/dbraw/zinc/54/28/06/553542806.db2.gz	NOVSFNMUSOAOCW-UHFFFAOYSA-N	0	0	525.627	3.471	50	0		KGAARN
COc1ccccc1C(=O)N/C(=C\c1cn(S(=O)(=O)N(C)C)c2ccccc12)C(=O)N1CCCCC1	ZINC000015936421	553542822	/nfs/dbraw/zinc/54/28/22/553542822.db2.gz	TXOHEXPVKKXXHB-XLNRJJMWSA-N	0	0	510.616	3.088	50	0		KGAARN
CN(C)S(=O)(=O)n1cc(/C=C(\NC(=O)c2ccccc2Cl)C(=O)N2CCCC2)c2ccccc21	ZINC000015936424	553543087	/nfs/dbraw/zinc/54/30/87/553543087.db2.gz	BIXGZFSUBFKXTC-QNGOZBTKSA-N	0	0	501.008	3.343	50	0		KGAARN
CCOC(=O)N1CCC(NC(=O)CN(c2ccc(C(C)C)cc2)S(=O)(=O)c2c(C)nn(C)c2C)CC1	ZINC000015936959	553543105	/nfs/dbraw/zinc/54/31/05/553543105.db2.gz	REEWSHWVMQGCHD-UHFFFAOYSA-N	0	0	519.668	3.093	50	0		KGAARN
CC(C)Oc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CN1C(=O)N[C@@](C)(c2ccccc2)C1=O	ZINC000015940540	553543242	/nfs/dbraw/zinc/54/32/42/553543242.db2.gz	XGBQNKXHCNBWGV-SANMLTNESA-N	0	0	528.631	3.054	50	0		KGAARN
CC(C)Oc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CN1C(=O)N[C@](C)(c2ccccc2)C1=O	ZINC000015940542	553543266	/nfs/dbraw/zinc/54/32/66/553543266.db2.gz	XGBQNKXHCNBWGV-AREMUKBSSA-N	0	0	528.631	3.054	50	0		KGAARN
CCCCN(C(=O)c1ccc(N(C)S(=O)(=O)c2ccc(C)cc2)cc1)c1c(N)n(CCC)c(=O)[nH]c1=O	ZINC000015940764	553543432	/nfs/dbraw/zinc/54/34/32/553543432.db2.gz	JFONJBQLKPHWOM-UHFFFAOYSA-N	0	0	527.647	3.109	50	0		KGAARN
CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1	ZINC000015940952	553543431	/nfs/dbraw/zinc/54/34/31/553543431.db2.gz	BDKPQLZMYDFULD-UHFFFAOYSA-N	0	0	504.996	3.463	50	0		KGAARN
CCOc1ccc(CCNC(=O)c2cc(=O)[nH]c3ccc(S(=O)(=O)N(CC)CC)cc32)cc1OCC	ZINC000015940974	553543415	/nfs/dbraw/zinc/54/34/15/553543415.db2.gz	WISPLZKAQGONFC-UHFFFAOYSA-N	0	0	515.632	3.329	50	0		KGAARN
COc1cc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc4c(c3)CCCN4C(C)=O)C2)cc(OC)c1	ZINC000015941406	553543427	/nfs/dbraw/zinc/54/34/27/553543427.db2.gz	XNWDIQACIBHFFV-LJQANCHMSA-N	0	0	501.605	3.042	50	0		KGAARN
COc1cc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc4c(c3)CCCN4C(C)=O)C2)cc(OC)c1	ZINC000015941408	553543398	/nfs/dbraw/zinc/54/33/98/553543398.db2.gz	XNWDIQACIBHFFV-IBGZPJMESA-N	0	0	501.605	3.042	50	0		KGAARN
O=C(C1CCN(c2nnc(N3CCCC3=O)s2)CC1)N1CCN(c2cccc(C(F)(F)F)c2)CC1	ZINC000015942565	553543628	/nfs/dbraw/zinc/54/36/28/553543628.db2.gz	UNWOEIUOVKFJJB-UHFFFAOYSA-N	0	0	508.570	3.249	50	0		KGAARN
O=C(NCCCN1CCOCC1)c1ccc2c(c1)N(Cc1ccccc1)C(=O)c1ccccc1[S@@]2=O	ZINC000015944160	553543770	/nfs/dbraw/zinc/54/37/70/553543770.db2.gz	YOXRVYOOMNBADI-PSXMRANNSA-N	0	0	503.624	3.466	50	0		KGAARN
O=C(NCCCN1CCOCC1)c1ccc2c(c1)N(Cc1ccccc1)C(=O)c1ccccc1[S@]2=O	ZINC000015944162	553543837	/nfs/dbraw/zinc/54/38/37/553543837.db2.gz	YOXRVYOOMNBADI-BHVANESWSA-N	0	0	503.624	3.466	50	0		KGAARN
COC(=O)[C@@H]1Cc2c3ccccc3[nH]c2CN1C(=O)CSc1nnc([C@@H](C)NC(=O)OC(C)(C)C)o1	ZINC000015956710	553546296	/nfs/dbraw/zinc/54/62/96/553546296.db2.gz	UABGSVNDWOGHBM-ACJLOTCBSA-N	0	0	515.592	3.355	50	0		KGAARN
COC(=O)[C@H]1Cc2c3ccccc3[nH]c2CN1C(=O)CSc1nnc([C@@H](C)NC(=O)OC(C)(C)C)o1	ZINC000015956711	553546336	/nfs/dbraw/zinc/54/63/36/553546336.db2.gz	UABGSVNDWOGHBM-FZKQIMNGSA-N	0	0	515.592	3.355	50	0		KGAARN
COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CN1CC[C@@]2(O)CCCC[C@@H]2[C@@H]1c1ccc(O)c(OC)c1	ZINC000015959904	553546887	/nfs/dbraw/zinc/54/68/87/553546887.db2.gz	GTSHSTJFTSYFBU-VENHOMKASA-N	0	0	535.641	3.451	50	0	biogenic,in-vitro	KGAARN
COc1ccc(Br)cc1CNC(=O)[C@@H]1CCCN(S(=O)(=O)N2C[C@H](C)C[C@H](C)C2)C1	ZINC000015962886	553547164	/nfs/dbraw/zinc/54/71/64/553547164.db2.gz	JZOKEEYHRYFDNI-IXDOHACOSA-N	0	0	502.475	3.009	50	0		KGAARN
COc1ccc(Br)cc1CNC(=O)[C@H]1CCCN(S(=O)(=O)N2C[C@H](C)C[C@H](C)C2)C1	ZINC000015962887	553547153	/nfs/dbraw/zinc/54/71/53/553547153.db2.gz	JZOKEEYHRYFDNI-BBWFWOEESA-N	0	0	502.475	3.009	50	0		KGAARN
COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CN1CC[C@@]2(O)CCCC[C@@H]2[C@@H]1c1ccc2c(c1)OCO2	ZINC000015968601	553547137	/nfs/dbraw/zinc/54/71/37/553547137.db2.gz	HIHNMCOMSIMZIS-VENHOMKASA-N	0	0	533.625	3.465	50	0	biogenic	KGAARN
C[C@H](NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@H]2c3ccccc3C(=O)N21)C(=O)NCc1ccc2c(c1)OCO2	ZINC000015970210	553547575	/nfs/dbraw/zinc/54/75/75/553547575.db2.gz	WGQJDHGVFDLOAU-HNVUPHGUSA-N	0	0	522.561	3.188	50	0	biogenic	KGAARN
CSCC[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1)C(=O)Nc1ccc(F)cc1	ZINC000015975122	553547832	/nfs/dbraw/zinc/54/78/32/553547832.db2.gz	OWXKARNNFXLIHD-JOCHJYFZSA-N	0	0	507.653	3.411	50	0		KGAARN
NS(=O)(=O)c1cccc(NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccccc2Cl)c1	ZINC000015978570	553548193	/nfs/dbraw/zinc/54/81/93/553548193.db2.gz	FVFYXALBVIXJFT-UHFFFAOYSA-N	0	0	500.989	3.417	50	0		KGAARN
COc1ccc(NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1S(=O)(=O)N1CCOCC1	ZINC000015979465	553548312	/nfs/dbraw/zinc/54/83/12/553548312.db2.gz	FVIWFCBBSYPKFQ-UHFFFAOYSA-N	0	0	514.931	3.189	50	0		KGAARN
O=C(CCc1nc2ccccc2n(CCc2ccccc2)c1=O)OCC(=O)N1CCN(c2ccccc2)CC1	ZINC000015979919	553548323	/nfs/dbraw/zinc/54/83/23/553548323.db2.gz	YVQGDOGKTQIBAI-UHFFFAOYSA-N	0	0	524.621	3.464	50	0		KGAARN
COc1ccc(/C=C2\SC(=O)N(CCNC(=O)CCS(=O)(=O)c3ccc(Cl)cc3)C2=O)cc1	ZINC000015980165	1059138354	/nfs/dbraw/zinc/13/83/54/1059138354.db2.gz	QYTQYDUICYNHBD-RGEXLXHISA-N	0	0	509.005	3.365	50	0		KGAARN
Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)COC(=O)c1ccccc1C(=O)c1ccccc1	ZINC000015981243	553548895	/nfs/dbraw/zinc/54/88/95/553548895.db2.gz	WZZHHVVOFKSQFG-UHFFFAOYSA-N	0	0	522.579	3.042	50	0		KGAARN
Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)COC(=O)c1c2ccccc2nc2c1CCCC2	ZINC000015981789	553548973	/nfs/dbraw/zinc/54/89/73/553548973.db2.gz	FWAPQKYCDZDKCH-UHFFFAOYSA-N	0	0	523.611	3.238	50	0		KGAARN
COCCn1c(-c2ccc(Cl)cc2)nn(CN2CCN(S(=O)(=O)c3ccccc3)CC2)c1=S	ZINC000015982083	553549022	/nfs/dbraw/zinc/54/90/22/553549022.db2.gz	BAQJSWLAZGZDBI-UHFFFAOYSA-N	0	0	508.069	3.345	50	0		KGAARN
O=C(/C=C/c1ccco1)Oc1ccc(Br)cc1C=NNC(=O)CNC(=O)c1ccccc1O	ZINC000015986084	553549269	/nfs/dbraw/zinc/54/92/69/553549269.db2.gz	WEXVUGIGQBDHQT-MCKHJNRCSA-N	0	0	512.316	3.247	50	0		KGAARN
COc1ccc(NC(=O)[C@H](NC(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)C(C)C)c(OC)c1	ZINC000015987064	553549242	/nfs/dbraw/zinc/54/92/42/553549242.db2.gz	SIICPLPRFILUHN-XMMPIXPASA-N	0	0	517.648	3.192	50	0		KGAARN
COc1ccc(C(=O)C2=C3C(O)N(c4ccc(C(N)=O)cc4)C(=O)[C@@H]3[C@H]3c4ccccc4C=CN23)cc1OC	ZINC000015989869	553549237	/nfs/dbraw/zinc/54/92/37/553549237.db2.gz	ZYMWPZDACIINEO-QUMGSSFMSA-N	0	0	523.545	3.201	50	0		KGAARN
COc1ccc(S(=O)(=O)N[C@H](Cc2ccc(Cl)cc2)C(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)cc1	ZINC000016007626	553550519	/nfs/dbraw/zinc/55/05/19/553550519.db2.gz	BRLXVACIWXCCKZ-NIDLKEISSA-N	0	0	507.052	3.392	50	0		KGAARN
COc1ccc(S(=O)(=O)N[C@H](Cc2ccc(Cl)cc2)C(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)cc1	ZINC000016007630	553550486	/nfs/dbraw/zinc/55/04/86/553550486.db2.gz	BRLXVACIWXCCKZ-RZPHLTDDSA-N	0	0	507.052	3.392	50	0		KGAARN
COCCNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@H]2c3ccccc3C(=O)N21	ZINC000016025833	553551358	/nfs/dbraw/zinc/55/13/58/553551358.db2.gz	ABHBZGBIYXUPCY-UNCTUWKVSA-N	0	0	522.605	3.128	50	0	biogenic	KGAARN
COCCNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1Cc2c3ccccc3[nH]c2[C@H]2c3ccccc3C(=O)N21	ZINC000016025838	553551402	/nfs/dbraw/zinc/55/14/02/553551402.db2.gz	ABHBZGBIYXUPCY-ZRRKCSAHSA-N	0	0	522.605	3.128	50	0		KGAARN
CCCCCCOc1ccc(O[C@@H]2O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]2OC(C)=O)cc1	ZINC000016028219	553551395	/nfs/dbraw/zinc/55/13/95/553551395.db2.gz	SAIBZJRVPYUMMD-LFEPYJTBSA-N	0	0	524.563	3.108	50	0	biogenic	KGAARN
COCCCNC(=O)[C@H](CC(C)C)NC(=O)[C@H]1Cc2c3ccccc3[nH]c2[C@H]2c3ccccc3C(=O)N21	ZINC000016033101	553551631	/nfs/dbraw/zinc/55/16/31/553551631.db2.gz	UDVYPIVONXPYJD-BFLUCZKCSA-N	0	0	502.615	3.321	50	0		KGAARN
COc1cc(OC)c(NC(=O)[C@@H](C)NC(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1Cl	ZINC000016033445	553551599	/nfs/dbraw/zinc/55/15/99/553551599.db2.gz	RAMCGARIHPCXDH-MRXNPFEDSA-N	0	0	524.039	3.210	50	0		KGAARN
CCCc1nn(C)c2c1nc(-c1cc(S(=O)(=O)N[C@H](C)[C@H](O)c3ccccc3)ccc1OCC)[nH]c2=O	ZINC000016034936	553551700	/nfs/dbraw/zinc/55/17/00/553551700.db2.gz	ZKVRMCFRPFXFQM-GYCJOSAFSA-N	0	0	525.631	3.075	50	0		KGAARN
O=C(CNc1cc(S(=O)(=O)N2CCCC2)ccc1OCC(F)(F)F)Nc1ccc2c(c1)OCCO2	ZINC000016035619	553552151	/nfs/dbraw/zinc/55/21/51/553552151.db2.gz	GVDYYZIAYCGRHT-UHFFFAOYSA-N	0	0	515.510	3.234	50	0		KGAARN
CCN(CC)S(=O)(=O)c1cc(NC(=O)CSc2nc3ccccc3c(=O)n2CCOC)ccc1C	ZINC000016035694	553552356	/nfs/dbraw/zinc/55/23/56/553552356.db2.gz	XXSNBFMNJJPGCC-UHFFFAOYSA-N	0	0	518.661	3.113	50	0		KGAARN
Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCC[C@@H]3C(=O)NCc3ccccc3Cl)CC2)cc1	ZINC000016039366	553552707	/nfs/dbraw/zinc/55/27/07/553552707.db2.gz	KIZMSSLPKSPYIT-HSZRJFAPSA-N	0	0	504.052	3.357	50	0		KGAARN
COC(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)OCC(=O)Nc2ccc(C(C)(C)C)cc2)CC1	ZINC000016043487	553553076	/nfs/dbraw/zinc/55/30/76/553553076.db2.gz	BBQIHKJAHNNUND-UHFFFAOYSA-N	0	0	516.616	3.353	50	0		KGAARN
COc1cc(/C=C/C(=O)OCC(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2Cl)cc(Cl)c1OC	ZINC000016043518	553553103	/nfs/dbraw/zinc/55/31/03/553553103.db2.gz	FOARWVVJIIOQMB-VMPITWQZSA-N	0	0	517.387	3.456	50	0		KGAARN
COC(=O)c1c(C)c(C)sc1NC(=O)CN1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1	ZINC000016043529	553553097	/nfs/dbraw/zinc/55/30/97/553553097.db2.gz	PWGFKAQWPRRBGD-UHFFFAOYSA-N	0	0	519.567	3.115	50	0		KGAARN
C[C@H](OC(=O)c1ccc(Cl)c(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)c1)C(=O)Nc1ccc2c(c1)OCO2	ZINC000016043602	553553293	/nfs/dbraw/zinc/55/32/93/553553293.db2.gz	RVKPSTBESXCSSF-KFWWJZLASA-N	0	0	524.979	3.051	50	0		KGAARN
C[C@H](OC(=O)c1ccc(Cl)c(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)c1)C(=O)Nc1ccc2c(c1)OCO2	ZINC000016043603	553553242	/nfs/dbraw/zinc/55/32/42/553553242.db2.gz	RVKPSTBESXCSSF-ZNMIVQPWSA-N	0	0	524.979	3.051	50	0		KGAARN
C[C@@H](OC(=O)c1ccc(Cl)c(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)c1)C(=O)Nc1ccc2c(c1)OCO2	ZINC000016043604	553553308	/nfs/dbraw/zinc/55/33/08/553553308.db2.gz	RVKPSTBESXCSSF-RBSFLKMASA-N	0	0	524.979	3.051	50	0		KGAARN
C[C@@H](OC(=O)c1ccc(Cl)c(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)c1)C(=O)Nc1ccc2c(c1)OCO2	ZINC000016043605	553553253	/nfs/dbraw/zinc/55/32/53/553553253.db2.gz	RVKPSTBESXCSSF-QLFBSQMISA-N	0	0	524.979	3.051	50	0		KGAARN
O=C(COC(=O)C[C@@H]1Sc2ccccc2NC1=O)Nc1cccc(S(=O)(=O)N2CCCCCC2)c1	ZINC000016043626	553553276	/nfs/dbraw/zinc/55/32/76/553553276.db2.gz	AGBWJWZRJWZLMR-NRFANRHFSA-N	0	0	517.629	3.236	50	0		KGAARN
O=C(COC(=O)C[C@H]1Sc2ccccc2NC1=O)Nc1cccc(S(=O)(=O)N2CCCCCC2)c1	ZINC000016043627	553553227	/nfs/dbraw/zinc/55/32/27/553553227.db2.gz	AGBWJWZRJWZLMR-OAQYLSRUSA-N	0	0	517.629	3.236	50	0		KGAARN
C[C@@H]1CCc2c(C(=O)OCC(=O)Nc3cc(S(=O)(=O)N4CCOCC4)ccc3Cl)csc2C1	ZINC000016043886	553553444	/nfs/dbraw/zinc/55/34/44/553553444.db2.gz	GWMRWIHDTZQSGN-CQSZACIVSA-N	0	0	513.037	3.343	50	0		KGAARN
C[C@H]1CCc2c(C(=O)OCC(=O)Nc3cc(S(=O)(=O)N4CCOCC4)ccc3Cl)csc2C1	ZINC000016043887	553553430	/nfs/dbraw/zinc/55/34/30/553553430.db2.gz	GWMRWIHDTZQSGN-AWEZNQCLSA-N	0	0	513.037	3.343	50	0		KGAARN
CCOC(=O)N1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(Cl)c(C(F)(F)F)c3)CC2)CC1	ZINC000016043949	553553410	/nfs/dbraw/zinc/55/34/10/553553410.db2.gz	OYDWYYCUPULFTH-UHFFFAOYSA-N	0	0	511.950	3.060	50	0		KGAARN
CCN(C(=O)CSc1nnc(-c2ccccc2F)n1CCc1ccccc1)[C@@H]1CCS(=O)(=O)C1	ZINC000016044060	553553580	/nfs/dbraw/zinc/55/35/80/553553580.db2.gz	WWXRSZRFOSQPGD-LJQANCHMSA-N	0	0	502.637	3.455	50	0		KGAARN
CCN(C(=O)CSc1nnc(-c2ccccc2F)n1CCc1ccccc1)[C@H]1CCS(=O)(=O)C1	ZINC000016044061	553553657	/nfs/dbraw/zinc/55/36/57/553553657.db2.gz	WWXRSZRFOSQPGD-IBGZPJMESA-N	0	0	502.637	3.455	50	0		KGAARN
Cc1cc(C(=O)COC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)c(C)n1CC(F)(F)F	ZINC000016044232	553553748	/nfs/dbraw/zinc/55/37/48/553553748.db2.gz	BMQBZTXWJIZLNF-UHFFFAOYSA-N	0	0	516.538	3.047	50	0		KGAARN
C[C@@H]1CN(S(=O)(=O)c2cc(C(=O)OCC(=O)N[C@@H]3CCCc4ccccc43)ccc2Cl)C[C@@H](C)O1	ZINC000016044376	553553985	/nfs/dbraw/zinc/55/39/85/553553985.db2.gz	KFIUPJFSEHTTRV-DRSNIGMVSA-N	0	0	521.035	3.489	50	0		KGAARN
C[C@@H]1CN(S(=O)(=O)c2cc(C(=O)OCC(=O)N[C@@H]3CCCc4ccccc43)ccc2Cl)C[C@H](C)O1	ZINC000016044377	553553948	/nfs/dbraw/zinc/55/39/48/553553948.db2.gz	KFIUPJFSEHTTRV-HYFFOGBASA-N	0	0	521.035	3.489	50	0		KGAARN
C[C@@H]1CN(S(=O)(=O)c2cc(C(=O)OCC(=O)N[C@H]3CCCc4ccccc43)ccc2Cl)C[C@@H](C)O1	ZINC000016044378	553553972	/nfs/dbraw/zinc/55/39/72/553553972.db2.gz	KFIUPJFSEHTTRV-YVHKJVDXSA-N	0	0	521.035	3.489	50	0		KGAARN
C[C@@H]1CN(S(=O)(=O)c2cc(C(=O)OCC(=O)N[C@H]3CCCc4ccccc43)ccc2Cl)C[C@H](C)O1	ZINC000016044379	553553944	/nfs/dbraw/zinc/55/39/44/553553944.db2.gz	KFIUPJFSEHTTRV-JKSBSHDWSA-N	0	0	521.035	3.489	50	0		KGAARN
CC[C@@H](C)N(C(=O)CSc1nc2ccccc2c(=O)n1-c1ccccc1OC)[C@@H]1CCS(=O)(=O)C1	ZINC000016044435	553553951	/nfs/dbraw/zinc/55/39/51/553553951.db2.gz	IQJAOPZETUAGDY-QZTJIDSGSA-N	0	0	515.657	3.301	50	0		KGAARN
CC[C@H](C)N(C(=O)CSc1nc2ccccc2c(=O)n1-c1ccccc1OC)[C@@H]1CCS(=O)(=O)C1	ZINC000016044436	553553974	/nfs/dbraw/zinc/55/39/74/553553974.db2.gz	IQJAOPZETUAGDY-ZWKOTPCHSA-N	0	0	515.657	3.301	50	0		KGAARN
CC[C@@H](C)N(C(=O)CSc1nc2ccccc2c(=O)n1-c1ccccc1OC)[C@H]1CCS(=O)(=O)C1	ZINC000016044437	553553990	/nfs/dbraw/zinc/55/39/90/553553990.db2.gz	IQJAOPZETUAGDY-MSOLQXFVSA-N	0	0	515.657	3.301	50	0		KGAARN
CC[C@H](C)N(C(=O)CSc1nc2ccccc2c(=O)n1-c1ccccc1OC)[C@H]1CCS(=O)(=O)C1	ZINC000016044438	553553995	/nfs/dbraw/zinc/55/39/95/553553995.db2.gz	IQJAOPZETUAGDY-ROUUACIJSA-N	0	0	515.657	3.301	50	0		KGAARN
CCOC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)OC(=O)CCNS(=O)(=O)c2cccc(C(F)(F)F)c2)c1C	ZINC000016044454	553554052	/nfs/dbraw/zinc/55/40/52/553554052.db2.gz	HCEVVSDOAXKIGI-CQSZACIVSA-N	0	0	518.510	3.310	50	0		KGAARN
CCOC(=O)c1c(C)[nH]c(C(=O)[C@H](C)OC(=O)CCNS(=O)(=O)c2cccc(C(F)(F)F)c2)c1C	ZINC000016044455	553554065	/nfs/dbraw/zinc/55/40/65/553554065.db2.gz	HCEVVSDOAXKIGI-AWEZNQCLSA-N	0	0	518.510	3.310	50	0		KGAARN
CCN(CC)S(=O)(=O)c1ccc(Cl)c(NC(=O)CSc2nnc(-c3ccc(OC)cc3)n2N)c1	ZINC000016044548	553554043	/nfs/dbraw/zinc/55/40/43/553554043.db2.gz	ULMHBYLNOAALFH-UHFFFAOYSA-N	0	0	525.056	3.082	50	0		KGAARN
O=C(/C=C/c1ccc(S(=O)(=O)N2CCOCC2)cc1)Nc1ccccc1C(=O)NCCc1ccccc1	ZINC000016044766	553554289	/nfs/dbraw/zinc/55/42/89/553554289.db2.gz	UOMFGRYVYQZBEO-NTCAYCPXSA-N	0	0	519.623	3.332	50	0		KGAARN
Cc1ccc(NC(=O)COC(=O)CCSc2ccc(Cl)cc2)cc1S(=O)(=O)N1CCOCC1	ZINC000016044801	553554310	/nfs/dbraw/zinc/55/43/10/553554310.db2.gz	NIZHJYJJBHLBHS-UHFFFAOYSA-N	0	0	513.037	3.333	50	0		KGAARN
CCc1ccc(OCc2nnc(SCC(=O)N[C@@H]3CCS(=O)(=O)C3)n2[C@@H](C)c2ccccc2)cc1	ZINC000016044876	553554423	/nfs/dbraw/zinc/55/44/23/553554423.db2.gz	LYIXVBQSIXFVBN-GHTZIAJQSA-N	0	0	514.673	3.424	50	0		KGAARN
CCc1ccc(OCc2nnc(SCC(=O)N[C@H]3CCS(=O)(=O)C3)n2[C@@H](C)c2ccccc2)cc1	ZINC000016044877	553554443	/nfs/dbraw/zinc/55/44/43/553554443.db2.gz	LYIXVBQSIXFVBN-RXVVDRJESA-N	0	0	514.673	3.424	50	0		KGAARN
CCc1ccc(OCc2nnc(SCC(=O)N[C@@H]3CCS(=O)(=O)C3)n2[C@H](C)c2ccccc2)cc1	ZINC000016044878	553554387	/nfs/dbraw/zinc/55/43/87/553554387.db2.gz	LYIXVBQSIXFVBN-WIYYLYMNSA-N	0	0	514.673	3.424	50	0		KGAARN
CCc1ccc(OCc2nnc(SCC(=O)N[C@H]3CCS(=O)(=O)C3)n2[C@H](C)c2ccccc2)cc1	ZINC000016044879	553554453	/nfs/dbraw/zinc/55/44/53/553554453.db2.gz	LYIXVBQSIXFVBN-NQIIRXRSSA-N	0	0	514.673	3.424	50	0		KGAARN
CCOC(=O)C1=C(CSc2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)NC(=O)N[C@@H]1c1ccccc1	ZINC000016047224	553554659	/nfs/dbraw/zinc/55/46/59/553554659.db2.gz	UUCKGMQCPOFVKU-HXUWFJFHSA-N	0	0	502.556	3.485	50	0		KGAARN
CCOC(=O)C1=C(CSc2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)NC(=O)N[C@H]1c1ccccc1	ZINC000016047225	553554642	/nfs/dbraw/zinc/55/46/42/553554642.db2.gz	UUCKGMQCPOFVKU-FQEVSTJZSA-N	0	0	502.556	3.485	50	0		KGAARN
CCC(=O)Nc1nnc(SCc2cc(=O)c(OC(=O)c3cc(OC)c(OC)c(OC)c3)co2)s1	ZINC000016047770	553554624	/nfs/dbraw/zinc/55/46/24/553554624.db2.gz	JKPFEGGVPKZNLY-UHFFFAOYSA-N	0	0	507.546	3.377	50	0		KGAARN
COc1cc(C(=O)Oc2coc(CSc3nnc(NC(=O)C4CC4)s3)cc2=O)cc(OC)c1OC	ZINC000016047822	553554609	/nfs/dbraw/zinc/55/46/09/553554609.db2.gz	XTWBLHBINXYQPG-UHFFFAOYSA-N	0	0	519.557	3.377	50	0		KGAARN
COC(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)OCc2cc(=O)oc3cc4c(cc23)CCC4)CC1	ZINC000016050325	553554793	/nfs/dbraw/zinc/55/47/93/553554793.db2.gz	KGJYPGCPZBHOAG-UHFFFAOYSA-N	0	0	525.579	3.212	50	0		KGAARN
[NH3+][C@@H](Cc1ccc(Oc2ccc(O)c(I)c2)c(I)c1)C(=O)[O-]	ZINC000016051523	553555121	/nfs/dbraw/zinc/55/51/21/553555121.db2.gz	CPCJBZABTUOGNM-LBPRGKRZSA-N	0	0	525.080	3.348	50	0	in-vitro	KGAARN
CCOC(=O)c1sc(NC(=O)[C@@H]2CC[C@@H](C(=O)Nc3nc(C)c(C(=O)OCC)s3)S2)nc1C	ZINC000016133949	1060023953	/nfs/dbraw/zinc/02/39/53/1060023953.db2.gz	CJZGBYPNQCLHLH-RYUDHWBXSA-N	0	0	512.635	3.411	50	0		KGAARN
CCOC(=O)c1sc(NC(=O)[C@H]2CC[C@@H](C(=O)Nc3nc(C)c(C(=O)OCC)s3)S2)nc1C	ZINC000016133951	1060024087	/nfs/dbraw/zinc/02/40/87/1060024087.db2.gz	CJZGBYPNQCLHLH-TXEJJXNPSA-N	0	0	512.635	3.411	50	0		KGAARN
CCOC(=O)c1sc(NC(=O)[C@H]2CC[C@H](C(=O)Nc3nc(C)c(C(=O)OCC)s3)S2)nc1C	ZINC000016133952	1060024044	/nfs/dbraw/zinc/02/40/44/1060024044.db2.gz	CJZGBYPNQCLHLH-VXGBXAGGSA-N	0	0	512.635	3.411	50	0		KGAARN
COc1ccc(OC)c(N(CC(=O)Nc2ccccc2C(=O)NCCc2ccccc2)S(C)(=O)=O)c1	ZINC000016215300	553556808	/nfs/dbraw/zinc/55/68/08/553556808.db2.gz	HNIWGWQLSQXNET-UHFFFAOYSA-N	0	0	511.600	3.081	50	0		KGAARN
COc1ccc(N(CC(=O)Nc2ccccc2C(=O)NCCc2ccccc2)S(C)(=O)=O)c(OC)c1	ZINC000016215537	553556844	/nfs/dbraw/zinc/55/68/44/553556844.db2.gz	NJRJDRKVRJKMLK-UHFFFAOYSA-N	0	0	511.600	3.081	50	0		KGAARN
COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2C(=O)N2CCOCC2)c2ccccc2)cc1	ZINC000016217284	553557013	/nfs/dbraw/zinc/55/70/13/553557013.db2.gz	ITVQRARWLLBBKH-UHFFFAOYSA-N	0	0	509.584	3.002	50	0		KGAARN
COc1ccc(N(CC(=O)N2CCN(Cc3ccccc3)CC2)S(=O)(=O)c2ccccc2)cc1OC	ZINC000016227485	553557343	/nfs/dbraw/zinc/55/73/43/553557343.db2.gz	HFKGGGBGTOXATR-UHFFFAOYSA-N	0	0	509.628	3.244	50	0		KGAARN
COc1ccc(N(CC(=O)N2CCN(c3ccccc3F)CC2)S(=O)(=O)c2ccccc2)cc1OC	ZINC000016227487	553557528	/nfs/dbraw/zinc/55/75/28/553557528.db2.gz	ZWNVBAQYYFBRCR-UHFFFAOYSA-N	0	0	513.591	3.387	50	0		KGAARN
COc1ccc(S(=O)(=O)N(CC(=O)N2CCN(Cc3ccccc3)CC2)c2ccccc2)cc1OC	ZINC000016227518	553557541	/nfs/dbraw/zinc/55/75/41/553557541.db2.gz	IZUMMYHFGVPXPO-UHFFFAOYSA-N	0	0	509.628	3.244	50	0		KGAARN
COc1cccc(N(CC(=O)Nc2ccccc2C(=O)N2CCOCC2)S(=O)(=O)c2ccccc2)c1	ZINC000016228036	553557530	/nfs/dbraw/zinc/55/75/30/553557530.db2.gz	UIDDNYQXXVNVCU-UHFFFAOYSA-N	0	0	509.584	3.002	50	0		KGAARN
COc1ccccc1N1CCN(C(=O)CN(c2cc(C(F)(F)F)ccc2Cl)S(C)(=O)=O)CC1	ZINC000016248051	553557690	/nfs/dbraw/zinc/55/76/90/553557690.db2.gz	AJXLYGHECCJIJE-UHFFFAOYSA-N	0	0	505.946	3.482	50	0		KGAARN
CS(=O)(=O)N(CC(=O)Nc1ccccc1C(=O)N1CCOCC1)c1cc(C(F)(F)F)ccc1Cl	ZINC000016248382	553557681	/nfs/dbraw/zinc/55/76/81/553557681.db2.gz	TVZQFYZLKGRBFR-UHFFFAOYSA-N	0	0	519.929	3.236	50	0		KGAARN
COc1cccc(NC(=O)CN(c2c(C)n(C)n(-c3ccccc3)c2=O)S(=O)(=O)c2ccccc2)c1	ZINC000016249131	553557700	/nfs/dbraw/zinc/55/77/00/553557700.db2.gz	GENSEELTHDKACM-UHFFFAOYSA-N	0	0	506.584	3.327	50	0		KGAARN
COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2C(=O)N2CCOCC2)c2ccc(C)cc2)cc1	ZINC000016292585	553559222	/nfs/dbraw/zinc/55/92/22/553559222.db2.gz	WTFGVFBTWCXFPG-UHFFFAOYSA-N	0	0	523.611	3.310	50	0		KGAARN
Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)cc2)cc1	ZINC000016293289	553559158	/nfs/dbraw/zinc/55/91/58/553559158.db2.gz	LXQWFFUMGZMRDS-UHFFFAOYSA-N	0	0	523.611	3.248	50	0		KGAARN
Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccc(S(=O)(=O)N4CCOCC4)cc3)cc2)cc1	ZINC000016310538	553559756	/nfs/dbraw/zinc/55/97/56/553559756.db2.gz	WIFGPPQYSNDHEJ-UHFFFAOYSA-N	0	0	515.613	3.069	50	0		KGAARN
CN1CCN(C(=O)CN(Cc2ccccc2Cl)S(=O)(=O)c2ccc(Br)cc2)CC1	ZINC000016319529	553560073	/nfs/dbraw/zinc/56/00/73/553560073.db2.gz	XCEIHYDWPBWXAB-UHFFFAOYSA-N	0	0	500.846	3.067	50	0		KGAARN
COc1ccc(N([C@@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)S(C)(=O)=O)cc1	ZINC000016322399	553560323	/nfs/dbraw/zinc/56/03/23/553560323.db2.gz	ASIVTZHMWKHMPU-INIZCTEOSA-N	0	0	521.592	3.428	50	0		KGAARN
COc1ccc(N([C@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)S(C)(=O)=O)cc1	ZINC000016322401	553560306	/nfs/dbraw/zinc/56/03/06/553560306.db2.gz	ASIVTZHMWKHMPU-MRXNPFEDSA-N	0	0	521.592	3.428	50	0		KGAARN
CCOc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2C(=O)NCCOC)c2ccccc2)cc1	ZINC000016345358	553560501	/nfs/dbraw/zinc/56/05/01/553560501.db2.gz	JSYLVVXFQWJZHS-UHFFFAOYSA-N	0	0	511.600	3.296	50	0		KGAARN
O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1	ZINC000016346156	553560636	/nfs/dbraw/zinc/56/06/36/553560636.db2.gz	PMFMDEKJWFRBTN-UHFFFAOYSA-N	0	0	517.604	3.444	50	0		KGAARN
CCOc1ccc(N(CC(=O)N2CCN(CC)CC2)S(=O)(=O)c2ccc(Br)cc2)cc1	ZINC000016346363	553560624	/nfs/dbraw/zinc/56/06/24/553560624.db2.gz	FSEHKBLBLDGRAA-UHFFFAOYSA-N	0	0	510.454	3.207	50	0		KGAARN
CCOc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)S(C)(=O)=O)cc1	ZINC000016346698	553560651	/nfs/dbraw/zinc/56/06/51/553560651.db2.gz	NEIXRUUWONPOKF-UHFFFAOYSA-N	0	0	509.650	3.055	50	0		KGAARN
CCN(CC)C(=O)c1sc(NC(=S)N2CCN(Cc3cnn(CC)c3C)CC2)c(C(=O)OC)c1C	ZINC000016361128	553560958	/nfs/dbraw/zinc/56/09/58/553560958.db2.gz	XNAAZXZHFAQLMX-UHFFFAOYSA-N	0	0	520.725	3.365	50	0		KGAARN
Cn1c(CNC(=O)c2ccc(Cl)cc2Cl)nnc1SCC(=O)N1CCN(c2ccccc2)CC1	ZINC000016361499	553560972	/nfs/dbraw/zinc/56/09/72/553560972.db2.gz	FRPVSVOFFXHLTL-UHFFFAOYSA-N	0	0	519.458	3.493	50	0		KGAARN
CCOC(=O)COc1c(Cl)cc([C@@H]2NC(=S)NC(C)=C2C(=O)NCc2ccccc2)cc1OC	ZINC000016361576	553561200	/nfs/dbraw/zinc/56/12/00/553561200.db2.gz	YUWYVLINISQZQZ-NRFANRHFSA-N	0	0	504.008	3.400	50	0		KGAARN
CCOC(=O)COc1c(Cl)cc([C@H]2NC(=S)NC(C)=C2C(=O)NCc2ccccc2)cc1OC	ZINC000016361577	553561216	/nfs/dbraw/zinc/56/12/16/553561216.db2.gz	YUWYVLINISQZQZ-OAQYLSRUSA-N	0	0	504.008	3.400	50	0		KGAARN
CC1=C(C(=O)Nc2ccccc2Cl)[C@@H](c2cc(Br)ccc2OCC(N)=O)NC(=S)N1	ZINC000016361672	553561222	/nfs/dbraw/zinc/56/12/22/553561222.db2.gz	HSKMNLGDYFOTPQ-GOSISDBHSA-N	0	0	509.813	3.398	50	0		KGAARN
CC1=C(C(=O)Nc2ccccc2Cl)[C@H](c2cc(Br)ccc2OCC(N)=O)NC(=S)N1	ZINC000016361674	553561231	/nfs/dbraw/zinc/56/12/31/553561231.db2.gz	HSKMNLGDYFOTPQ-SFHVURJKSA-N	0	0	509.813	3.398	50	0		KGAARN
O=C(CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1	ZINC000016393288	553562299	/nfs/dbraw/zinc/56/22/99/553562299.db2.gz	TXIXNKHRVXPQNI-UHFFFAOYSA-N	0	0	517.604	3.444	50	0		KGAARN
CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccc(F)c(Cl)c1	ZINC000016393484	553562270	/nfs/dbraw/zinc/56/22/70/553562270.db2.gz	OUFMSEFXJFQVAM-UHFFFAOYSA-N	0	0	504.005	3.058	50	0		KGAARN
CCN(CC)S(=O)(=O)c1ccc(NC(=O)CN(c2ccc(Cl)cc2Cl)S(C)(=O)=O)cc1	ZINC000016393917	553562251	/nfs/dbraw/zinc/56/22/51/553562251.db2.gz	UGOABNKRXZFKPT-UHFFFAOYSA-N	0	0	508.449	3.429	50	0		KGAARN
CCOC(=O)C1CCN(C(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)CC1	ZINC000016399609	553562394	/nfs/dbraw/zinc/56/23/94/553562394.db2.gz	PHZQGIRIQYFVJN-UHFFFAOYSA-N	0	0	525.023	3.354	50	0		KGAARN
Cc1ccccc1NS(=O)(=O)c1ccc(OCC(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1	ZINC000016399710	553562444	/nfs/dbraw/zinc/56/24/44/553562444.db2.gz	IHQVYHQLECVFIE-UHFFFAOYSA-N	0	0	523.611	3.248	50	0		KGAARN
CCOC(=O)C1CCN(C(=O)CN(C2CCCCC2)S(=O)(=O)c2ccc(OC)c(Cl)c2)CC1	ZINC000016400661	553562677	/nfs/dbraw/zinc/56/26/77/553562677.db2.gz	RLTBRNPYXQQRQF-UHFFFAOYSA-N	0	0	501.045	3.474	50	0		KGAARN
CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1ccc(F)c(Cl)c1	ZINC000016400793	553562612	/nfs/dbraw/zinc/56/26/12/553562612.db2.gz	LGCLKPZWJPACCH-UHFFFAOYSA-N	0	0	518.032	3.449	50	0		KGAARN
O=C(CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1	ZINC000016400860	553562672	/nfs/dbraw/zinc/56/26/72/553562672.db2.gz	JIIROGQGNVBCHD-UHFFFAOYSA-N	0	0	511.575	3.094	50	0		KGAARN
COCCNC(=O)c1ccccc1NC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(OC)cc1	ZINC000016425534	553563001	/nfs/dbraw/zinc/56/30/01/553563001.db2.gz	SAOYKCBOWHFXIA-UHFFFAOYSA-N	0	0	515.563	3.045	50	0		KGAARN
CS(=O)(=O)N(CC(=O)Nc1ccccc1C(=O)N1CCOCC1)c1ccc(OCc2ccccc2)cc1	ZINC000016425567	553563000	/nfs/dbraw/zinc/56/30/00/553563000.db2.gz	XTHIZZIYZMNMEV-UHFFFAOYSA-N	0	0	523.611	3.143	50	0		KGAARN
CCOC(=O)C1CCN(C(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(OC)c(Cl)c2)CC1	ZINC000016426252	553563003	/nfs/dbraw/zinc/56/30/03/553563003.db2.gz	GLQAORLEVYLALJ-UHFFFAOYSA-N	0	0	509.024	3.341	50	0		KGAARN
CCOC(=O)N1CCN(C(=O)CN(c2cc(C)cc(C)c2)S(=O)(=O)c2cc(C)ccc2OC)CC1	ZINC000016426457	553562984	/nfs/dbraw/zinc/56/29/84/553562984.db2.gz	DXDJEKRKCZHHPT-UHFFFAOYSA-N	0	0	503.621	3.116	50	0		KGAARN
COc1ccc(C)cc1S(=O)(=O)N(CC(=O)Nc1ccc(S(N)(=O)=O)cc1)c1ccc(C)c(C)c1	ZINC000016426657	553563116	/nfs/dbraw/zinc/56/31/16/553563116.db2.gz	ZVOSCGXJEINIJI-UHFFFAOYSA-N	0	0	517.629	3.102	50	0		KGAARN
Cc1ccccc1NS(=O)(=O)c1ccc(NC(=O)CN(c2ccccc2)S(=O)(=O)N(C)C)cc1	ZINC000016447622	553564740	/nfs/dbraw/zinc/56/47/40/553564740.db2.gz	DJDMJFZQTWSUJG-UHFFFAOYSA-N	0	0	502.618	3.047	50	0		KGAARN
COC(=O)C1=C(C)NC(=O)N[C@@H]1c1cc(Br)ccc1OCC(=O)Nc1ccccc1OC	ZINC000016447881	553564747	/nfs/dbraw/zinc/56/47/47/553564747.db2.gz	CFIBOLVOVITVHQ-HXUWFJFHSA-N	0	0	504.337	3.276	50	0		KGAARN
COC(=O)C1=C(C)NC(=O)N[C@H]1c1cc(Br)ccc1OCC(=O)Nc1ccccc1OC	ZINC000016447882	553564800	/nfs/dbraw/zinc/56/48/00/553564800.db2.gz	CFIBOLVOVITVHQ-FQEVSTJZSA-N	0	0	504.337	3.276	50	0		KGAARN
COc1ccc(CCN2C(=O)NC(=O)C(CCc3ccncc3)(CCc3ccncc3)C2=O)cc1OC	ZINC000016448134	553564913	/nfs/dbraw/zinc/56/49/13/553564913.db2.gz	WYMJDMPKUWEVHV-UHFFFAOYSA-N	0	0	502.571	3.367	50	0		KGAARN
CCOc1ccc(N2C(=O)[C@@H](CC(=O)Nc3ccc(Br)cc3)N(CC(=O)OC)C2=S)cc1	ZINC000016448364	553564963	/nfs/dbraw/zinc/56/49/63/553564963.db2.gz	JMJPJRPEKCWPDS-GOSISDBHSA-N	0	0	520.405	3.352	50	0		KGAARN
CCOc1ccc(N2C(=O)[C@H](CC(=O)Nc3ccc(Br)cc3)N(CC(=O)OC)C2=S)cc1	ZINC000016448366	553564931	/nfs/dbraw/zinc/56/49/31/553564931.db2.gz	JMJPJRPEKCWPDS-SFHVURJKSA-N	0	0	520.405	3.352	50	0		KGAARN
CS(=O)(=O)N(CC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1)c1ccc2c(c1)OCO2	ZINC000016448368	553564976	/nfs/dbraw/zinc/56/49/76/553564976.db2.gz	HQTAYFCUXIOGBZ-UHFFFAOYSA-N	0	0	507.612	3.115	50	0		KGAARN
CCOC(=O)N1CCN(C(=O)COc2ccc(S(=O)(=O)N[C@@H](C)c3ccccc3)cc2Cl)CC1	ZINC000016448374	553564971	/nfs/dbraw/zinc/56/49/71/553564971.db2.gz	PVLCFIHNFTYZQF-KRWDZBQOSA-N	0	0	510.012	3.059	50	0		KGAARN
CCOC(=O)N1CCN(C(=O)COc2ccc(S(=O)(=O)N[C@H](C)c3ccccc3)cc2Cl)CC1	ZINC000016448376	553564951	/nfs/dbraw/zinc/56/49/51/553564951.db2.gz	PVLCFIHNFTYZQF-QGZVFWFLSA-N	0	0	510.012	3.059	50	0		KGAARN
COc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)Nc2cccc(C(F)(F)F)c2)cc(Cl)c1OCC(N)=O	ZINC000016448483	553564970	/nfs/dbraw/zinc/56/49/70/553564970.db2.gz	QHHSFBGJFOHSAC-SFHVURJKSA-N	0	0	512.872	3.498	50	0		KGAARN
COc1cc([C@H]2NC(=O)NC(C)=C2C(=O)Nc2cccc(C(F)(F)F)c2)cc(Cl)c1OCC(N)=O	ZINC000016448485	553564992	/nfs/dbraw/zinc/56/49/92/553564992.db2.gz	QHHSFBGJFOHSAC-GOSISDBHSA-N	0	0	512.872	3.498	50	0		KGAARN
CCc1[n-]n(-c2ccc(Cl)c(Cl)c2)c(=O)c1C1=C([n+]2cccc(C)c2)C(=O)N(CCOC)C1=O	ZINC000016571046	553567939	/nfs/dbraw/zinc/56/79/39/553567939.db2.gz	WDTBEOKISWPBBK-UHFFFAOYSA-O	0	0	502.378	3.427	50	0		KGAARN
COc1ccc([C@@H]2NC(=S)NC(C)=C2C(=O)NCc2ccccc2)c(I)c1O	ZINC000016606863	553569002	/nfs/dbraw/zinc/56/90/02/553569002.db2.gz	YXQOWWOCOZNFGH-KRWDZBQOSA-N	0	0	509.369	3.115	50	0		KGAARN
COc1ccc([C@H]2NC(=S)NC(C)=C2C(=O)NCc2ccccc2)c(I)c1O	ZINC000016606867	553568981	/nfs/dbraw/zinc/56/89/81/553568981.db2.gz	YXQOWWOCOZNFGH-QGZVFWFLSA-N	0	0	509.369	3.115	50	0		KGAARN
O=C(CN1CN(c2ccccc2)C2(CCN(C(=O)c3ccccc3F)CC2)C1=O)NCc1ccccc1	ZINC000016612597	553569849	/nfs/dbraw/zinc/56/98/49/553569849.db2.gz	OTDQTIWMVHFYJF-UHFFFAOYSA-N	0	0	500.574	3.423	50	0		KGAARN
COc1ccccc1C(=O)N1CCC2(CC1)C(=O)N(CC(=O)NCc1ccccc1)CN2c1ccccc1	ZINC000016612598	553569797	/nfs/dbraw/zinc/56/97/97/553569797.db2.gz	DXMUZAALQFXDFR-UHFFFAOYSA-N	0	0	512.610	3.293	50	0		KGAARN
O=C(CN1CN(c2ccccc2)C2(CCN(C(=O)c3cccc(F)c3)CC2)C1=O)NCc1ccccc1	ZINC000016612603	553569808	/nfs/dbraw/zinc/56/98/08/553569808.db2.gz	FDRIZOMREOMPFA-UHFFFAOYSA-N	0	0	500.574	3.423	50	0		KGAARN
COCCNC(=O)CN1CN(c2ccccc2)C2(CCN(C(=O)c3ccc(Cl)c(Cl)c3)CC2)C1=O	ZINC000016612662	553569819	/nfs/dbraw/zinc/56/98/19/553569819.db2.gz	PKAHJTNQRUAJAJ-UHFFFAOYSA-N	0	0	519.429	3.037	50	0		KGAARN
COCCNC(=O)CN1CN(c2ccccc2)C2(CCN(C(=O)c3ccc(C(C)(C)C)cc3)CC2)C1=O	ZINC000016612663	553569844	/nfs/dbraw/zinc/56/98/44/553569844.db2.gz	ZZGLGUGVWADQMA-UHFFFAOYSA-N	0	0	506.647	3.028	50	0		KGAARN
CCC(=O)N1CCC2(CC1)C(=O)N(CC(=O)NCc1cccc(C(F)(F)F)c1)CN2c1ccccc1	ZINC000016612742	553569870	/nfs/dbraw/zinc/56/98/70/553569870.db2.gz	JXMGTWPVIVJTIQ-UHFFFAOYSA-N	0	0	502.537	3.399	50	0		KGAARN
Cc1ccc(C(=O)N2CCC3(CC2)C(=O)N(CC(=O)NCCc2ccccn2)CN3c2ccccc2)cc1	ZINC000016612944	553570052	/nfs/dbraw/zinc/57/00/52/553570052.db2.gz	RNMAMOWPKKDUCK-UHFFFAOYSA-N	0	0	511.626	3.030	50	0		KGAARN
O=C(CN1CN(c2ccccc2)C2(CCN(C(=O)C34CC5CC(CC(C5)C3)C4)CC2)C1=O)NC[C@@H]1CCCO1	ZINC000016613009	553570006	/nfs/dbraw/zinc/57/00/06/553570006.db2.gz	UQFSWAFOQAQSSX-RICCYLBVSA-N	0	0	534.701	3.166	50	0		KGAARN
O=C(CN1CN(c2ccccc2)C2(CCN(C(=O)C34CC5CC(CC(C5)C3)C4)CC2)C1=O)NC[C@H]1CCCO1	ZINC000016613010	553570022	/nfs/dbraw/zinc/57/00/22/553570022.db2.gz	UQFSWAFOQAQSSX-FXWJCSGXSA-N	0	0	534.701	3.166	50	0		KGAARN
CC[C@@H](C(=O)N1CCC2(CC1)C(=O)N(CC(=O)NC[C@@H]1CCCO1)CN2c1ccccc1)c1ccccc1	ZINC000016613021	553570042	/nfs/dbraw/zinc/57/00/42/553570042.db2.gz	ZHGYDRZYMMQUIT-IZZNHLLZSA-N	0	0	518.658	3.143	50	0		KGAARN
CC[C@H](C(=O)N1CCC2(CC1)C(=O)N(CC(=O)NC[C@@H]1CCCO1)CN2c1ccccc1)c1ccccc1	ZINC000016613022	553570023	/nfs/dbraw/zinc/57/00/23/553570023.db2.gz	ZHGYDRZYMMQUIT-UIOOFZCWSA-N	0	0	518.658	3.143	50	0		KGAARN
COc1cc(NC(=O)N2CCC3(CC2)C(=O)N(CC(=O)N2CCCCC2)CN3c2ccccc2)cc(OC)c1	ZINC000016613071	553569998	/nfs/dbraw/zinc/56/99/98/553569998.db2.gz	IGJGYWDQMDHVPD-UHFFFAOYSA-N	0	0	535.645	3.389	50	0		KGAARN
COCCNC(=O)CN1CN(c2ccccc2)C2(CCN(C(=O)Nc3cccc4ccccc43)CC2)C1=O	ZINC000016613089	553570054	/nfs/dbraw/zinc/57/00/54/553570054.db2.gz	JIZSAYAOCUBJSC-UHFFFAOYSA-N	0	0	515.614	3.275	50	0		KGAARN
CC(C)c1ccc(NC(=O)N2CCC3(CC2)C(=O)N(CC(=O)N2CCOCC2)CN3c2ccccc2)cc1	ZINC000016613158	553570185	/nfs/dbraw/zinc/57/01/85/553570185.db2.gz	VEMXCLHKJCPQGB-UHFFFAOYSA-N	0	0	519.646	3.342	50	0		KGAARN
CCc1ccccc1NC(=O)N1CCC2(CC1)C(=O)N(CC(=O)NCCCOC)CN2c1ccccc1	ZINC000016613188	553570209	/nfs/dbraw/zinc/57/02/09/553570209.db2.gz	MLQZUAHVHSRPNN-UHFFFAOYSA-N	0	0	507.635	3.075	50	0		KGAARN
COc1ccc(NC(=O)CN2CN(c3ccccc3)C3(CCN(C(=O)COc4ccccc4)CC3)C2=O)cc1	ZINC000016647382	553570854	/nfs/dbraw/zinc/57/08/54/553570854.db2.gz	QFYYZWLBGWFVCJ-UHFFFAOYSA-N	0	0	528.609	3.380	50	0		KGAARN
COCCN(CC(=O)N(Cc1ccc(C)o1)Cc1ccc2c(c1)OCO2)C(=O)c1ccc2c(c1)OCO2	ZINC000016650587	553571070	/nfs/dbraw/zinc/57/10/70/553571070.db2.gz	DSOUPVGRBFFYST-UHFFFAOYSA-N	0	0	508.527	3.363	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)c(O)c3)c(=O)n2[C@@H]1c1ccccc1OC(C)C	ZINC000016682340	553572212	/nfs/dbraw/zinc/57/22/12/553572212.db2.gz	ZSEXHEOBPHWONG-IGSWSUAKSA-N	0	0	508.596	3.300	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)c(O)c3)c(=O)n2[C@H]1c1ccccc1OC(C)C	ZINC000016682341	553572232	/nfs/dbraw/zinc/57/22/32/553572232.db2.gz	ZSEXHEOBPHWONG-YMSBRDKKSA-N	0	0	508.596	3.300	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(O)c(OC)c3)c(=O)n2[C@@H]1c1ccccc1OC(C)C	ZINC000016682342	553572252	/nfs/dbraw/zinc/57/22/52/553572252.db2.gz	VHPNACNYWQJRRT-IGSWSUAKSA-N	0	0	508.596	3.300	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(O)c(OC)c3)c(=O)n2[C@H]1c1ccccc1OC(C)C	ZINC000016682343	553572239	/nfs/dbraw/zinc/57/22/39/553572239.db2.gz	VHPNACNYWQJRRT-YMSBRDKKSA-N	0	0	508.596	3.300	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(O)cc3)c(=O)n2[C@@H]1c1ccc(OCC)c(OCC)c1	ZINC000016692915	553573778	/nfs/dbraw/zinc/57/37/78/553573778.db2.gz	IGCLRWGRNAZCGT-IGSWSUAKSA-N	0	0	508.596	3.301	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(O)cc3)c(=O)n2[C@H]1c1ccc(OCC)c(OCC)c1	ZINC000016692918	553573756	/nfs/dbraw/zinc/57/37/56/553573756.db2.gz	IGCLRWGRNAZCGT-YMSBRDKKSA-N	0	0	508.596	3.301	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(O)c3)c(=O)n2[C@@H]1c1ccc(OCC)c(OCC)c1	ZINC000016692937	553573870	/nfs/dbraw/zinc/57/38/70/553573870.db2.gz	MBROAPLHFHQEMM-IGSWSUAKSA-N	0	0	508.596	3.301	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(O)c3)c(=O)n2[C@H]1c1ccc(OCC)c(OCC)c1	ZINC000016692939	553573836	/nfs/dbraw/zinc/57/38/36/553573836.db2.gz	MBROAPLHFHQEMM-YMSBRDKKSA-N	0	0	508.596	3.301	50	0		KGAARN
CCOC(=O)N1CCN(C(=O)CN(c2ccccc2OCC)S(=O)(=O)c2ccc(Cl)cc2)CC1	ZINC000016693458	553573898	/nfs/dbraw/zinc/57/38/98/553573898.db2.gz	VBULWNSFNJBYDO-UHFFFAOYSA-N	0	0	510.012	3.235	50	0		KGAARN
COC(=O)C1=C(C)N=c2s/c(=C/c3ccc(C(C)C)cc3)c(=O)n2[C@@H]1c1ccc(OC(C)=O)c(OC)c1	ZINC000016700124	553574311	/nfs/dbraw/zinc/57/43/11/553574311.db2.gz	YPWWHACDVNZEQF-YXDQGSNCSA-N	0	0	520.607	3.466	50	0		KGAARN
COC(=O)C1=C(C)N=c2s/c(=C/c3ccc(C(C)C)cc3)c(=O)n2[C@H]1c1ccc(OC(C)=O)c(OC)c1	ZINC000016700126	553574315	/nfs/dbraw/zinc/57/43/15/553574315.db2.gz	YPWWHACDVNZEQF-ITIZVALFSA-N	0	0	520.607	3.466	50	0		KGAARN
COC(=O)C1=C(C)N=c2s/c(=C/C=C/c3ccccc3)c(=O)n2[C@@H]1c1ccc(OC(C)=O)c(OC)c1	ZINC000016700156	553574244	/nfs/dbraw/zinc/57/42/44/553574244.db2.gz	OBCHDDDNJYFJNZ-BYDHBGLRSA-N	0	0	504.564	3.007	50	0		KGAARN
COC(=O)C1=C(C)N=c2s/c(=C/C=C/c3ccccc3)c(=O)n2[C@H]1c1ccc(OC(C)=O)c(OC)c1	ZINC000016700158	553574270	/nfs/dbraw/zinc/57/42/70/553574270.db2.gz	OBCHDDDNJYFJNZ-SOVZJUJKSA-N	0	0	504.564	3.007	50	0		KGAARN
C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)CCCCCN3C(=O)c4ccccc4C3=O)cc2)C[C@@H](C)O1	ZINC000016711675	553574976	/nfs/dbraw/zinc/57/49/76/553574976.db2.gz	HIOXYXZAKHVEMV-RTBURBONSA-N	0	0	513.616	3.280	50	0		KGAARN
C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)CCCCCN3C(=O)c4ccccc4C3=O)cc2)C[C@H](C)O1	ZINC000016711679	553574956	/nfs/dbraw/zinc/57/49/56/553574956.db2.gz	HIOXYXZAKHVEMV-KDURUIRLSA-N	0	0	513.616	3.280	50	0		KGAARN
C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)CCCCCN3C(=O)c4ccccc4C3=O)cc2)C[C@H](C)O1	ZINC000016711681	553574987	/nfs/dbraw/zinc/57/49/87/553574987.db2.gz	HIOXYXZAKHVEMV-OALUTQOASA-N	0	0	513.616	3.280	50	0		KGAARN
COc1ccc(-c2nc3s/c(=C/c4cc(Br)c(OC(C)=O)c(OC)c4)c(=O)n3n2)cc1	ZINC000016733075	553577892	/nfs/dbraw/zinc/57/78/92/553577892.db2.gz	YYKTXHBPFLRBPQ-LICLKQGHSA-N	0	0	502.346	3.071	50	0		KGAARN
CCOc1ccc(-c2nc3s/c(=C\c4cc(Br)c(OC(C)=O)c(OC)c4)c(=O)n3n2)cc1	ZINC000016805596	553583030	/nfs/dbraw/zinc/58/30/30/553583030.db2.gz	JKZMAAGEZYRQGS-WQRHYEAKSA-N	0	0	516.373	3.461	50	0		KGAARN
C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)Nc3ccc(I)cc3)cc2)C[C@H](C)O1	ZINC000016810149	553583666	/nfs/dbraw/zinc/58/36/66/553583666.db2.gz	VZQIYAWBGLTDBH-OKILXGFUSA-N	0	0	500.358	3.341	50	0		KGAARN
COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3ccccc3Cl)s2)cc1	ZINC000016942637	553584070	/nfs/dbraw/zinc/58/40/70/553584070.db2.gz	PQJQTPBBUAJNGN-UHFFFAOYSA-N	0	0	511.025	3.394	50	0		KGAARN
CC(C)[C@H](C(=O)Nc1ccc(N(C)C)cc1)N(Cc1cccnc1)C(=O)CN1c2ccccc2C(=O)C1=O	ZINC000016949398	553584472	/nfs/dbraw/zinc/58/44/72/553584472.db2.gz	UACBUQKQIHTXLE-AREMUKBSSA-N	0	0	513.598	3.369	50	0		KGAARN
COc1ccc(-n2c(Cc3cc(=O)[nH]c(=O)[nH]3)nnc2SCc2ccc(Br)cc2)cc1	ZINC000016955069	553585009	/nfs/dbraw/zinc/58/50/09/553585009.db2.gz	FPPYIQHPMCEGNF-UHFFFAOYSA-N	0	0	500.378	3.298	50	0		KGAARN
COc1ccc(-c2nc3scc(CCNS(=O)(=O)c4ccc(OC)c(OC)c4)n3n2)cc1OC	ZINC000016960109	553585589	/nfs/dbraw/zinc/58/55/89/553585589.db2.gz	CHEWIZGNAHNWIJ-UHFFFAOYSA-N	0	0	504.590	3.013	50	0		KGAARN
COc1cccc(-n2c(Cc3cc(=O)[nH]c(=O)[nH]3)nnc2SCc2ccc(Br)cc2)c1	ZINC000016960672	553585547	/nfs/dbraw/zinc/58/55/47/553585547.db2.gz	ZOLQAPDYIMJFSU-UHFFFAOYSA-N	0	0	500.378	3.298	50	0		KGAARN
Cc1cccn2c(=O)c3c(nc12)N1CCc2ccccc2[C@@H]1[C@@]1(C3)C(=O)NC(=O)N(C2CCCCC2)C1=O	ZINC000016974376	553585762	/nfs/dbraw/zinc/58/57/62/553585762.db2.gz	QDKIITKWRHUGJP-MNNSJKJDSA-N	0	0	511.582	3.060	50	0		KGAARN
CC(=O)OCC(=O)[C@@]1(OC(C)=O)CC[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](OC(C)=O)C[C@@]21C	ZINC000017057427	553587589	/nfs/dbraw/zinc/58/75/89/553587589.db2.gz	FFTHDBXUCIOLQT-IKISBYBJSA-N	0	0	504.551	3.362	50	0		KGAARN
CCn1ncc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(OC)cc2)C(C(=O)Nc2ccccc2)=C(C)N=3)c1C	ZINC000017143389	553588938	/nfs/dbraw/zinc/58/89/38/553588938.db2.gz	AWXLAIZCQCPKQM-XXMKCSCWSA-N	0	0	513.623	3.407	50	0		KGAARN
Cc1ccc(-c2nnc(Nc3ccc(CC(N)=O)cc3)c3ccccc32)cc1S(=O)(=O)N1CCOCC1	ZINC000017145491	553588901	/nfs/dbraw/zinc/58/89/01/553588901.db2.gz	YSQCWJSRURCLAG-UHFFFAOYSA-N	0	0	517.611	3.398	50	0		KGAARN
O=C(NCc1c(-c2ccc(Cl)cc2)nc2n1CCS2)c1ccc(S(=O)(=O)N2CCOCC2)cc1	ZINC000017156495	553589346	/nfs/dbraw/zinc/58/93/46/553589346.db2.gz	JACCYEZEBMVAOM-UHFFFAOYSA-N	0	0	519.048	3.260	50	0		KGAARN
C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)/N=c3\sc4cc(S(C)(=O)=O)ccc4n3C)cc2)C1	ZINC000017244434	553591301	/nfs/dbraw/zinc/59/13/01/553591301.db2.gz	FUJOYDXQXXVYNI-AGNUNMGFSA-N	0	0	521.686	3.051	50	0		KGAARN
Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCC(=O)Nc3nnc(C4CCCCC4)s3)CC2)cc1	ZINC000017250352	553591820	/nfs/dbraw/zinc/59/18/20/553591820.db2.gz	YSEGJSZZZRIQSK-UHFFFAOYSA-N	0	0	505.666	3.146	50	0		KGAARN
CCOC(=O)N1CCN(C(=O)CSc2nc3c4ccccc4[nH]c3c(=O)n2-c2ccc(OC)cc2)CC1	ZINC000017297130	553592281	/nfs/dbraw/zinc/59/22/81/553592281.db2.gz	RAJFMECTJIMRND-UHFFFAOYSA-N	0	0	521.599	3.268	50	0		KGAARN
C[C@]1(C(=O)NCCCNC(=O)[C@]2(C)CC2(Br)Br)CC1(Br)Br	ZINC000017297132	553592268	/nfs/dbraw/zinc/59/22/68/553592268.db2.gz	DSVHFIFTFAAMDQ-PHIMTYICSA-N	0	0	553.915	3.401	50	0		KGAARN
O=C(CCCn1c(=O)c2ccccc2nc1SCc1cc(=O)n2cc(Cl)ccc2n1)NC[C@@H]1CCCO1	ZINC000017337534	553593362	/nfs/dbraw/zinc/59/33/62/553593362.db2.gz	QEBNXXUIDCMWQV-IBGZPJMESA-N	0	0	540.045	3.426	50	0		KGAARN
O=C(CCCn1c(=O)c2ccccc2nc1SCc1cc(=O)n2cc(Cl)ccc2n1)NC[C@H]1CCCO1	ZINC000017337538	553593384	/nfs/dbraw/zinc/59/33/84/553593384.db2.gz	QEBNXXUIDCMWQV-LJQANCHMSA-N	0	0	540.045	3.426	50	0		KGAARN
CCc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2CCCC(=O)NCCCN2CCOCC2)cc1	ZINC000017337545	553593646	/nfs/dbraw/zinc/59/36/46/553593646.db2.gz	MVKVGSKEGBOULT-UHFFFAOYSA-N	0	0	551.713	3.308	50	0		KGAARN
Cc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2CCCC(=O)NCCCN2CCOCC2)cc1C	ZINC000017337550	553593676	/nfs/dbraw/zinc/59/36/76/553593676.db2.gz	CFLSXLIRNJLBAW-UHFFFAOYSA-N	0	0	551.713	3.363	50	0		KGAARN
Cc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2CCCC(=O)NCCCN2CCOCC2)cc1	ZINC000017337561	553593725	/nfs/dbraw/zinc/59/37/25/553593725.db2.gz	AWURSSYEHYOVIR-UHFFFAOYSA-N	0	0	537.686	3.054	50	0		KGAARN
CCOc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2CCCC(=O)NCCCN2CCCC2=O)cc1	ZINC000017337570	553593705	/nfs/dbraw/zinc/59/37/05/553593705.db2.gz	TXBSMVLYWPRYDJ-UHFFFAOYSA-N	0	0	565.696	3.435	50	0		KGAARN
CCN(CC)C(=O)CSc1nc2cc3c(cc2c(=O)n1CCCC(=O)NCCc1ccc(OC)c(OC)c1)OCO3	ZINC000017337582	553593699	/nfs/dbraw/zinc/59/36/99/553593699.db2.gz	LOWFPGDFPKKYBO-UHFFFAOYSA-N	0	0	584.695	3.242	50	0		KGAARN
CC[C@@H](Sc1nc2cc(OC)c(OC)cc2c(=O)n1CCc1ccc(OC)c(OC)c1)C(=O)NCCOC	ZINC000017337586	553593693	/nfs/dbraw/zinc/59/36/93/553593693.db2.gz	LXCPZQCZVUJFAB-XMMPIXPASA-N	0	0	545.658	3.307	50	0		KGAARN
CC[C@H](Sc1nc2cc(OC)c(OC)cc2c(=O)n1CCc1ccc(OC)c(OC)c1)C(=O)NCCOC	ZINC000017337589	553593697	/nfs/dbraw/zinc/59/36/97/553593697.db2.gz	LXCPZQCZVUJFAB-DEOSSOPVSA-N	0	0	545.658	3.307	50	0		KGAARN
COc1ccc(S(=O)(=O)N/N=c2\oc3c(cccc3OC)cc2S(=O)(=O)c2ccc(C)cc2)cc1OC	ZINC000017356914	553593960	/nfs/dbraw/zinc/59/39/60/553593960.db2.gz	HIPYUXUBNFJHJU-QPLCGJKRSA-N	0	0	544.607	3.394	50	0		KGAARN
CCn1cc(C(=O)N2CCN(c3ccccn3)CC2)c(=O)c2cc(S(=O)(=O)N(C)C3CCCCC3)ccc21	ZINC000017357020	553594353	/nfs/dbraw/zinc/59/43/53/553594353.db2.gz	HRKRFPHPEPAPKE-UHFFFAOYSA-N	0	0	537.686	3.332	50	0		KGAARN
O=C(NCC1N=NC(=S)N1c1ccc(Br)cc1)c1ccc(S(=O)(=O)N2CCCC2)cc1	ZINC000017357163	553594602	/nfs/dbraw/zinc/59/46/02/553594602.db2.gz	SVHNBQHGEVBAHB-UHFFFAOYSA-N	0	0	522.450	3.033	50	0		KGAARN
COc1ccc(CCNC(=O)CSc2nc3n[nH]cc3c(=O)n2-c2ccccc2Br)cc1OC	ZINC000017357200	553594518	/nfs/dbraw/zinc/59/45/18/553594518.db2.gz	UOIJMXFOSBCCGM-UHFFFAOYSA-N	0	0	544.431	3.340	50	0		KGAARN
COc1ccc(CCNC(=O)CSc2nc3n[nH]cc3c(=O)n2-c2ccc(Br)cc2)cc1OC	ZINC000017357209	553594501	/nfs/dbraw/zinc/59/45/01/553594501.db2.gz	APLPSKZQNKTRFT-UHFFFAOYSA-N	0	0	544.431	3.340	50	0		KGAARN
COc1ccc(CN2CCN(C(=O)C3CCC(CNS(=O)(=O)c4ccc(C)cc4)CC3)CC2)c(OC)c1OC	ZINC000017357229	553594482	/nfs/dbraw/zinc/59/44/82/553594482.db2.gz	ZBUFFWHKOXVJHW-UHFFFAOYSA-N	0	0	559.729	3.450	50	0		KGAARN
COc1ccc(CN2CCN(C(=O)C3CCC(CNS(=O)(=O)c4ccccc4)CC3)CC2)c(OC)c1OC	ZINC000017357231	553594508	/nfs/dbraw/zinc/59/45/08/553594508.db2.gz	OFDIYFROUNQZTR-UHFFFAOYSA-N	0	0	545.702	3.142	50	0		KGAARN
COc1ccc(N(CC(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)S(=O)(=O)c2ccc(F)cc2)cc1	ZINC000017376801	553595464	/nfs/dbraw/zinc/59/54/64/553595464.db2.gz	KBZZHCPWWLDAHH-UHFFFAOYSA-N	0	0	541.601	3.103	50	0		KGAARN
O=C(CSC1=NC(=O)[C@@H](Cc2ccccc2)C(=O)N1)Nc1ncc(Br)cc1Br	ZINC000017434004	553595998	/nfs/dbraw/zinc/59/59/98/553595998.db2.gz	GSASWLJWKKDHGF-UHFFFAOYSA-N	0	0	526.210	3.150	50	0		KGAARN
O=C(Cc1ccc(-n2c(=O)c3sccc3n(CC(=O)Nc3ccccc3F)c2=O)cc1)NCc1ccco1	ZINC000017434258	553596201	/nfs/dbraw/zinc/59/62/01/553596201.db2.gz	IKBWEAXBACRDTI-UHFFFAOYSA-N	0	0	532.553	3.444	50	0		KGAARN
COc1ccc(NC(=O)Cn2c3ccccc3c(=O)n(-c3ccc(CC(=O)NCc4ccco4)cc3)c2=O)cc1	ZINC000017434304	553596554	/nfs/dbraw/zinc/59/65/54/553596554.db2.gz	XMPUGZTZRFWIGV-UHFFFAOYSA-N	0	0	538.560	3.252	50	0		KGAARN
CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N(C[C@@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)c1	ZINC000017466136	553596576	/nfs/dbraw/zinc/59/65/76/553596576.db2.gz	PDGVQNKYYZNZMG-UXHICEINSA-N	0	0	541.091	3.364	50	0		KGAARN
CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N(C[C@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)c1	ZINC000017466141	553596569	/nfs/dbraw/zinc/59/65/69/553596569.db2.gz	PDGVQNKYYZNZMG-WOJBJXKFSA-N	0	0	541.091	3.364	50	0		KGAARN
COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)O[C@@H](C)C(=O)NCc2ccc3c(c2)OCO3)cc1	ZINC000017466470	553596689	/nfs/dbraw/zinc/59/66/89/553596689.db2.gz	NDDHPYYLANCAQN-KRWDZBQOSA-N	0	0	526.567	3.111	50	0		KGAARN
COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)O[C@H](C)C(=O)NCc2ccc3c(c2)OCO3)cc1	ZINC000017466475	553596700	/nfs/dbraw/zinc/59/67/00/553596700.db2.gz	NDDHPYYLANCAQN-QGZVFWFLSA-N	0	0	526.567	3.111	50	0		KGAARN
COc1ccc(NS(=O)(=O)c2ccc(O)c(NC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)c2)cc1	ZINC000017527612	553597129	/nfs/dbraw/zinc/59/71/29/553597129.db2.gz	NIGJVRANQXLCSI-UHFFFAOYSA-N	0	0	531.612	3.238	50	0		KGAARN
Cc1c(NS(=O)(=O)c2ccc(Cl)c(C(=O)OCC(=O)NCc3ccco3)c2)c(=O)n(-c2ccccc2)n1C	ZINC000017527629	553597178	/nfs/dbraw/zinc/59/71/78/553597178.db2.gz	XPXOHHAFFJJJGA-UHFFFAOYSA-N	0	0	559.000	3.005	50	0		KGAARN
Cc1c(NS(=O)(=O)c2ccc(C)c(C(=O)OCC(=O)N3CCC[C@@H](C)C3)c2)c(=O)n(-c2ccccc2)n1C	ZINC000017546165	553597660	/nfs/dbraw/zinc/59/76/60/553597660.db2.gz	ZTEZCXSLNMHOGE-GOSISDBHSA-N	0	0	540.642	3.009	50	0		KGAARN
Cc1c(NS(=O)(=O)c2ccc(C)c(C(=O)OCC(=O)N3CCC[C@H](C)C3)c2)c(=O)n(-c2ccccc2)n1C	ZINC000017546169	553597662	/nfs/dbraw/zinc/59/76/62/553597662.db2.gz	ZTEZCXSLNMHOGE-SFHVURJKSA-N	0	0	540.642	3.009	50	0		KGAARN
O=c1[nH]c(CN2CCN(S(=O)(=O)c3cccs3)CC2)nc2c(Br)cc(Br)cc12	ZINC000017595755	553598427	/nfs/dbraw/zinc/59/84/27/553598427.db2.gz	ORZAHLGMQYZSHC-UHFFFAOYSA-N	0	0	548.282	3.428	50	0		KGAARN
CCC(=O)CCCCC[C@@H]1NC(=O)[C@H]2CCCCN2C(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](Cc2cn(OC)c3ccccc23)NC1=O	ZINC000017654900	553599073	/nfs/dbraw/zinc/59/90/73/553599073.db2.gz	JWOGUUIOCYMBPV-GMFLJSBRSA-N	0	0	623.795	3.067	50	0	biogenic,in-vivo	KGAARN
CC(=O)NC12C[C@@H]3C[C@H](C1)CC(C(=O)OCC(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1)(C3)C2	ZINC000018038290	553601800	/nfs/dbraw/zinc/60/18/00/553601800.db2.gz	UDGSTNZXATWMEU-FLCJAFJVSA-N	0	0	523.552	3.499	50	0		KGAARN
COC(=O)c1nn(-c2ccc(Br)cc2)c2c(O)n(-c3ccc(Br)cc3)c(O)c12	ZINC000018062595	553602734	/nfs/dbraw/zinc/60/27/34/553602734.db2.gz	DXLWYEBSEJTMOQ-GOEBONIOSA-N	0	0	507.138	3.119	50	0		KGAARN
Cc1ccc(-c2nnc(Nc3ccc(C(N)=O)cc3)c3ccccc32)cc1S(=O)(=O)N1CCN(C)CC1	ZINC000018117040	553605030	/nfs/dbraw/zinc/60/50/30/553605030.db2.gz	QSBQHOUVJXIOBF-UHFFFAOYSA-N	0	0	516.627	3.384	50	0		KGAARN
CCCc1nn(C)c2c1nc(-c1cc(S(=O)(=O)Nc3ccc(NC(C)=O)cc3)ccc1OCC)[nH]c2=O	ZINC000018128495	553605701	/nfs/dbraw/zinc/60/57/01/553605701.db2.gz	PUGVITRSNNRNRD-UHFFFAOYSA-N	0	0	524.603	3.434	50	0		KGAARN
COc1cc(C(=O)N[C@@H]2CCCC[C@@H]2NC(=O)c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC	ZINC000018206027	553610391	/nfs/dbraw/zinc/61/03/91/553610391.db2.gz	BSCUNUROVIZVIC-HDICACEKSA-N	0	0	502.564	3.209	50	0	biogenic,in-vitro	KGAARN
O=C(NCc1ccco1)[C@H](OC(=O)c1ccccc1)[C@H](OC(=O)c1ccccc1)C(=O)NCc1ccco1	ZINC000018268622	553611823	/nfs/dbraw/zinc/61/18/23/553611823.db2.gz	JZPXVJAMVINLFN-PSWAGMNNSA-N	0	0	516.506	3.256	50	0		KGAARN
CC(=O)Nc1cccc(N2C(=O)C[C@@H](N3CCN(c4ccc(C(=O)c5cccs5)cc4)CC3)C2=O)c1	ZINC000018271287	553611868	/nfs/dbraw/zinc/61/18/68/553611868.db2.gz	ZELOINDUMCSNGD-HSZRJFAPSA-N	0	0	502.596	3.392	50	0		KGAARN
COc1ccc(C2(c3ccc(OC)cc3)NC(=O)N(CC(=O)Nc3cccc4nsnc43)C2=O)cc1	ZINC000019078547	553612354	/nfs/dbraw/zinc/61/23/54/553612354.db2.gz	VFCWQQOWEBIGRZ-UHFFFAOYSA-N	0	0	503.540	3.143	50	0		KGAARN
COC(=O)c1cn([C@@H]2C[C@@H](C(=O)NCc3cccs3)N(Cc3c(OC)ccc4ccccc43)C2)nn1	ZINC000019147022	1060023816	/nfs/dbraw/zinc/02/38/16/1060023816.db2.gz	JDXDPJVDGMMWQV-JPYJTQIMSA-N	0	0	505.600	3.420	50	0		KGAARN
COC(=O)c1[nH]c2ccc(Br)cc2c1NC(=O)CN1CCN(Cc2ccc3c(c2)OCO3)CC1	ZINC000019372417	553614607	/nfs/dbraw/zinc/61/46/07/553614607.db2.gz	DDWOUOQYBBVIFY-UHFFFAOYSA-N	0	0	529.391	3.202	50	0		KGAARN
CCn1cc(/C=C(\NC(=O)c2cc(OC)c(OC)c(OC)c2)C(=O)N2CCN(C)CC2)c2ccccc21	ZINC000019723189	193883326	/nfs/dbraw/zinc/88/33/26/193883326.db2.gz	UOFXBFGHFWBXCT-JCMHNJIXSA-N	0	0	506.603	3.232	50	0		KGAARN
C[C@@H](CNC(=O)Cc1ccc2c(c1)OCO2)Oc1ccc(CN2CCN(Cc3cccnc3)CC2)cc1	ZINC000019739752	553615840	/nfs/dbraw/zinc/61/58/40/553615840.db2.gz	JDIMOIYABLVVDD-QFIPXVFZSA-N	0	0	502.615	3.254	50	0		KGAARN
C[C@H](CNC(=O)Cc1ccc2c(c1)OCO2)Oc1ccc(CN2CCN(Cc3cccnc3)CC2)cc1	ZINC000019739754	553615783	/nfs/dbraw/zinc/61/57/83/553615783.db2.gz	JDIMOIYABLVVDD-JOCHJYFZSA-N	0	0	502.615	3.254	50	0		KGAARN
O=S(=O)(NCCCOc1ccc(CN2CCN(c3ncccn3)CC2)cc1)c1cccc(Cl)c1	ZINC000019743847	553615796	/nfs/dbraw/zinc/61/57/96/553615796.db2.gz	YOCZFHKPKXWYOZ-UHFFFAOYSA-N	0	0	502.040	3.200	50	0		KGAARN
CCOC(=O)CN[C@@H](c1ccccc1)c1cc(Br)ccc1NC(=O)CCN1CCOCC1	ZINC000019772799	553616413	/nfs/dbraw/zinc/61/64/13/553616413.db2.gz	XEFAVTNFMMMNSH-DEOSSOPVSA-N	0	0	504.425	3.352	50	0		KGAARN
CCOC(=O)CN[C@H](c1ccccc1)c1cc(Br)ccc1NC(=O)CCN1CCOCC1	ZINC000019772801	553616322	/nfs/dbraw/zinc/61/63/22/553616322.db2.gz	XEFAVTNFMMMNSH-XMMPIXPASA-N	0	0	504.425	3.352	50	0		KGAARN
O=C1C(Cl)=C(N2CCN(Cc3ccccc3)CC2)C(=O)N1c1ccc(I)cc1	ZINC000019792823	553616715	/nfs/dbraw/zinc/61/67/15/553616715.db2.gz	FWTDUNHHMOYMEK-UHFFFAOYSA-N	0	0	507.759	3.433	50	0		KGAARN
Cn1c(CN2CCOCC2)nnc1SCC(=O)Nc1nc(-c2ccc(Br)cc2)cs1	ZINC000019799119	553617073	/nfs/dbraw/zinc/61/70/73/553617073.db2.gz	CCBAFBUYRBFPLB-UHFFFAOYSA-N	0	0	509.455	3.264	50	0		KGAARN
CCCCc1ccc(NC(=O)C(=O)NCCN2CCN(C(=O)c3cccc(Br)c3)CC2)cc1	ZINC000019799156	553617186	/nfs/dbraw/zinc/61/71/86/553617186.db2.gz	HRWDQMJFSMPMDW-UHFFFAOYSA-N	0	0	515.452	3.304	50	0		KGAARN
COC(=O)c1ccc(NC(=O)CSc2nnc(CN3CCOCC3)n2-c2ccc(Cl)cc2)cc1	ZINC000019799341	553617139	/nfs/dbraw/zinc/61/71/39/553617139.db2.gz	JJHIRJWLCWCDQV-UHFFFAOYSA-N	0	0	501.996	3.270	50	0		KGAARN
O=C(CSc1nnc(CN2CCOCC2)n1-c1ccc(Cl)cc1)Nc1ccc2c(c1)OCCO2	ZINC000019799378	553617097	/nfs/dbraw/zinc/61/70/97/553617097.db2.gz	QOJRRXOBMCZIIR-UHFFFAOYSA-N	0	0	501.996	3.255	50	0		KGAARN
O=C(CSc1nnc(CN2CCOCC2)n1-c1ccc(Cl)cc1)N1CCN(c2ccccc2)CC1	ZINC000019799450	553617168	/nfs/dbraw/zinc/61/71/68/553617168.db2.gz	WXLARKJKXRRNFD-UHFFFAOYSA-N	0	0	513.067	3.194	50	0		KGAARN
COC(=O)c1cc(NC(=O)CSc2nnc(CN3CCOCC3)n2-c2ccccc2)ccc1Cl	ZINC000019799455	553617104	/nfs/dbraw/zinc/61/71/04/553617104.db2.gz	YPLFLHYEROKNHB-UHFFFAOYSA-N	0	0	501.996	3.270	50	0		KGAARN
CCCCc1ccc(NC(=O)C(=O)NCCN2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)cc1	ZINC000019805326	553617764	/nfs/dbraw/zinc/61/77/64/553617764.db2.gz	YREAJPJJTXLEFO-UHFFFAOYSA-N	0	0	522.671	3.244	50	0		KGAARN
COc1ccc(N2C(=O)[C@@H](CC(=O)Nc3ccc(Cl)cc3)N(CCN3CCOCC3)C2=S)cc1	ZINC000019809267	553617979	/nfs/dbraw/zinc/61/79/79/553617979.db2.gz	SZQBFWYBAQLIIN-OAQYLSRUSA-N	0	0	503.024	3.012	50	0		KGAARN
COc1ccc(N2C(=O)[C@H](CC(=O)Nc3ccc(Cl)cc3)N(CCN3CCOCC3)C2=S)cc1	ZINC000019809271	553618070	/nfs/dbraw/zinc/61/80/70/553618070.db2.gz	SZQBFWYBAQLIIN-NRFANRHFSA-N	0	0	503.024	3.012	50	0		KGAARN
COc1ccc(S(=O)(=O)N(C)CC(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1OC	ZINC000019809720	553618139	/nfs/dbraw/zinc/61/81/39/553618139.db2.gz	AFUNYPRBKNRSQP-UHFFFAOYSA-N	0	0	523.655	3.258	50	0		KGAARN
CCOc1ccc(-n2c(SCC(=O)Nc3ccc(S(N)(=O)=O)cc3)nnc2-c2ccncc2)cc1	ZINC000019823276	553620672	/nfs/dbraw/zinc/62/06/72/553620672.db2.gz	UYRTUYKSLMJPCB-UHFFFAOYSA-N	0	0	510.601	3.106	50	0		KGAARN
Cc1ccc(S(=O)(=O)N2CCN(C(=O)CSc3nc4ccccc4nc3N3CCCC3)CC2)cc1	ZINC000019825216	553621113	/nfs/dbraw/zinc/62/11/13/553621113.db2.gz	HOFYSROXLHUDSL-UHFFFAOYSA-N	0	0	511.673	3.164	50	0		KGAARN
Cc1cc(C)nc(N2CCN(C(=O)CSc3nc4ccccc4nc3N3C[C@@H](C)O[C@H](C)C3)CC2)n1	ZINC000019825302	553621077	/nfs/dbraw/zinc/62/10/77/553621077.db2.gz	URNNGJDYPYWPNE-WOJBJXKFSA-N	0	0	507.664	3.091	50	0		KGAARN
Cc1cc(C)nc(N2CCN(C(=O)CSc3nc4ccccc4nc3N3C[C@@H](C)O[C@@H](C)C3)CC2)n1	ZINC000019825304	553621200	/nfs/dbraw/zinc/62/12/00/553621200.db2.gz	URNNGJDYPYWPNE-BGYRXZFFSA-N	0	0	507.664	3.091	50	0		KGAARN
Cc1cc(C)nc(N2CCN(C(=O)CSc3nc4ccccc4nc3N3C[C@H](C)O[C@@H](C)C3)CC2)n1	ZINC000019825311	553621135	/nfs/dbraw/zinc/62/11/35/553621135.db2.gz	URNNGJDYPYWPNE-PMACEKPBSA-N	0	0	507.664	3.091	50	0		KGAARN
O=C(CSc1nc2ccccc2nc1N1CCCCC1)N1CCN(S(=O)(=O)c2ccccc2)CC1	ZINC000019825344	193888866	/nfs/dbraw/zinc/88/88/66/193888866.db2.gz	AFPDREYCGOFTIT-UHFFFAOYSA-N	0	0	511.673	3.245	50	0		KGAARN
CCOC(=O)c1c2cc(O)c(Br)cc2n(-c2ccccc2)c1CN1CCN(CCO)CC1	ZINC000019830660	553622588	/nfs/dbraw/zinc/62/25/88/553622588.db2.gz	LAMMKLVPNOMHMX-UHFFFAOYSA-N	0	0	502.409	3.385	50	0		KGAARN
CCCCc1ccc(NC(=O)C(=O)NCCN2CCN(C(=O)c3ccc(Br)cc3)CC2)cc1	ZINC000019831116	553622686	/nfs/dbraw/zinc/62/26/86/553622686.db2.gz	ADWPDAQHHVRHIZ-UHFFFAOYSA-N	0	0	515.452	3.304	50	0		KGAARN
Cc1ccc(S(=O)(=O)N2CCN(C[C@@H](O)COc3ccc(C(=O)c4ccccc4)cc3)CC2)c(C)c1	ZINC000019831940	553622969	/nfs/dbraw/zinc/62/29/69/553622969.db2.gz	QFRIXZUJWZQYQF-RUZDIDTESA-N	0	0	508.640	3.281	50	0		KGAARN
Cc1ccc(S(=O)(=O)N2CCN(C[C@H](O)COc3ccc(C(=O)c4ccccc4)cc3)CC2)c(C)c1	ZINC000019831941	553623008	/nfs/dbraw/zinc/62/30/08/553623008.db2.gz	QFRIXZUJWZQYQF-VWLOTQADSA-N	0	0	508.640	3.281	50	0		KGAARN
O=S(=O)(c1ccccc1)N1CCN(C[C@@H](O)COc2ccc3cc(Br)ccc3c2)CC1	ZINC000019832021	553623056	/nfs/dbraw/zinc/62/30/56/553623056.db2.gz	HCRWKKPJYKFKIR-OAQYLSRUSA-N	0	0	505.434	3.349	50	0		KGAARN
O=S(=O)(c1ccccc1)N1CCN(C[C@H](O)COc2ccc3cc(Br)ccc3c2)CC1	ZINC000019832024	553622998	/nfs/dbraw/zinc/62/29/98/553622998.db2.gz	HCRWKKPJYKFKIR-NRFANRHFSA-N	0	0	505.434	3.349	50	0		KGAARN
COc1cc(CN(Cc2ccncc2)C(=O)CCn2nc(C)cc2C)cc(OC)c1OCCN1CCOCC1	ZINC000019841078	553623322	/nfs/dbraw/zinc/62/33/22/553623322.db2.gz	LXKZGNWMUHNYTQ-UHFFFAOYSA-N	0	0	537.661	3.242	50	0		KGAARN
NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](CSCc1ccccc1)NC(=O)OCc1ccccc1	ZINC000019862669	553628872	/nfs/dbraw/zinc/62/88/72/553628872.db2.gz	MVIPRXGWJDLTBE-BJKOFHAPSA-N	0	0	507.612	3.133	50	0		KGAARN
NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CSCc1ccccc1)NC(=O)OCc1ccccc1	ZINC000019862671	553628942	/nfs/dbraw/zinc/62/89/42/553628942.db2.gz	MVIPRXGWJDLTBE-ZEQRLZLVSA-N	0	0	507.612	3.133	50	0		KGAARN
O=C(NCCN1CCOCC1)/C(=C/c1cn(-c2ccccc2)nc1-c1ccccc1)NC(=O)c1ccco1	ZINC000019863390	553629080	/nfs/dbraw/zinc/62/90/80/553629080.db2.gz	SPACONAIAJGOLY-QQTULTPQSA-N	0	0	511.582	3.352	50	0		KGAARN
COc1cc(Br)cc2cc(C(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)c(=O)oc21	ZINC000019873898	553629307	/nfs/dbraw/zinc/62/93/07/553629307.db2.gz	WPFPOPVRVKUKBS-UHFFFAOYSA-N	0	0	501.333	3.251	50	0		KGAARN
COc1cccc2cc(C(=O)N3CCN(CCN4C(=O)c5cccc6cccc(c65)C4=O)CC3)c(=O)oc21	ZINC000019891031	553630160	/nfs/dbraw/zinc/63/01/60/553630160.db2.gz	XSWAWGLKRXRZLG-UHFFFAOYSA-N	0	0	511.534	3.009	50	0		KGAARN
CC(C)[C@H](NC(=O)[C@@H](CCCCNC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1)C(N)=O	ZINC000019891902	553630062	/nfs/dbraw/zinc/63/00/62/553630062.db2.gz	UMSHUTAKFPRRIO-PKTZIBPZSA-N	0	0	512.607	3.004	50	0		KGAARN
CC(C)[C@H](NC(=O)[C@H](CCCCNC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1)C(N)=O	ZINC000019891907	553630041	/nfs/dbraw/zinc/63/00/41/553630041.db2.gz	UMSHUTAKFPRRIO-GOTSBHOMSA-N	0	0	512.607	3.004	50	0		KGAARN
CC[C@@H](C)[C@H](NC(=O)[C@@H](CCCCNC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1)C(N)=O	ZINC000019891919	553630302	/nfs/dbraw/zinc/63/03/02/553630302.db2.gz	JISDIDZGOCZLPD-HUVFLSCGSA-N	0	0	526.634	3.394	50	0		KGAARN
CC[C@H](C)[C@H](NC(=O)[C@@H](CCCCNC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1)C(N)=O	ZINC000019891922	553630299	/nfs/dbraw/zinc/63/02/99/553630299.db2.gz	JISDIDZGOCZLPD-ZTCOLXNVSA-N	0	0	526.634	3.394	50	0		KGAARN
CC(C)C[C@H](NC(=O)[C@@H](CCCCNC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1)C(N)=O	ZINC000019891928	553630306	/nfs/dbraw/zinc/63/03/06/553630306.db2.gz	MDSAFUAIUWMPKH-RPWUZVMVSA-N	0	0	526.634	3.394	50	0		KGAARN
CC(C)C[C@H](NC(=O)[C@H](CCCCNC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1)C(N)=O	ZINC000019891934	553630327	/nfs/dbraw/zinc/63/03/27/553630327.db2.gz	MDSAFUAIUWMPKH-ZEQRLZLVSA-N	0	0	526.634	3.394	50	0		KGAARN
CCOC(=O)[C@@H](c1ccccc1)n1cc(I)c(=O)c(I)c1	ZINC000019899165	553632532	/nfs/dbraw/zinc/63/25/32/553632532.db2.gz	SUTVPZANEGPWEQ-CYBMUJFWSA-N	0	0	509.081	3.210	50	0		KGAARN
CCOC(=O)[C@H](c1ccccc1)n1cc(I)c(=O)c(I)c1	ZINC000019899166	553632521	/nfs/dbraw/zinc/63/25/21/553632521.db2.gz	SUTVPZANEGPWEQ-ZDUSSCGKSA-N	0	0	509.081	3.210	50	0		KGAARN
Cc1c2c(cc(=O)n1CCN1CCOCC1)n(Cc1ccccc1)n(-c1nc3ccccc3s1)c2=O	ZINC000019899366	553632580	/nfs/dbraw/zinc/63/25/80/553632580.db2.gz	QUJNIONYYQHNEF-UHFFFAOYSA-N	0	0	501.612	3.253	50	0		KGAARN
COc1ccc([C@@H]2CC(=O)c3cnc(N4CCN(Cc5ccc6c(c5)OCO6)CC4)nc3C2)c(OC)c1	ZINC000019899672	553632592	/nfs/dbraw/zinc/63/25/92/553632592.db2.gz	HPFOHVNBVRTRFC-IBGZPJMESA-N	0	0	502.571	3.457	50	0		KGAARN
COc1ccc([C@H]2CC(=O)c3cnc(N4CCN(Cc5ccc6c(c5)OCO6)CC4)nc3C2)c(OC)c1	ZINC000019899674	553632514	/nfs/dbraw/zinc/63/25/14/553632514.db2.gz	HPFOHVNBVRTRFC-LJQANCHMSA-N	0	0	502.571	3.457	50	0		KGAARN
COc1ccc([C@@H]2CC(=O)c3cnc(N4CCN(Cc5ccc6c(c5)OCO6)CC4)nc3C2)cc1OC	ZINC000019899754	553632918	/nfs/dbraw/zinc/63/29/18/553632918.db2.gz	LCRZFMWJJWBBKN-FQEVSTJZSA-N	0	0	502.571	3.457	50	0		KGAARN
COc1ccc([C@H]2CC(=O)c3cnc(N4CCN(Cc5ccc6c(c5)OCO6)CC4)nc3C2)cc1OC	ZINC000019899756	553632823	/nfs/dbraw/zinc/63/28/23/553632823.db2.gz	LCRZFMWJJWBBKN-HXUWFJFHSA-N	0	0	502.571	3.457	50	0		KGAARN
CC(=O)c1ccc(NC(=O)[C@@H]2C=C([O-])NC(N3CCN(C(c4ccccc4)c4ccccc4)CC3)=[NH+]2)cc1	ZINC000019944183	553646197	/nfs/dbraw/zinc/64/61/97/553646197.db2.gz	ARDDBUUCEMEEPF-SANMLTNESA-N	0	0	509.610	3.479	50	0		KGAARN
CC(=O)c1ccc(NC(=O)[C@H]2C=C([O-])NC(N3CCN(C(c4ccccc4)c4ccccc4)CC3)=[NH+]2)cc1	ZINC000019944185	553646079	/nfs/dbraw/zinc/64/60/79/553646079.db2.gz	ARDDBUUCEMEEPF-AREMUKBSSA-N	0	0	509.610	3.479	50	0		KGAARN
CCOC(=O)c1[nH]c2ccc(OC)cc2c1NC(=O)[C@@H](C)N1CCN(Cc2ccc3c(c2)OCO3)CC1	ZINC000019949357	553646696	/nfs/dbraw/zinc/64/66/96/553646696.db2.gz	MGXNUVQLUMCFLT-QGZVFWFLSA-N	0	0	508.575	3.227	50	0		KGAARN
COc1cc(/C=C/C(=O)N2CCN(CCN3C(=O)c4cccc5cccc(c54)C3=O)CC2)cc(OC)c1OC	ZINC000020029172	553663855	/nfs/dbraw/zinc/66/38/55/553663855.db2.gz	ZDRAHHVOFGFZTC-ZHACJKMWSA-N	0	0	529.593	3.319	50	0		KGAARN
CCN(C[C@H](O)CN(c1ccccc1OC)S(=O)(=O)c1ccccc1)S(=O)(=O)c1ccc(C)cc1	ZINC000020034532	553667108	/nfs/dbraw/zinc/66/71/08/553667108.db2.gz	LUOYHXGKKXAMDQ-NRFANRHFSA-N	0	0	518.657	3.271	50	0		KGAARN
CC(=O)Oc1ccc(OC(C)=O)c(C2=C3C(=O)N(CCc4c[nH]c5ccccc45)CC(=O)N3CCC2)c1	ZINC000020035119	553667388	/nfs/dbraw/zinc/66/73/88/553667388.db2.gz	GVWLOCVNJNKCQK-UHFFFAOYSA-N	0	0	501.539	3.437	50	0		KGAARN
CCOC(=O)N1CCN(CC(=O)N2CCCc3c4cc(OCc5ccccc5)ccc4oc(=O)c32)CC1	ZINC000020035823	553667600	/nfs/dbraw/zinc/66/76/00/553667600.db2.gz	YHLWICYXAHUQAO-UHFFFAOYSA-N	0	0	505.571	3.425	50	0		KGAARN
O=C(c1ccc(C(=O)N2NC(C3CC3)=C[C@@]2(O)C(F)(F)F)cc1)N1NC(C2CC2)=C[C@@]1(O)C(F)(F)F	ZINC000020038199	553668012	/nfs/dbraw/zinc/66/80/12/553668012.db2.gz	RJJREVKINGCODG-WOJBJXKFSA-N	0	0	518.414	3.412	50	0		KGAARN
O=C(c1ccc(C(=O)N2NC(C3CC3)=C[C@]2(O)C(F)(F)F)cc1)N1NC(C2CC2)=C[C@@]1(O)C(F)(F)F	ZINC000020038203	553667959	/nfs/dbraw/zinc/66/79/59/553667959.db2.gz	RJJREVKINGCODG-BGYRXZFFSA-N	0	0	518.414	3.412	50	0		KGAARN
O=C(c1ccc(C(=O)N2NC(C3CC3)=C[C@]2(O)C(F)(F)F)cc1)N1NC(C2CC2)=C[C@]1(O)C(F)(F)F	ZINC000020038209	553667904	/nfs/dbraw/zinc/66/79/04/553667904.db2.gz	RJJREVKINGCODG-PMACEKPBSA-N	0	0	518.414	3.412	50	0		KGAARN
COc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=S)N2CCN2CCOCC2)cc1	ZINC000020057813	553671444	/nfs/dbraw/zinc/67/14/44/553671444.db2.gz	CDJSIYCBTTYDEY-NRFANRHFSA-N	0	0	503.024	3.012	50	0		KGAARN
COc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=S)N2CCN2CCOCC2)cc1	ZINC000020057814	553671378	/nfs/dbraw/zinc/67/13/78/553671378.db2.gz	CDJSIYCBTTYDEY-OAQYLSRUSA-N	0	0	503.024	3.012	50	0		KGAARN
CCOC(=O)N1CCN(C(=O)c2cnn3c2nc(-c2ccc(OC)c(OC)c2)cc3C(F)(F)F)CC1	ZINC000020102005	553687193	/nfs/dbraw/zinc/68/71/93/553687193.db2.gz	PQVOZQUKHNFWKN-UHFFFAOYSA-N	0	0	507.469	3.347	50	0		KGAARN
CCOC(=O)CSc1nc2cc(C(=O)N3CCN(C(=O)OCC)CC3)ccc2c(=O)n1C1CCCCC1	ZINC000020102100	553687311	/nfs/dbraw/zinc/68/73/11/553687311.db2.gz	ZPRPGHHCWUWDEE-UHFFFAOYSA-N	0	0	530.647	3.471	50	0		KGAARN
COc1ccccc1-n1cc(C(=O)NCC(=O)N2CCN(Cc3ccccc3)CC2)c2ccccc2c1=O	ZINC000020103229	553687967	/nfs/dbraw/zinc/68/79/67/553687967.db2.gz	IOZUBCJNZLWWFJ-UHFFFAOYSA-N	0	0	510.594	3.074	50	0		KGAARN
COc1cc(OC)c(NC(=O)CCNC(=O)Cn2cnc3sc4c(c3c2=O)CCCC4)cc1Cl	ZINC000020103515	553687973	/nfs/dbraw/zinc/68/79/73/553687973.db2.gz	FQACYCVXXILCOM-UHFFFAOYSA-N	0	0	504.996	3.152	50	0		KGAARN
CCN(CCCNC(=O)CCNC(=O)Cn1cnc2sc3c(c2c1=O)CCCC3)c1cccc(C)c1	ZINC000020103605	553687853	/nfs/dbraw/zinc/68/78/53/553687853.db2.gz	HSLAHZKVYZBHDQ-UHFFFAOYSA-N	0	0	509.676	3.184	50	0		KGAARN
CC1CCN(S(=O)(=O)c2ccc3ncn(CC(=O)Nc4cccc(C(F)(F)F)c4)c(=O)c3c2)CC1	ZINC000020104514	553688768	/nfs/dbraw/zinc/68/87/68/553688768.db2.gz	VABNHTMHFXDFTJ-UHFFFAOYSA-N	0	0	508.522	3.475	50	0		KGAARN
CC1CCN(S(=O)(=O)c2ccc3ncn(CC(=O)Nc4ccc(C(F)(F)F)cc4)c(=O)c3c2)CC1	ZINC000020104526	553688763	/nfs/dbraw/zinc/68/87/63/553688763.db2.gz	QFJSIQLWLYQFRF-UHFFFAOYSA-N	0	0	508.522	3.475	50	0		KGAARN
CC1CCN(S(=O)(=O)c2ccc3ncn(CC(=O)N4CCC(Cc5ccccc5)CC4)c(=O)c3c2)CC1	ZINC000020104530	553688773	/nfs/dbraw/zinc/68/87/73/553688773.db2.gz	CSNNHNULTCGHLF-UHFFFAOYSA-N	0	0	522.671	3.298	50	0		KGAARN
Cc1sc2ncn(CC(=O)N3CCC(Cc4ccccc4)CC3)c(=O)c2c1S(=O)(=O)N1CCCCC1	ZINC000020108730	553691455	/nfs/dbraw/zinc/69/14/55/553691455.db2.gz	NMGHBCJEEBLRMY-UHFFFAOYSA-N	0	0	528.700	3.422	50	0		KGAARN
Cc1ccc(N2C(=O)Nc3ccc(Br)cc3[C@@]2(O)C(=O)NCCCN2CCOCC2)cc1C	ZINC000020112429	553694493	/nfs/dbraw/zinc/69/44/93/553694493.db2.gz	HPEBBZTXHLYDRS-XMMPIXPASA-N	0	0	517.424	3.102	50	0		KGAARN
Cc1ccc(N2C(=O)Nc3ccc(Br)cc3[C@]2(O)C(=O)NCCCN2CCOCC2)cc1C	ZINC000020112432	553694531	/nfs/dbraw/zinc/69/45/31/553694531.db2.gz	HPEBBZTXHLYDRS-DEOSSOPVSA-N	0	0	517.424	3.102	50	0		KGAARN
O=C(NCCCN1CCOCC1)[C@@]1(O)c2cc(Br)ccc2NC(=O)N1c1ccc(Cl)cc1	ZINC000020112435	553694505	/nfs/dbraw/zinc/69/45/05/553694505.db2.gz	KIGFZADLPTZFOP-QFIPXVFZSA-N	0	0	523.815	3.138	50	0		KGAARN
O=C(NCCCN1CCOCC1)[C@]1(O)c2cc(Br)ccc2NC(=O)N1c1ccc(Cl)cc1	ZINC000020112438	553694473	/nfs/dbraw/zinc/69/44/73/553694473.db2.gz	KIGFZADLPTZFOP-JOCHJYFZSA-N	0	0	523.815	3.138	50	0		KGAARN
CCOC(=O)C1CCN(C(=O)[C@H]2c3cc(OC)c(OC)cc3C(=O)N(C)[C@@H]2c2ccc(OC)cc2)CC1	ZINC000020112793	553694806	/nfs/dbraw/zinc/69/48/06/553694806.db2.gz	DARTZVKNRRIMFN-LOSJGSFVSA-N	0	0	510.587	3.425	50	0		KGAARN
CCOC(=O)C1CCN(C(=O)[C@@H]2c3cc(OC)c(OC)cc3C(=O)N(C)[C@@H]2c2ccc(OC)cc2)CC1	ZINC000020112796	553694787	/nfs/dbraw/zinc/69/47/87/553694787.db2.gz	DARTZVKNRRIMFN-JWQCQUIFSA-N	0	0	510.587	3.425	50	0		KGAARN
CCOC(=O)C1CCN(C(=O)[C@H]2c3cc(OC)c(OC)cc3C(=O)N(C)[C@H]2c2ccc(OC)cc2)CC1	ZINC000020112799	553694829	/nfs/dbraw/zinc/69/48/29/553694829.db2.gz	DARTZVKNRRIMFN-DQEYMECFSA-N	0	0	510.587	3.425	50	0		KGAARN
CCOC(=O)C1CCN(C(=O)[C@@H]2c3cc(OC)c(OC)cc3C(=O)N(C)[C@H]2c2ccc(OC)cc2)CC1	ZINC000020112802	553694790	/nfs/dbraw/zinc/69/47/90/553694790.db2.gz	DARTZVKNRRIMFN-RPBOFIJWSA-N	0	0	510.587	3.425	50	0		KGAARN
COc1ccc([C@@H]2[C@@H](C(=O)N3CCN(c4ccccn4)CC3)c3cc(OC)c(OC)cc3C(=O)N2C)cc1	ZINC000020112993	553695058	/nfs/dbraw/zinc/69/50/58/553695058.db2.gz	JRWNEBNHNOPMBX-RRPNLBNLSA-N	0	0	516.598	3.367	50	0		KGAARN
COc1ccc([C@H]2[C@@H](C(=O)N3CCN(c4ccccn4)CC3)c3cc(OC)c(OC)cc3C(=O)N2C)cc1	ZINC000020112996	553695041	/nfs/dbraw/zinc/69/50/41/553695041.db2.gz	JRWNEBNHNOPMBX-SVBPBHIXSA-N	0	0	516.598	3.367	50	0		KGAARN
COc1ccc([C@@H]2[C@H](C(=O)N3CCN(c4ccccn4)CC3)c3cc(OC)c(OC)cc3C(=O)N2C)cc1	ZINC000020112998	553695021	/nfs/dbraw/zinc/69/50/21/553695021.db2.gz	JRWNEBNHNOPMBX-KAYWLYCHSA-N	0	0	516.598	3.367	50	0		KGAARN
COc1ccc([C@H]2[C@H](C(=O)N3CCN(c4ccccn4)CC3)c3cc(OC)c(OC)cc3C(=O)N2C)cc1	ZINC000020113000	553695045	/nfs/dbraw/zinc/69/50/45/553695045.db2.gz	JRWNEBNHNOPMBX-SXOMAYOGSA-N	0	0	516.598	3.367	50	0		KGAARN
CCOC(=O)[C@@H]1CCCN(C(=O)[C@H]2c3cc(OC)c(OC)cc3C(=O)N(C)[C@@H]2c2ccc(OC)cc2)C1	ZINC000020113009	553695133	/nfs/dbraw/zinc/69/51/33/553695133.db2.gz	OQHYGNKIMBNTMM-AYCKEJKLSA-N	0	0	510.587	3.425	50	0		KGAARN
CCOC(=O)[C@@H]1CCCN(C(=O)[C@@H]2c3cc(OC)c(OC)cc3C(=O)N(C)[C@@H]2c2ccc(OC)cc2)C1	ZINC000020113015	553695121	/nfs/dbraw/zinc/69/51/21/553695121.db2.gz	OQHYGNKIMBNTMM-ZYKLXPEUSA-N	0	0	510.587	3.425	50	0		KGAARN
COc1ccc(N2C(=O)CC[C@H](C(=O)NCCCN3CCOCC3)[C@@H]2c2ccc(OC)c(OC)c2)cc1	ZINC000020113631	553695379	/nfs/dbraw/zinc/69/53/79/553695379.db2.gz	LNJDXQDFIFBFCX-HOFKKMOUSA-N	0	0	511.619	3.035	50	0		KGAARN
COc1ccc(N2C(=O)CC[C@H](C(=O)NCCCN3CCOCC3)[C@H]2c2ccc(OC)c(OC)c2)cc1	ZINC000020113634	553695372	/nfs/dbraw/zinc/69/53/72/553695372.db2.gz	LNJDXQDFIFBFCX-WNCULLNHSA-N	0	0	511.619	3.035	50	0		KGAARN
COc1ccc(N2C(=O)CC[C@@H](C(=O)NCCCN3CCOCC3)[C@@H]2c2ccc(OC)c(OC)c2)cc1	ZINC000020113637	553695360	/nfs/dbraw/zinc/69/53/60/553695360.db2.gz	LNJDXQDFIFBFCX-KCWPFWIISA-N	0	0	511.619	3.035	50	0		KGAARN
COc1ccc(N2C(=O)CC[C@@H](C(=O)NCCCN3CCOCC3)[C@H]2c2ccc(OC)c(OC)c2)cc1	ZINC000020113639	553695458	/nfs/dbraw/zinc/69/54/58/553695458.db2.gz	LNJDXQDFIFBFCX-YIXXDRMTSA-N	0	0	511.619	3.035	50	0		KGAARN
CC(=O)NCCN1C(=S)N(c2ccc(C)cc2)C(=O)[C@@H]1CC(=O)Nc1ccc(Br)cc1	ZINC000020114870	553696009	/nfs/dbraw/zinc/69/60/09/553696009.db2.gz	ZNJOXAMUQTUHFM-IBGZPJMESA-N	0	0	503.422	3.225	50	0		KGAARN
CC(=O)NCCN1C(=S)N(c2ccc(C)cc2)C(=O)[C@H]1CC(=O)Nc1ccc(Br)cc1	ZINC000020114872	553696018	/nfs/dbraw/zinc/69/60/18/553696018.db2.gz	ZNJOXAMUQTUHFM-LJQANCHMSA-N	0	0	503.422	3.225	50	0		KGAARN
COc1ccc(N2C(=O)[C@@H](CC(=O)Nc3ccc(Cl)cc3)N(CCNC(C)=O)C2=S)cc1Cl	ZINC000020114906	553696056	/nfs/dbraw/zinc/69/60/56/553696056.db2.gz	RZQROARJGDEZHI-GOSISDBHSA-N	0	0	509.415	3.469	50	0		KGAARN
COc1ccc(N2C(=O)[C@H](CC(=O)Nc3ccc(Cl)cc3)N(CCNC(C)=O)C2=S)cc1Cl	ZINC000020114908	553695967	/nfs/dbraw/zinc/69/59/67/553695967.db2.gz	RZQROARJGDEZHI-SFHVURJKSA-N	0	0	509.415	3.469	50	0		KGAARN
CCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(OC)c(Cl)c3)C(=S)N2CCNC(C)=O)cc1	ZINC000020114914	553695961	/nfs/dbraw/zinc/69/59/61/553695961.db2.gz	YORCYBOHJHGEHP-FQEVSTJZSA-N	0	0	519.023	3.214	50	0		KGAARN
CCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(OC)c(Cl)c3)C(=S)N2CCNC(C)=O)cc1	ZINC000020114916	553695973	/nfs/dbraw/zinc/69/59/73/553695973.db2.gz	YORCYBOHJHGEHP-HXUWFJFHSA-N	0	0	519.023	3.214	50	0		KGAARN
CC(=O)NCCN1C(=S)N(c2ccc(F)cc2)C(=O)[C@@H]1CC(=O)Nc1ccc(Br)cc1	ZINC000020115012	553696383	/nfs/dbraw/zinc/69/63/83/553696383.db2.gz	BRIMFWLHPCBQIF-SFHVURJKSA-N	0	0	507.385	3.055	50	0		KGAARN
CC(=O)NCCN1C(=S)N(c2ccc(F)cc2)C(=O)[C@H]1CC(=O)Nc1ccc(Br)cc1	ZINC000020115014	553696290	/nfs/dbraw/zinc/69/62/90/553696290.db2.gz	BRIMFWLHPCBQIF-GOSISDBHSA-N	0	0	507.385	3.055	50	0		KGAARN
CCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3cccc(SC)c3)C(=S)N2CCNC(C)=O)cc1	ZINC000020115076	553696269	/nfs/dbraw/zinc/69/62/69/553696269.db2.gz	MXIUZKWZLCDJDP-NRFANRHFSA-N	0	0	500.646	3.274	50	0		KGAARN
CCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3cccc(SC)c3)C(=S)N2CCNC(C)=O)cc1	ZINC000020115078	553696327	/nfs/dbraw/zinc/69/63/27/553696327.db2.gz	MXIUZKWZLCDJDP-OAQYLSRUSA-N	0	0	500.646	3.274	50	0		KGAARN
CCCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(OCC)cc3)C(=S)N2CCNC(C)=O)cc1	ZINC000020115084	553696347	/nfs/dbraw/zinc/69/63/47/553696347.db2.gz	CWYSZELHUALKRB-QHCPKHFHSA-N	0	0	512.632	3.341	50	0		KGAARN
CCCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(OCC)cc3)C(=S)N2CCNC(C)=O)cc1	ZINC000020115086	553696296	/nfs/dbraw/zinc/69/62/96/553696296.db2.gz	CWYSZELHUALKRB-HSZRJFAPSA-N	0	0	512.632	3.341	50	0		KGAARN
CCn1cc(C(=O)N2CCN(Cc3ccc(OC)c(OC)c3OC)CC2)c2cc(OC)c(OC)cc2c1=O	ZINC000020116469	553697505	/nfs/dbraw/zinc/69/75/05/553697505.db2.gz	VEGPHXOFTKIXON-UHFFFAOYSA-N	0	0	525.602	3.022	50	0		KGAARN
COc1cc2c(C(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)cn(CC(C)C)c(=O)c2cc1OC	ZINC000020116494	553697405	/nfs/dbraw/zinc/69/74/05/553697405.db2.gz	RJWISIIAKFEVDO-UHFFFAOYSA-N	0	0	507.587	3.361	50	0		KGAARN
CCN1CCN(C(=O)[C@@H]2CCC(=O)N(c3cc(OC)c(OC)c(OC)c3)[C@@H]2c2ccc(OC)cc2)CC1	ZINC000020116829	553697596	/nfs/dbraw/zinc/69/75/96/553697596.db2.gz	AGXXAXDHMFSSAU-ATIYNZHBSA-N	0	0	511.619	3.369	50	0		KGAARN
CCN1CCN(C(=O)[C@H]2CCC(=O)N(c3cc(OC)c(OC)c(OC)c3)[C@@H]2c2ccc(OC)cc2)CC1	ZINC000020116831	553697606	/nfs/dbraw/zinc/69/76/06/553697606.db2.gz	AGXXAXDHMFSSAU-BKMJKUGQSA-N	0	0	511.619	3.369	50	0		KGAARN
CCN1CCN(C(=O)[C@@H]2CCC(=O)N(c3cc(OC)c(OC)c(OC)c3)[C@H]2c2ccc(OC)cc2)CC1	ZINC000020116833	553697623	/nfs/dbraw/zinc/69/76/23/553697623.db2.gz	AGXXAXDHMFSSAU-GJZUVCINSA-N	0	0	511.619	3.369	50	0		KGAARN
CCN1CCN(C(=O)[C@H]2CCC(=O)N(c3cc(OC)c(OC)c(OC)c3)[C@H]2c2ccc(OC)cc2)CC1	ZINC000020116835	553697613	/nfs/dbraw/zinc/69/76/13/553697613.db2.gz	AGXXAXDHMFSSAU-NVQXNPDNSA-N	0	0	511.619	3.369	50	0		KGAARN
COc1ccccc1NC(=O)Cn1cnc2sc(C)c(S(=O)(=O)N3C[C@H](C)C[C@H](C)C3)c2c1=O	ZINC000020116841	553697642	/nfs/dbraw/zinc/69/76/42/553697642.db2.gz	QWXFOSRLZBDRNL-GASCZTMLSA-N	0	0	504.634	3.080	50	0		KGAARN
COc1ccccc1NC(=O)Cn1cnc2sc(C)c(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)c2c1=O	ZINC000020116843	553697628	/nfs/dbraw/zinc/69/76/28/553697628.db2.gz	QWXFOSRLZBDRNL-HUUCEWRRSA-N	0	0	504.634	3.080	50	0		KGAARN
COc1ccccc1NC(=O)Cn1cnc2sc(C)c(S(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)c2c1=O	ZINC000020116845	553697589	/nfs/dbraw/zinc/69/75/89/553697589.db2.gz	QWXFOSRLZBDRNL-GJZGRUSLSA-N	0	0	504.634	3.080	50	0		KGAARN
CCOc1ccc(NC(=O)Cn2cnc3sc(C)c(S(=O)(=O)N4C[C@H](C)C[C@@H](C)C4)c3c2=O)cc1	ZINC000020116918	553697653	/nfs/dbraw/zinc/69/76/53/553697653.db2.gz	RRXJSTDVWSXMHX-HZPDHXFCSA-N	0	0	518.661	3.470	50	0		KGAARN
CCOc1ccc(NC(=O)Cn2cnc3sc(C)c(S(=O)(=O)N4C[C@@H](C)C[C@H](C)C4)c3c2=O)cc1	ZINC000020116920	553697638	/nfs/dbraw/zinc/69/76/38/553697638.db2.gz	RRXJSTDVWSXMHX-HOTGVXAUSA-N	0	0	518.661	3.470	50	0		KGAARN
COc1ccc(C)cc1NC(=O)Cn1cnc2sc(C)c(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)c2c1=O	ZINC000020116939	553697579	/nfs/dbraw/zinc/69/75/79/553697579.db2.gz	URFAMFZHNNUAQC-HZPDHXFCSA-N	0	0	518.661	3.389	50	0		KGAARN
CCOC(=O)C1=C(CS(=O)(=O)c2ccc(F)c(Cl)c2)NC(=O)N[C@@H]1c1ccc(OC)c(OC)c1	ZINC000020131539	553591718	/nfs/dbraw/zinc/59/17/18/553591718.db2.gz	DIVOBAQAGPPSQG-HXUWFJFHSA-N	0	0	512.943	3.141	50	0		KGAARN
CCOC(=O)C1=C(CS(=O)(=O)c2ccc(F)c(Cl)c2)NC(=O)N[C@H]1c1ccc(OC)c(OC)c1	ZINC000020131542	553591700	/nfs/dbraw/zinc/59/17/00/553591700.db2.gz	DIVOBAQAGPPSQG-FQEVSTJZSA-N	0	0	512.943	3.141	50	0		KGAARN
CCOC(=O)C1=C(CS(=O)(=O)c2ccc(Cl)cc2)NC(=O)N[C@@H]1c1cc(OC)c(OC)c(OC)c1	ZINC000020131546	553591674	/nfs/dbraw/zinc/59/16/74/553591674.db2.gz	FCQCQMDADOFWOI-HXUWFJFHSA-N	0	0	524.979	3.011	50	0		KGAARN
CCOC(=O)C1=C(CS(=O)(=O)c2ccc(Cl)cc2)NC(=O)N[C@H]1c1cc(OC)c(OC)c(OC)c1	ZINC000020131550	553591706	/nfs/dbraw/zinc/59/17/06/553591706.db2.gz	FCQCQMDADOFWOI-FQEVSTJZSA-N	0	0	524.979	3.011	50	0		KGAARN
Cn1c2nnc(CCCC(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)n2c2ccsc2c1=O	ZINC000020131815	553591639	/nfs/dbraw/zinc/59/16/39/553591639.db2.gz	ROJIDWDRRGAKJT-UHFFFAOYSA-N	0	0	504.538	3.333	50	0		KGAARN
Cc1cc(N2CCOCC2)nc2ccc(NC(=O)CCC(=O)N3CCN(Cc4ccccc4)CC3)cc12	ZINC000020136004	553593473	/nfs/dbraw/zinc/59/34/73/553593473.db2.gz	VATODHSKJMFCJI-UHFFFAOYSA-N	0	0	501.631	3.443	50	0		KGAARN
COc1ccc([C@@H]2[NH2+][C@](Cc3ccccc3)(C(=O)[O-])[C@H]3C(=O)N(c4ccccc4OC)C(=O)[C@H]23)cc1OC	ZINC000020138426	553593951	/nfs/dbraw/zinc/59/39/51/553593951.db2.gz	YLZHNWZPEKICOR-JLMYGFKKSA-N	0	0	516.550	3.229	50	0		KGAARN
Cc1cc(C)c(NC(=O)Cn2c3ccsc3c(=O)n(CCC(=O)NCc3ccccc3)c2=O)c(C)c1	ZINC000020139120	553594428	/nfs/dbraw/zinc/59/44/28/553594428.db2.gz	CLMXPXMJUSDYDH-UHFFFAOYSA-N	0	0	504.612	3.495	50	0		KGAARN
COc1ccc(C=O)cc1Cn1c2ccsc2c(=O)n(CCC(=O)NCc2ccccc2Cl)c1=O	ZINC000020151586	553595749	/nfs/dbraw/zinc/59/57/49/553595749.db2.gz	SIVDHLBOSGJHEK-UHFFFAOYSA-N	0	0	511.987	3.454	50	0		KGAARN
O=C(CCn1c(=O)c2sccc2n(CC(=O)Nc2ccccc2F)c1=O)NCc1ccccc1Cl	ZINC000020151593	553595993	/nfs/dbraw/zinc/59/59/93/553595993.db2.gz	PIZHZPYWJZSSDE-UHFFFAOYSA-N	0	0	514.966	3.362	50	0		KGAARN
CCCN(CCC)C(=O)Cn1c2ccsc2c(=O)n(CCC(=O)NCCc2ccc(Cl)cc2)c1=O	ZINC000020151624	553596004	/nfs/dbraw/zinc/59/60/04/553596004.db2.gz	BKNYIKRLHRTBDW-UHFFFAOYSA-N	0	0	519.067	3.276	50	0		KGAARN
CN(C(=O)Cn1c2ccsc2c(=O)n(CCC(=O)NCCc2ccc(Cl)cc2)c1=O)c1ccccc1	ZINC000020151630	553595983	/nfs/dbraw/zinc/59/59/83/553595983.db2.gz	NHBZYRCEBIVAOQ-UHFFFAOYSA-N	0	0	525.030	3.290	50	0		KGAARN
COc1ccc(CCNC(=O)Cn2c3sc(C)c(C)c3c(=O)n(-c3ccc(F)cc3)c2=O)cc1OC	ZINC000020151670	553596046	/nfs/dbraw/zinc/59/60/46/553596046.db2.gz	AGYMPKQHAFVGIA-UHFFFAOYSA-N	0	0	511.575	3.346	50	0		KGAARN
CCOc1ccc(NC(=O)Cn2c3ccccc3c(=O)n(CCC(=O)N3CCc4ccccc4C3)c2=O)cc1	ZINC000020152754	553596581	/nfs/dbraw/zinc/59/65/81/553596581.db2.gz	QUDJDHZAIIIEQA-UHFFFAOYSA-N	0	0	526.593	3.176	50	0		KGAARN
CCc1ccc(NC(=O)Cn2c3ccccc3c(=O)n(CCC(=O)NCc3ccccc3OC)c2=O)cc1	ZINC000020152764	553596548	/nfs/dbraw/zinc/59/65/48/553596548.db2.gz	BPSHRMBVXRBCCB-UHFFFAOYSA-N	0	0	514.582	3.079	50	0		KGAARN
COc1ccc(CCNC(=O)CCn2c(=O)c3ccccc3n(Cc3ccc(C)cc3)c2=O)cc1OC	ZINC000020152794	553596752	/nfs/dbraw/zinc/59/67/52/553596752.db2.gz	PUUSGMNDQLVRIV-UHFFFAOYSA-N	0	0	501.583	3.286	50	0		KGAARN
COc1ccc(CCNC(=O)CCn2c(=O)c3ccccc3n(Cc3ccc(F)cc3)c2=O)cc1OC	ZINC000020152798	553596825	/nfs/dbraw/zinc/59/68/25/553596825.db2.gz	SDHDHGMYIIACCK-UHFFFAOYSA-N	0	0	505.546	3.117	50	0		KGAARN
Cc1cccc(C)c1NC(=O)Cn1c2ccccc2c(=O)n(CCC(=O)N2CCc3ccccc3C2)c1=O	ZINC000020152911	553596830	/nfs/dbraw/zinc/59/68/30/553596830.db2.gz	XCASHBDMNJQLME-UHFFFAOYSA-N	0	0	510.594	3.394	50	0		KGAARN
O=C(Cn1c(=O)n(CCC(=O)N2CCc3ccccc3C2)c(=O)c2ccccc21)Nc1cccc(Cl)c1	ZINC000020153050	553597154	/nfs/dbraw/zinc/59/71/54/553597154.db2.gz	MFATVUIZRAKLKJ-UHFFFAOYSA-N	0	0	516.985	3.430	50	0		KGAARN
O=C(CCn1c(=O)c2ccccc2n(CC(=O)Nc2cccc(Cl)c2)c1=O)NCCc1ccccc1	ZINC000020153086	553597188	/nfs/dbraw/zinc/59/71/88/553597188.db2.gz	ULNPGTBQEPPFKL-UHFFFAOYSA-N	0	0	504.974	3.204	50	0		KGAARN
O=C(Cn1c(=O)c2ccccc2n(CC(=O)Nc2ccc(Cl)cc2Cl)c1=O)NCc1ccco1	ZINC000020153114	553597499	/nfs/dbraw/zinc/59/74/99/553597499.db2.gz	BQQAPPCPUNWPTR-UHFFFAOYSA-N	0	0	501.326	3.018	50	0		KGAARN
COc1ccc(CCNC(=O)Cn2c3ccccc3c(=O)n(CCc3cccc(C)c3)c2=O)cc1OC	ZINC000020153140	553597458	/nfs/dbraw/zinc/59/74/58/553597458.db2.gz	DNHDVCTVXYANAY-UHFFFAOYSA-N	0	0	501.583	3.090	50	0		KGAARN
O=C(Cn1c2ccccc2c(=O)n(Cc2ccc(C(=O)NCc3ccco3)cc2)c1=O)Nc1ccccc1	ZINC000020153163	553597485	/nfs/dbraw/zinc/59/74/85/553597485.db2.gz	FHXVYQSGPFGEDR-UHFFFAOYSA-N	0	0	508.534	3.373	50	0		KGAARN
COc1ccc(NC(=O)Cn2c3cc(OC)c(OC)cc3c(=O)n(-c3ccc(C)cc3)c2=O)c(OC)c1	ZINC000020153183	553597409	/nfs/dbraw/zinc/59/74/09/553597409.db2.gz	WMEXBPHCIWGGGM-UHFFFAOYSA-N	0	0	505.527	3.134	50	0		KGAARN
COc1ccc(OC)c(NC(=O)Cn2c3cc(OC)c(OC)cc3c(=O)n(-c3ccc(C)cc3)c2=O)c1	ZINC000020153187	553597453	/nfs/dbraw/zinc/59/74/53/553597453.db2.gz	UGDOIJFDVUEMEX-UHFFFAOYSA-N	0	0	505.527	3.134	50	0		KGAARN
CCOC(=O)c1ccc(NC(=O)Cn2c3cc(OC)c(OC)cc3c(=O)n(-c3ccc(C)cc3)c2=O)cc1	ZINC000020153195	553597391	/nfs/dbraw/zinc/59/73/91/553597391.db2.gz	OQBRTOCJAJLDJF-UHFFFAOYSA-N	0	0	517.538	3.293	50	0		KGAARN
CCOc1ccc(NC(=O)Cn2c3cc(OC)c(OC)cc3c(=O)n(-c3cccc(OC)c3)c2=O)cc1	ZINC000020153201	553597471	/nfs/dbraw/zinc/59/74/71/553597471.db2.gz	WXAYTIVICNHION-UHFFFAOYSA-N	0	0	505.527	3.216	50	0		KGAARN
COc1cc2c(cc1OC)n(CC(=O)NCCc1ccccc1)c(=O)n(Cc1ccccc1Cl)c2=O	ZINC000020153240	553597695	/nfs/dbraw/zinc/59/76/95/553597695.db2.gz	AIJNXMMOJPWBOJ-UHFFFAOYSA-N	0	0	507.974	3.241	50	0		KGAARN
CCOc1ccc(C(=O)Cn2c3cc(OC)c(OC)cc3c(=O)n(C[C@@H]3CCCO3)c2=O)cc1Cl	ZINC000020153242	553597739	/nfs/dbraw/zinc/59/77/39/553597739.db2.gz	VCRYHSAVBZNPAJ-INIZCTEOSA-N	0	0	502.951	3.294	50	0		KGAARN
CCOc1ccc(C(=O)Cn2c3cc(OC)c(OC)cc3c(=O)n(C[C@H]3CCCO3)c2=O)cc1Cl	ZINC000020153244	553597712	/nfs/dbraw/zinc/59/77/12/553597712.db2.gz	VCRYHSAVBZNPAJ-MRXNPFEDSA-N	0	0	502.951	3.294	50	0		KGAARN
O=C(Cn1c2ccccc2c(=O)n(CCCS(=O)(=O)C2CCCCC2)c1=O)N1CCCc2ccccc21	ZINC000020153280	553597750	/nfs/dbraw/zinc/59/77/50/553597750.db2.gz	OMJDXURDNOYVCK-UHFFFAOYSA-N	0	0	523.655	3.280	50	0		KGAARN
O=C(Cn1c2ccccc2c(=O)n(CCCS(=O)(=O)C2CCCCC2)c1=O)NCCC1=CCCCC1	ZINC000020153284	553597741	/nfs/dbraw/zinc/59/77/41/553597741.db2.gz	WZWDDBXVABCCGG-UHFFFAOYSA-N	0	0	515.676	3.308	50	0		KGAARN
CCN(Cc1ccccc1)C(=O)Cn1c2ccccc2c(=O)n(CCCS(=O)(=O)C2CCCCC2)c1=O	ZINC000020153289	553597677	/nfs/dbraw/zinc/59/76/77/553597677.db2.gz	NBECHFOKWNTDGW-UHFFFAOYSA-N	0	0	525.671	3.350	50	0		KGAARN
CCOc1ccccc1NC(=O)Cn1c2ccccc2c(=O)n(CCCS(=O)(=O)C2CCCCC2)c1=O	ZINC000020153297	553597935	/nfs/dbraw/zinc/59/79/35/553597935.db2.gz	GKRXVLQOIREKBL-UHFFFAOYSA-N	0	0	527.643	3.338	50	0		KGAARN
O=C(Cn1c2ccccc2c(=O)n(CCCS(=O)(=O)C2CCCCC2)c1=O)Nc1ccc(F)cc1	ZINC000020153301	553597972	/nfs/dbraw/zinc/59/79/72/553597972.db2.gz	OERJCSXAUHYEEF-UHFFFAOYSA-N	0	0	501.580	3.079	50	0		KGAARN
O=C(Cn1c(=O)n(-c2ccccc2)c(=O)c2ccc(C(=O)NCc3ccco3)cc21)Nc1ccc(F)cc1	ZINC000020153314	553598023	/nfs/dbraw/zinc/59/80/23/553598023.db2.gz	ZZULWDRPFHDSFX-UHFFFAOYSA-N	0	0	512.497	3.453	50	0		KGAARN
C[C@@H]1CCCCN1C(=O)Cn1c2cc(C(=O)NCCc3ccccc3)ccc2c(=O)n(Cc2ccco2)c1=O	ZINC000020153326	553598011	/nfs/dbraw/zinc/59/80/11/553598011.db2.gz	NSDUGXRORWVNDX-OAQYLSRUSA-N	0	0	528.609	3.178	50	0		KGAARN
C[C@H]1CCCCN1C(=O)Cn1c2cc(C(=O)NCCc3ccccc3)ccc2c(=O)n(Cc2ccco2)c1=O	ZINC000020153328	553598065	/nfs/dbraw/zinc/59/80/65/553598065.db2.gz	NSDUGXRORWVNDX-NRFANRHFSA-N	0	0	528.609	3.178	50	0		KGAARN
O=C(C1CCN(S(=O)(=O)c2ccc(Br)s2)CC1)N1CCN(Cc2ccccc2)CC1	ZINC000020154215	553598656	/nfs/dbraw/zinc/59/86/56/553598656.db2.gz	MNKNKPOQNWJVFK-UHFFFAOYSA-N	0	0	512.495	3.256	50	0		KGAARN
O=C([C@@H]1CCCN(S(=O)(=O)c2ccc(Br)s2)C1)N1CCN(Cc2ccccc2)CC1	ZINC000020154301	553598543	/nfs/dbraw/zinc/59/85/43/553598543.db2.gz	MDLACDVAMQKGQH-GOSISDBHSA-N	0	0	512.495	3.256	50	0		KGAARN
O=C([C@H]1CCCN(S(=O)(=O)c2ccc(Br)s2)C1)N1CCN(Cc2ccccc2)CC1	ZINC000020154303	553598635	/nfs/dbraw/zinc/59/86/35/553598635.db2.gz	MDLACDVAMQKGQH-SFHVURJKSA-N	0	0	512.495	3.256	50	0		KGAARN
CCOc1cc2c(cc1OCC)[C@@H]1[C@@H](C(=O)NCCCN3CCCC3=O)c3ccccc3C(=O)N1CC2	ZINC000020155578	553599714	/nfs/dbraw/zinc/59/97/14/553599714.db2.gz	ZQNATADDGDVJFW-RRPNLBNLSA-N	0	0	505.615	3.450	50	0		KGAARN
CCOc1cc2c(cc1OCC)[C@@H]1[C@H](C(=O)NCCCN3CCCC3=O)c3ccccc3C(=O)N1CC2	ZINC000020155580	553599740	/nfs/dbraw/zinc/59/97/40/553599740.db2.gz	ZQNATADDGDVJFW-KAYWLYCHSA-N	0	0	505.615	3.450	50	0		KGAARN
CCOc1cc2c(cc1OCC)[C@H]1[C@H](C(=O)NCCCN3CCCC3=O)c3ccccc3C(=O)N1CC2	ZINC000020155583	553599747	/nfs/dbraw/zinc/59/97/47/553599747.db2.gz	ZQNATADDGDVJFW-SXOMAYOGSA-N	0	0	505.615	3.450	50	0		KGAARN
Cc1onc(-c2ccccc2Cl)c1C(=O)NC(=S)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1	ZINC000020156449	553600077	/nfs/dbraw/zinc/60/00/77/553600077.db2.gz	BIHQDYQMRYKXOZ-UHFFFAOYSA-N	0	0	521.020	3.451	50	0		KGAARN
CCOC(=O)c1c(C)c(C(N)=O)sc1NC(=O)CN1CCN(Cc2c(Cl)cccc2Cl)CC1	ZINC000020168023	553600973	/nfs/dbraw/zinc/60/09/73/553600973.db2.gz	PHJUEQQDPRJEDW-UHFFFAOYSA-N	0	0	513.447	3.395	50	0		KGAARN
CCOC(=O)c1c(C)c(C(N)=O)sc1NC(=O)CN1CCN(Cc2ccc(Cl)c(Cl)c2)CC1	ZINC000020168026	553600887	/nfs/dbraw/zinc/60/08/87/553600887.db2.gz	JJUKCKFWXKEJEN-UHFFFAOYSA-N	0	0	513.447	3.395	50	0		KGAARN
CCOC(=O)c1c(NC(=O)CN2CCN(Cc3ccccc3)CC2)sc2c1CCN(C(=O)OCC)C2	ZINC000020168337	553600943	/nfs/dbraw/zinc/60/09/43/553600943.db2.gz	XQPKYSYRIDAHTK-UHFFFAOYSA-N	0	0	514.648	3.196	50	0		KGAARN
CCc1nn2c(nc(C)c(S(=O)(=O)N3CCN(C(c4ccccc4)c4ccccc4)CC3)c2=O)s1	ZINC000020177718	553602756	/nfs/dbraw/zinc/60/27/56/553602756.db2.gz	JOXOBZWVMNUIPS-UHFFFAOYSA-N	0	0	509.657	3.118	50	0		KGAARN
CC(=O)N1CCc2cc(S(=O)(=O)N3CCc4ccccc4[C@@H]3CN3C(=O)c4ccccc4C3=O)ccc21	ZINC000020181938	553604638	/nfs/dbraw/zinc/60/46/38/553604638.db2.gz	UHHAWEABBCXOHN-SANMLTNESA-N	0	0	515.591	3.180	50	0		KGAARN
CC(=O)N1CCc2cc(S(=O)(=O)N3CCc4ccccc4[C@H]3CN3C(=O)c4ccccc4C3=O)ccc21	ZINC000020181940	553604574	/nfs/dbraw/zinc/60/45/74/553604574.db2.gz	UHHAWEABBCXOHN-AREMUKBSSA-N	0	0	515.591	3.180	50	0		KGAARN
C[C@@]12C[C@@H](NC(=O)N1c1cccc(C(=O)NCCc3ccc(S(N)(=O)=O)cc3)c1)c1ccccc1O2	ZINC000020182074	553604558	/nfs/dbraw/zinc/60/45/58/553604558.db2.gz	HANINPVWJNUZDY-ATIYNZHBSA-N	0	0	506.584	3.076	50	0		KGAARN
COc1ccc(NC(=O)CSc2nnc(CN(c3ccc(F)cc3)S(C)(=O)=O)n2C)cc1Cl	ZINC000020193835	553606267	/nfs/dbraw/zinc/60/62/67/553606267.db2.gz	BPVOHHROMCYHIZ-UHFFFAOYSA-N	0	0	514.004	3.313	50	0		KGAARN
COc1ccc(Cl)cc1NC(=O)CSc1nnc(CN(c2ccc(F)cc2)S(C)(=O)=O)n1C	ZINC000020193886	553606148	/nfs/dbraw/zinc/60/61/48/553606148.db2.gz	APMRRIDUMUBAFM-UHFFFAOYSA-N	0	0	514.004	3.313	50	0		KGAARN
Cn1c(CN(c2ccc(F)cc2)S(C)(=O)=O)nnc1SCC(=O)Nc1ccc(F)c(Cl)c1	ZINC000020193889	553606226	/nfs/dbraw/zinc/60/62/26/553606226.db2.gz	ZKHNLIGQQWBBKV-UHFFFAOYSA-N	0	0	501.968	3.444	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(c3cccc(OC)c3)CC2)NC(=O)N[C@@H]1c1ccc(OC(C)C)cc1	ZINC000020214390	553612911	/nfs/dbraw/zinc/61/29/11/553612911.db2.gz	VDDWBHRXYSPHCV-AREMUKBSSA-N	0	0	508.619	3.476	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(c3cccc(OC)c3)CC2)NC(=O)N[C@H]1c1ccc(OC(C)C)cc1	ZINC000020214394	553612915	/nfs/dbraw/zinc/61/29/15/553612915.db2.gz	VDDWBHRXYSPHCV-SANMLTNESA-N	0	0	508.619	3.476	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(c3ccccc3OC)CC2)NC(=O)N[C@@H]1c1ccc(OC(C)C)cc1	ZINC000020214491	553612880	/nfs/dbraw/zinc/61/28/80/553612880.db2.gz	CEQMSVFDSYTTJR-AREMUKBSSA-N	0	0	508.619	3.476	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(c3ccccc3OC)CC2)NC(=O)N[C@H]1c1ccc(OC(C)C)cc1	ZINC000020214495	553612887	/nfs/dbraw/zinc/61/28/87/553612887.db2.gz	CEQMSVFDSYTTJR-SANMLTNESA-N	0	0	508.619	3.476	50	0		KGAARN
Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)C1	ZINC000020215876	553614034	/nfs/dbraw/zinc/61/40/34/553614034.db2.gz	FTWKINOHJCHLMF-QGZVFWFLSA-N	0	0	500.543	3.060	50	0		KGAARN
Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)C1	ZINC000020215878	553614036	/nfs/dbraw/zinc/61/40/36/553614036.db2.gz	FTWKINOHJCHLMF-KRWDZBQOSA-N	0	0	500.543	3.060	50	0		KGAARN
CCOC(=O)N1CCC(N2Cc3cccc(C(=O)Nc4ccc(CN5CCOCC5)cc4)c3C2=O)CC1	ZINC000020216313	553614115	/nfs/dbraw/zinc/61/41/15/553614115.db2.gz	IVKCMTOQFYBMOQ-UHFFFAOYSA-N	0	0	506.603	3.348	50	0		KGAARN
CN1CCN(C(=O)CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(Br)cc2)CC1	ZINC000020220098	553616112	/nfs/dbraw/zinc/61/61/12/553616112.db2.gz	DYWRHCFXPAWOLW-UHFFFAOYSA-N	0	0	500.846	3.067	50	0		KGAARN
COC(=O)c1c(-c2ccccc2)csc1NC(=O)CN1CCN(S(=O)(=O)c2ccc(F)cc2)CC1	ZINC000020220617	553616040	/nfs/dbraw/zinc/61/60/40/553616040.db2.gz	COSRKJVIQDTWIL-UHFFFAOYSA-N	0	0	517.604	3.286	50	0		KGAARN
COC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)CN1CCN(S(=O)(=O)c2ccccc2)CC1	ZINC000020220618	553616095	/nfs/dbraw/zinc/61/60/95/553616095.db2.gz	YIPDDIYTHOEQFK-UHFFFAOYSA-N	0	0	517.604	3.286	50	0		KGAARN
COCCn1c(SCC(=O)NC2CCCCC2)nnc1[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1	ZINC000020227793	553616415	/nfs/dbraw/zinc/61/64/15/553616415.db2.gz	HGMMLKAURUSYMC-LJQANCHMSA-N	0	0	521.709	3.034	50	0		KGAARN
COCCn1c(SCC(=O)NC2CCCCC2)nnc1[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1	ZINC000020227795	553616314	/nfs/dbraw/zinc/61/63/14/553616314.db2.gz	HGMMLKAURUSYMC-IBGZPJMESA-N	0	0	521.709	3.034	50	0		KGAARN
COc1ccc2nc(NC(=O)[C@@H](NS(=O)(=O)c3ccc4c(c3)CCN4C(C)=O)C(C)C)sc2c1	ZINC000020231808	553617703	/nfs/dbraw/zinc/61/77/03/553617703.db2.gz	DSBZUNNUEVREPX-NRFANRHFSA-N	0	0	502.618	3.156	50	0		KGAARN
COc1ccc2nc(NC(=O)[C@H](NS(=O)(=O)c3ccc4c(c3)CCN4C(C)=O)C(C)C)sc2c1	ZINC000020231811	553617680	/nfs/dbraw/zinc/61/76/80/553617680.db2.gz	DSBZUNNUEVREPX-OAQYLSRUSA-N	0	0	502.618	3.156	50	0		KGAARN
CC(=O)c1ccc(NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccc3c(c2)CCN3C(C)=O)cc1	ZINC000020232197	553618074	/nfs/dbraw/zinc/61/80/74/553618074.db2.gz	NVYNCAIQVXOSCP-VWLOTQADSA-N	0	0	505.596	3.327	50	0		KGAARN
CC(=O)c1ccc(NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccc3c(c2)CCN3C(C)=O)cc1	ZINC000020232201	553618054	/nfs/dbraw/zinc/61/80/54/553618054.db2.gz	NVYNCAIQVXOSCP-RUZDIDTESA-N	0	0	505.596	3.327	50	0		KGAARN
COc1ccc(C)cc1NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc2c(c1)CCN2C(C)=O	ZINC000020232416	553618232	/nfs/dbraw/zinc/61/82/32/553618232.db2.gz	ACMZPFBRXLCQLC-XMMPIXPASA-N	0	0	507.612	3.441	50	0		KGAARN
COc1ccc(C)cc1NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc2c(c1)CCN2C(C)=O	ZINC000020232421	553618282	/nfs/dbraw/zinc/61/82/82/553618282.db2.gz	ACMZPFBRXLCQLC-DEOSSOPVSA-N	0	0	507.612	3.441	50	0		KGAARN
CC(=O)N1CCc2cc(S(=O)(=O)N[C@@H](Cc3ccccc3)C(=O)NCCc3cccc(C)c3)ccc21	ZINC000020232454	553618239	/nfs/dbraw/zinc/61/82/39/553618239.db2.gz	JWRUJZKPWHWVJM-SANMLTNESA-N	0	0	505.640	3.153	50	0		KGAARN
CC(=O)N1CCc2cc(S(=O)(=O)N[C@H](Cc3ccccc3)C(=O)NCCc3cccc(C)c3)ccc21	ZINC000020232461	553618211	/nfs/dbraw/zinc/61/82/11/553618211.db2.gz	JWRUJZKPWHWVJM-AREMUKBSSA-N	0	0	505.640	3.153	50	0		KGAARN
CC(=O)N1CCc2cc(S(=O)(=O)N[C@@H](Cc3ccccc3)C(=O)NCc3ccc(Cl)cc3)ccc21	ZINC000020232466	553618254	/nfs/dbraw/zinc/61/82/54/553618254.db2.gz	JHLGXASTSUWQNT-DEOSSOPVSA-N	0	0	512.031	3.455	50	0		KGAARN
CC(=O)N1CCc2cc(S(=O)(=O)N[C@H](Cc3ccccc3)C(=O)NCc3ccc(Cl)cc3)ccc21	ZINC000020232471	553618290	/nfs/dbraw/zinc/61/82/90/553618290.db2.gz	JHLGXASTSUWQNT-XMMPIXPASA-N	0	0	512.031	3.455	50	0		KGAARN
O=C(C1CCN(S(=O)(=O)c2c[nH]cn2)CC1)N1CCN([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1	ZINC000020233906	553619656	/nfs/dbraw/zinc/61/96/56/553619656.db2.gz	IBNIGMYKJQTUQH-VWLOTQADSA-N	0	0	528.078	3.398	50	0		KGAARN
O=C(C1CCN(S(=O)(=O)c2c[nH]cn2)CC1)N1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1	ZINC000020233909	553619617	/nfs/dbraw/zinc/61/96/17/553619617.db2.gz	IBNIGMYKJQTUQH-RUZDIDTESA-N	0	0	528.078	3.398	50	0		KGAARN
CCOc1ccc2nc(NC(=O)CCNS(=O)(=O)c3ccc4c(c3)CCN4C(=O)CC)sc2c1	ZINC000020234595	553620915	/nfs/dbraw/zinc/62/09/15/553620915.db2.gz	ZCBSSROATLIYFN-UHFFFAOYSA-N	0	0	502.618	3.301	50	0		KGAARN
O=C([C@@H](NS(=O)(=O)c1cccc2nsnc21)c1ccccc1)N1CCN(Cc2ccccc2)CC1	ZINC000020235496	553622014	/nfs/dbraw/zinc/62/20/14/553622014.db2.gz	BQBKRZDCDYRBAA-QHCPKHFHSA-N	0	0	507.641	3.055	50	0		KGAARN
O=C([C@H](NS(=O)(=O)c1cccc2nsnc21)c1ccccc1)N1CCN(Cc2ccccc2)CC1	ZINC000020235500	553621952	/nfs/dbraw/zinc/62/19/52/553621952.db2.gz	BQBKRZDCDYRBAA-HSZRJFAPSA-N	0	0	507.641	3.055	50	0		KGAARN
CCSc1nnc(NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2cccc3nsnc32)s1	ZINC000020235777	553622498	/nfs/dbraw/zinc/62/24/98/553622498.db2.gz	YSJXNOHLXNPYBD-CQSZACIVSA-N	0	0	506.660	3.183	50	0		KGAARN
CCSc1nnc(NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2cccc3nsnc32)s1	ZINC000020235780	553622571	/nfs/dbraw/zinc/62/25/71/553622571.db2.gz	YSJXNOHLXNPYBD-AWEZNQCLSA-N	0	0	506.660	3.183	50	0		KGAARN
CCOC(=O)N1CCN(C(=O)CN(c2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccccc2)CC1	ZINC000020239813	553625823	/nfs/dbraw/zinc/62/58/23/553625823.db2.gz	DUHUNSXHQVGGOV-UHFFFAOYSA-N	0	0	500.404	3.489	50	0		KGAARN
CCOc1ccc(N(CC(=O)N2CCN(Cc3ccccc3)CC2)S(=O)(=O)c2c(C)noc2C)cc1	ZINC000020240070	553626201	/nfs/dbraw/zinc/62/62/01/553626201.db2.gz	ZYQCYFBFNAXZQL-UHFFFAOYSA-N	0	0	512.632	3.230	50	0		KGAARN
Cn1cc(C(=O)N(C[C@H]2CCCO2)C[C@H]2CC=CCC2)c(=O)c2cc(S(=O)(=O)N3CCCC3)ccc21	ZINC000020240241	553626114	/nfs/dbraw/zinc/62/61/14/553626114.db2.gz	YXFABFPNLSBXKA-LEWJYISDSA-N	0	0	513.660	3.301	50	0		KGAARN
CCn1cc(C(=O)N2CCN(Cc3ccccc3)CC2)c(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc21	ZINC000020240373	553626438	/nfs/dbraw/zinc/62/64/38/553626438.db2.gz	FPKDMCSQQKMJPQ-UHFFFAOYSA-N	0	0	522.671	3.154	50	0		KGAARN
COc1ccc(CCNC(=O)C[S@@](=O)Cc2nc(-c3ccc(OC)c(OC)c3)oc2C)cc1OC	ZINC000020241692	553626752	/nfs/dbraw/zinc/62/67/52/553626752.db2.gz	IEWOODUEADICAU-PGUFJCEWSA-N	0	0	502.589	3.292	50	0		KGAARN
COc1ccc(CCNC(=O)C[S@](=O)Cc2nc(-c3ccc(OC)c(OC)c3)oc2C)cc1OC	ZINC000020241694	553626776	/nfs/dbraw/zinc/62/67/76/553626776.db2.gz	IEWOODUEADICAU-DHUJRADRSA-N	0	0	502.589	3.292	50	0		KGAARN
O=C(NCCN1CCOCC1)c1ccc2c(c1)N(Cc1ccccc1F)C(=O)c1ccccc1[S@]2=O	ZINC000020242437	553627318	/nfs/dbraw/zinc/62/73/18/553627318.db2.gz	XMUOXYPXFFFLCW-BHVANESWSA-N	0	0	507.587	3.215	50	0		KGAARN
O=C(NCCN1CCOCC1)c1ccc2c(c1)N(Cc1ccccc1F)C(=O)c1ccccc1[S@@]2=O	ZINC000020242439	553627249	/nfs/dbraw/zinc/62/72/49/553627249.db2.gz	XMUOXYPXFFFLCW-PSXMRANNSA-N	0	0	507.587	3.215	50	0		KGAARN
O=C(NCCN1CCOCC1)c1ccc2c(c1)N(Cc1ccc(F)cc1)C(=O)c1ccccc1[S@]2=O	ZINC000020242584	553627548	/nfs/dbraw/zinc/62/75/48/553627548.db2.gz	OALHYAYSAZRULJ-BHVANESWSA-N	0	0	507.587	3.215	50	0		KGAARN
O=C(NCCN1CCOCC1)c1ccc2c(c1)N(Cc1ccc(F)cc1)C(=O)c1ccccc1[S@@]2=O	ZINC000020242586	553627575	/nfs/dbraw/zinc/62/75/75/553627575.db2.gz	OALHYAYSAZRULJ-PSXMRANNSA-N	0	0	507.587	3.215	50	0		KGAARN
O=C(NCCCN1CCCC1=O)c1ccc2c(c1)N(Cc1ccccc1)C(=O)c1ccccc1S2(=O)=O	ZINC000020243319	553628643	/nfs/dbraw/zinc/62/86/43/553628643.db2.gz	QBMKUFUTDIFERY-UHFFFAOYSA-N	0	0	517.607	3.422	50	0		KGAARN
COc1ccc(NC(=O)CSc2nnc([C@@H]3CCCN(S(C)(=O)=O)C3)n2CCc2ccccc2)cc1	ZINC000020249331	553629189	/nfs/dbraw/zinc/62/91/89/553629189.db2.gz	XYRWVKQNZYROAE-HXUWFJFHSA-N	0	0	529.688	3.399	50	0		KGAARN
COc1ccc(NC(=O)CSc2nnc([C@H]3CCCN(S(C)(=O)=O)C3)n2CCc2ccccc2)cc1	ZINC000020249334	553629173	/nfs/dbraw/zinc/62/91/73/553629173.db2.gz	XYRWVKQNZYROAE-FQEVSTJZSA-N	0	0	529.688	3.399	50	0		KGAARN
COc1ccccc1N1CCN(C(=O)c2ccc(C(=O)N3CCN(c4ccccc4OC)CC3)nc2)CC1	ZINC000020274909	553630730	/nfs/dbraw/zinc/63/07/30/553630730.db2.gz	OOCLZMDIAUXHGD-UHFFFAOYSA-N	0	0	515.614	3.024	50	0		KGAARN
CCOc1ccc(CCNC(=O)[C@@H]2CCCN2S(=O)(=O)c2cccc3nsnc32)cc1OCC	ZINC000020281496	553631320	/nfs/dbraw/zinc/63/13/20/553631320.db2.gz	STIAGJLSOJQBBJ-SFHVURJKSA-N	0	0	504.634	3.001	50	0		KGAARN
CCOc1ccc(CCNC(=O)[C@H]2CCCN2S(=O)(=O)c2cccc3nsnc32)cc1OCC	ZINC000020281500	553631377	/nfs/dbraw/zinc/63/13/77/553631377.db2.gz	STIAGJLSOJQBBJ-GOSISDBHSA-N	0	0	504.634	3.001	50	0		KGAARN
O=C(C1CCC(CNS(=O)(=O)c2cccc3nsnc32)CC1)N1CCN(Cc2ccccc2)CC1	ZINC000020281618	553631386	/nfs/dbraw/zinc/63/13/86/553631386.db2.gz	FOEILJUNZUOWIK-UHFFFAOYSA-N	0	0	513.689	3.120	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(c3cccc(Cl)c3)CC2)NC(=O)N[C@@H]1c1cccc(OC)c1OC	ZINC000020283619	553631619	/nfs/dbraw/zinc/63/16/19/553631619.db2.gz	UULIEAFRWCDDHP-HSZRJFAPSA-N	0	0	515.010	3.351	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(c3cccc(Cl)c3)CC2)NC(=O)N[C@H]1c1cccc(OC)c1OC	ZINC000020283623	553631591	/nfs/dbraw/zinc/63/15/91/553631591.db2.gz	UULIEAFRWCDDHP-QHCPKHFHSA-N	0	0	515.010	3.351	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(c3cccc(C)c3)[C@@H](C)C2)NC(=O)N[C@@H]1c1cccc(OC)c1OC	ZINC000020283648	553631694	/nfs/dbraw/zinc/63/16/94/553631694.db2.gz	ZEPGDUXOKIBORH-UQBPGWFLSA-N	0	0	508.619	3.394	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(c3ccc(Cl)cc3)CC2)NC(=O)N[C@@H]1c1cccc(OC)c1OC	ZINC000020283804	553631551	/nfs/dbraw/zinc/63/15/51/553631551.db2.gz	MLHONOLQRPLHRX-HSZRJFAPSA-N	0	0	515.010	3.351	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(c3ccc(Cl)cc3)CC2)NC(=O)N[C@H]1c1cccc(OC)c1OC	ZINC000020283806	553631601	/nfs/dbraw/zinc/63/16/01/553631601.db2.gz	MLHONOLQRPLHRX-QHCPKHFHSA-N	0	0	515.010	3.351	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(c3ccc(C)cc3C)CC2)NC(=O)N[C@@H]1c1cccc(OC)c1OC	ZINC000020283824	553631664	/nfs/dbraw/zinc/63/16/64/553631664.db2.gz	STEXXDJLYAINPL-RUZDIDTESA-N	0	0	508.619	3.314	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(c3ccc(C)cc3C)CC2)NC(=O)N[C@H]1c1cccc(OC)c1OC	ZINC000020283828	553631931	/nfs/dbraw/zinc/63/19/31/553631931.db2.gz	STEXXDJLYAINPL-VWLOTQADSA-N	0	0	508.619	3.314	50	0		KGAARN
Cc1nc2c(c(C)c1CCC(=O)N1CCN(C(c3ccccc3)c3ccccc3)CC1)c(=O)n(C)c(=O)n2C	ZINC000020283924	553631920	/nfs/dbraw/zinc/63/19/20/553631920.db2.gz	GUGUVPJIMSOJMJ-UHFFFAOYSA-N	0	0	525.653	3.115	50	0		KGAARN
CCOc1ccc2nc(NC(=O)[C@@H](CC(C)C)NS(=O)(=O)c3ccc4c(c3)oc(=O)n4C)sc2c1	ZINC000020284242	553631874	/nfs/dbraw/zinc/63/18/74/553631874.db2.gz	VBLWYNLRPZVQHR-QGZVFWFLSA-N	0	0	518.617	3.472	50	0		KGAARN
CCOc1ccc2nc(NC(=O)[C@H](CC(C)C)NS(=O)(=O)c3ccc4c(c3)oc(=O)n4C)sc2c1	ZINC000020284244	553631918	/nfs/dbraw/zinc/63/19/18/553631918.db2.gz	VBLWYNLRPZVQHR-KRWDZBQOSA-N	0	0	518.617	3.472	50	0		KGAARN
COc1cc(OC)c(NC(=O)[C@@H](CC(C)C)NS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)cc1Cl	ZINC000020284286	553631938	/nfs/dbraw/zinc/63/19/38/553631938.db2.gz	RDGABDHPSJLLGW-MRXNPFEDSA-N	0	0	511.984	3.134	50	0		KGAARN
COc1cc(OC)c(NC(=O)[C@H](CC(C)C)NS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)cc1Cl	ZINC000020284290	553631887	/nfs/dbraw/zinc/63/18/87/553631887.db2.gz	RDGABDHPSJLLGW-INIZCTEOSA-N	0	0	511.984	3.134	50	0		KGAARN
CCOc1ccc(OCC)c(NC(=O)[C@@H](CC(C)C)NS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)c1	ZINC000020284474	553631892	/nfs/dbraw/zinc/63/18/92/553631892.db2.gz	NKIGPCNQVGLZTA-LJQANCHMSA-N	0	0	505.593	3.261	50	0		KGAARN
CCOc1ccc(OCC)c(NC(=O)[C@H](CC(C)C)NS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)c1	ZINC000020284478	553631895	/nfs/dbraw/zinc/63/18/95/553631895.db2.gz	NKIGPCNQVGLZTA-IBGZPJMESA-N	0	0	505.593	3.261	50	0		KGAARN
Cn1c(=O)oc2cc(S(=O)(=O)N[C@@H](Cc3ccccc3)C(=O)NCCc3ccc(Cl)cc3)ccc21	ZINC000020284570	553631962	/nfs/dbraw/zinc/63/19/62/553631962.db2.gz	HCVKVOFJKXCDHC-NRFANRHFSA-N	0	0	514.003	3.033	50	0		KGAARN
Cn1c(=O)oc2cc(S(=O)(=O)N[C@H](Cc3ccccc3)C(=O)NCCc3ccc(Cl)cc3)ccc21	ZINC000020284575	553631964	/nfs/dbraw/zinc/63/19/64/553631964.db2.gz	HCVKVOFJKXCDHC-OAQYLSRUSA-N	0	0	514.003	3.033	50	0		KGAARN
COc1ccc(NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)cc1Cl	ZINC000020284772	553632170	/nfs/dbraw/zinc/63/21/70/553632170.db2.gz	WWJCDZPOJHZPHT-LJQANCHMSA-N	0	0	515.975	3.322	50	0		KGAARN
COc1ccc(NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)cc1Cl	ZINC000020284775	553632180	/nfs/dbraw/zinc/63/21/80/553632180.db2.gz	WWJCDZPOJHZPHT-IBGZPJMESA-N	0	0	515.975	3.322	50	0		KGAARN
CC(=O)Nc1ccc(NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccc3c(c2)CCC(=O)N3)cc1	ZINC000020286500	553632405	/nfs/dbraw/zinc/63/24/05/553632405.db2.gz	VSMLWJQUFJBRCN-XMMPIXPASA-N	0	0	506.584	3.058	50	0		KGAARN
CC(=O)Nc1ccc(NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccc3c(c2)CCC(=O)N3)cc1	ZINC000020286503	553632407	/nfs/dbraw/zinc/63/24/07/553632407.db2.gz	VSMLWJQUFJBRCN-DEOSSOPVSA-N	0	0	506.584	3.058	50	0		KGAARN
CC(C)c1ccc(NC(=O)[C@@H](NS(=O)(=O)c2ccc3c(c2)c(=O)n(C)c(=O)n3C)c2ccccc2)cc1	ZINC000020286638	553632716	/nfs/dbraw/zinc/63/27/16/553632716.db2.gz	UJJIVGXCKWWTGW-DEOSSOPVSA-N	0	0	520.611	3.019	50	0		KGAARN
CC(C)c1ccc(NC(=O)[C@H](NS(=O)(=O)c2ccc3c(c2)c(=O)n(C)c(=O)n3C)c2ccccc2)cc1	ZINC000020286641	553632742	/nfs/dbraw/zinc/63/27/42/553632742.db2.gz	UJJIVGXCKWWTGW-XMMPIXPASA-N	0	0	520.611	3.019	50	0		KGAARN
C[C@@H](NC(=O)C(=O)NCc1ccc2c(c1)OCO2)[C@H](c1cccs1)N1CCN(c2ccccc2)CC1	ZINC000020288282	553633007	/nfs/dbraw/zinc/63/30/07/553633007.db2.gz	GCRZWEPCVNKKLG-KBMIEXCESA-N	0	0	506.628	3.161	50	0		KGAARN
C[C@H](NC(=O)C(=O)NCc1ccc2c(c1)OCO2)[C@H](c1cccs1)N1CCN(c2ccccc2)CC1	ZINC000020288287	553633019	/nfs/dbraw/zinc/63/30/19/553633019.db2.gz	GCRZWEPCVNKKLG-UQBPGWFLSA-N	0	0	506.628	3.161	50	0		KGAARN
C[C@@H](NC(=O)C(=O)NCc1ccc2c(c1)OCO2)[C@@H](c1cccs1)N1CCN(c2ccccc2)CC1	ZINC000020288290	553633101	/nfs/dbraw/zinc/63/31/01/553633101.db2.gz	GCRZWEPCVNKKLG-CLOONOSVSA-N	0	0	506.628	3.161	50	0		KGAARN
C[C@H](NC(=O)C(=O)NCc1ccc2c(c1)OCO2)[C@@H](c1cccs1)N1CCN(c2ccccc2)CC1	ZINC000020288296	553633090	/nfs/dbraw/zinc/63/30/90/553633090.db2.gz	GCRZWEPCVNKKLG-DFBJGRDBSA-N	0	0	506.628	3.161	50	0		KGAARN
COc1ccc(CCNC(=O)C(=O)N[C@@H](C)[C@H](c2cccs2)N2CCN(c3ccccc3)CC2)cc1	ZINC000020288330	553633055	/nfs/dbraw/zinc/63/30/55/553633055.db2.gz	MTJUFZQGDMKFLC-HFZDXXHNSA-N	0	0	506.672	3.484	50	0		KGAARN
COc1ccc(CCNC(=O)C(=O)N[C@H](C)[C@H](c2cccs2)N2CCN(c3ccccc3)CC2)cc1	ZINC000020288333	553632996	/nfs/dbraw/zinc/63/29/96/553632996.db2.gz	MTJUFZQGDMKFLC-QFQXNSOFSA-N	0	0	506.672	3.484	50	0		KGAARN
COc1ccc(CCNC(=O)C(=O)N[C@@H](C)[C@@H](c2cccs2)N2CCN(c3ccccc3)CC2)cc1	ZINC000020288334	553633059	/nfs/dbraw/zinc/63/30/59/553633059.db2.gz	MTJUFZQGDMKFLC-LVXARBLLSA-N	0	0	506.672	3.484	50	0		KGAARN
COc1ccc(CCNC(=O)C(=O)N[C@H](C)[C@@H](c2cccs2)N2CCN(c3ccccc3)CC2)cc1	ZINC000020288337	553633063	/nfs/dbraw/zinc/63/30/63/553633063.db2.gz	MTJUFZQGDMKFLC-RLWLMLJZSA-N	0	0	506.672	3.484	50	0		KGAARN
COc1ccc(CNC(=O)C(=O)N[C@@H](C)[C@H](c2cccs2)N2CCN(Cc3ccccc3)CC2)cc1	ZINC000020288574	553633524	/nfs/dbraw/zinc/63/35/24/553633524.db2.gz	WQYYEEDXKAOPKI-HFZDXXHNSA-N	0	0	506.672	3.437	50	0		KGAARN
COc1ccc(CNC(=O)C(=O)N[C@H](C)[C@H](c2cccs2)N2CCN(Cc3ccccc3)CC2)cc1	ZINC000020288577	553633484	/nfs/dbraw/zinc/63/34/84/553633484.db2.gz	WQYYEEDXKAOPKI-QFQXNSOFSA-N	0	0	506.672	3.437	50	0		KGAARN
COc1ccc(CNC(=O)C(=O)N[C@@H](C)[C@@H](c2cccs2)N2CCN(Cc3ccccc3)CC2)cc1	ZINC000020288580	553633417	/nfs/dbraw/zinc/63/34/17/553633417.db2.gz	WQYYEEDXKAOPKI-LVXARBLLSA-N	0	0	506.672	3.437	50	0		KGAARN
COc1ccc(CNC(=O)C(=O)N[C@H](C)[C@@H](c2cccs2)N2CCN(Cc3ccccc3)CC2)cc1	ZINC000020288582	553633447	/nfs/dbraw/zinc/63/34/47/553633447.db2.gz	WQYYEEDXKAOPKI-RLWLMLJZSA-N	0	0	506.672	3.437	50	0		KGAARN
C[C@@H](NC(=O)C(=O)NCc1ccc2c(c1)OCO2)[C@@H](c1cccs1)N1CCN(Cc2ccccc2)CC1	ZINC000020288590	553633459	/nfs/dbraw/zinc/63/34/59/553633459.db2.gz	PXNZWAOFDMXIKA-IBVKSMDESA-N	0	0	520.655	3.157	50	0		KGAARN
C[C@H](NC(=O)C(=O)NCc1ccc2c(c1)OCO2)[C@@H](c1cccs1)N1CCN(Cc2ccccc2)CC1	ZINC000020288594	553633537	/nfs/dbraw/zinc/63/35/37/553633537.db2.gz	PXNZWAOFDMXIKA-FNZWTVRRSA-N	0	0	520.655	3.157	50	0		KGAARN
C[C@@H](NC(=O)C(=O)NCc1ccc2c(c1)OCO2)[C@H](c1cccs1)N1CCN(c2ccccc2F)CC1	ZINC000020288786	553633683	/nfs/dbraw/zinc/63/36/83/553633683.db2.gz	DTGFZAKJUIBVNG-IQGLISFBSA-N	0	0	524.618	3.300	50	0		KGAARN
C[C@H](NC(=O)C(=O)NCc1ccc2c(c1)OCO2)[C@H](c1cccs1)N1CCN(c2ccccc2F)CC1	ZINC000020288790	553633615	/nfs/dbraw/zinc/63/36/15/553633615.db2.gz	DTGFZAKJUIBVNG-AVRWGWEMSA-N	0	0	524.618	3.300	50	0		KGAARN
C[C@@H](NC(=O)C(=O)NCc1ccc2c(c1)OCO2)[C@@H](c1cccs1)N1CCN(c2ccccc2F)CC1	ZINC000020288793	553633611	/nfs/dbraw/zinc/63/36/11/553633611.db2.gz	DTGFZAKJUIBVNG-CJAUYULYSA-N	0	0	524.618	3.300	50	0		KGAARN
C[C@H](NC(=O)C(=O)NCc1ccc2c(c1)OCO2)[C@@H](c1cccs1)N1CCN(c2ccccc2F)CC1	ZINC000020288797	553633603	/nfs/dbraw/zinc/63/36/03/553633603.db2.gz	DTGFZAKJUIBVNG-BVZFJXPGSA-N	0	0	524.618	3.300	50	0		KGAARN
C[C@@H](NC(=O)C(=O)NCc1ccc2c(c1)OCO2)[C@H](c1cccs1)N1CCN(c2ccc(F)cc2)CC1	ZINC000020289047	553634064	/nfs/dbraw/zinc/63/40/64/553634064.db2.gz	NBHSWEVAEWFYBM-IQGLISFBSA-N	0	0	524.618	3.300	50	0		KGAARN
C[C@H](NC(=O)C(=O)NCc1ccc2c(c1)OCO2)[C@H](c1cccs1)N1CCN(c2ccc(F)cc2)CC1	ZINC000020289050	553634033	/nfs/dbraw/zinc/63/40/33/553634033.db2.gz	NBHSWEVAEWFYBM-AVRWGWEMSA-N	0	0	524.618	3.300	50	0		KGAARN
C[C@@H](NC(=O)C(=O)NCc1ccc2c(c1)OCO2)[C@@H](c1cccs1)N1CCN(c2ccc(F)cc2)CC1	ZINC000020289054	553634047	/nfs/dbraw/zinc/63/40/47/553634047.db2.gz	NBHSWEVAEWFYBM-CJAUYULYSA-N	0	0	524.618	3.300	50	0		KGAARN
C[C@H](NC(=O)C(=O)NCc1ccc2c(c1)OCO2)[C@@H](c1cccs1)N1CCN(c2ccc(F)cc2)CC1	ZINC000020289057	553633951	/nfs/dbraw/zinc/63/39/51/553633951.db2.gz	NBHSWEVAEWFYBM-BVZFJXPGSA-N	0	0	524.618	3.300	50	0		KGAARN
COc1ccc(CNC(=O)C(=O)N[C@@H](C)[C@H](c2cccs2)N2CCN(c3ccccc3OC)CC2)cc1	ZINC000020289664	553634919	/nfs/dbraw/zinc/63/49/19/553634919.db2.gz	BCPOPTDLUSWDMY-RXFWQSSRSA-N	0	0	522.671	3.450	50	0		KGAARN
COc1ccc(CNC(=O)C(=O)N[C@H](C)[C@H](c2cccs2)N2CCN(c3ccccc3OC)CC2)cc1	ZINC000020289667	553634895	/nfs/dbraw/zinc/63/48/95/553634895.db2.gz	BCPOPTDLUSWDMY-FQRUVTKNSA-N	0	0	522.671	3.450	50	0		KGAARN
COc1ccc(CNC(=O)C(=O)N[C@@H](C)[C@@H](c2cccs2)N2CCN(c3ccccc3OC)CC2)cc1	ZINC000020289671	553634952	/nfs/dbraw/zinc/63/49/52/553634952.db2.gz	BCPOPTDLUSWDMY-FNZWTVRRSA-N	0	0	522.671	3.450	50	0		KGAARN
COc1ccc(CNC(=O)C(=O)N[C@H](C)[C@@H](c2cccs2)N2CCN(c3ccccc3OC)CC2)cc1	ZINC000020289675	553635036	/nfs/dbraw/zinc/63/50/36/553635036.db2.gz	BCPOPTDLUSWDMY-IBVKSMDESA-N	0	0	522.671	3.450	50	0		KGAARN
COc1ccccc1CNC(=O)C(=O)N[C@@H](C)[C@H](c1cccs1)N1CCN(c2ccccc2OC)CC1	ZINC000020289718	553634940	/nfs/dbraw/zinc/63/49/40/553634940.db2.gz	DNSDPKZKCNVDNN-RXFWQSSRSA-N	0	0	522.671	3.450	50	0		KGAARN
COc1ccccc1CNC(=O)C(=O)N[C@H](C)[C@H](c1cccs1)N1CCN(c2ccccc2OC)CC1	ZINC000020289722	553634999	/nfs/dbraw/zinc/63/49/99/553634999.db2.gz	DNSDPKZKCNVDNN-FQRUVTKNSA-N	0	0	522.671	3.450	50	0		KGAARN
COc1ccccc1CNC(=O)C(=O)N[C@@H](C)[C@@H](c1cccs1)N1CCN(c2ccccc2OC)CC1	ZINC000020289725	553634880	/nfs/dbraw/zinc/63/48/80/553634880.db2.gz	DNSDPKZKCNVDNN-FNZWTVRRSA-N	0	0	522.671	3.450	50	0		KGAARN
COc1ccccc1CNC(=O)C(=O)N[C@H](C)[C@@H](c1cccs1)N1CCN(c2ccccc2OC)CC1	ZINC000020289727	553634892	/nfs/dbraw/zinc/63/48/92/553634892.db2.gz	DNSDPKZKCNVDNN-IBVKSMDESA-N	0	0	522.671	3.450	50	0		KGAARN
CCOC(=O)C(=O)CSc1ncnc2c1sc1nc(N3CCOCC3)c3c(c12)CC(C)(C)OC3	ZINC000020292617	553635275	/nfs/dbraw/zinc/63/52/75/553635275.db2.gz	DCJXXIMXFMBOPD-UHFFFAOYSA-N	0	0	502.618	3.152	50	0		KGAARN
Cc1c(CN2C(=O)c3ccccc3C2=O)c(=O)n(-c2ccc(CN3C(=O)c4ccccc4C3=O)cc2)n1C	ZINC000020293724	553635751	/nfs/dbraw/zinc/63/57/51/553635751.db2.gz	CXYBONSAUNPYCT-UHFFFAOYSA-N	0	0	506.518	3.077	50	0		KGAARN
Cc1c(C(N)=O)sc(NC(=O)CN2CCN(Cc3ccc(F)cc3Cl)CC2)c1C(=O)OC(C)C	ZINC000020294962	553635631	/nfs/dbraw/zinc/63/56/31/553635631.db2.gz	DUAXMUFGHJHFAA-UHFFFAOYSA-N	0	0	511.019	3.269	50	0		KGAARN
O=C(NCCN1CCOCC1)c1cc(I)ccc1NC(=O)c1ccccc1Cl	ZINC000020295155	553635936	/nfs/dbraw/zinc/63/59/36/553635936.db2.gz	QVVODPXFFLJZAD-UHFFFAOYSA-N	0	0	513.763	3.259	50	0		KGAARN
COc1ccc(CN2CCN(C(=O)CCc3c(C)nc4c5cccnc5nn4c3C)CC2)c(OC)c1OC	ZINC000020321146	553637907	/nfs/dbraw/zinc/63/79/07/553637907.db2.gz	FNWIHERDEVDHOQ-UHFFFAOYSA-N	0	0	518.618	3.197	50	0		KGAARN
Cc1nn(C)c(C)c1S(=O)(=O)N(CC(=O)N1CCN(c2ccccn2)CC1)c1ccc(C(C)C)cc1	ZINC000020322967	553638207	/nfs/dbraw/zinc/63/82/07/553638207.db2.gz	GHJFAGLIUVFQAE-UHFFFAOYSA-N	0	0	510.664	3.099	50	0		KGAARN
Cc1nn(C)c(C)c1S(=O)(=O)N(CC(=O)NC[C@@H]1COc2ccccc2O1)c1ccc(C(C)C)cc1	ZINC000020323140	553638230	/nfs/dbraw/zinc/63/82/30/553638230.db2.gz	LHGSZCOGBYXCSQ-JOCHJYFZSA-N	0	0	512.632	3.312	50	0		KGAARN
Cc1nn(C)c(C)c1S(=O)(=O)N(CC(=O)NC[C@H]1COc2ccccc2O1)c1ccc(C(C)C)cc1	ZINC000020323148	553638225	/nfs/dbraw/zinc/63/82/25/553638225.db2.gz	LHGSZCOGBYXCSQ-QFIPXVFZSA-N	0	0	512.632	3.312	50	0		KGAARN
CC1CCN(S(=O)(=O)c2ccc3c(c2)oc(=O)n3CC(=O)N2CCC(Cc3ccccc3)CC2)CC1	ZINC000020323306	553638215	/nfs/dbraw/zinc/63/82/15/553638215.db2.gz	XBBQMPYFCMYECN-UHFFFAOYSA-N	0	0	511.644	3.496	50	0		KGAARN
COc1ccc(C(=O)c2cn(CC(=O)Nc3ccc4c(c3)OCO4)c3cc4c(cc3c2=O)OCO4)cc1	ZINC000020326512	553638807	/nfs/dbraw/zinc/63/88/07/553638807.db2.gz	KOBZENDPBDXKOY-UHFFFAOYSA-N	0	0	500.463	3.337	50	0		KGAARN
Cc1cc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc4c(c3)oc(=O)n4C)C2)ccc1Br	ZINC000020326579	553638848	/nfs/dbraw/zinc/63/88/48/553638848.db2.gz	KUSUKRROVHCHKC-CQSZACIVSA-N	0	0	508.394	3.242	50	0		KGAARN
Cc1cc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc4c(c3)oc(=O)n4C)C2)ccc1Br	ZINC000020326583	553638816	/nfs/dbraw/zinc/63/88/16/553638816.db2.gz	KUSUKRROVHCHKC-AWEZNQCLSA-N	0	0	508.394	3.242	50	0		KGAARN
CCOc1ccc2nc(NC(=O)[C@@H]3CCCN(S(=O)(=O)c4ccc5c(c4)oc(=O)n5C)C3)sc2c1	ZINC000020326617	553638805	/nfs/dbraw/zinc/63/88/05/553638805.db2.gz	NIRXIVRAJQCJDC-CQSZACIVSA-N	0	0	516.601	3.179	50	0		KGAARN
CCOc1ccc2nc(NC(=O)[C@H]3CCCN(S(=O)(=O)c4ccc5c(c4)oc(=O)n5C)C3)sc2c1	ZINC000020326624	553638873	/nfs/dbraw/zinc/63/88/73/553638873.db2.gz	NIRXIVRAJQCJDC-AWEZNQCLSA-N	0	0	516.601	3.179	50	0		KGAARN
Cn1c(=O)oc2cc(S(=O)(=O)N3CCC[C@@H](C(=O)Nc4nc5ccc(Cl)cc5s4)C3)ccc21	ZINC000020326800	553638802	/nfs/dbraw/zinc/63/88/02/553638802.db2.gz	XKQGSBCUSDLYKJ-GFCCVEGCSA-N	0	0	506.993	3.434	50	0		KGAARN
Cn1c(=O)oc2cc(S(=O)(=O)N3CCC[C@H](C(=O)Nc4nc5ccc(Cl)cc5s4)C3)ccc21	ZINC000020326805	553639083	/nfs/dbraw/zinc/63/90/83/553639083.db2.gz	XKQGSBCUSDLYKJ-LBPRGKRZSA-N	0	0	506.993	3.434	50	0		KGAARN
CCOc1ccc2nc(NC(=O)C3CCN(S(=O)(=O)c4ccc5c(c4)oc(=O)n5C)CC3)sc2c1	ZINC000020327634	553639077	/nfs/dbraw/zinc/63/90/77/553639077.db2.gz	AWHDFFLRLHXXJK-UHFFFAOYSA-N	0	0	516.601	3.179	50	0		KGAARN
Cn1c(=O)oc2cc(S(=O)(=O)N3CCC(C(=O)Nc4nc5ccc(Cl)cc5s4)CC3)ccc21	ZINC000020327734	553639046	/nfs/dbraw/zinc/63/90/46/553639046.db2.gz	ODRFCIMXDCSDBA-UHFFFAOYSA-N	0	0	506.993	3.434	50	0		KGAARN
Cc1cc(C)c(S(=O)(=O)N2CCC(C(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)CC2)c(C)c1	ZINC000020350892	553640041	/nfs/dbraw/zinc/64/00/41/553640041.db2.gz	COEOXHMCAUCWII-UHFFFAOYSA-N	0	0	513.660	3.086	50	0		KGAARN
CSc1ccc(CCNC(=O)CN2C(=O)COc3ccc(S(=O)(=O)N4C[C@H](C)C[C@@H](C)C4)cc32)cc1	ZINC000020355434	553641436	/nfs/dbraw/zinc/64/14/36/553641436.db2.gz	MRWWZZGLJPRBHI-RTBURBONSA-N	0	0	531.700	3.159	50	0		KGAARN
C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2ccc3c(c2)N(CC(=O)NCc2ccc(Cl)cc2)C(=O)CO3)C1	ZINC000020355448	553641383	/nfs/dbraw/zinc/64/13/83/553641383.db2.gz	CMNHVQOTUZZQHE-CALCHBBNSA-N	0	0	506.024	3.048	50	0		KGAARN
C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc3c(c2)N(CC(=O)NCc2ccc(Cl)cc2)C(=O)CO3)C1	ZINC000020355449	553641395	/nfs/dbraw/zinc/64/13/95/553641395.db2.gz	CMNHVQOTUZZQHE-IRXDYDNUSA-N	0	0	506.024	3.048	50	0		KGAARN
C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc3c(c2)N(CC(=O)NCc2ccccc2Cl)C(=O)CO3)C1	ZINC000020355464	553641634	/nfs/dbraw/zinc/64/16/34/553641634.db2.gz	FCKVFHKCBZJOJS-IAGOWNOFSA-N	0	0	506.024	3.048	50	0		KGAARN
C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc3c(c2)N(CC(=O)NCc2ccccc2Cl)C(=O)CO3)C1	ZINC000020355465	553641662	/nfs/dbraw/zinc/64/16/62/553641662.db2.gz	FCKVFHKCBZJOJS-IRXDYDNUSA-N	0	0	506.024	3.048	50	0		KGAARN
CCN(CC)S(=O)(=O)c1ccc2c(c1)N(CC(=O)N[C@@H](C)C13CC4CC(CC(C4)C1)C3)C(=O)CO2	ZINC000020355507	553641641	/nfs/dbraw/zinc/64/16/41/553641641.db2.gz	XDMJNUXCPCFWBO-BALBBAFXSA-N	0	0	503.665	3.164	50	0		KGAARN
CCN(CC)S(=O)(=O)c1ccc2c(c1)N(CC(=O)N[C@H](C)C13CC4CC(CC(C4)C1)C3)C(=O)CO2	ZINC000020355508	553641613	/nfs/dbraw/zinc/64/16/13/553641613.db2.gz	XDMJNUXCPCFWBO-ZFGQVMFLSA-N	0	0	503.665	3.164	50	0		KGAARN
O=S(=O)(c1ccc(Br)cc1)N1CCN(c2ccc3nnc(-c4ccc(F)cc4)n3n2)CC1	ZINC000020355812	553641957	/nfs/dbraw/zinc/64/19/57/553641957.db2.gz	WVKWFASDZMKSKC-UHFFFAOYSA-N	0	0	517.384	3.204	50	0		KGAARN
CC1(C)Cc2c3c(nc(N4CCOCC4)c2CO1)sc1c3ncnc1SCCN1CCOCC1	ZINC000020358263	553642981	/nfs/dbraw/zinc/64/29/81/553642981.db2.gz	ARWRUYPFCYRSHA-UHFFFAOYSA-N	0	0	501.678	3.352	50	0		KGAARN
O=C(CCc1ccc(S(=O)(=O)NCc2ccccc2)cc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1	ZINC000020363156	553642951	/nfs/dbraw/zinc/64/29/51/553642951.db2.gz	DNGJJYVHIKVBCQ-UHFFFAOYSA-N	0	0	521.639	3.171	50	0		KGAARN
CCOC(=O)c1cc(C(=O)OCC)c(N2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)[nH]c1=O	ZINC000020366409	553643262	/nfs/dbraw/zinc/64/32/62/553643262.db2.gz	SRPHUICXAVSYKR-UHFFFAOYSA-N	0	0	502.877	3.122	50	0		KGAARN
COC(=O)CSC1=N/C(=C/c2ccc3c(c2)OCO3)C(=O)N1CN1CCN(c2c(C)cccc2C)CC1	ZINC000020366944	553643200	/nfs/dbraw/zinc/64/32/00/553643200.db2.gz	PLQDNKOFMBOFJF-FYJGNVAPSA-N	0	0	522.627	3.257	50	0		KGAARN
Nc1cn2nc(N3CCN(C(c4ccccc4)c4ccccc4)CC3)nc2nc1S(=O)(=O)c1ccccc1	ZINC000020386588	553644082	/nfs/dbraw/zinc/64/40/82/553644082.db2.gz	HKWHOPWWWMLVKU-UHFFFAOYSA-N	0	0	525.638	3.451	50	0		KGAARN
CCOc1ccc(NCc2cccn2-c2nnc(N3CCC(C(=O)NCC(OC)OC)CC3)s2)cc1	ZINC000020387747	553644122	/nfs/dbraw/zinc/64/41/22/553644122.db2.gz	LXSSUCVLBFGNIQ-UHFFFAOYSA-N	0	0	514.652	3.291	50	0		KGAARN
CC(C)(C)S(=O)(=O)c1cnc2nc(N3CCN(C(c4ccccc4)c4ccccc4)CC3)nn2c1N	ZINC000020388489	553644433	/nfs/dbraw/zinc/64/44/33/553644433.db2.gz	BVYPOYDOVUFWIL-UHFFFAOYSA-N	0	0	505.648	3.190	50	0		KGAARN
COc1ccc(S(=O)(=O)N2CC(=O)N(c3ccc(C)c(F)c3)[C@@](C)(C(=O)NC3CCCCC3)C2)cc1	ZINC000020388704	553644412	/nfs/dbraw/zinc/64/44/12/553644412.db2.gz	NARQAKXGQUNPKZ-AREMUKBSSA-N	0	0	517.623	3.388	50	0		KGAARN
COc1ccc(S(=O)(=O)N2CC(=O)N(c3ccc(C)c(F)c3)[C@](C)(C(=O)NC3CCCCC3)C2)cc1	ZINC000020388710	553644460	/nfs/dbraw/zinc/64/44/60/553644460.db2.gz	NARQAKXGQUNPKZ-SANMLTNESA-N	0	0	517.623	3.388	50	0		KGAARN
COC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)CN1CCN(S(=O)(=O)c2ccccc2)CC1	ZINC000020394021	553645354	/nfs/dbraw/zinc/64/53/54/553645354.db2.gz	XRZZWZKUDQZION-UHFFFAOYSA-N	0	0	513.641	3.455	50	0		KGAARN
CC1(C)Cc2c3c(nc(N4CCOCC4)c2CO1)sc1c3ncnc1SCC(=O)NC[C@@H]1CCCO1	ZINC000020395126	553645721	/nfs/dbraw/zinc/64/57/21/553645721.db2.gz	VMPFUGNGKGSPBN-HNNXBMFYSA-N	0	0	529.688	3.315	50	0		KGAARN
CC1(C)Cc2c3c(nc(N4CCOCC4)c2CO1)sc1c3ncnc1SCC(=O)NC[C@H]1CCCO1	ZINC000020395129	553645717	/nfs/dbraw/zinc/64/57/17/553645717.db2.gz	VMPFUGNGKGSPBN-OAHLLOKOSA-N	0	0	529.688	3.315	50	0		KGAARN
Cn1c(CN(c2ccc(F)cc2)S(C)(=O)=O)nnc1SCC(=O)Nc1ccc(F)cc1Cl	ZINC000020416222	553647384	/nfs/dbraw/zinc/64/73/84/553647384.db2.gz	OWYPVQUNRDJHPO-UHFFFAOYSA-N	0	0	501.968	3.444	50	0		KGAARN
CCn1c(CN(c2ccc(F)cc2)S(C)(=O)=O)nnc1SCC(=O)Nc1cc(Cl)ccc1O	ZINC000020416367	553647724	/nfs/dbraw/zinc/64/77/24/553647724.db2.gz	YFTSMPPRNZMZSG-UHFFFAOYSA-N	0	0	514.004	3.493	50	0		KGAARN
CC1=NN(c2ccccc2)C(=O)[C@@]1(C)NS(=O)(=O)c1ccc2oc3cc(-n4cnnn4)ccc3c2c1	ZINC000020436312	553648367	/nfs/dbraw/zinc/64/83/67/553648367.db2.gz	IFNCGAPLNJDIPK-DEOSSOPVSA-N	0	0	501.528	3.021	50	0		KGAARN
CC1=NN(c2ccccc2)C(=O)[C@]1(C)NS(=O)(=O)c1ccc2oc3cc(-n4cnnn4)ccc3c2c1	ZINC000020436316	553648286	/nfs/dbraw/zinc/64/82/86/553648286.db2.gz	IFNCGAPLNJDIPK-XMMPIXPASA-N	0	0	501.528	3.021	50	0		KGAARN
CCN(C(=O)N(CC)c1ccc(S(=O)(=O)NC2CC2)cc1)c1ccc(S(=O)(=O)NC2CC2)cc1	ZINC000020436416	553648322	/nfs/dbraw/zinc/64/83/22/553648322.db2.gz	UBVQWIRIUZWENP-UHFFFAOYSA-N	0	0	506.650	3.041	50	0		KGAARN
CN1CCc2c(sc3c2c(=O)n(-c2cccc(Cl)c2)c2nnc(SCC(=O)N4CCCC4)n23)C1	ZINC000020436753	553648605	/nfs/dbraw/zinc/64/86/05/553648605.db2.gz	SXJYZTLELJXBBO-UHFFFAOYSA-N	0	0	515.064	3.451	50	0		KGAARN
CN1CCc2c(sc3nc(SCC(=O)NC[C@@H]4CCCO4)n(-c4cccc(Cl)c4)c(=O)c32)C1	ZINC000020437336	553648482	/nfs/dbraw/zinc/64/84/82/553648482.db2.gz	RSJKIDHOPHBVLK-INIZCTEOSA-N	0	0	505.065	3.476	50	0		KGAARN
CN1CCc2c(sc3nc(SCC(=O)NC[C@H]4CCCO4)n(-c4cccc(Cl)c4)c(=O)c32)C1	ZINC000020437343	553648644	/nfs/dbraw/zinc/64/86/44/553648644.db2.gz	RSJKIDHOPHBVLK-MRXNPFEDSA-N	0	0	505.065	3.476	50	0		KGAARN
O=S(=O)(c1ccc(NC(=S)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1)N1CCOCC1	ZINC000020438076	553648653	/nfs/dbraw/zinc/64/86/53/553648653.db2.gz	KDDQBZNTRYQAQY-UHFFFAOYSA-N	0	0	514.595	3.245	50	0		KGAARN
CN(C)S(=O)(=O)n1cc(/C=C(\NC(=O)c2ccccc2)C(=O)NCc2ccccc2)c2ccccc21	ZINC000020438525	553648916	/nfs/dbraw/zinc/64/89/16/553648916.db2.gz	MGXJTQKJWUWOPJ-ULJHMMPZSA-N	0	0	502.596	3.383	50	0		KGAARN
CN(C)S(=O)(=O)n1cc(/C=C(\NC(=O)c2ccccc2F)C(=O)NCc2ccco2)c2ccccc21	ZINC000020438569	553648903	/nfs/dbraw/zinc/64/89/03/553648903.db2.gz	RDMLYPQLOQPDQH-HMAPJEAMSA-N	0	0	510.547	3.115	50	0		KGAARN
CCCCN(C)C(=O)/C(=C/c1cn(S(=O)(=O)N(C)C)c2ccccc12)NC(=O)c1ccccc1F	ZINC000020438581	553648917	/nfs/dbraw/zinc/64/89/17/553648917.db2.gz	NJWLXKPEEBBEHJ-JWGURIENSA-N	0	0	500.596	3.464	50	0		KGAARN
Cc1ccc(C(=O)N/C(=C\c2cn(S(=O)(=O)N(C)C)c3ccccc23)C(=O)NCc2ccco2)cc1	ZINC000020438627	553648918	/nfs/dbraw/zinc/64/89/18/553648918.db2.gz	DNUOSZIBUICCAH-HAHDFKILSA-N	0	0	506.584	3.285	50	0		KGAARN
COc1ccccc1C(=O)N/C(=C\c1cn(S(=O)(=O)N(C)C)c2ccccc12)C(=O)N1CCCCCC1	ZINC000020438683	553648933	/nfs/dbraw/zinc/64/89/33/553648933.db2.gz	PTLQLHGFCJBCHW-NKFKGCMQSA-N	0	0	524.643	3.478	50	0		KGAARN
CCCCN(C)C(=O)/C(=C/c1cn(S(=O)(=O)N(C)C)c2ccccc12)NC(=O)c1ccc(OC)cc1	ZINC000020438706	553648921	/nfs/dbraw/zinc/64/89/21/553648921.db2.gz	SHVHQMLTYVHNKT-QJOMJCCJSA-N	0	0	512.632	3.334	50	0		KGAARN
COc1ccc(C(=O)N/C(=C\c2cn(S(=O)(=O)N(C)C)c3ccccc23)C(=O)N2CCCCC2)cc1	ZINC000020438714	553649223	/nfs/dbraw/zinc/64/92/23/553649223.db2.gz	UMXWXUFWRXQIOG-QJOMJCCJSA-N	0	0	510.616	3.088	50	0		KGAARN
COc1ccc(C(=O)N/C(=C\c2cn(S(=O)(=O)N(C)C)c3ccccc23)C(=O)N2CCCCCC2)cc1	ZINC000020438721	553649091	/nfs/dbraw/zinc/64/90/91/553649091.db2.gz	XLPNBSWAGBOEEP-MOHJPFBDSA-N	0	0	524.643	3.478	50	0		KGAARN
CSc1nc2c(sc3nc(N4CCOCC4)c4c(c32)CC(C)(C)OC4)c(N(C[C@@H](C)O)C[C@@H](C)O)n1	ZINC000020439253	553649168	/nfs/dbraw/zinc/64/91/68/553649168.db2.gz	YDNLICYBAKGKQJ-HUUCEWRRSA-N	0	0	533.720	3.217	50	0		KGAARN
CSc1nc2c(sc3nc(N4CCOCC4)c4c(c32)CC(C)(C)OC4)c(N(C[C@H](C)O)C[C@H](C)O)n1	ZINC000020439265	553649101	/nfs/dbraw/zinc/64/91/01/553649101.db2.gz	YDNLICYBAKGKQJ-GJZGRUSLSA-N	0	0	533.720	3.217	50	0		KGAARN
CCOC(=O)N1CCN(Cc2ccc(OC[C@@H]3CCCN(C(=O)c4cc(C)c(C)[nH]c4=O)C3)cc2)CC1	ZINC000020454314	553652227	/nfs/dbraw/zinc/65/22/27/553652227.db2.gz	PPEAIVRYJBJMFN-HSZRJFAPSA-N	0	0	510.635	3.197	50	0		KGAARN
CCOC(=O)N1CCN(Cc2ccc(OC[C@H]3CCCN(C(=O)c4cc(C)c(C)[nH]c4=O)C3)cc2)CC1	ZINC000020454316	553652243	/nfs/dbraw/zinc/65/22/43/553652243.db2.gz	PPEAIVRYJBJMFN-QHCPKHFHSA-N	0	0	510.635	3.197	50	0		KGAARN
O=C1C[C@@H](N2CCN(Cc3ccc(Cl)cc3)CC2)C(=O)N1c1ccc(I)cc1	ZINC000020457819	553653995	/nfs/dbraw/zinc/65/39/95/553653995.db2.gz	YHNCVVVYWKOJFY-LJQANCHMSA-N	0	0	509.775	3.394	50	0		KGAARN
CSc1nc2c(sc3nc(N4CCOCC4)c4c(c32)CC(C)(C)OC4)c(NCCOCCO)n1	ZINC000020461573	553656106	/nfs/dbraw/zinc/65/61/06/553656106.db2.gz	KVKLGWHGTDUGES-UHFFFAOYSA-N	0	0	505.666	3.070	50	0		KGAARN
CCOC(=O)N1CCN(c2ncnc3c2sc2nc(N4CCOCC4)c4c(c23)CC(C)(C)OC4)CC1	ZINC000020461606	553656118	/nfs/dbraw/zinc/65/61/18/553656118.db2.gz	LCCBZSPSAHPACA-UHFFFAOYSA-N	0	0	512.636	3.206	50	0		KGAARN
CCOC(=O)c1[nH]c2ccc(OCC)cc2c1NC(=O)CN1CCN(Cc2ccc3c(c2)OCO3)CC1	ZINC000020461798	553656065	/nfs/dbraw/zinc/65/60/65/553656065.db2.gz	AOZFBBKFHYJWJO-UHFFFAOYSA-N	0	0	508.575	3.228	50	0		KGAARN
CCOC(=O)c1c(C)n(C)c2ccc(OC)c(NC(=O)CN3CCN(Cc4ccc5c(c4)OCO5)CC3)c21	ZINC000020462183	553656092	/nfs/dbraw/zinc/65/60/92/553656092.db2.gz	XJYSZIILBMZLLK-UHFFFAOYSA-N	0	0	522.602	3.157	50	0		KGAARN
O=C(c1ccc2c(c1)OCCO2)N1CCC(c2nc(-c3ccc(S(=O)(=O)N4CCCC4)cc3)no2)CC1	ZINC000020463047	553656353	/nfs/dbraw/zinc/65/63/53/553656353.db2.gz	NSCWARRLNBCDPD-UHFFFAOYSA-N	0	0	524.599	3.312	50	0		KGAARN
O=C(c1ccc2c(c1)OCO2)N1CCC(c2nc(-c3ccc(S(=O)(=O)N4CCCC4)cc3)no2)CC1	ZINC000020463051	553656472	/nfs/dbraw/zinc/65/64/72/553656472.db2.gz	JEWXLEBSEMIKTI-UHFFFAOYSA-N	0	0	510.572	3.270	50	0		KGAARN
O=C(Cc1ccc2c(c1)OCO2)N1CCC(c2nc(-c3ccc(S(=O)(=O)N4CCCC4)cc3)no2)CC1	ZINC000020463055	553656396	/nfs/dbraw/zinc/65/63/96/553656396.db2.gz	SODOLQUZYMXMQV-UHFFFAOYSA-N	0	0	524.599	3.199	50	0		KGAARN
COc1ccc(CC(=O)N2CCC(c3nc(-c4ccc(S(=O)(=O)N5CCCC5)cc4)no3)CC2)cc1	ZINC000020463060	553656477	/nfs/dbraw/zinc/65/64/77/553656477.db2.gz	CYOJMFDENYDFEU-UHFFFAOYSA-N	0	0	510.616	3.478	50	0		KGAARN
Cc1ccc(Cl)cc1S(=O)(=O)N1CCC(c2nc3c(nnn3Cc3ccc(F)cc3)c(=O)[nH]2)CC1	ZINC000020463072	553656381	/nfs/dbraw/zinc/65/63/81/553656381.db2.gz	QEBDPNBJIVIDLV-UHFFFAOYSA-N	0	0	516.986	3.232	50	0		KGAARN
O=C(c1ccc2c(c1)OCCO2)N1CCC(c2nc3c(nnn3Cc3cccc(Cl)c3)c(=O)[nH]2)CC1	ZINC000020463088	553656326	/nfs/dbraw/zinc/65/63/26/553656326.db2.gz	CPJJUKJDHBUTTD-UHFFFAOYSA-N	0	0	506.950	3.007	50	0		KGAARN
Cc1ccc(Cn2nnc3c2nc(C2CCN(S(=O)(=O)c4cc(Cl)ccc4C)CC2)[nH]c3=O)cc1	ZINC000020463095	553656485	/nfs/dbraw/zinc/65/64/85/553656485.db2.gz	WJCKQYSUKKBUPZ-UHFFFAOYSA-N	0	0	513.023	3.401	50	0		KGAARN
O=C(c1ccc2c(c1)OCO2)N1CCC(c2noc(-c3ccc(S(=O)(=O)N4CCCC4)cc3)n2)CC1	ZINC000020463136	553656481	/nfs/dbraw/zinc/65/64/81/553656481.db2.gz	OOWAZIPNCXFEOB-UHFFFAOYSA-N	0	0	510.572	3.270	50	0		KGAARN
O=C(Cc1ccc2c(c1)OCO2)N1CCC(c2noc(-c3ccc(S(=O)(=O)N4CCCC4)cc3)n2)CC1	ZINC000020463140	553656763	/nfs/dbraw/zinc/65/67/63/553656763.db2.gz	REDGOJCLKUENJO-UHFFFAOYSA-N	0	0	524.599	3.199	50	0		KGAARN
COc1ccc(CC(=O)N2CCC(c3noc(-c4ccc(S(=O)(=O)N5CCCC5)cc4)n3)CC2)cc1	ZINC000020463144	553656633	/nfs/dbraw/zinc/65/66/33/553656633.db2.gz	HPEODWOTAUKDMU-UHFFFAOYSA-N	0	0	510.616	3.478	50	0		KGAARN
Cc1ccc(S(=O)(=O)c2nc(S(=O)(=O)c3ccccc3)sc2NCCCN2CCOCC2)cc1	ZINC000020463259	553656808	/nfs/dbraw/zinc/65/68/08/553656808.db2.gz	VSXFKEBDHLWGLU-UHFFFAOYSA-N	0	0	521.686	3.251	50	0		KGAARN
C=C1C(N2CCN(Cc3ccc(OC)c(OC)c3OC)CC2)=NS(=O)(=O)C1c1ccc(OC)cc1	ZINC000020465814	553656732	/nfs/dbraw/zinc/65/67/32/553656732.db2.gz	JQLZPHKMJLSLDS-UHFFFAOYSA-N	0	0	501.605	3.012	50	0		KGAARN
C=C1C(N2CCN(Cc3ccc4c(c3)OCO4)CC2)=NS(=O)(=O)C1c1cccc(Br)c1	ZINC000020465832	553657113	/nfs/dbraw/zinc/65/71/13/553657113.db2.gz	DRFICKXEEIGOMU-UHFFFAOYSA-N	0	0	504.406	3.469	50	0		KGAARN
COc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=S)N2CCCN2CCOCC2)cc1	ZINC000020494147	553666687	/nfs/dbraw/zinc/66/66/87/553666687.db2.gz	KLAFBOPVVMJTCK-QFIPXVFZSA-N	0	0	517.051	3.402	50	0		KGAARN
COc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=S)N2CCCN2CCOCC2)cc1	ZINC000020494149	553666698	/nfs/dbraw/zinc/66/66/98/553666698.db2.gz	KLAFBOPVVMJTCK-JOCHJYFZSA-N	0	0	517.051	3.402	50	0		KGAARN
COC(=O)c1cn([C@@H]2C[C@@H](C(=O)NCCc3cccc(Cl)c3)N(Cc3ccc4ncccc4c3)C2)nn1	ZINC000020515639	1059076972	/nfs/dbraw/zinc/07/69/72/1059076972.db2.gz	PCDJFAOZDZMYIC-RDGATRHJSA-N	0	0	519.005	3.441	50	0		KGAARN
O=C([C@@H]1CCCN(S(=O)(=O)N2CCCCCC2)C1)N1CCN(c2cccc(C(F)(F)F)c2)CC1	ZINC000020532981	553670303	/nfs/dbraw/zinc/67/03/03/553670303.db2.gz	DNPJFYOLDDQBRY-LJQANCHMSA-N	0	0	502.603	3.187	50	0		KGAARN
O=C([C@H]1CCCN(S(=O)(=O)N2CCCCCC2)C1)N1CCN(c2cccc(C(F)(F)F)c2)CC1	ZINC000020532982	553670290	/nfs/dbraw/zinc/67/02/90/553670290.db2.gz	DNPJFYOLDDQBRY-IBGZPJMESA-N	0	0	502.603	3.187	50	0		KGAARN
CC1CCN(S(=O)(=O)N2CCC[C@@H](C(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)C2)CC1	ZINC000020533075	553670688	/nfs/dbraw/zinc/67/06/88/553670688.db2.gz	YELBSFSYZULGNZ-LJQANCHMSA-N	0	0	502.603	3.043	50	0		KGAARN
CC1CCN(S(=O)(=O)N2CCC[C@H](C(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)C2)CC1	ZINC000020533076	553670639	/nfs/dbraw/zinc/67/06/39/553670639.db2.gz	YELBSFSYZULGNZ-IBGZPJMESA-N	0	0	502.603	3.043	50	0		KGAARN
O=C([C@@H]1CCCN(c2ncnc3c2nc2n3CCCCC2)C1)N(CCCN1CCOCC1)Cc1ccco1	ZINC000020557035	553671703	/nfs/dbraw/zinc/67/17/03/553671703.db2.gz	ACZYWMPGLVVQAS-JOCHJYFZSA-N	0	0	521.666	3.113	50	0		KGAARN
O=C([C@H]1CCCN(c2ncnc3c2nc2n3CCCCC2)C1)N(CCCN1CCOCC1)Cc1ccco1	ZINC000020557038	553671652	/nfs/dbraw/zinc/67/16/52/553671652.db2.gz	ACZYWMPGLVVQAS-QFIPXVFZSA-N	0	0	521.666	3.113	50	0		KGAARN
O=C(c1cnn(-c2ccc(F)cc2)c1-n1cccc1)N1CCC[C@@H](C(=O)N2CCC3(CC2)OCCO3)C1	ZINC000020559390	553672004	/nfs/dbraw/zinc/67/20/04/553672004.db2.gz	FAQVPWUWSKSJRW-HXUWFJFHSA-N	0	0	507.566	3.020	50	0		KGAARN
O=C(c1cnn(-c2ccc(F)cc2)c1-n1cccc1)N1CCC[C@H](C(=O)N2CCC3(CC2)OCCO3)C1	ZINC000020559392	553671955	/nfs/dbraw/zinc/67/19/55/553671955.db2.gz	FAQVPWUWSKSJRW-FQEVSTJZSA-N	0	0	507.566	3.020	50	0		KGAARN
COc1ccc([C@@H](CC(=O)N2CCN(C(=O)c3ccco3)CC2)N2Cc3ccccc3C2=O)cc1OC	ZINC000020561276	553672287	/nfs/dbraw/zinc/67/22/87/553672287.db2.gz	DWQAPMSHEFLRRN-JOCHJYFZSA-N	0	0	503.555	3.369	50	0		KGAARN
COc1ccc([C@H](CC(=O)N2CCN(C(=O)c3ccco3)CC2)N2Cc3ccccc3C2=O)cc1OC	ZINC000020561279	553672499	/nfs/dbraw/zinc/67/24/99/553672499.db2.gz	DWQAPMSHEFLRRN-QFIPXVFZSA-N	0	0	503.555	3.369	50	0		KGAARN
CCN(Cc1ccccc1)C(=O)CCc1nc(CN2CCN(S(=O)(=O)c3ccc(F)c(C)c3)CC2)no1	ZINC000020562255	553672739	/nfs/dbraw/zinc/67/27/39/553672739.db2.gz	SSWSYBRQZPNGAF-UHFFFAOYSA-N	0	0	529.638	3.005	50	0		KGAARN
CN(C(=O)CCc1nc(CN2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)no1)C1CCCCC1	ZINC000020562290	553672801	/nfs/dbraw/zinc/67/28/01/553672801.db2.gz	GIIHYZBPRZOEPE-UHFFFAOYSA-N	0	0	516.089	3.015	50	0		KGAARN
CC(C)Cc1ccc(S(=O)(=O)N2CCN(Cc3noc(CCC(=O)N(C)C4CCCCC4)n3)CC2)cc1	ZINC000020562297	553672809	/nfs/dbraw/zinc/67/28/09/553672809.db2.gz	HDXLDLNMZALDEX-UHFFFAOYSA-N	0	0	531.723	3.498	50	0		KGAARN
CC(C)(C)c1ccc(S(=O)(=O)N2CCN(Cc3noc(CCC(=O)N4CCCCCC4)n3)CC2)cc1	ZINC000020562381	553673068	/nfs/dbraw/zinc/67/30/68/553673068.db2.gz	WPBCDOVYKYZWIU-UHFFFAOYSA-N	0	0	517.696	3.209	50	0		KGAARN
CC(C)Cc1ccc(S(=O)(=O)N2CCN(Cc3noc(CCC(=O)N4CCCCCC4)n3)CC2)cc1	ZINC000020562384	553673061	/nfs/dbraw/zinc/67/30/61/553673061.db2.gz	AMHWZIWTDHFOEI-UHFFFAOYSA-N	0	0	517.696	3.110	50	0		KGAARN
CCN(Cc1ccccc1)C(=O)CCc1nc(CN2CCN(C(=O)c3ccc(N(C)C)cc3)CC2)no1	ZINC000020562388	553673097	/nfs/dbraw/zinc/67/30/97/553673097.db2.gz	MBDVZRNEGSSHTO-UHFFFAOYSA-N	0	0	504.635	3.075	50	0		KGAARN
CCN(Cc1ccccc1)C(=O)CCc1nc(CN2CCN(C(=O)c3cc(CC(C)C)on3)CC2)no1	ZINC000020562407	553673086	/nfs/dbraw/zinc/67/30/86/553673086.db2.gz	QFPZBZLNYNDYRI-UHFFFAOYSA-N	0	0	508.623	3.195	50	0		KGAARN
CN(Cc1ccccc1)C(=O)CCc1nc(CN2CCN(C(=O)c3cc(-c4cccs4)on3)CC2)no1	ZINC000020562436	553673074	/nfs/dbraw/zinc/67/30/74/553673074.db2.gz	NGGRGFONXJOWJN-UHFFFAOYSA-N	0	0	520.615	3.335	50	0		KGAARN
CN(Cc1ccccc1)C(=O)CCc1nc(CN2CCN(C(=O)c3ccc(Br)cc3)CC2)no1	ZINC000020562441	553673077	/nfs/dbraw/zinc/67/30/77/553673077.db2.gz	UHOZFFPYPPNVMJ-UHFFFAOYSA-N	0	0	526.435	3.381	50	0		KGAARN
CN(Cc1ccccc1)C(=O)CCc1nc(CN2CCN(C(=O)c3ccccc3Br)CC2)no1	ZINC000020562444	553673104	/nfs/dbraw/zinc/67/31/04/553673104.db2.gz	WTDMRXQMJDMYQW-UHFFFAOYSA-N	0	0	526.435	3.381	50	0		KGAARN
CN(C(=O)CCc1nc(CN2CCN(C(=O)c3ccc(Br)o3)CC2)no1)C1CCCCC1	ZINC000020562475	553673051	/nfs/dbraw/zinc/67/30/51/553673051.db2.gz	GMBMEJYHLVVPCO-UHFFFAOYSA-N	0	0	508.417	3.107	50	0		KGAARN
CN(C(=O)CCc1nc(CN2CCN(C(=O)c3cc(-c4cccs4)on3)CC2)no1)C1CCCCC1	ZINC000020562479	553673044	/nfs/dbraw/zinc/67/30/44/553673044.db2.gz	AZCKNUVHCKJOSK-UHFFFAOYSA-N	0	0	512.636	3.468	50	0		KGAARN
CC1CCN(C(=O)CCc2nc(CN3CCN(C(=O)c4cc(-c5ccc(F)cc5)on4)CC3)no2)CC1	ZINC000020562522	553673053	/nfs/dbraw/zinc/67/30/53/553673053.db2.gz	GFBOXKKDCNVDAG-UHFFFAOYSA-N	0	0	510.570	3.013	50	0		KGAARN
O=C(CCc1nc(CN2CCN(C(=O)c3ccc(Br)cc3)CC2)no1)N1CCCCCC1	ZINC000020562583	553673341	/nfs/dbraw/zinc/67/33/41/553673341.db2.gz	NXZKBCBYRZKBMI-UHFFFAOYSA-N	0	0	504.429	3.125	50	0		KGAARN
CCN(C(=O)CCc1nc(CN2CCN(C(=O)CCc3ccc(OC)cc3)CC2)no1)c1ccccc1	ZINC000020562597	553673281	/nfs/dbraw/zinc/67/32/81/553673281.db2.gz	MHULJAHAAXXQMW-UHFFFAOYSA-N	0	0	505.619	3.341	50	0		KGAARN
CCN(C(=O)CCc1nc(CN2CCN(C(=O)c3ccc(Br)o3)CC2)no1)c1ccccc1	ZINC000020562603	553673303	/nfs/dbraw/zinc/67/33/03/553673303.db2.gz	YSLRUWZPJKZIDW-UHFFFAOYSA-N	0	0	516.396	3.369	50	0		KGAARN
CCCN1C(=O)N(CCC)C(=O)C2(Cc3ccccc3N3CCN(Cc4ccc5c(c4)OCO5)C[C@@H]32)C1=O	ZINC000020566946	553673698	/nfs/dbraw/zinc/67/36/98/553673698.db2.gz	ZFIJMFCEFYASRX-RUZDIDTESA-N	0	0	518.614	3.259	50	0		KGAARN
O=C(CN(c1cc(C(F)(F)F)ccc1Cl)S(=O)(=O)c1ccccc1)NCCCN1CCOCC1	ZINC000020567882	553673653	/nfs/dbraw/zinc/67/36/53/553673653.db2.gz	VLXRBGRYAQNPMQ-UHFFFAOYSA-N	0	0	519.973	3.393	50	0		KGAARN
O=C(CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)NCCN1CCOCC1	ZINC000020567899	553673623	/nfs/dbraw/zinc/67/36/23/553673623.db2.gz	OVGTYDWXLJVYGO-UHFFFAOYSA-N	0	0	505.946	3.003	50	0		KGAARN
O=C1Nc2ccccc2[C@]12N[C@@H]([C@H](O)c1ccc(Cl)cc1)[C@@H]1C(=O)N(CCc3ccccc3)C(=O)[C@@H]12	ZINC000020572464	553674588	/nfs/dbraw/zinc/67/45/88/553674588.db2.gz	GBUPVDBJOJQTGR-ZTCQUFLUSA-N	0	0	501.970	3.037	50	0		KGAARN
CCCn1c(SCC(=O)Nc2ccc(Br)cc2)nnc1[C@@H]1CCCN(S(C)(=O)=O)C1	ZINC000020572804	553674912	/nfs/dbraw/zinc/67/49/12/553674912.db2.gz	JTJIYHZDCAYEBO-CQSZACIVSA-N	0	0	516.487	3.320	50	0		KGAARN
CCCn1c(SCC(=O)Nc2ccc(Br)cc2)nnc1[C@H]1CCCN(S(C)(=O)=O)C1	ZINC000020572807	553674878	/nfs/dbraw/zinc/67/48/78/553674878.db2.gz	JTJIYHZDCAYEBO-AWEZNQCLSA-N	0	0	516.487	3.320	50	0		KGAARN
CC(C)(C)OC(=O)N1CCC(c2c(C(=O)NCCN3CCOCC3)cnn2-c2ccc(F)cc2F)CC1	ZINC000020575987	553675666	/nfs/dbraw/zinc/67/56/66/553675666.db2.gz	NQSYRXOUIMVTFO-UHFFFAOYSA-N	0	0	519.593	3.327	50	0		KGAARN
COc1ccc(-n2ncc(C(=O)NCCN3CCOCC3)c2C2CCN(C(=O)OC(C)(C)C)CC2)cc1	ZINC000020575998	553675715	/nfs/dbraw/zinc/67/57/15/553675715.db2.gz	NEXZOKPOIWANDR-UHFFFAOYSA-N	0	0	513.639	3.057	50	0		KGAARN
O=C(CN1C[C@H](c2ccccc2)CC1=O)N(Cc1cccc(OCCN2CCOCC2)c1)Cc1ccccn1	ZINC000020598936	553677236	/nfs/dbraw/zinc/67/72/36/553677236.db2.gz	ZSWGYWAXJIHTCM-HHHXNRCGSA-N	0	0	528.653	3.338	50	0		KGAARN
O=C(CN1C[C@@H](c2ccccc2)CC1=O)N(Cc1cccc(OCCN2CCOCC2)c1)Cc1ccccn1	ZINC000020598937	553677194	/nfs/dbraw/zinc/67/71/94/553677194.db2.gz	ZSWGYWAXJIHTCM-MHZLTWQESA-N	0	0	528.653	3.338	50	0		KGAARN
O=C(NCCN1CCOCC1)c1cnn2c1N[C@H](c1ccc(Br)cc1)C[C@H]2C(F)(F)F	ZINC000020601927	553677253	/nfs/dbraw/zinc/67/72/53/553677253.db2.gz	FCUXHJHWAOQLSA-IRXDYDNUSA-N	0	0	502.335	3.368	50	0		KGAARN
O=C(NCCN1CCOCC1)c1cnn2c1N[C@H](c1ccc(Br)cc1)C[C@@H]2C(F)(F)F	ZINC000020601928	553677264	/nfs/dbraw/zinc/67/72/64/553677264.db2.gz	FCUXHJHWAOQLSA-DLBZAZTESA-N	0	0	502.335	3.368	50	0		KGAARN
O=C(NCCN1CCOCC1)c1cnn2c1N[C@@H](c1ccc(Br)cc1)C[C@H]2C(F)(F)F	ZINC000020601929	553677314	/nfs/dbraw/zinc/67/73/14/553677314.db2.gz	FCUXHJHWAOQLSA-SJORKVTESA-N	0	0	502.335	3.368	50	0		KGAARN
O=C(NCCN1CCOCC1)c1cnn2c1N[C@@H](c1ccc(Br)cc1)C[C@@H]2C(F)(F)F	ZINC000020601930	553677324	/nfs/dbraw/zinc/67/73/24/553677324.db2.gz	FCUXHJHWAOQLSA-IAGOWNOFSA-N	0	0	502.335	3.368	50	0		KGAARN
COC(=O)C1=C(C)N=c2s/c(=C/c3c(C)nn(-c4ccccc4)c3C)c(=O)n2[C@@H]1c1ccc(OC)cc1	ZINC000020602300	553677673	/nfs/dbraw/zinc/67/76/73/553677673.db2.gz	GFFXENPVCVBNBC-XSZPGNIMSA-N	0	0	514.607	3.219	50	0		KGAARN
CCN1C(=O)/C(=C\c2cnn(C)c2C)N=C1SCC(=O)Nc1sc2c(c1C(=O)OC)CCCC2	ZINC000020602328	553677664	/nfs/dbraw/zinc/67/76/64/553677664.db2.gz	XCLKQRWQXGDOJI-MHWRWJLKSA-N	0	0	501.634	3.386	50	0		KGAARN
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccoc3)c(=O)n2[C@@H]1c1ccc(Br)cc1	ZINC000020602337	553677593	/nfs/dbraw/zinc/67/75/93/553677593.db2.gz	FVKVBWWJXPFONT-VOMPUTFMSA-N	0	0	500.418	3.459	50	0		KGAARN
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccoc3)c(=O)n2[C@H]1c1ccc(Br)cc1	ZINC000020602338	553677625	/nfs/dbraw/zinc/67/76/25/553677625.db2.gz	FVKVBWWJXPFONT-YWFITGJYSA-N	0	0	500.418	3.459	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C/c3c(C)nn(-c4ccccc4)c3C)c(=O)n2[C@@H]1c1ccc(O)cc1	ZINC000020602345	553677676	/nfs/dbraw/zinc/67/76/76/553677676.db2.gz	WCDGHNIQYUMZKC-XSZPGNIMSA-N	0	0	514.607	3.306	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C/c3c(C)nn(-c4ccccc4)c3C)c(=O)n2[C@H]1c1ccc(O)cc1	ZINC000020602346	553677657	/nfs/dbraw/zinc/67/76/57/553677657.db2.gz	WCDGHNIQYUMZKC-XXMKCSCWSA-N	0	0	514.607	3.306	50	0		KGAARN
CCN1C(=O)/C(=C\c2cn(C)nc2C)N=C1SCC(=O)Nc1sc2c(c1C(=O)OC)CCCC2	ZINC000020602379	553677589	/nfs/dbraw/zinc/67/75/89/553677589.db2.gz	WRGVCPXSRIHQBW-MHWRWJLKSA-N	0	0	501.634	3.386	50	0		KGAARN
CCn1cc(NC(=O)c2cc(-c3c(C)nn(C)c3C)nc3c2c(C)nn3C)c(C(=O)NC2CCCC2)n1	ZINC000020606320	553677913	/nfs/dbraw/zinc/67/79/13/553677913.db2.gz	RAIFJTKQSQWHIP-UHFFFAOYSA-N	0	0	503.611	3.435	50	0		KGAARN
CCc1ccc([C@@H]2CN3C(=O)CN(CCCN4CCOCC4)C(=O)[C@]3(C)c3[nH]c4ccccc4c32)cc1	ZINC000020610550	553678723	/nfs/dbraw/zinc/67/87/23/553678723.db2.gz	XOJKMCLZVULXBO-NGQVCNFZSA-N	0	0	500.643	3.484	50	0	biogenic	KGAARN
CCc1ccc([C@H]2CN3C(=O)CN(CCCN4CCOCC4)C(=O)[C@]3(C)c3[nH]c4ccccc4c32)cc1	ZINC000020610552	553678734	/nfs/dbraw/zinc/67/87/34/553678734.db2.gz	XOJKMCLZVULXBO-HLADLETHSA-N	0	0	500.643	3.484	50	0	biogenic	KGAARN
COc1cc2c(cc1OC)-c1cc(NCCN3CCN(C(=O)c4ccccc4Cl)CC3)nc(=O)n1CC2	ZINC000020611125	553679400	/nfs/dbraw/zinc/67/94/00/553679400.db2.gz	LYOXGQLPASUJTM-UHFFFAOYSA-N	0	0	524.021	3.007	50	0	biogenic	KGAARN
CCOc1cc2[nH]c(=O)n(Cc3ccc(C(=O)NCCC(OCC)OCC)cc3)c(=O)c2cc1OCC	ZINC000020616830	553680060	/nfs/dbraw/zinc/68/00/60/553680060.db2.gz	VWWLWMURTSBLOB-UHFFFAOYSA-N	0	0	513.591	3.055	50	0		KGAARN
CCOc1cc2[nH]c(=O)n(CCCCC(=O)N3CCN(Cc4ccccc4)CC3)c(=O)c2cc1OCC	ZINC000020616854	553680071	/nfs/dbraw/zinc/68/00/71/553680071.db2.gz	CJUPMAQXRHJLMI-UHFFFAOYSA-N	0	0	508.619	3.002	50	0		KGAARN
O=C(CCC(=O)Nc1nc(-c2cc3cc(Cl)ccc3oc2=O)cs1)NCCCN1CCOCC1	ZINC000020617715	553680632	/nfs/dbraw/zinc/68/06/32/553680632.db2.gz	VIOMFYIGAWXAHO-UHFFFAOYSA-N	0	0	504.996	3.127	50	0		KGAARN
O=C(CCc1cn(CN2CCN(C(=O)[C@@H]3COc4ccccc4O3)CC2)c2ccccc12)N1CCCC1	ZINC000020624562	553681046	/nfs/dbraw/zinc/68/10/46/553681046.db2.gz	LWKCDJLUPQMKJS-MHZLTWQESA-N	0	0	502.615	3.138	50	0		KGAARN
O=C(CCc1cn(CN2CCN(C(=O)[C@H]3COc4ccccc4O3)CC2)c2ccccc12)N1CCCC1	ZINC000020624566	553680947	/nfs/dbraw/zinc/68/09/47/553680947.db2.gz	LWKCDJLUPQMKJS-HHHXNRCGSA-N	0	0	502.615	3.138	50	0		KGAARN
CCCCNC(=O)CC[C@@H]1N=C2c3ccccc3N=C(S[C@@H](CC)C(=O)NCCCOC)N2C1=O	ZINC000020642757	553682253	/nfs/dbraw/zinc/68/22/53/553682253.db2.gz	WFOJFDRRBPOPCG-PMACEKPBSA-N	0	0	501.653	3.006	50	0		KGAARN
CCCCNC(=O)CC[C@H]1N=C2c3ccccc3N=C(S[C@@H](CC)C(=O)NCCCOC)N2C1=O	ZINC000020642759	553682350	/nfs/dbraw/zinc/68/23/50/553682350.db2.gz	WFOJFDRRBPOPCG-UXHICEINSA-N	0	0	501.653	3.006	50	0		KGAARN
CCCCNC(=O)CC[C@@H]1N=C2c3ccccc3N=C(S[C@H](CC)C(=O)NCCCOC)N2C1=O	ZINC000020642761	553682280	/nfs/dbraw/zinc/68/22/80/553682280.db2.gz	WFOJFDRRBPOPCG-VQTJNVASSA-N	0	0	501.653	3.006	50	0		KGAARN
CCCCNC(=O)CC[C@H]1N=C2c3ccccc3N=C(S[C@H](CC)C(=O)NCCCOC)N2C1=O	ZINC000020642763	553682378	/nfs/dbraw/zinc/68/23/78/553682378.db2.gz	WFOJFDRRBPOPCG-WOJBJXKFSA-N	0	0	501.653	3.006	50	0		KGAARN
CC[C@@H](C)NC(=O)CSC1=Nc2ccccc2C2=N[C@@H](CCC(=O)NCc3ccc(OC)cc3)C(=O)N21	ZINC000020642853	553682588	/nfs/dbraw/zinc/68/25/88/553682588.db2.gz	CUGSFESPAJIWKG-VGSWGCGISA-N	0	0	521.643	3.398	50	0		KGAARN
CC[C@H](C)NC(=O)CSC1=Nc2ccccc2C2=N[C@@H](CCC(=O)NCc3ccc(OC)cc3)C(=O)N21	ZINC000020642855	553682627	/nfs/dbraw/zinc/68/26/27/553682627.db2.gz	CUGSFESPAJIWKG-JTSKRJEESA-N	0	0	521.643	3.398	50	0		KGAARN
CC[C@@H](C)NC(=O)CSC1=Nc2ccccc2C2=N[C@H](CCC(=O)NCc3ccc(OC)cc3)C(=O)N21	ZINC000020642857	553682609	/nfs/dbraw/zinc/68/26/09/553682609.db2.gz	CUGSFESPAJIWKG-VGOFRKELSA-N	0	0	521.643	3.398	50	0		KGAARN
CC[C@H](C)NC(=O)CSC1=Nc2ccccc2C2=N[C@H](CCC(=O)NCc3ccc(OC)cc3)C(=O)N21	ZINC000020642859	553682618	/nfs/dbraw/zinc/68/26/18/553682618.db2.gz	CUGSFESPAJIWKG-HTAPYJJXSA-N	0	0	521.643	3.398	50	0		KGAARN
CC[C@@H](C)NC(=O)CSC1=Nc2ccccc2C2=N[C@@H](CCC(=O)NCc3ccccc3OC)C(=O)N21	ZINC000020642871	553682594	/nfs/dbraw/zinc/68/25/94/553682594.db2.gz	ZLWIBXBVCCFCBO-UTKZUKDTSA-N	0	0	521.643	3.398	50	0		KGAARN
CC[C@H](C)NC(=O)CSC1=Nc2ccccc2C2=N[C@@H](CCC(=O)NCc3ccccc3OC)C(=O)N21	ZINC000020642873	553682589	/nfs/dbraw/zinc/68/25/89/553682589.db2.gz	ZLWIBXBVCCFCBO-UWJYYQICSA-N	0	0	521.643	3.398	50	0		KGAARN
CC[C@@H](C)NC(=O)CSC1=Nc2ccccc2C2=N[C@H](CCC(=O)NCc3ccccc3OC)C(=O)N21	ZINC000020642875	553682576	/nfs/dbraw/zinc/68/25/76/553682576.db2.gz	ZLWIBXBVCCFCBO-DYESRHJHSA-N	0	0	521.643	3.398	50	0		KGAARN
CC[C@H](C)NC(=O)CSC1=Nc2ccccc2C2=N[C@H](CCC(=O)NCc3ccccc3OC)C(=O)N21	ZINC000020642877	553682593	/nfs/dbraw/zinc/68/25/93/553682593.db2.gz	ZLWIBXBVCCFCBO-LAUBAEHRSA-N	0	0	521.643	3.398	50	0		KGAARN
CC[C@@H](C)NC(=O)CSC1=Nc2ccccc2C2=N[C@@H](CCC(=O)NCCc3ccccc3)C(=O)N21	ZINC000020642900	553682578	/nfs/dbraw/zinc/68/25/78/553682578.db2.gz	NQIZPNPKTHTIAT-GCJKJVERSA-N	0	0	505.644	3.432	50	0		KGAARN
CC[C@H](C)NC(=O)CSC1=Nc2ccccc2C2=N[C@@H](CCC(=O)NCCc3ccccc3)C(=O)N21	ZINC000020642902	553682781	/nfs/dbraw/zinc/68/27/81/553682781.db2.gz	NQIZPNPKTHTIAT-AVRDEDQJSA-N	0	0	505.644	3.432	50	0		KGAARN
CC[C@@H](C)NC(=O)CSC1=Nc2ccccc2C2=N[C@H](CCC(=O)NCCc3ccccc3)C(=O)N21	ZINC000020642904	553682910	/nfs/dbraw/zinc/68/29/10/553682910.db2.gz	NQIZPNPKTHTIAT-XMSQKQJNSA-N	0	0	505.644	3.432	50	0		KGAARN
CC[C@H](C)NC(=O)CSC1=Nc2ccccc2C2=N[C@H](CCC(=O)NCCc3ccccc3)C(=O)N21	ZINC000020642906	553682866	/nfs/dbraw/zinc/68/28/66/553682866.db2.gz	NQIZPNPKTHTIAT-PGRDOPGGSA-N	0	0	505.644	3.432	50	0		KGAARN
CC[C@@H](SC1=Nc2ccccc2C2=N[C@@H](CC(=O)NCc3cccs3)C(=O)N21)C(=O)NCCCOC	ZINC000020642994	553682867	/nfs/dbraw/zinc/68/28/67/553682867.db2.gz	MJFFDJWCFNYXBE-VQTJNVASSA-N	0	0	527.672	3.078	50	0		KGAARN
CC[C@H](SC1=Nc2ccccc2C2=N[C@@H](CC(=O)NCc3cccs3)C(=O)N21)C(=O)NCCCOC	ZINC000020642996	553682897	/nfs/dbraw/zinc/68/28/97/553682897.db2.gz	MJFFDJWCFNYXBE-PMACEKPBSA-N	0	0	527.672	3.078	50	0		KGAARN
CC[C@@H](SC1=Nc2ccccc2C2=N[C@H](CC(=O)NCc3cccs3)C(=O)N21)C(=O)NCCCOC	ZINC000020642998	553682792	/nfs/dbraw/zinc/68/27/92/553682792.db2.gz	MJFFDJWCFNYXBE-WOJBJXKFSA-N	0	0	527.672	3.078	50	0		KGAARN
CC[C@H](SC1=Nc2ccccc2C2=N[C@H](CC(=O)NCc3cccs3)C(=O)N21)C(=O)NCCCOC	ZINC000020643000	553682815	/nfs/dbraw/zinc/68/28/15/553682815.db2.gz	MJFFDJWCFNYXBE-UXHICEINSA-N	0	0	527.672	3.078	50	0		KGAARN
CCCCNC(=O)C[C@@H]1N=C2c3ccccc3N=C(SCC(=O)Nc3cc(OC)ccc3OC)N2C1=O	ZINC000020643096	553683145	/nfs/dbraw/zinc/68/31/45/553683145.db2.gz	BCOZFKHBRLRTFP-FQEVSTJZSA-N	0	0	523.615	3.341	50	0		KGAARN
CCCCNC(=O)C[C@H]1N=C2c3ccccc3N=C(SCC(=O)Nc3cc(OC)ccc3OC)N2C1=O	ZINC000020643098	553683222	/nfs/dbraw/zinc/68/32/22/553683222.db2.gz	BCOZFKHBRLRTFP-HXUWFJFHSA-N	0	0	523.615	3.341	50	0		KGAARN
CC[C@@H](SC1=Nc2ccccc2C2=N[C@@H](CC(=O)NCc3ccccc3)C(=O)N21)C(=O)NCCCOC	ZINC000020643214	553683226	/nfs/dbraw/zinc/68/32/26/553683226.db2.gz	JAJPOVYJGKGHQY-FCHUYYIVSA-N	0	0	521.643	3.016	50	0		KGAARN
CC[C@H](SC1=Nc2ccccc2C2=N[C@@H](CC(=O)NCc3ccccc3)C(=O)N21)C(=O)NCCCOC	ZINC000020643216	553683151	/nfs/dbraw/zinc/68/31/51/553683151.db2.gz	JAJPOVYJGKGHQY-VXKWHMMOSA-N	0	0	521.643	3.016	50	0		KGAARN
CC[C@@H](SC1=Nc2ccccc2C2=N[C@H](CC(=O)NCc3ccccc3)C(=O)N21)C(=O)NCCCOC	ZINC000020643218	553683178	/nfs/dbraw/zinc/68/31/78/553683178.db2.gz	JAJPOVYJGKGHQY-FGZHOGPDSA-N	0	0	521.643	3.016	50	0		KGAARN
CC[C@H](SC1=Nc2ccccc2C2=N[C@H](CC(=O)NCc3ccccc3)C(=O)N21)C(=O)NCCCOC	ZINC000020643220	553683244	/nfs/dbraw/zinc/68/32/44/553683244.db2.gz	JAJPOVYJGKGHQY-YADHBBJMSA-N	0	0	521.643	3.016	50	0		KGAARN
COC(=O)c1ccc2c(c1)nc(SCc1cc(C(C)=O)ccc1OC)n(CCN1CCOCC1)c2=O	ZINC000020643673	553683524	/nfs/dbraw/zinc/68/35/24/553683524.db2.gz	NHSQWQCPEGECLJ-UHFFFAOYSA-N	0	0	511.600	3.019	50	0		KGAARN
COC(=O)c1ccc2c(c1)nc(SCC(=O)c1ccc(Cl)cc1)n(CCN1CCOCC1)c2=O	ZINC000020643686	553683478	/nfs/dbraw/zinc/68/34/78/553683478.db2.gz	LBCKTTHCRSUYLZ-UHFFFAOYSA-N	0	0	501.992	3.144	50	0		KGAARN
CC1CCN(C(=O)CSc2nc3ccccc3c(=O)n2CCC(=O)N2CCN(c3ccccc3)CC2)CC1	ZINC000020643951	553683771	/nfs/dbraw/zinc/68/37/71/553683771.db2.gz	ABUGOJTURAZZLJ-UHFFFAOYSA-N	0	0	533.698	3.486	50	0		KGAARN
O=C(CSc1nc2ccccc2c(=O)n1CCC(=O)N1CCN(c2ccccc2)CC1)NC1CCCC1	ZINC000020643954	553683770	/nfs/dbraw/zinc/68/37/70/553683770.db2.gz	YTNNHZFOALSIDI-UHFFFAOYSA-N	0	0	519.671	3.286	50	0		KGAARN
CC[C@@H](C)NC(=O)CSc1nc2ccccc2c(=O)n1CCC(=O)N1CCN(c2ccccc2)CC1	ZINC000020643978	553683802	/nfs/dbraw/zinc/68/38/02/553683802.db2.gz	RVRZVAQKWYGOPK-HXUWFJFHSA-N	0	0	507.660	3.142	50	0		KGAARN
CC[C@H](C)NC(=O)CSc1nc2ccccc2c(=O)n1CCC(=O)N1CCN(c2ccccc2)CC1	ZINC000020643980	553683774	/nfs/dbraw/zinc/68/37/74/553683774.db2.gz	RVRZVAQKWYGOPK-FQEVSTJZSA-N	0	0	507.660	3.142	50	0		KGAARN
CC[NH+]1CCN(CCCNC(=O)c2ccc3c(c2)[n-]c(=S)n(Cc2ccc(Cl)cc2)c3=O)CC1	ZINC000020644064	553683776	/nfs/dbraw/zinc/68/37/76/553683776.db2.gz	RBOVXEFKHMMWCB-UHFFFAOYSA-N	0	0	500.068	3.144	50	0		KGAARN
CCCN(CCC)C(=O)CSc1nc2cc(C(=O)NCCOC)ccc2c(=O)n1Cc1ccco1	ZINC000020644107	553684031	/nfs/dbraw/zinc/68/40/31/553684031.db2.gz	RMNPJTBZADXSOZ-UHFFFAOYSA-N	0	0	500.621	3.155	50	0		KGAARN
CCCCN(CC)C(=O)CSc1nc2cc(C(=O)NCCOC)ccc2c(=O)n1Cc1ccco1	ZINC000020644109	553684026	/nfs/dbraw/zinc/68/40/26/553684026.db2.gz	DEIHSXPCHXCGIX-UHFFFAOYSA-N	0	0	500.621	3.155	50	0		KGAARN
COCCNC(=O)c1ccc2c(c1)nc(SCC(=O)N(C)Cc1ccccc1)n(Cc1ccco1)c2=O	ZINC000020644116	553684019	/nfs/dbraw/zinc/68/40/19/553684019.db2.gz	LSWMCCXEBWAHPS-UHFFFAOYSA-N	0	0	520.611	3.165	50	0		KGAARN
O=C(CCCn1c(=O)c2ccccc2nc1SCC(=O)c1ccc(F)cc1)NCCCN1CCOCC1	ZINC000020644148	553684028	/nfs/dbraw/zinc/68/40/28/553684028.db2.gz	DDOSASRPGLCGPV-UHFFFAOYSA-N	0	0	526.634	3.129	50	0		KGAARN
CC[C@@H](C)NC(=O)CSc1nc2ccccc2c(=O)n1CCC(=O)NCCc1ccc(OC)c(OC)c1	ZINC000020644266	553684366	/nfs/dbraw/zinc/68/43/66/553684366.db2.gz	VQVYFKJZOIFJBW-GOSISDBHSA-N	0	0	526.659	3.170	50	0		KGAARN
CC[C@H](C)NC(=O)CSc1nc2ccccc2c(=O)n1CCC(=O)NCCc1ccc(OC)c(OC)c1	ZINC000020644268	553684337	/nfs/dbraw/zinc/68/43/37/553684337.db2.gz	VQVYFKJZOIFJBW-SFHVURJKSA-N	0	0	526.659	3.170	50	0		KGAARN
O=C(CSc1nc2cc(C(=O)NC[C@@H]3CCCO3)ccc2c(=O)n1Cc1ccco1)NC1CCCC1	ZINC000020644291	553684335	/nfs/dbraw/zinc/68/43/35/553684335.db2.gz	UXTCBKOJVCNKNL-IBGZPJMESA-N	0	0	510.616	3.098	50	0		KGAARN
O=C(CSc1nc2cc(C(=O)NC[C@H]3CCCO3)ccc2c(=O)n1Cc1ccco1)NC1CCCC1	ZINC000020644293	553684372	/nfs/dbraw/zinc/68/43/72/553684372.db2.gz	UXTCBKOJVCNKNL-LJQANCHMSA-N	0	0	510.616	3.098	50	0		KGAARN
CCOC(Cn1c(SCC(=O)N2CCN(c3ccccc3OC)CC2)nc2ccccc2c1=O)OCC	ZINC000020644300	553684339	/nfs/dbraw/zinc/68/43/39/553684339.db2.gz	PKXFYXYVCWEVHK-UHFFFAOYSA-N	0	0	526.659	3.245	50	0		KGAARN
O=C(CSc1nc2ccccc2c(=O)n1NC(=O)c1ccc(F)cc1)N1CCN(c2ccccc2)CC1	ZINC000020644350	553684346	/nfs/dbraw/zinc/68/43/46/553684346.db2.gz	ACHKFOCJDCDHMG-UHFFFAOYSA-N	0	0	517.586	3.360	50	0		KGAARN
O=C(N/C(=C\c1ccc2c(c1)OCO2)C(=O)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2)c1ccc(F)cc1	ZINC000020663102	553685924	/nfs/dbraw/zinc/68/59/24/553685924.db2.gz	GQJZXGZVIFEIAS-WNUQGJNESA-N	0	0	501.514	3.133	50	0	biogenic	KGAARN
COc1ccc(/C=C(\NC(=O)c2ccccc2F)C(=O)N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc1OC	ZINC000020663110	553685945	/nfs/dbraw/zinc/68/59/45/553685945.db2.gz	JSNPMCCWIJQJQG-CHFVUIEWSA-N	0	0	517.557	3.421	50	0	biogenic	KGAARN
O=C(N/C(=C\c1ccc2c(c1)OCO2)C(=O)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2)c1ccccc1F	ZINC000020663118	553685949	/nfs/dbraw/zinc/68/59/49/553685949.db2.gz	XPJAJBARXPEGFZ-YLKQRKHXSA-N	0	0	501.514	3.133	50	0	biogenic	KGAARN
COc1cc(/C=C(\NC(=O)C2CCCCC2)C(=O)N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)ccc1OC(C)=O	ZINC000020663148	553685913	/nfs/dbraw/zinc/68/59/13/553685913.db2.gz	HUINUEJLAVVRHE-IBPFXZHGSA-N	0	0	533.625	3.466	50	0	biogenic	KGAARN
COc1ccc(C(=O)N/C(=C\c2cc(OC)ccc2OC)C(=O)N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc1	ZINC000020663156	553685906	/nfs/dbraw/zinc/68/59/06/553685906.db2.gz	KNNADIQDNGPJEK-YJFDKCLYSA-N	0	0	529.593	3.291	50	0	biogenic	KGAARN
CC(=O)Oc1cccc(/C=C(\NC(=O)c2ccccc2C)C(=O)N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c1	ZINC000020663175	553685869	/nfs/dbraw/zinc/68/58/69/553685869.db2.gz	NQRVVEHXSUSJJN-VAAFBKRLSA-N	0	0	511.578	3.499	50	0	biogenic	KGAARN
CCOC(=O)N1CCC(NC(=O)CSc2nc3ccccc3n2S(=O)(=O)c2ccc(C)cc2)CC1	ZINC000020663382	553685916	/nfs/dbraw/zinc/68/59/16/553685916.db2.gz	CMUWAHQAJVJFMY-UHFFFAOYSA-N	0	0	516.645	3.411	50	0		KGAARN
CCOC(=O)N1CCN(c2c(C(=O)OC)cnc3ccc(S(=O)(=O)N(C)C4CCCCC4)cc32)CC1	ZINC000020676833	553687454	/nfs/dbraw/zinc/68/74/54/553687454.db2.gz	FMMIIGWZJRIVTM-UHFFFAOYSA-N	0	0	518.636	3.253	50	0		KGAARN
CC1CCN(S(=O)(=O)c2ccc3c(c2)N(CC(=O)Nc2ccccc2C(F)(F)F)C(=O)CO3)CC1	ZINC000020677170	553687380	/nfs/dbraw/zinc/68/73/80/553687380.db2.gz	IGADKHAPDHCULR-UHFFFAOYSA-N	0	0	511.522	3.490	50	0		KGAARN
COc1cc(CN(C(=S)NCC(=O)NCc2ccc3c(c2)OCO3)C2CCCC2)cc(OC)c1OC	ZINC000020679765	553687975	/nfs/dbraw/zinc/68/79/75/553687975.db2.gz	GEJBFQLVMVQBLR-UHFFFAOYSA-N	0	0	515.632	3.377	50	0		KGAARN
O=C(NC[C@@H]1COc2ccccc2O1)c1ccc(NC(=S)N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc1	ZINC000020683208	553688607	/nfs/dbraw/zinc/68/86/07/553688607.db2.gz	SPPDXRMJEISHAZ-KAGYGMCKSA-N	0	0	516.623	3.234	50	0		KGAARN
O=C(NC[C@H]1COc2ccccc2O1)c1ccc(NC(=S)N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc1	ZINC000020683213	553688664	/nfs/dbraw/zinc/68/86/64/553688664.db2.gz	SPPDXRMJEISHAZ-CBQOVEMMSA-N	0	0	516.623	3.234	50	0		KGAARN
COc1ccc(CNC(=O)CN2C(=O)CSc3ccc(S(=O)(=O)N4CCCCCC4)cc32)cc1	ZINC000020687604	553689682	/nfs/dbraw/zinc/68/96/82/553689682.db2.gz	WUUDLCBXKBADEI-UHFFFAOYSA-N	0	0	503.646	3.015	50	0		KGAARN
COc1ccccc1CNC(=O)CN1C(=O)CSc2ccc(S(=O)(=O)N3CCCCCC3)cc21	ZINC000020687627	553689656	/nfs/dbraw/zinc/68/96/56/553689656.db2.gz	ZPFMPGNWGOOJDP-UHFFFAOYSA-N	0	0	503.646	3.015	50	0		KGAARN
COc1cccc(CNC(=O)CN2C(=O)CSc3ccc(S(=O)(=O)N4CCCCCC4)cc32)c1	ZINC000020688094	553689703	/nfs/dbraw/zinc/68/97/03/553689703.db2.gz	MQQJSFHHJYYZCI-UHFFFAOYSA-N	0	0	503.646	3.015	50	0		KGAARN
O=C(CN1C(=O)CSc2ccc(S(=O)(=O)N3CCCCC3)cc21)NCCc1ccc(Cl)cc1	ZINC000020688785	553689670	/nfs/dbraw/zinc/68/96/70/553689670.db2.gz	FKYLPEOOHAXIDX-UHFFFAOYSA-N	0	0	508.065	3.312	50	0		KGAARN
CCCC(=O)Nc1cc(C(=O)N2CCN(C(=O)OCC)CC2)ccc1S(=O)(=O)c1ccc(C)cc1	ZINC000020723513	553689628	/nfs/dbraw/zinc/68/96/28/553689628.db2.gz	RGVASHBFJLENAO-UHFFFAOYSA-N	0	0	501.605	3.481	50	0		KGAARN
Cc1ccc(S(=O)(=O)NCc2ccc(C(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)cc2)cc1	ZINC000020727368	553690706	/nfs/dbraw/zinc/69/07/06/553690706.db2.gz	SIHUPMFYIHHPKY-UHFFFAOYSA-N	0	0	507.612	3.160	50	0		KGAARN
Cc1ccc(S(=O)(=O)NCc2ccc(C(=O)N(CCCN3CCOCC3)Cc3ccco3)cc2)cc1	ZINC000020728068	553691012	/nfs/dbraw/zinc/69/10/12/553691012.db2.gz	WILAHUVJSPHCQL-UHFFFAOYSA-N	0	0	511.644	3.431	50	0		KGAARN
O=C(CN1C(=O)/C(=C\c2cccc(Br)c2)Sc2ccccc21)NCCN1CCOCC1	ZINC000020728971	553691255	/nfs/dbraw/zinc/69/12/55/553691255.db2.gz	KQLFBFXZRGPCDR-RCCKNPSSSA-N	0	0	502.434	3.377	50	0		KGAARN
Cc1c(C(=O)N2CCN(Cc3ccccc3)CC2)sc2ncn(CC(=O)N3CCCC[C@H]3C)c(=O)c12	ZINC000020756193	553695091	/nfs/dbraw/zinc/69/50/91/553695091.db2.gz	ZVQLXYGZMAGWFS-LJQANCHMSA-N	0	0	507.660	3.125	50	0		KGAARN
Cc1c(C(=O)N2CCN(Cc3ccccc3)CC2)sc2ncn(CC(=O)N3CCCC[C@@H]3C)c(=O)c12	ZINC000020756200	553695153	/nfs/dbraw/zinc/69/51/53/553695153.db2.gz	ZVQLXYGZMAGWFS-IBGZPJMESA-N	0	0	507.660	3.125	50	0		KGAARN
COc1cc(NC(=O)c2sc3ncn(CC(=O)N4CCCC[C@@H]4C)c(=O)c3c2C)cc(OC)c1OC	ZINC000020756275	553695268	/nfs/dbraw/zinc/69/52/68/553695268.db2.gz	DYXSCPVVPOOVRI-AWEZNQCLSA-N	0	0	514.604	3.446	50	0		KGAARN
CCN1CCN(C(=O)c2sc3ncn(CC(=O)Nc4cccc(C(F)(F)F)c4)c(=O)c3c2C)CC1	ZINC000020757467	553695246	/nfs/dbraw/zinc/69/52/46/553695246.db2.gz	JVSIQGGWGJTPPI-UHFFFAOYSA-N	0	0	507.538	3.202	50	0		KGAARN
COc1ccc(CCNC(=O)c2sc3ncn(CC(=O)N4C[C@H](C)C[C@@H](C)C4)c(=O)c3c2C)cc1OC	ZINC000020758042	553695427	/nfs/dbraw/zinc/69/54/27/553695427.db2.gz	BBGSVFNWIYUTBC-IAGOWNOFSA-N	0	0	526.659	3.261	50	0		KGAARN
Cc1c(C(=O)N2CCN(Cc3ccccc3)CC2)sc2ncn(CC(=O)N3C[C@H](C)C[C@@H](C)C3)c(=O)c12	ZINC000020758097	553695432	/nfs/dbraw/zinc/69/54/32/553695432.db2.gz	OARHBNDWJLHROZ-WOJBJXKFSA-N	0	0	521.687	3.229	50	0		KGAARN
Cc1c(C(=O)N2CCN(Cc3ccccc3)CC2)sc2ncn(CC(=O)N3C[C@H](C)C[C@H](C)C3)c(=O)c12	ZINC000020758102	553695510	/nfs/dbraw/zinc/69/55/10/553695510.db2.gz	OARHBNDWJLHROZ-BGYRXZFFSA-N	0	0	521.687	3.229	50	0		KGAARN
Cc1c(C(=O)N2CCN(Cc3ccccc3)CC2)sc2ncn(CC(=O)N3C[C@@H](C)C[C@H](C)C3)c(=O)c12	ZINC000020758113	553695515	/nfs/dbraw/zinc/69/55/15/553695515.db2.gz	OARHBNDWJLHROZ-PMACEKPBSA-N	0	0	521.687	3.229	50	0		KGAARN
O=C([C@@H]1CCCN(S(=O)(=O)c2c[nH]cn2)C1)N1CCN([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1	ZINC000020760286	553695527	/nfs/dbraw/zinc/69/55/27/553695527.db2.gz	ZQAOTKSSVLXSQQ-RDGATRHJSA-N	0	0	528.078	3.398	50	0		KGAARN
O=C([C@@H]1CCCN(S(=O)(=O)c2c[nH]cn2)C1)N1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1	ZINC000020760291	553695419	/nfs/dbraw/zinc/69/54/19/553695419.db2.gz	ZQAOTKSSVLXSQQ-RCZVLFRGSA-N	0	0	528.078	3.398	50	0		KGAARN
O=C([C@H]1CCCN(S(=O)(=O)c2c[nH]cn2)C1)N1CCN([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1	ZINC000020760296	553695490	/nfs/dbraw/zinc/69/54/90/553695490.db2.gz	ZQAOTKSSVLXSQQ-DHLKQENFSA-N	0	0	528.078	3.398	50	0		KGAARN
O=C([C@H]1CCCN(S(=O)(=O)c2c[nH]cn2)C1)N1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1	ZINC000020760301	553695521	/nfs/dbraw/zinc/69/55/21/553695521.db2.gz	ZQAOTKSSVLXSQQ-WIOPSUGQSA-N	0	0	528.078	3.398	50	0		KGAARN
COc1cccc(N2C(=O)[C@H]3[C@@H](C(C)C)N[C@]4(c5ccccc5-n5c4nc4ccccc4c5=O)[C@H]3C2=O)c1	ZINC000020760795	553695806	/nfs/dbraw/zinc/69/58/06/553695806.db2.gz	DQOVDNNUWFTIJS-SFOWLQBLSA-N	0	0	506.562	3.385	50	0	biogenic	KGAARN
COc1cccc(N2C(=O)[C@H]3[C@H](C(C)C)N[C@]4(c5ccccc5-n5c4nc4ccccc4c5=O)[C@H]3C2=O)c1	ZINC000020760801	553695850	/nfs/dbraw/zinc/69/58/50/553695850.db2.gz	DQOVDNNUWFTIJS-ZASNTINBSA-N	0	0	506.562	3.385	50	0	biogenic	KGAARN
COc1cccc(N2C(=O)[C@H]3[C@@H](C(C)C)N[C@@]4(c5ccccc5-n5c4nc4ccccc4c5=O)[C@H]3C2=O)c1	ZINC000020760806	553695821	/nfs/dbraw/zinc/69/58/21/553695821.db2.gz	DQOVDNNUWFTIJS-GBRARVNLSA-N	0	0	506.562	3.385	50	0	biogenic	KGAARN
COc1cccc(N2C(=O)[C@H]3[C@H](C(C)C)N[C@@]4(c5ccccc5-n5c4nc4ccccc4c5=O)[C@H]3C2=O)c1	ZINC000020760811	553695875	/nfs/dbraw/zinc/69/58/75/553695875.db2.gz	DQOVDNNUWFTIJS-ZRIOWSNCSA-N	0	0	506.562	3.385	50	0	biogenic	KGAARN
COc1cccc(N2CCN(C(=O)c3ccc(CNc4c(=O)c(=O)c4N4CCC(C)CC4)cc3)CC2)c1	ZINC000020760833	553695839	/nfs/dbraw/zinc/69/58/39/553695839.db2.gz	XMTJVPNPPZNUJA-UHFFFAOYSA-N	0	0	502.615	3.102	50	0		KGAARN
O=C(CNC(=O)c1ncccc1C(=O)NCCc1cc2ccccc2[nH]1)NCCc1cc2ccccc2[nH]1	ZINC000020761173	553695882	/nfs/dbraw/zinc/69/58/82/553695882.db2.gz	XQHNCEITVGHMOX-UHFFFAOYSA-N	0	0	508.582	3.105	50	0	biogenic	KGAARN
COc1ccc(N2C(=O)[C@H]3[C@@H](C(C)C)N[C@]4(c5ccccc5-n5c4nc4ccccc4c5=O)[C@H]3C2=O)cc1	ZINC000020762669	553696092	/nfs/dbraw/zinc/69/60/92/553696092.db2.gz	TXJYMBKKUNROPH-SFOWLQBLSA-N	0	0	506.562	3.385	50	0	biogenic	KGAARN
COc1ccc(N2C(=O)[C@H]3[C@H](C(C)C)N[C@]4(c5ccccc5-n5c4nc4ccccc4c5=O)[C@H]3C2=O)cc1	ZINC000020762673	553696099	/nfs/dbraw/zinc/69/60/99/553696099.db2.gz	TXJYMBKKUNROPH-ZASNTINBSA-N	0	0	506.562	3.385	50	0	biogenic	KGAARN
COc1ccc(N2C(=O)[C@H]3[C@@H](C(C)C)N[C@@]4(c5ccccc5-n5c4nc4ccccc4c5=O)[C@H]3C2=O)cc1	ZINC000020762678	553696069	/nfs/dbraw/zinc/69/60/69/553696069.db2.gz	TXJYMBKKUNROPH-GBRARVNLSA-N	0	0	506.562	3.385	50	0	biogenic	KGAARN
COc1ccc(N2C(=O)[C@H]3[C@H](C(C)C)N[C@@]4(c5ccccc5-n5c4nc4ccccc4c5=O)[C@H]3C2=O)cc1	ZINC000020762683	553696116	/nfs/dbraw/zinc/69/61/16/553696116.db2.gz	TXJYMBKKUNROPH-ZRIOWSNCSA-N	0	0	506.562	3.385	50	0	biogenic	KGAARN
COc1ccccc1N1C(=O)[C@H]2[C@@H](C(C)C)N[C@]3(c4ccccc4-n4c3nc3ccccc3c4=O)[C@H]2C1=O	ZINC000020762920	553696181	/nfs/dbraw/zinc/69/61/81/553696181.db2.gz	KHTZZYKUGADTOA-SFOWLQBLSA-N	0	0	506.562	3.385	50	0	biogenic	KGAARN
COc1ccccc1N1C(=O)[C@H]2[C@H](C(C)C)N[C@]3(c4ccccc4-n4c3nc3ccccc3c4=O)[C@H]2C1=O	ZINC000020762925	553696150	/nfs/dbraw/zinc/69/61/50/553696150.db2.gz	KHTZZYKUGADTOA-ZASNTINBSA-N	0	0	506.562	3.385	50	0	biogenic	KGAARN
COc1ccccc1N1C(=O)[C@H]2[C@@H](C(C)C)N[C@@]3(c4ccccc4-n4c3nc3ccccc3c4=O)[C@H]2C1=O	ZINC000020762930	553696106	/nfs/dbraw/zinc/69/61/06/553696106.db2.gz	KHTZZYKUGADTOA-GBRARVNLSA-N	0	0	506.562	3.385	50	0	biogenic	KGAARN
COc1ccccc1N1C(=O)[C@H]2[C@H](C(C)C)N[C@@]3(c4ccccc4-n4c3nc3ccccc3c4=O)[C@H]2C1=O	ZINC000020762935	553696134	/nfs/dbraw/zinc/69/61/34/553696134.db2.gz	KHTZZYKUGADTOA-ZRIOWSNCSA-N	0	0	506.562	3.385	50	0	biogenic	KGAARN
COc1ccc([C@@H](CC(=O)NCCc2ccc(OC)c(OC)c2)NS(=O)(=O)c2ccc(OC)cc2)cc1	ZINC000020766022	553697218	/nfs/dbraw/zinc/69/72/18/553697218.db2.gz	HKZRSWLNPLLROG-XMMPIXPASA-N	0	0	528.627	3.490	50	0	biogenic	KGAARN
COc1ccc([C@H](CC(=O)NCCc2ccc(OC)c(OC)c2)NS(=O)(=O)c2ccc(OC)cc2)cc1	ZINC000020766026	553697221	/nfs/dbraw/zinc/69/72/21/553697221.db2.gz	HKZRSWLNPLLROG-DEOSSOPVSA-N	0	0	528.627	3.490	50	0	biogenic	KGAARN
CCOC(=O)N1CCC(NC(=O)C[C@@H](NS(=O)(=O)c2ccc(C)cc2)c2ccc(OC)cc2)CC1	ZINC000020766111	553697174	/nfs/dbraw/zinc/69/71/74/553697174.db2.gz	XOVNNCCRFWDIIJ-HSZRJFAPSA-N	0	0	503.621	3.150	50	0		KGAARN
CCOC(=O)N1CCC(NC(=O)C[C@H](NS(=O)(=O)c2ccc(C)cc2)c2ccc(OC)cc2)CC1	ZINC000020766115	553697249	/nfs/dbraw/zinc/69/72/49/553697249.db2.gz	XOVNNCCRFWDIIJ-QHCPKHFHSA-N	0	0	503.621	3.150	50	0		KGAARN
CCN(CC)c1ccc(NC(=O)CN2CCN(CC(=O)Nc3ccc(Br)cc3)CC2)cc1	ZINC000020766958	553697548	/nfs/dbraw/zinc/69/75/48/553697548.db2.gz	QNMINMPDYVMTNX-UHFFFAOYSA-N	0	0	502.457	3.490	50	0		KGAARN
CCOc1ccc(-n2nc(C(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)c3ccccc3c2=O)cc1	ZINC000020768809	553698077	/nfs/dbraw/zinc/69/80/77/553698077.db2.gz	TWCHVESJDCSWBL-UHFFFAOYSA-N	0	0	512.566	3.471	50	0		KGAARN
COc1ccccc1-c1ccc(C(=O)NCCN2CCOCC2)c(N2CCN(c3ccccc3F)CC2)n1	ZINC000020774394	553698152	/nfs/dbraw/zinc/69/81/52/553698152.db2.gz	YDULOKDLHYYXII-UHFFFAOYSA-N	0	0	519.621	3.285	50	0		KGAARN
O=C(NCc1ccc2c(c1)OCO2)c1ccc(CN2CCN(c3cccc(C(F)(F)F)c3)CC2)[nH]c1=O	ZINC000020780546	553698086	/nfs/dbraw/zinc/69/80/86/553698086.db2.gz	YHRQWHMGBNKIIR-UHFFFAOYSA-N	0	0	514.504	3.375	50	0		KGAARN
COc1ccc(S(=O)(=O)N(Cc2cccc(OCCN3CCOCC3)c2)Cc2ccccn2)cc1OC	ZINC000020783620	1060024014	/nfs/dbraw/zinc/02/40/14/1060024014.db2.gz	MTKLYKFXWOAMTG-UHFFFAOYSA-N	0	0	527.643	3.201	50	0		KGAARN
COc1ccc(OC)c(S(=O)(=O)N(Cc2cccc(OCCN3CCOCC3)c2)Cc2ccccn2)c1	ZINC000020783664	1060023975	/nfs/dbraw/zinc/02/39/75/1060023975.db2.gz	QQWGGDMAAGGQQT-UHFFFAOYSA-N	0	0	527.643	3.201	50	0		KGAARN
COc1ccc(-c2noc(N3CCC(C(=O)NN4CCN(c5cccc(Cl)c5)CC4)CC3)n2)cc1OC	ZINC000020847901	553699102	/nfs/dbraw/zinc/69/91/02/553699102.db2.gz	RDQCFBPYGBGVCP-UHFFFAOYSA-N	0	0	527.025	3.477	50	0		KGAARN
COC(=O)C1=C(CS(=O)(=O)c2ccc(CC(C)C)cc2)NC(=O)N[C@@H]1c1ccc(OC)c(OC)c1	ZINC000020848890	553699158	/nfs/dbraw/zinc/69/91/58/553699158.db2.gz	FTHIMTSPXXQPFO-HSZRJFAPSA-N	0	0	502.589	3.157	50	0		KGAARN
COC(=O)C1=C(CS(=O)(=O)c2ccc(CC(C)C)cc2)NC(=O)N[C@H]1c1ccc(OC)c(OC)c1	ZINC000020848893	553699128	/nfs/dbraw/zinc/69/91/28/553699128.db2.gz	FTHIMTSPXXQPFO-QHCPKHFHSA-N	0	0	502.589	3.157	50	0		KGAARN
COC(=O)C1=C(CS(=O)(=O)c2ccc(C(C)(C)C)cc2)NC(=O)N[C@@H]1c1ccc(OC)c(OC)c1	ZINC000020848896	553699056	/nfs/dbraw/zinc/69/90/56/553699056.db2.gz	NTHXCMYKRYYORZ-JOCHJYFZSA-N	0	0	502.589	3.256	50	0		KGAARN
COC(=O)C1=C(CS(=O)(=O)c2ccc(C(C)(C)C)cc2)NC(=O)N[C@H]1c1ccc(OC)c(OC)c1	ZINC000020848899	553699176	/nfs/dbraw/zinc/69/91/76/553699176.db2.gz	NTHXCMYKRYYORZ-QFIPXVFZSA-N	0	0	502.589	3.256	50	0		KGAARN
CCOC(=O)C1=C(CS(=O)(=O)c2ccc(Br)s2)NC(=O)N[C@@H]1c1cccc(OC)c1	ZINC000020849069	553699416	/nfs/dbraw/zinc/69/94/16/553699416.db2.gz	VTHVIYTUQXINTA-QGZVFWFLSA-N	0	0	515.407	3.164	50	0		KGAARN
CCOC(=O)C1=C(CS(=O)(=O)c2ccc(Br)s2)NC(=O)N[C@H]1c1cccc(OC)c1	ZINC000020849072	553699338	/nfs/dbraw/zinc/69/93/38/553699338.db2.gz	VTHVIYTUQXINTA-KRWDZBQOSA-N	0	0	515.407	3.164	50	0		KGAARN
CCOc1ccc([C@@H]2NC(=O)NC(CS(=O)(=O)c3ccc(Br)cc3)=C2C(=O)OC)cc1	ZINC000020849075	553699385	/nfs/dbraw/zinc/69/93/85/553699385.db2.gz	OCDDPDPEPLUUKM-IBGZPJMESA-N	0	0	509.378	3.103	50	0		KGAARN
CCOc1ccc([C@H]2NC(=O)NC(CS(=O)(=O)c3ccc(Br)cc3)=C2C(=O)OC)cc1	ZINC000020849078	553699358	/nfs/dbraw/zinc/69/93/58/553699358.db2.gz	OCDDPDPEPLUUKM-LJQANCHMSA-N	0	0	509.378	3.103	50	0		KGAARN
Cc1ccc2c(c1)[C@H]1C[C@@](C)(O2)N(c2cccc(C(=O)NCCc3ccc(S(N)(=O)=O)cc3)c2)C(=O)N1	ZINC000020854874	553700241	/nfs/dbraw/zinc/70/02/41/553700241.db2.gz	UFIIJXJDIWNHHH-YIXXDRMTSA-N	0	0	520.611	3.385	50	0		KGAARN
COc1ccc(S(=O)(=O)N2CC(=O)N(c3cccc(C)c3C)[C@@](C)(C(=O)NCc3ccccc3)C2)cc1	ZINC000020864056	553700382	/nfs/dbraw/zinc/70/03/82/553700382.db2.gz	ZWLIJIYAFDOUBA-MUUNZHRXSA-N	0	0	521.639	3.425	50	0		KGAARN
COc1ccc(S(=O)(=O)N2CC(=O)N(c3cccc(C)c3C)[C@](C)(C(=O)NCc3ccccc3)C2)cc1	ZINC000020864060	553700358	/nfs/dbraw/zinc/70/03/58/553700358.db2.gz	ZWLIJIYAFDOUBA-NDEPHWFRSA-N	0	0	521.639	3.425	50	0		KGAARN
O=C(c1cccc(Cl)c1)N1CCC(c2nc3c(nnn3Cc3ccc4c(c3)OCCO4)c(=O)[nH]2)CC1	ZINC000020869134	553700768	/nfs/dbraw/zinc/70/07/68/553700768.db2.gz	COHFWAQRLDONJS-UHFFFAOYSA-N	0	0	506.950	3.007	50	0		KGAARN
Cc1ccc(S(=O)(=O)c2nc(S(=O)(=O)c3ccc(C)cc3)c(NCCN3CCOCC3)s2)cc1	ZINC000020869247	553700726	/nfs/dbraw/zinc/70/07/26/553700726.db2.gz	YDWGYJZJNRZORW-UHFFFAOYSA-N	0	0	521.686	3.170	50	0		KGAARN
COc1cc(C(=O)Nc2c3ccccc3oc2C(=O)N2CCN(c3ncccn3)CC2)cc(OC)c1OC	ZINC000020900538	553701377	/nfs/dbraw/zinc/70/13/77/553701377.db2.gz	SJYLJVQVSQFMNP-UHFFFAOYSA-N	0	0	517.542	3.463	50	0		KGAARN
O=S(=O)(c1c(F)cccc1F)N(Cc1cccc(OCCN2CCOCC2)c1)Cc1ccccn1	ZINC000020909664	1060024647	/nfs/dbraw/zinc/02/46/47/1060024647.db2.gz	CKOHLCNFKPIACN-UHFFFAOYSA-N	0	0	503.571	3.462	50	0		KGAARN
COc1ccc2cc3n(c2c1)C[C@](C)(C(=O)NC[C@@H]1CCCO1)N(Cc1cccc(OC)c1OC)C3=O	ZINC000020918257	553703858	/nfs/dbraw/zinc/70/38/58/553703858.db2.gz	JFMVYSQDLVBEIA-RBTNQOKQSA-N	0	0	507.587	3.377	50	0		KGAARN
COc1ccc2cc3n(c2c1)C[C@@](C)(C(=O)NC[C@@H]1CCCO1)N(Cc1cccc(OC)c1OC)C3=O	ZINC000020918266	553703878	/nfs/dbraw/zinc/70/38/78/553703878.db2.gz	JFMVYSQDLVBEIA-KMRXNPHXSA-N	0	0	507.587	3.377	50	0		KGAARN
COc1ccc2cc3n(c2c1)C[C@](C)(C(=O)NC[C@H]1CCCO1)N(Cc1cccc(OC)c1OC)C3=O	ZINC000020918272	553703842	/nfs/dbraw/zinc/70/38/42/553703842.db2.gz	JFMVYSQDLVBEIA-LYZGTLIUSA-N	0	0	507.587	3.377	50	0		KGAARN
COc1ccc2cc3n(c2c1)C[C@@](C)(C(=O)NC[C@H]1CCCO1)N(Cc1cccc(OC)c1OC)C3=O	ZINC000020918278	553703863	/nfs/dbraw/zinc/70/38/63/553703863.db2.gz	JFMVYSQDLVBEIA-PIKZIKFNSA-N	0	0	507.587	3.377	50	0		KGAARN
O=C(CCc1nc(CN2CCN(C(=O)c3ccccc3Br)CC2)no1)N1CCCCCC1	ZINC000020936705	553704395	/nfs/dbraw/zinc/70/43/95/553704395.db2.gz	QHCWEZWZMMBVCB-UHFFFAOYSA-N	0	0	504.429	3.125	50	0		KGAARN
Cc1cc(C)n(Cc2ccc(C(=O)N3CCN(CCOc4cccc(CN5CCOCC5)c4)CC3)cc2)n1	ZINC000020995533	1060024823	/nfs/dbraw/zinc/02/48/23/1060024823.db2.gz	ZLNJROVDZNCEKO-UHFFFAOYSA-N	0	0	517.674	3.217	50	0		KGAARN
CNC(=O)c1ccc(-c2nc(CN3CCN(C(=O)Nc4cc(OC)c(OC)c(OC)c4)CC3)c(C)o2)cc1	ZINC000021021134	553705593	/nfs/dbraw/zinc/70/55/93/553705593.db2.gz	AIUQJXDSVMPALO-UHFFFAOYSA-N	0	0	523.590	3.385	50	0		KGAARN
O=C([C@@H]1CCCN(c2nnc(N3CCCC3=O)s2)C1)N1CCN(c2cccc(C(F)(F)F)c2)CC1	ZINC000021026417	553705856	/nfs/dbraw/zinc/70/58/56/553705856.db2.gz	ZYSJPBUPJOCAMZ-MRXNPFEDSA-N	0	0	508.570	3.249	50	0		KGAARN
O=C([C@H]1CCCN(c2nnc(N3CCCC3=O)s2)C1)N1CCN(c2cccc(C(F)(F)F)c2)CC1	ZINC000021026427	553705943	/nfs/dbraw/zinc/70/59/43/553705943.db2.gz	ZYSJPBUPJOCAMZ-INIZCTEOSA-N	0	0	508.570	3.249	50	0		KGAARN
O=C(CCNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CC1)Nc1ccc(Br)cc1F	ZINC000021112013	553706623	/nfs/dbraw/zinc/70/66/23/553706623.db2.gz	RDBLQQLIPMPHCB-UHFFFAOYSA-N	0	0	510.385	3.194	50	0		KGAARN
Cc1ccc(NC(=O)CCNS(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CC2)c(Br)c1	ZINC000021112089	553706662	/nfs/dbraw/zinc/70/66/62/553706662.db2.gz	XEIAAJWWTGNQTQ-UHFFFAOYSA-N	0	0	506.422	3.364	50	0		KGAARN
Cc1cc(NC(=O)CCNS(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CC2)ccc1Br	ZINC000021112130	553706657	/nfs/dbraw/zinc/70/66/57/553706657.db2.gz	DLWZRPQYHJNCQX-UHFFFAOYSA-N	0	0	506.422	3.364	50	0		KGAARN
COc1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc4c(c3)CCCN4C(C)=O)C2)cc1OC	ZINC000021114146	553706753	/nfs/dbraw/zinc/70/67/53/553706753.db2.gz	FETARVWLYYMKRU-LJQANCHMSA-N	0	0	501.605	3.042	50	0		KGAARN
COc1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc4c(c3)CCCN4C(C)=O)C2)cc1OC	ZINC000021114151	553706802	/nfs/dbraw/zinc/70/68/02/553706802.db2.gz	FETARVWLYYMKRU-IBGZPJMESA-N	0	0	501.605	3.042	50	0		KGAARN
CCOC(=O)c1c(C)n(C)c(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc(C)c(N(C)C)c2)C1	ZINC000021116571	553707091	/nfs/dbraw/zinc/70/70/91/553707091.db2.gz	NJJYHASQXFNRED-LJQANCHMSA-N	0	0	504.653	3.232	50	0		KGAARN
CCOC(=O)c1c(C)n(C)c(C)c1S(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc(C)c(N(C)C)c2)C1	ZINC000021116577	553707035	/nfs/dbraw/zinc/70/70/35/553707035.db2.gz	NJJYHASQXFNRED-IBGZPJMESA-N	0	0	504.653	3.232	50	0		KGAARN
COc1ccc(NC(=O)CS[C@@H]2NN=C(CCC(=O)N3CCCC3)C(=O)N2c2ccccc2)c(OC)c1	ZINC000021161633	553708358	/nfs/dbraw/zinc/70/83/58/553708358.db2.gz	ZFWNLJRQJKNPJW-AREMUKBSSA-N	0	0	525.631	3.054	50	0		KGAARN
COc1ccc(NC(=O)CS[C@H]2NN=C(CCC(=O)N3CCCC3)C(=O)N2c2ccccc2)c(OC)c1	ZINC000021161638	553708315	/nfs/dbraw/zinc/70/83/15/553708315.db2.gz	ZFWNLJRQJKNPJW-SANMLTNESA-N	0	0	525.631	3.054	50	0		KGAARN
COc1cc(Nc2nc(OC(C(F)(F)F)C(F)(F)F)nc(N3CCOCC3)n2)cc(OC)c1OC	ZINC000021260985	553709273	/nfs/dbraw/zinc/70/92/73/553709273.db2.gz	JIOIUCIUSHRZTG-UHFFFAOYSA-N	0	0	513.395	3.350	50	0		KGAARN
CCOC(=O)C1=C(C)N(CC(=O)N2CCN(c3ccccc3)CC2)c2ncnn2[C@@H]1c1ccc(C)cc1	ZINC000021350543	553709397	/nfs/dbraw/zinc/70/93/97/553709397.db2.gz	YCRJKBOWAAUVSJ-AREMUKBSSA-N	0	0	500.603	3.182	50	0		KGAARN
CCOC(=O)C1=C(C)N(CC(=O)N2CCN(c3ccccc3)CC2)c2ncnn2[C@H]1c1ccc(C)cc1	ZINC000021350548	553709433	/nfs/dbraw/zinc/70/94/33/553709433.db2.gz	YCRJKBOWAAUVSJ-SANMLTNESA-N	0	0	500.603	3.182	50	0		KGAARN
CCOC(=O)C1=C(C)N(CC(=O)N2CCN(c3cccc(C)c3)CC2)c2ncnn2[C@@H]1c1ccc(C)cc1	ZINC000021350849	553709470	/nfs/dbraw/zinc/70/94/70/553709470.db2.gz	YWPMGBCYXMVJDO-HHHXNRCGSA-N	0	0	514.630	3.490	50	0		KGAARN
CCOC(=O)C1=C(C)N(CC(=O)N2CCN(c3cccc(C)c3)CC2)c2ncnn2[C@H]1c1ccc(C)cc1	ZINC000021350854	553709462	/nfs/dbraw/zinc/70/94/62/553709462.db2.gz	YWPMGBCYXMVJDO-MHZLTWQESA-N	0	0	514.630	3.490	50	0		KGAARN
CCOC(=O)C1=C(C)N(CC(=O)N2CCN(c3ccc(F)cc3)CC2)c2ncnn2[C@@H]1c1ccc(C)cc1	ZINC000021350858	553709381	/nfs/dbraw/zinc/70/93/81/553709381.db2.gz	UBRMEMBTQUKUEX-AREMUKBSSA-N	0	0	518.593	3.321	50	0		KGAARN
CCOC(=O)C1=C(C)N(CC(=O)N2CCN(c3ccc(F)cc3)CC2)c2ncnn2[C@H]1c1ccc(C)cc1	ZINC000021350863	553709388	/nfs/dbraw/zinc/70/93/88/553709388.db2.gz	UBRMEMBTQUKUEX-SANMLTNESA-N	0	0	518.593	3.321	50	0		KGAARN
CC(C)n1c(=O)sc2cc(S(=O)(=O)N3CCN(C(=O)c4ccc(Br)o4)CC3)ccc21	ZINC000021358169	553709721	/nfs/dbraw/zinc/70/97/21/553709721.db2.gz	QBSOPLLBYMXHSK-UHFFFAOYSA-N	0	0	514.423	3.146	50	0		KGAARN
COc1ccc(/C=C/C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)sc(=O)n4C(C)C)CC2)cc1	ZINC000021358254	553709730	/nfs/dbraw/zinc/70/97/30/553709730.db2.gz	XLDCRYGPLITZKX-IZZDOVSWSA-N	0	0	501.630	3.199	50	0		KGAARN
CC(C)n1c(=O)sc2cc(S(=O)(=O)N3CCN(C(=O)COc4ccc(Cl)cc4)CC3)ccc21	ZINC000021358350	553709650	/nfs/dbraw/zinc/70/96/50/553709650.db2.gz	YMDNHMVLUCWLQH-UHFFFAOYSA-N	0	0	510.037	3.209	50	0		KGAARN
COc1ccc(C2(C(=O)N3CCN(S(=O)(=O)c4ccc5c(c4)sc(=O)n5C(C)C)CC3)CC2)cc1	ZINC000021358452	553709667	/nfs/dbraw/zinc/70/96/67/553709667.db2.gz	YQDUBCVTSKDFRX-UHFFFAOYSA-N	0	0	515.657	3.217	50	0		KGAARN
COc1ccccc1/C=C/C(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)sc(=O)n3C(C)C)CC1	ZINC000021358576	553709897	/nfs/dbraw/zinc/70/98/97/553709897.db2.gz	BVVJEROFIFVYTO-DHZHZOJOSA-N	0	0	501.630	3.199	50	0		KGAARN
O=c1[nH]c(CN2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)nc2sc3c(c21)CCCC3	ZINC000021486412	553709940	/nfs/dbraw/zinc/70/99/40/553709940.db2.gz	XUSGGABQGHGUMP-UHFFFAOYSA-N	0	0	512.579	3.389	50	0		KGAARN
O=C(Cn1nc2c3nc(N4CCCCCC4)sc3ncn2c1=O)Nc1ccc(Br)cc1	ZINC000021658370	553716066	/nfs/dbraw/zinc/71/60/66/553716066.db2.gz	ABFGRWHTRUOYNE-UHFFFAOYSA-N	0	0	502.398	3.282	50	0		KGAARN
CCc1nc(-c2csc(S(=O)(=O)N3CCC(C(=O)N4CCN(c5ccccc5)CC4)CC3)c2)no1	ZINC000021707840	553716230	/nfs/dbraw/zinc/71/62/30/553716230.db2.gz	WVZMIBOGLOXQOO-UHFFFAOYSA-N	0	0	515.661	3.110	50	0		KGAARN
CCc1nc(-c2csc(S(=O)(=O)N3CCC(C(=O)Nc4ccc5c(c4)OCCO5)CC3)c2)no1	ZINC000021707919	553716219	/nfs/dbraw/zinc/71/62/19/553716219.db2.gz	OJVTVVRSFOGXNL-UHFFFAOYSA-N	0	0	504.590	3.171	50	0		KGAARN
COc1ccccc1N1CCN(C(=O)Cn2c3ccccc3c3nc(-c4ccc(F)cc4)nn3c2=O)CC1	ZINC000021716213	553716238	/nfs/dbraw/zinc/71/62/38/553716238.db2.gz	SFJNIJUXXAQSHV-UHFFFAOYSA-N	0	0	512.545	3.208	50	0		KGAARN
O=C(Cn1c2ccccc2c2nc(-c3ccc(F)cc3)nn2c1=O)N1CCN(c2ccc(F)cc2)CC1	ZINC000021716215	553716222	/nfs/dbraw/zinc/71/62/22/553716222.db2.gz	MIUGPFGMMCWMFW-UHFFFAOYSA-N	0	0	500.509	3.338	50	0		KGAARN
O=C(Cn1c2ccccc2c2nc(-c3ccc(F)cc3)nn2c1=O)N1CCN(c2ccccc2F)CC1	ZINC000021716217	553716207	/nfs/dbraw/zinc/71/62/07/553716207.db2.gz	CNMSNSLQFXVTDY-UHFFFAOYSA-N	0	0	500.509	3.338	50	0		KGAARN
O=C(CN1CCN(Cc2ccc(F)cc2Cl)C1=O)NCCCN1CCN(c2ccccc2F)CC1	ZINC000021778146	553716540	/nfs/dbraw/zinc/71/65/40/553716540.db2.gz	UWTISNAGFBVQHF-UHFFFAOYSA-N	0	0	505.997	3.184	50	0		KGAARN
O=C(CSc1nc2c(c(=O)[nH]1)CN(Cc1ccc(F)cc1)CC2)N1CCN(c2ccc(F)cc2)CC1	ZINC000021810407	553717371	/nfs/dbraw/zinc/71/73/71/553717371.db2.gz	AHJQHAHYQLHCGA-UHFFFAOYSA-N	0	0	511.598	3.460	50	0		KGAARN
Cc1ccc(Cl)cc1N1CCN(CCNC(=O)COCc2cc(-c3ccc4c(c3)OCO4)on2)CC1	ZINC000021868269	553718880	/nfs/dbraw/zinc/71/88/80/553718880.db2.gz	YYKWKXYCHIYTPE-UHFFFAOYSA-N	0	0	512.994	3.487	50	0		KGAARN
COc1ccc(-c2noc(Cn3c(=O)c4ccccc4n(CC(=O)Nc4ccccc4F)c3=O)n2)cc1	ZINC000021873889	553718805	/nfs/dbraw/zinc/71/88/05/553718805.db2.gz	OJJLDFUGHAIEIF-UHFFFAOYSA-N	0	0	501.474	3.048	50	0		KGAARN
CCCCOc1ccc(CNC(=O)c2cc3n(n2)C[C@](C)(C(=O)NCc2ccccc2)N(C)C3=O)cc1	ZINC000021876385	553718785	/nfs/dbraw/zinc/71/87/85/553718785.db2.gz	NVEBQUNZXXIDSI-MUUNZHRXSA-N	0	0	503.603	3.153	50	0		KGAARN
CCCCOc1ccc(CNC(=O)c2cc3n(n2)C[C@@](C)(C(=O)NCc2ccccc2)N(C)C3=O)cc1	ZINC000021876388	553718903	/nfs/dbraw/zinc/71/89/03/553718903.db2.gz	NVEBQUNZXXIDSI-NDEPHWFRSA-N	0	0	503.603	3.153	50	0		KGAARN
CCCCOc1ccc(CNC(=O)c2cc3n(n2)C[C@](C)(C(=O)NCc2ccc(F)cc2)N(C)C3=O)cc1	ZINC000021876922	553719185	/nfs/dbraw/zinc/71/91/85/553719185.db2.gz	ZOEIMVCRWOPNHZ-MUUNZHRXSA-N	0	0	521.593	3.292	50	0		KGAARN
CCCCOc1ccc(CNC(=O)c2cc3n(n2)C[C@@](C)(C(=O)NCc2ccc(F)cc2)N(C)C3=O)cc1	ZINC000021876925	553719238	/nfs/dbraw/zinc/71/92/38/553719238.db2.gz	ZOEIMVCRWOPNHZ-NDEPHWFRSA-N	0	0	521.593	3.292	50	0		KGAARN
CSc1ccc(CCNC(=O)c2cc3n(n2)C[C@](C)(C(=O)NCc2ccc(C)cc2)N(C)C3=O)cc1	ZINC000021877241	553719399	/nfs/dbraw/zinc/71/93/99/553719399.db2.gz	XCKUGMMDRLXPMY-HHHXNRCGSA-N	0	0	505.644	3.047	50	0		KGAARN
CSc1ccc(CCNC(=O)c2cc3n(n2)C[C@@](C)(C(=O)NCc2ccc(C)cc2)N(C)C3=O)cc1	ZINC000021877244	553719422	/nfs/dbraw/zinc/71/94/22/553719422.db2.gz	XCKUGMMDRLXPMY-MHZLTWQESA-N	0	0	505.644	3.047	50	0		KGAARN
Cc1ccc(CNC(=O)[C@@]2(C)Cn3nc(C(=O)NCc4ccc(OC(C)C)cc4)cc3C(=O)N2C)cc1	ZINC000021877254	553719406	/nfs/dbraw/zinc/71/94/06/553719406.db2.gz	PQBUHXVTHUFWRC-MUUNZHRXSA-N	0	0	503.603	3.069	50	0		KGAARN
Cc1ccc(CNC(=O)[C@]2(C)Cn3nc(C(=O)NCc4ccc(OC(C)C)cc4)cc3C(=O)N2C)cc1	ZINC000021877257	553719342	/nfs/dbraw/zinc/71/93/42/553719342.db2.gz	PQBUHXVTHUFWRC-NDEPHWFRSA-N	0	0	503.603	3.069	50	0		KGAARN
CCCCOc1ccc(CNC(=O)c2cc3n(n2)C[C@](C)(C(=O)NCc2ccc(C)cc2)N(C)C3=O)cc1	ZINC000021877285	553719350	/nfs/dbraw/zinc/71/93/50/553719350.db2.gz	KJGQYUMBUMPWQM-GDLZYMKVSA-N	0	0	517.630	3.461	50	0		KGAARN
CCCCOc1ccc(CNC(=O)c2cc3n(n2)C[C@@](C)(C(=O)NCc2ccc(C)cc2)N(C)C3=O)cc1	ZINC000021877288	553719346	/nfs/dbraw/zinc/71/93/46/553719346.db2.gz	KJGQYUMBUMPWQM-LJAQVGFWSA-N	0	0	517.630	3.461	50	0		KGAARN
CCN1C(=O)c2cc(C(=O)N3CCN(c4cc(Cl)ccc4C)CC3)nn2C[C@@]1(C)C(=O)NC1CCCC1	ZINC000021877603	553719661	/nfs/dbraw/zinc/71/96/61/553719661.db2.gz	NQHAWMSITIXQBQ-MHZLTWQESA-N	0	0	527.069	3.101	50	0		KGAARN
CCN1C(=O)c2cc(C(=O)N3CCN(c4cc(Cl)ccc4C)CC3)nn2C[C@]1(C)C(=O)NC1CCCC1	ZINC000021877605	553719643	/nfs/dbraw/zinc/71/96/43/553719643.db2.gz	NQHAWMSITIXQBQ-HHHXNRCGSA-N	0	0	527.069	3.101	50	0		KGAARN
CCCCN1C(=O)c2cc(C(=O)Nc3cccc(C(=O)OCC)c3)nn2C[C@@]1(C)C(=O)NC1CCCC1	ZINC000021877915	553719665	/nfs/dbraw/zinc/71/96/65/553719665.db2.gz	GUTZPOJDCHNVDL-MHZLTWQESA-N	0	0	509.607	3.386	50	0		KGAARN
CCCCN1C(=O)c2cc(C(=O)Nc3cccc(C(=O)OCC)c3)nn2C[C@]1(C)C(=O)NC1CCCC1	ZINC000021877917	553719625	/nfs/dbraw/zinc/71/96/25/553719625.db2.gz	GUTZPOJDCHNVDL-HHHXNRCGSA-N	0	0	509.607	3.386	50	0		KGAARN
CCCCN1C(=O)c2cc(C(=O)NCCc3c[nH]c4ccccc34)nn2C[C@@]1(C)C(=O)NC1CCCC1	ZINC000021878033	553719708	/nfs/dbraw/zinc/71/97/08/553719708.db2.gz	PANAZQRTVYOXEC-NDEPHWFRSA-N	0	0	504.635	3.410	50	0		KGAARN
CCCCN1C(=O)c2cc(C(=O)NCCc3c[nH]c4ccccc34)nn2C[C@]1(C)C(=O)NC1CCCC1	ZINC000021878035	553719696	/nfs/dbraw/zinc/71/96/96/553719696.db2.gz	PANAZQRTVYOXEC-MUUNZHRXSA-N	0	0	504.635	3.410	50	0		KGAARN
CCCCN1C(=O)c2cc(C(=O)N3CCN(c4ccc(F)cc4)CC3)nn2C[C@@]1(C)C(=O)NC1CCCC1	ZINC000021878111	553719972	/nfs/dbraw/zinc/71/99/72/553719972.db2.gz	PQXOYMYAJQLEIY-NDEPHWFRSA-N	0	0	524.641	3.058	50	0		KGAARN
CCCCN1C(=O)c2cc(C(=O)N3CCN(c4ccc(F)cc4)CC3)nn2C[C@]1(C)C(=O)NC1CCCC1	ZINC000021878113	553719932	/nfs/dbraw/zinc/71/99/32/553719932.db2.gz	PQXOYMYAJQLEIY-MUUNZHRXSA-N	0	0	524.641	3.058	50	0		KGAARN
CCOC(=O)c1cc2n(n1)C[C@](C)(C(=O)NCc1ccccc1)N(CCc1ccc(OCC)cc1)C2=O	ZINC000021879243	553719982	/nfs/dbraw/zinc/71/99/82/553719982.db2.gz	FHQMFJJCCZPQAM-MUUNZHRXSA-N	0	0	504.587	3.232	50	0		KGAARN
CCOC(=O)c1cc2n(n1)C[C@@](C)(C(=O)NCc1ccccc1)N(CCc1ccc(OCC)cc1)C2=O	ZINC000021879245	553719918	/nfs/dbraw/zinc/71/99/18/553719918.db2.gz	FHQMFJJCCZPQAM-NDEPHWFRSA-N	0	0	504.587	3.232	50	0		KGAARN
CCOC(=O)c1cc2n(n1)C[C@](C)(C(=O)NCc1ccccc1OC)N(CCc1ccc(Cl)cc1)C2=O	ZINC000021879263	553719975	/nfs/dbraw/zinc/71/99/75/553719975.db2.gz	UJZUTVCVOJKLQW-HHHXNRCGSA-N	0	0	525.005	3.495	50	0		KGAARN
CCOC(=O)c1cc2n(n1)C[C@@](C)(C(=O)NCc1ccccc1OC)N(CCc1ccc(Cl)cc1)C2=O	ZINC000021879265	553719961	/nfs/dbraw/zinc/71/99/61/553719961.db2.gz	UJZUTVCVOJKLQW-MHZLTWQESA-N	0	0	525.005	3.495	50	0		KGAARN
CCOC(=O)c1cc2n(n1)C[C@](C)(C(=O)NCc1ccccc1OC)N(c1ccc(OCC)cc1)C2=O	ZINC000021879291	553720203	/nfs/dbraw/zinc/72/02/03/553720203.db2.gz	LKCNXDKWZTYZLM-HHHXNRCGSA-N	0	0	506.559	3.203	50	0		KGAARN
CCOC(=O)c1cc2n(n1)C[C@@](C)(C(=O)NCc1ccccc1OC)N(c1ccc(OCC)cc1)C2=O	ZINC000021879293	553720094	/nfs/dbraw/zinc/72/00/94/553720094.db2.gz	LKCNXDKWZTYZLM-MHZLTWQESA-N	0	0	506.559	3.203	50	0		KGAARN
CCOC(=O)c1cc2n(n1)C[C@](C)(C(=O)NCc1ccccc1OC)N(CCc1ccccc1Cl)C2=O	ZINC000021879330	553720218	/nfs/dbraw/zinc/72/02/18/553720218.db2.gz	UERJQCHENCACBP-HHHXNRCGSA-N	0	0	525.005	3.495	50	0		KGAARN
CCOC(=O)c1cc2n(n1)C[C@@](C)(C(=O)NCc1ccccc1OC)N(CCc1ccccc1Cl)C2=O	ZINC000021879332	553720183	/nfs/dbraw/zinc/72/01/83/553720183.db2.gz	UERJQCHENCACBP-MHZLTWQESA-N	0	0	525.005	3.495	50	0		KGAARN
CCOC(=O)c1cc2n(n1)C[C@](C)(C(=O)NCc1ccc(F)cc1)N(Cc1ccccc1OCC)C2=O	ZINC000021879578	553720226	/nfs/dbraw/zinc/72/02/26/553720226.db2.gz	WFKXDXYPNHYLKA-HHHXNRCGSA-N	0	0	508.550	3.329	50	0		KGAARN
CCOC(=O)c1cc2n(n1)C[C@@](C)(C(=O)NCc1ccc(F)cc1)N(Cc1ccccc1OCC)C2=O	ZINC000021879580	553720200	/nfs/dbraw/zinc/72/02/00/553720200.db2.gz	WFKXDXYPNHYLKA-MHZLTWQESA-N	0	0	508.550	3.329	50	0		KGAARN
CCOC(=O)c1cc2n(n1)C[C@](C)(C(=O)NCc1ccc(F)cc1)N(CCc1ccc(OCC)cc1)C2=O	ZINC000021879586	553720145	/nfs/dbraw/zinc/72/01/45/553720145.db2.gz	KSUKDGKTIADANA-MUUNZHRXSA-N	0	0	522.577	3.371	50	0		KGAARN
CCOC(=O)c1cc2n(n1)C[C@@](C)(C(=O)NCc1ccc(F)cc1)N(CCc1ccc(OCC)cc1)C2=O	ZINC000021879588	553720239	/nfs/dbraw/zinc/72/02/39/553720239.db2.gz	KSUKDGKTIADANA-NDEPHWFRSA-N	0	0	522.577	3.371	50	0		KGAARN
c1cc(CN2CCN(c3ccccn3)CC2)n(-c2nnc(N3CCN(Cc4ccccc4)CC3)s2)c1	ZINC000021880749	553720246	/nfs/dbraw/zinc/72/02/46/553720246.db2.gz	KDKJMDVPITUXBD-UHFFFAOYSA-N	0	0	500.676	3.368	50	0		KGAARN
CC(C)(C)[C@@H]1CCc2c(sc3nc(CCC(=O)NCCc4ccc(S(N)(=O)=O)cc4)[nH]c(=O)c23)C1	ZINC000021882634	553720477	/nfs/dbraw/zinc/72/04/77/553720477.db2.gz	NJAFWGUPKHTOEA-MRXNPFEDSA-N	0	0	516.689	3.075	50	0		KGAARN
CC(C)(C)[C@H]1CCc2c(sc3nc(CCC(=O)NCCc4ccc(S(N)(=O)=O)cc4)[nH]c(=O)c23)C1	ZINC000021882635	553720437	/nfs/dbraw/zinc/72/04/37/553720437.db2.gz	NJAFWGUPKHTOEA-INIZCTEOSA-N	0	0	516.689	3.075	50	0		KGAARN
COc1ccc(CNC(=O)[C@@H]2CCCN(S(=O)(=O)c3cc(-c4noc(C)n4)ccc3Cl)C2)cc1	ZINC000021882829	553720475	/nfs/dbraw/zinc/72/04/75/553720475.db2.gz	VGFIWVGOFKREGT-GOSISDBHSA-N	0	0	504.996	3.424	50	0		KGAARN
COc1ccc(CNC(=O)[C@H]2CCCN(S(=O)(=O)c3cc(-c4noc(C)n4)ccc3Cl)C2)cc1	ZINC000021882830	553720435	/nfs/dbraw/zinc/72/04/35/553720435.db2.gz	VGFIWVGOFKREGT-SFHVURJKSA-N	0	0	504.996	3.424	50	0		KGAARN
Cc1nc(-c2ccc(Cl)c(S(=O)(=O)N3CCC[C@@H](C(=O)NCc4ccc5c(c4)OCO5)C3)c2)no1	ZINC000021882833	553720490	/nfs/dbraw/zinc/72/04/90/553720490.db2.gz	QPZGJRGBQGCCMF-QGZVFWFLSA-N	0	0	518.979	3.144	50	0		KGAARN
Cc1nc(-c2ccc(Cl)c(S(=O)(=O)N3CCC[C@H](C(=O)NCc4ccc5c(c4)OCO5)C3)c2)no1	ZINC000021882834	553720406	/nfs/dbraw/zinc/72/04/06/553720406.db2.gz	QPZGJRGBQGCCMF-KRWDZBQOSA-N	0	0	518.979	3.144	50	0		KGAARN
COc1ccccc1CNC(=O)[C@@H]1CCCN(S(=O)(=O)c2cc(-c3noc(C)n3)ccc2Cl)C1	ZINC000021882839	553720484	/nfs/dbraw/zinc/72/04/84/553720484.db2.gz	PGZJQQKXVOEOHP-GOSISDBHSA-N	0	0	504.996	3.424	50	0		KGAARN
COc1ccccc1CNC(=O)[C@H]1CCCN(S(=O)(=O)c2cc(-c3noc(C)n3)ccc2Cl)C1	ZINC000021882840	553720412	/nfs/dbraw/zinc/72/04/12/553720412.db2.gz	PGZJQQKXVOEOHP-SFHVURJKSA-N	0	0	504.996	3.424	50	0		KGAARN
COc1cccc(CNC(=O)[C@@H]2CCCN(S(=O)(=O)c3cc(-c4noc(C)n4)ccc3Cl)C2)c1	ZINC000021882841	553720463	/nfs/dbraw/zinc/72/04/63/553720463.db2.gz	HUPFMNNKGBCXSC-GOSISDBHSA-N	0	0	504.996	3.424	50	0		KGAARN
COc1cccc(CNC(=O)[C@H]2CCCN(S(=O)(=O)c3cc(-c4noc(C)n4)ccc3Cl)C2)c1	ZINC000021882842	553720729	/nfs/dbraw/zinc/72/07/29/553720729.db2.gz	HUPFMNNKGBCXSC-SFHVURJKSA-N	0	0	504.996	3.424	50	0		KGAARN
Cc1nc(-c2ccc(Cl)c(S(=O)(=O)N3CCC[C@@H](C(=O)Nc4ccc5c(c4)OCO5)C3)c2)no1	ZINC000021882843	553720716	/nfs/dbraw/zinc/72/07/16/553720716.db2.gz	XHWBJKFKWFVETO-OAHLLOKOSA-N	0	0	504.952	3.467	50	0		KGAARN
Cc1nc(-c2ccc(Cl)c(S(=O)(=O)N3CCC[C@H](C(=O)Nc4ccc5c(c4)OCO5)C3)c2)no1	ZINC000021882844	553720806	/nfs/dbraw/zinc/72/08/06/553720806.db2.gz	XHWBJKFKWFVETO-HNNXBMFYSA-N	0	0	504.952	3.467	50	0		KGAARN
Cc1nc(-c2cc(S(=O)(=O)N3CCC(C(=O)NCCc4nc5ccccc5[nH]4)CC3)c(C)s2)no1	ZINC000021886806	553721056	/nfs/dbraw/zinc/72/10/56/553721056.db2.gz	BAAUVQVWWLAGBR-UHFFFAOYSA-N	0	0	514.633	3.051	50	0		KGAARN
Cc1nc(-c2cc(S(=O)(=O)N3CCC[C@@H](C(=O)NCCc4nc5ccccc5[nH]4)C3)c(C)s2)no1	ZINC000021886837	553721001	/nfs/dbraw/zinc/72/10/01/553721001.db2.gz	DEDFWWWADWTKOF-MRXNPFEDSA-N	0	0	514.633	3.051	50	0		KGAARN
Cc1nc(-c2cc(S(=O)(=O)N3CCC[C@H](C(=O)NCCc4nc5ccccc5[nH]4)C3)c(C)s2)no1	ZINC000021886839	553721041	/nfs/dbraw/zinc/72/10/41/553721041.db2.gz	DEDFWWWADWTKOF-INIZCTEOSA-N	0	0	514.633	3.051	50	0		KGAARN
COc1ccc(C2=C(C)C(=O)N(Cc3ccc(C(=O)NCCc4c(C)noc4C)cc3)S2(=O)=O)cc1	ZINC000021913532	553721587	/nfs/dbraw/zinc/72/15/87/553721587.db2.gz	QPDQLACKHDQMCZ-UHFFFAOYSA-N	0	0	509.584	3.376	50	0		KGAARN
CCCN1C(=O)c2c(C(=O)NCc3cccc(Br)c3)ncn2C[C@@]1(C)C(=O)NCCC(C)C	ZINC000021919324	553722305	/nfs/dbraw/zinc/72/23/05/553722305.db2.gz	XIYBTFHCMWZNAY-DEOSSOPVSA-N	0	0	518.456	3.362	50	0		KGAARN
CCCN1C(=O)c2c(C(=O)NCc3cccc(Br)c3)ncn2C[C@]1(C)C(=O)NCCC(C)C	ZINC000021919331	553722377	/nfs/dbraw/zinc/72/23/77/553722377.db2.gz	XIYBTFHCMWZNAY-XMMPIXPASA-N	0	0	518.456	3.362	50	0		KGAARN
Cc1ccc(-n2c(CN3CCN(S(=O)(=O)c4cccc5nsnc54)CC3)nc3cccnc32)cc1	ZINC000021925676	553722235	/nfs/dbraw/zinc/72/22/35/553722235.db2.gz	OBPHPKIIRKMDRY-UHFFFAOYSA-N	0	0	505.629	3.240	50	0		KGAARN
CCc1ccc(N2CN(CCN3CCOCC3)CN3C2=NC(=O)C[C@H]3C(=O)Nc2ccc(F)c(Cl)c2)cc1	ZINC000022027184	553722874	/nfs/dbraw/zinc/72/28/74/553722874.db2.gz	CSFRBFAVFJDMIH-DEOSSOPVSA-N	0	0	543.043	3.006	50	0		KGAARN
CCc1ccc(N2CN(CCN3CCOCC3)CN3C2=NC(=O)C[C@@H]3C(=O)Nc2ccc(F)c(Cl)c2)cc1	ZINC000022027185	553722863	/nfs/dbraw/zinc/72/28/63/553722863.db2.gz	CSFRBFAVFJDMIH-XMMPIXPASA-N	0	0	543.043	3.006	50	0		KGAARN
O=C(NCCCCCCNC(=O)c1ccc(CN2CCOCC2)cc1)c1ccc(CN2CCOCC2)cc1	ZINC000022064237	553725503	/nfs/dbraw/zinc/72/55/03/553725503.db2.gz	ACURDRQXKIRSTR-UHFFFAOYSA-N	0	0	522.690	3.071	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3c[nH]c4ccccc34)c(=O)n2[C@@H]1c1ccc(OC)cc1OC	ZINC000022107997	553726058	/nfs/dbraw/zinc/72/60/58/553726058.db2.gz	VAFSANMHPPZMGH-DKOMQPSQSA-N	0	0	503.580	3.297	50	0		KGAARN
O=C1C[C@@H](N2CCN(C/C=C\c3ccccc3)CC2)C(=O)N1c1ccc(I)cc1	ZINC000022135260	553727090	/nfs/dbraw/zinc/72/70/90/553727090.db2.gz	AHQIAXJKUVIOBN-ANIGNSTFSA-N	0	0	501.368	3.254	50	0		KGAARN
O=C(c1cncc(Br)c1)N1CCN(Cc2cc(=O)c(OCc3ccc(F)cc3)co2)CC1	ZINC000022656234	553748707	/nfs/dbraw/zinc/74/87/07/553748707.db2.gz	DKUJLLQDAKCGAN-UHFFFAOYSA-N	0	0	502.340	3.473	50	0		KGAARN
CSc1ccc(COc2coc(CN3CCN(C(=O)[C@@H]4COc5ccccc5O4)CC3)cc2=O)cc1	ZINC000022663235	553749204	/nfs/dbraw/zinc/74/92/04/553749204.db2.gz	IMVNXANUVGTCMX-SANMLTNESA-N	0	0	508.596	3.425	50	0		KGAARN
CSc1ccc(COc2coc(CN3CCN(C(=O)[C@H]4COc5ccccc5O4)CC3)cc2=O)cc1	ZINC000022663239	553749152	/nfs/dbraw/zinc/74/91/52/553749152.db2.gz	IMVNXANUVGTCMX-AREMUKBSSA-N	0	0	508.596	3.425	50	0		KGAARN
COc1ccc(NC(=O)C2CCN(C(=O)CNC(=O)Nc3c(F)c(F)c(F)c(F)c3F)CC2)cc1	ZINC000022667853	553749213	/nfs/dbraw/zinc/74/92/13/553749213.db2.gz	HUDSSTRPLIOLSC-UHFFFAOYSA-N	0	0	500.424	3.390	50	0		KGAARN
COCCOCC(=O)N1CCN(C[C@@H](OCc2ccc(C(=O)OC)cc2)c2ccc(Cl)cc2)CC1	ZINC000022668010	553749136	/nfs/dbraw/zinc/74/91/36/553749136.db2.gz	JNZYZCYPEVCQGQ-XMMPIXPASA-N	0	0	505.011	3.192	50	0		KGAARN
COCCOCC(=O)N1CCN(C[C@H](OCc2ccc(C(=O)OC)cc2)c2ccc(Cl)cc2)CC1	ZINC000022668013	553749187	/nfs/dbraw/zinc/74/91/87/553749187.db2.gz	JNZYZCYPEVCQGQ-DEOSSOPVSA-N	0	0	505.011	3.192	50	0		KGAARN
COc1cn(CC(=O)Nc2cccc3ccccc32)c(CN2CCN(C(=O)c3ccco3)CC2)cc1=O	ZINC000022698589	553749774	/nfs/dbraw/zinc/74/97/74/553749774.db2.gz	QFTGLYOMNVUAAU-UHFFFAOYSA-N	0	0	500.555	3.200	50	0		KGAARN
Cn1nc(C(F)(F)F)c(Br)c1C(=O)Nc1nc2ccccc2n1CCN1CCOCC1	ZINC000022823838	553751880	/nfs/dbraw/zinc/75/18/80/553751880.db2.gz	LDQKXUZMFIPGSA-UHFFFAOYSA-N	0	0	501.307	3.136	50	0		KGAARN
CCN(CC)S(=O)(=O)c1ccc(NC(=O)CN(c2cccc(Cl)c2Cl)S(C)(=O)=O)cc1	ZINC000022832601	553755841	/nfs/dbraw/zinc/75/58/41/553755841.db2.gz	ZDQCOEMNBBSIET-UHFFFAOYSA-N	0	0	508.449	3.429	50	0		KGAARN
Cn1cc(-c2cc(C(F)(F)F)nc(N3CCN(CC(=O)Nc4ccc(OC(F)F)cc4)CC3)n2)cn1	ZINC000022835425	553756775	/nfs/dbraw/zinc/75/67/75/553756775.db2.gz	ZQRMFTDRBUYRGU-UHFFFAOYSA-N	0	0	511.455	3.258	50	0		KGAARN
CCn1ncc(/C=c2/sc3n(c2=O)[C@H]2c4ccccc4O[C@@](C)(N=3)[C@H]2C(=O)Nc2ccccc2C)c1C	ZINC000022838146	553757504	/nfs/dbraw/zinc/75/75/04/553757504.db2.gz	BPOUFZVDYHXYGV-DFGUETCTSA-N	0	0	513.623	3.158	50	0		KGAARN
CCn1ccc(/C=c2/sc3n(c2=O)[C@H](c2ccc(OC)cc2)C(C(=O)Nc2ccccc2C)=C(C)N=3)n1	ZINC000022838156	553757480	/nfs/dbraw/zinc/75/74/80/553757480.db2.gz	DYWGDVUXNMCPOD-OWXSRONMSA-N	0	0	513.623	3.407	50	0		KGAARN
CCn1ccc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(OC)cc2)C(C(=O)Nc2ccccc2C)=C(C)N=3)n1	ZINC000022838160	553757566	/nfs/dbraw/zinc/75/75/66/553757566.db2.gz	DYWGDVUXNMCPOD-ZMIGGIFCSA-N	0	0	513.623	3.407	50	0		KGAARN
CCOC(=O)N1CCN(C(=O)CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(Cl)cc2)CC1	ZINC000022838635	553757839	/nfs/dbraw/zinc/75/78/39/553757839.db2.gz	AGHBEEQZTUUYLO-UHFFFAOYSA-N	0	0	514.431	3.485	50	0		KGAARN
COc1ccc(C(=O)C[C@]2(O)c3ccccc3N(CN3CCN(Cc4ccc5c(c4)OCO5)CC3)C2=O)cc1	ZINC000022852087	553761250	/nfs/dbraw/zinc/76/12/50/553761250.db2.gz	KRQTWKNEWHJLOD-PMERELPUSA-N	0	0	529.593	3.006	50	0		KGAARN
COc1ccc(C(=O)C[C@@]2(O)c3ccccc3N(CN3CCN(Cc4ccc5c(c4)OCO5)CC3)C2=O)cc1	ZINC000022852089	553761263	/nfs/dbraw/zinc/76/12/63/553761263.db2.gz	KRQTWKNEWHJLOD-SSEXGKCCSA-N	0	0	529.593	3.006	50	0		KGAARN
NC(=O)Cn1c(CN2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)nc2ccccc2c1=O	ZINC000022920217	553766887	/nfs/dbraw/zinc/76/68/87/553766887.db2.gz	CIIIAIQMEZJQIY-UHFFFAOYSA-N	0	0	503.553	3.067	50	0		KGAARN
O=C(CN1CCN(Cc2ccc3c(c2)OCO3)CC1)Nc1cc(C(F)(F)F)ccc1N1CCOCC1	ZINC000022926592	553767414	/nfs/dbraw/zinc/76/74/14/553767414.db2.gz	LCZPXZCLFIKHDX-UHFFFAOYSA-N	0	0	506.525	3.027	50	0		KGAARN
O=C1C[C@@H](N2CCN(C/C=C/c3ccccc3)CC2)C(=O)N1c1ccc(I)cc1	ZINC000022933043	553767799	/nfs/dbraw/zinc/76/77/99/553767799.db2.gz	AHQIAXJKUVIOBN-HXRGIAOBSA-N	0	0	501.368	3.254	50	0		KGAARN
CCOC(=O)c1[nH]c2ccc(OC)cc2c1NC(=O)[C@H](C)N1CCN(Cc2ccc3c(c2)OCO3)CC1	ZINC000022939150	553768398	/nfs/dbraw/zinc/76/83/98/553768398.db2.gz	MGXNUVQLUMCFLT-KRWDZBQOSA-N	0	0	508.575	3.227	50	0		KGAARN
O=S(=O)(c1ccc2oc(=S)n(CN3CCN(C/C=C/c4ccccc4)CC3)c2c1)N1CCOCC1	ZINC000022940030	553768357	/nfs/dbraw/zinc/76/83/57/553768357.db2.gz	JBRUHCBFQTUUAU-QPJJXVBHSA-N	0	0	514.673	3.273	50	0		KGAARN
O=C([C@@H]1CCCN1S(=O)(=O)c1cccs1)N(CCCN1CCOCC1)c1nc2ccccc2s1	ZINC000022997304	553768661	/nfs/dbraw/zinc/76/86/61/553768661.db2.gz	RYVJZTRHZRAABA-IBGZPJMESA-N	0	0	520.702	3.266	50	0		KGAARN
O=C([C@H]1CCCN1S(=O)(=O)c1cccs1)N(CCCN1CCOCC1)c1nc2ccccc2s1	ZINC000022997307	553768711	/nfs/dbraw/zinc/76/87/11/553768711.db2.gz	RYVJZTRHZRAABA-LJQANCHMSA-N	0	0	520.702	3.266	50	0		KGAARN
O=C(CS(=O)(=O)c1ccc(F)cc1)N(CCCN1CCOCC1)c1nc2c(cc(F)cc2F)s1	ZINC000022997792	553768708	/nfs/dbraw/zinc/76/87/08/553768708.db2.gz	NMCFZDAFIBXGQY-UHFFFAOYSA-N	0	0	513.563	3.243	50	0		KGAARN
O=C(Nc1cccc(S(=O)(=O)NC2=NCCC2)c1)c1nn(Cc2ccccc2)c(=O)c2ccccc21	ZINC000023054843	553769128	/nfs/dbraw/zinc/76/91/28/553769128.db2.gz	GAXPWETXUBUTKR-UHFFFAOYSA-N	0	0	501.568	3.168	50	0		KGAARN
COc1ccc(NC(=O)CN(C)C(=O)C2CCC(C(=O)N(C)CC(=O)Nc3ccc(OC)cc3)CC2)cc1	ZINC000023074816	553769317	/nfs/dbraw/zinc/76/93/17/553769317.db2.gz	CIXKJPXKXHQZHX-UHFFFAOYSA-N	0	0	524.618	3.004	50	0		KGAARN
Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(S(=O)(=O)N4CCCC4)cc3)CC2)cc1C	ZINC000023077392	553769432	/nfs/dbraw/zinc/76/94/32/553769432.db2.gz	UTGVSCZPSCXPQQ-UHFFFAOYSA-N	0	0	505.662	3.127	50	0		KGAARN
COCCCN(C(=O)CCOc1ccc(C(C)(C)C)cc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	ZINC000023078024	553769598	/nfs/dbraw/zinc/76/95/98/553769598.db2.gz	QZQGVKRTXOIMOR-UHFFFAOYSA-N	0	0	508.619	3.303	50	0		KGAARN
CCCCn1c(N)c(N(CC(C)C)C(=O)C2CCN(C(=O)c3ccc(Cl)cc3)CC2)c(=O)[nH]c1=O	ZINC000023078081	553769631	/nfs/dbraw/zinc/76/96/31/553769631.db2.gz	FPXXNZJNWBZAOO-UHFFFAOYSA-N	0	0	504.031	3.114	50	0		KGAARN
Cc1ccc(S(=O)(=O)N2CCN(C(=O)COC(=O)CCOc3ccc(C(C)(C)C)cc3)CC2)cc1	ZINC000023078385	553769549	/nfs/dbraw/zinc/76/95/49/553769549.db2.gz	GBRZBDCRWOFVFT-UHFFFAOYSA-N	0	0	502.633	3.138	50	0		KGAARN
O=C(CCc1nc2ccccc2c(=O)[nH]1)NCCN1C(=O)SC(=Cc2ccc(OC(F)F)cc2)C1=O	ZINC000023078391	553769637	/nfs/dbraw/zinc/76/96/37/553769637.db2.gz	PMKHKZHRUPQDCN-AQTBWJFISA-N	0	0	514.510	3.310	50	0		KGAARN
CCCCn1c(N)c(N(CCOC)C(=O)c2cc(-c3ccc(OC)cc3)nc3ccccc32)c(=O)[nH]c1=O	ZINC000023078461	553769642	/nfs/dbraw/zinc/76/96/42/553769642.db2.gz	YAJFJFWXSDNNMY-UHFFFAOYSA-N	0	0	517.586	3.436	50	0		KGAARN
COc1cccc(COC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2N2CCOCC2)c1OC	ZINC000023078554	553769663	/nfs/dbraw/zinc/76/96/63/553769663.db2.gz	IKSOVYORRZWSHZ-UHFFFAOYSA-N	0	0	504.605	3.072	50	0		KGAARN
CC(C)CN(C(=O)COC(=O)c1cccc2ccccc21)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	ZINC000023078621	553769653	/nfs/dbraw/zinc/76/96/53/553769653.db2.gz	GDHUHFCDPIBKOA-UHFFFAOYSA-N	0	0	500.555	3.166	50	0		KGAARN
Cc1cccc(NC(=O)CSCC(=O)N(CCC(C)C)c2c(N)n(Cc3ccccc3)c(=O)[nH]c2=O)c1	ZINC000023078952	553769832	/nfs/dbraw/zinc/76/98/32/553769832.db2.gz	PFMMYGWEQNYZBZ-UHFFFAOYSA-N	0	0	523.659	3.227	50	0		KGAARN
COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CCNC(=O)c1ccc(Br)cc1	ZINC000023078998	553769855	/nfs/dbraw/zinc/76/98/55/553769855.db2.gz	NHJRQKVLGLHVGS-UHFFFAOYSA-N	0	0	524.437	3.391	50	0		KGAARN
CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)C(=O)c1ccc2c(c1)S(=O)(=O)N=C1CCCCCN21	ZINC000023079190	553769874	/nfs/dbraw/zinc/76/98/74/553769874.db2.gz	XNZAJSYJQCIRJV-UHFFFAOYSA-N	0	0	511.604	3.227	50	0		KGAARN
CCCCn1c(N)c(N(CC(C)C)C(=O)c2ccc(N3C(=O)c4ccccc4C3=O)cc2)c(=O)[nH]c1=O	ZINC000023079884	553770230	/nfs/dbraw/zinc/77/02/30/553770230.db2.gz	JLONVRDGCLDRBQ-UHFFFAOYSA-N	0	0	503.559	3.022	50	0		KGAARN
CCOc1ccc2[nH]c(SCC(=O)N(CC(C)C)c3c(N)n(Cc4ccccc4)c(=O)[nH]c3=O)nc2c1	ZINC000023080001	553770209	/nfs/dbraw/zinc/77/02/09/553770209.db2.gz	MJOMUBQLEBKIFW-UHFFFAOYSA-N	0	0	522.631	3.223	50	0		KGAARN
C/C=C/c1ccc(OCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCCC2)c(OC)c1	ZINC000023080069	553770197	/nfs/dbraw/zinc/77/01/97/553770197.db2.gz	NVVBLOBQTNWYFU-ZZXKWVIFSA-N	0	0	515.632	3.367	50	0		KGAARN
Cc1ccc(SCC(=O)OCC(=O)N(CC(C)C)c2c(N)n(Cc3ccccc3)c(=O)[nH]c2=O)c(C)c1	ZINC000023080085	553770416	/nfs/dbraw/zinc/77/04/16/553770416.db2.gz	SGROBWRZMFVMPQ-UHFFFAOYSA-N	0	0	524.643	3.108	50	0		KGAARN
CCCCn1c(N)c(N(CC(C)C)C(=O)[C@@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)c(=O)[nH]c1=O	ZINC000023080168	553770454	/nfs/dbraw/zinc/77/04/54/553770454.db2.gz	GTXHDGHZDRMGKA-GOSISDBHSA-N	0	0	504.031	3.114	50	0		KGAARN
CCCCn1c(N)c(N(CC(C)C)C(=O)[C@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)c(=O)[nH]c1=O	ZINC000023080170	553770447	/nfs/dbraw/zinc/77/04/47/553770447.db2.gz	GTXHDGHZDRMGKA-SFHVURJKSA-N	0	0	504.031	3.114	50	0		KGAARN
NC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)sc2c1CCN(Cc1ccccc1)C2	ZINC000023153906	553771007	/nfs/dbraw/zinc/77/10/07/553771007.db2.gz	DORBRHXXWRKPNC-UHFFFAOYSA-N	0	0	524.668	3.442	50	0		KGAARN
CNC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)sc2c1CCN(Cc1ccccc1)C2	ZINC000023153929	553771071	/nfs/dbraw/zinc/77/10/71/553771071.db2.gz	ITKFRVVZTXBYAI-UHFFFAOYSA-N	0	0	512.657	3.169	50	0		KGAARN
C[C@@H](NC(=O)C(=O)NCc1ccc2c(c1)OCO2)[C@H](c1cccs1)N1CCN(Cc2ccccc2)CC1	ZINC000023181181	553771307	/nfs/dbraw/zinc/77/13/07/553771307.db2.gz	PXNZWAOFDMXIKA-FQRUVTKNSA-N	0	0	520.655	3.157	50	0		KGAARN
C[C@H](NC(=O)C(=O)NCc1ccc2c(c1)OCO2)[C@H](c1cccs1)N1CCN(Cc2ccccc2)CC1	ZINC000023181184	553771356	/nfs/dbraw/zinc/77/13/56/553771356.db2.gz	PXNZWAOFDMXIKA-RXFWQSSRSA-N	0	0	520.655	3.157	50	0		KGAARN
COc1ccccc1CNC(=O)C(=O)N[C@@H](C)[C@H](c1cccs1)N1CCN(Cc2ccccc2)CC1	ZINC000023181206	553771368	/nfs/dbraw/zinc/77/13/68/553771368.db2.gz	HVFGEOQYDHYKLU-HFZDXXHNSA-N	0	0	506.672	3.437	50	0		KGAARN
COc1ccccc1CNC(=O)C(=O)N[C@H](C)[C@H](c1cccs1)N1CCN(Cc2ccccc2)CC1	ZINC000023181210	553771396	/nfs/dbraw/zinc/77/13/96/553771396.db2.gz	HVFGEOQYDHYKLU-QFQXNSOFSA-N	0	0	506.672	3.437	50	0		KGAARN
COc1ccccc1CNC(=O)C(=O)N[C@H](C)[C@@H](c1cccs1)N1CCN(Cc2ccccc2)CC1	ZINC000023181215	553771323	/nfs/dbraw/zinc/77/13/23/553771323.db2.gz	HVFGEOQYDHYKLU-RLWLMLJZSA-N	0	0	506.672	3.437	50	0		KGAARN
CCOC(=O)c1cc(CSc2nc3ccccc3c(=O)n2CCN2CCOCC2)c2c(c1)COCO2	ZINC000023212050	553771341	/nfs/dbraw/zinc/77/13/41/553771341.db2.gz	ZTXAUPREUMDUPL-UHFFFAOYSA-N	0	0	511.600	3.064	50	0		KGAARN
CCOC(=O)N1CCC(NC(=O)CN2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)CC1	ZINC000023247938	553771666	/nfs/dbraw/zinc/77/16/66/553771666.db2.gz	QXJAOBNCPACEDI-UHFFFAOYSA-N	0	0	500.590	3.409	50	0		KGAARN
COC(=O)CCCC(=O)N1CCN(C[C@@H](OCc2ccc(C(=O)OC)cc2)c2cccc(OC)c2)CC1	ZINC000023303977	553772025	/nfs/dbraw/zinc/77/20/25/553772025.db2.gz	FFAZZLLMXMKVSM-RUZDIDTESA-N	0	0	512.603	3.227	50	0		KGAARN
COC(=O)CCCC(=O)N1CCN(C[C@H](OCc2ccc(C(=O)OC)cc2)c2cccc(OC)c2)CC1	ZINC000023303979	553771987	/nfs/dbraw/zinc/77/19/87/553771987.db2.gz	FFAZZLLMXMKVSM-VWLOTQADSA-N	0	0	512.603	3.227	50	0		KGAARN
COc1ccc(CCNC(=O)c2cccnc2N2CCN(C(=O)NCC3CCCCC3)CC2)cc1OC	ZINC000023304053	553771940	/nfs/dbraw/zinc/77/19/40/553771940.db2.gz	CZONCVQNDJRADR-UHFFFAOYSA-N	0	0	509.651	3.483	50	0		KGAARN
CCOC(=O)CCC(=O)N1CCN(C[C@@H](OCc2ccc(C(=O)OC)cc2)c2cccc(OC)c2)CC1	ZINC000023304444	553772019	/nfs/dbraw/zinc/77/20/19/553772019.db2.gz	VOJQETQMTWCANL-RUZDIDTESA-N	0	0	512.603	3.227	50	0		KGAARN
CCOC(=O)CCC(=O)N1CCN(C[C@H](OCc2ccc(C(=O)OC)cc2)c2cccc(OC)c2)CC1	ZINC000023304446	553771977	/nfs/dbraw/zinc/77/19/77/553771977.db2.gz	VOJQETQMTWCANL-VWLOTQADSA-N	0	0	512.603	3.227	50	0		KGAARN
CC(=O)Nc1ccc(S(=O)(=O)N2CCN(Cc3cc(=O)c(OCc4cc(C)cc(C)c4)co3)CC2)cc1	ZINC000023315445	553772479	/nfs/dbraw/zinc/77/24/79/553772479.db2.gz	ALYUMDZDXRDDQQ-UHFFFAOYSA-N	0	0	525.627	3.301	50	0		KGAARN
COc1ccc(S(=O)(=O)N2CCC[C@@H](C)C2)cc1N1CCN(C(=O)[C@@H](C)Oc2ccccc2)CC1	ZINC000023318334	553772562	/nfs/dbraw/zinc/77/25/62/553772562.db2.gz	LPHPMDNYKCMSIX-NHCUHLMSSA-N	0	0	501.649	3.232	50	0		KGAARN
COc1ccc(S(=O)(=O)N2CCC[C@H](C)C2)cc1N1CCN(C(=O)[C@@H](C)Oc2ccccc2)CC1	ZINC000023318337	553772580	/nfs/dbraw/zinc/77/25/80/553772580.db2.gz	LPHPMDNYKCMSIX-LEWJYISDSA-N	0	0	501.649	3.232	50	0		KGAARN
CCCN(CC1CC1)C(=O)C(=O)c1cn(CC(=O)OCC)c2ccc(NC(=O)CCCC(=O)OC)cc12	ZINC000023319321	553772852	/nfs/dbraw/zinc/77/28/52/553772852.db2.gz	OTTPQULNLVJAHP-UHFFFAOYSA-N	0	0	513.591	3.318	50	0		KGAARN
COc1ccc(S(=O)(=O)N2CCN(Cc3cc(=O)c(OCc4cc(C)cc(C)c4)co3)CC2)cc1OC	ZINC000023319347	553772864	/nfs/dbraw/zinc/77/28/64/553772864.db2.gz	FDBBCLMHQZIBJB-UHFFFAOYSA-N	0	0	528.627	3.359	50	0		KGAARN
COC(=O)c1ccccc1S(=O)(=O)N1CCN(Cc2cc(=O)c(OCc3cc(C)cc(C)c3)co2)CC1	ZINC000023321732	553772844	/nfs/dbraw/zinc/77/28/44/553772844.db2.gz	ZAJWJHMCUJSCAA-UHFFFAOYSA-N	0	0	526.611	3.129	50	0		KGAARN
CCOC(=O)c1nc2cc(Cl)c(Cl)cc2nc1N1CCN(C(=O)C2CCN(C(C)=O)CC2)CC1	ZINC000023324027	553773050	/nfs/dbraw/zinc/77/30/50/553773050.db2.gz	VDFODUKQBWEEJJ-UHFFFAOYSA-N	0	0	508.406	3.020	50	0		KGAARN
COc1ccc(S(=O)(=O)N(C)CCc2ccccc2)cc1N1CCN(C(=O)C(F)(F)C(F)F)CC1	ZINC000023324419	553773117	/nfs/dbraw/zinc/77/31/17/553773117.db2.gz	FJMRCKXHLKVWQV-UHFFFAOYSA-N	0	0	517.545	3.107	50	0		KGAARN
COc1ccc(CCN(C)S(=O)(=O)c2ccc(OC)c(N3CCN(C(=O)CC(C)C)CC3)c2)cc1OC	ZINC000023334148	553773616	/nfs/dbraw/zinc/77/36/16/553773616.db2.gz	SICBRYFXIKUACL-UHFFFAOYSA-N	0	0	533.691	3.270	50	0		KGAARN
CC[C@@H](C)C(=O)N1CCN(c2cc(S(=O)(=O)N(C)CCc3ccc(OC)c(OC)c3)ccc2OC)CC1	ZINC000023334575	553773614	/nfs/dbraw/zinc/77/36/14/553773614.db2.gz	PAHNHCMYXYWKHA-HXUWFJFHSA-N	0	0	533.691	3.270	50	0		KGAARN
CC[C@H](C)C(=O)N1CCN(c2cc(S(=O)(=O)N(C)CCc3ccc(OC)c(OC)c3)ccc2OC)CC1	ZINC000023334576	553773609	/nfs/dbraw/zinc/77/36/09/553773609.db2.gz	PAHNHCMYXYWKHA-FQEVSTJZSA-N	0	0	533.691	3.270	50	0		KGAARN
COc1ccc(CCN(C)S(=O)(=O)c2ccc(OC)c(N3CCN(C(=O)C=C(C)C)CC3)c2)cc1OC	ZINC000023334760	553773590	/nfs/dbraw/zinc/77/35/90/553773590.db2.gz	CZAWRHYOCBGBHU-UHFFFAOYSA-N	0	0	531.675	3.190	50	0		KGAARN
COc1cc(OC)cc(C(=O)N2CCN(c3cc(S(=O)(=O)N4CCC[C@@H](C)C4)ccc3OC)CC2)c1	ZINC000023334822	553773588	/nfs/dbraw/zinc/77/35/88/553773588.db2.gz	OBTJDOSHJUXYLA-LJQANCHMSA-N	0	0	517.648	3.095	50	0		KGAARN
COc1cc(OC)cc(C(=O)N2CCN(c3cc(S(=O)(=O)N4CCC[C@H](C)C4)ccc3OC)CC2)c1	ZINC000023334823	553773581	/nfs/dbraw/zinc/77/35/81/553773581.db2.gz	OBTJDOSHJUXYLA-IBGZPJMESA-N	0	0	517.648	3.095	50	0		KGAARN
COc1ccc(C(=O)N2CCN(c3cc(S(=O)(=O)N4CCC[C@@H](C)C4)ccc3OC)CC2)c(OC)c1	ZINC000023334935	553773799	/nfs/dbraw/zinc/77/37/99/553773799.db2.gz	SIXIEPHPFYZWEE-LJQANCHMSA-N	0	0	517.648	3.095	50	0		KGAARN
COc1ccc(C(=O)N2CCN(c3cc(S(=O)(=O)N4CCC[C@H](C)C4)ccc3OC)CC2)c(OC)c1	ZINC000023334936	553773867	/nfs/dbraw/zinc/77/38/67/553773867.db2.gz	SIXIEPHPFYZWEE-IBGZPJMESA-N	0	0	517.648	3.095	50	0		KGAARN
C/C=C(\C)C(=O)N1CCN(c2cc(S(=O)(=O)N(C)CCc3ccc(OC)c(OC)c3)ccc2OC)CC1	ZINC000023334948	553773810	/nfs/dbraw/zinc/77/38/10/553773810.db2.gz	AFJALFJJAHWZFN-IFRROFPPSA-N	0	0	531.675	3.190	50	0		KGAARN
COc1ccc(CCN(C)S(=O)(=O)c2ccc(OC)c(N3CCN(C(=O)C4CCC4)CC3)c2)cc1OC	ZINC000023334975	553773780	/nfs/dbraw/zinc/77/37/80/553773780.db2.gz	ODIKZIVSIIJJKQ-UHFFFAOYSA-N	0	0	531.675	3.024	50	0		KGAARN
COc1ccc(S(=O)(=O)N2CCC[C@@H](C)C2)cc1N1CCN(C(=O)[C@@H](OC(C)=O)c2ccccc2)CC1	ZINC000023335568	553773830	/nfs/dbraw/zinc/77/38/30/553773830.db2.gz	GIXRUZUNMCDSBN-IBVKSMDESA-N	0	0	529.659	3.069	50	0		KGAARN
COc1ccc(S(=O)(=O)N2CCC[C@H](C)C2)cc1N1CCN(C(=O)[C@@H](OC(C)=O)c2ccccc2)CC1	ZINC000023335569	553773825	/nfs/dbraw/zinc/77/38/25/553773825.db2.gz	GIXRUZUNMCDSBN-FNZWTVRRSA-N	0	0	529.659	3.069	50	0		KGAARN
COc1ccc(S(=O)(=O)N2CCC[C@@H](C)C2)cc1N1CCN(C(=O)c2c(OC)cccc2OC)CC1	ZINC000023335605	553773813	/nfs/dbraw/zinc/77/38/13/553773813.db2.gz	GEJXMBVCQWTREG-LJQANCHMSA-N	0	0	517.648	3.095	50	0		KGAARN
COc1ccc(S(=O)(=O)N2CCC[C@H](C)C2)cc1N1CCN(C(=O)c2c(OC)cccc2OC)CC1	ZINC000023335606	553773864	/nfs/dbraw/zinc/77/38/64/553773864.db2.gz	GEJXMBVCQWTREG-IBGZPJMESA-N	0	0	517.648	3.095	50	0		KGAARN
CCN(CC)S(=O)(=O)c1ccc(OC)c(N2CCN(S(=O)(=O)c3ccc(C(C)C)cc3)CC2)c1	ZINC000023335917	553774143	/nfs/dbraw/zinc/77/41/43/553774143.db2.gz	NPCQZYNYXVCHKY-UHFFFAOYSA-N	0	0	509.694	3.360	50	0		KGAARN
COc1ccc(CCNC(=O)N2CCN(c3ncccc3C(=O)NCc3ccc(OC)cc3)CC2)cc1	ZINC000023424400	553774817	/nfs/dbraw/zinc/77/48/17/553774817.db2.gz	HYCZJZPQRCTQCC-UHFFFAOYSA-N	0	0	503.603	3.103	50	0	biogenic	KGAARN
O=C(NCc1ccc2c(c1)OCO2)c1cccnc1N1CCN(C(=O)NCCCc2ccccc2)CC1	ZINC000023425795	553775144	/nfs/dbraw/zinc/77/51/44/553775144.db2.gz	QSLWJLWTDJTKGQ-UHFFFAOYSA-N	0	0	501.587	3.205	50	0		KGAARN
COc1ccc(CCNC(=O)c2cccnc2N2CCN(C(=O)CCc3ccccc3)CC2)cc1OC	ZINC000023426136	553775163	/nfs/dbraw/zinc/77/51/63/553775163.db2.gz	DWUVLNCTCQDVKJ-UHFFFAOYSA-N	0	0	502.615	3.353	50	0		KGAARN
O=C(CCCOc1ccccc1)N1CCN(c2ncccc2C(=O)NCc2ccc3c(c2)OCO3)CC1	ZINC000023426741	553775051	/nfs/dbraw/zinc/77/50/51/553775051.db2.gz	QAGSAJCVTCNUDY-UHFFFAOYSA-N	0	0	502.571	3.248	50	0		KGAARN
CCN(CC)S(=O)(=O)c1ccc(OC)c(N2CCN(S(=O)(=O)c3c(C)cc(C)cc3C)CC2)c1	ZINC000023427060	553775086	/nfs/dbraw/zinc/77/50/86/553775086.db2.gz	UAAGIFLZDWBDMT-UHFFFAOYSA-N	0	0	509.694	3.162	50	0		KGAARN
COc1cccc(CNC(=O)C2CCN(C(=O)[C@@H](Cc3ccccc3)NC(=O)COc3ccccc3)CC2)c1	ZINC000023427924	553775306	/nfs/dbraw/zinc/77/53/06/553775306.db2.gz	IRPBACRAKMGYDO-MUUNZHRXSA-N	0	0	529.637	3.357	50	0		KGAARN
CC(=O)N[C@H](Cc1ccccc1F)C(=O)N1CCN(Cc2ccc(-c3noc(CC(C)C)n3)cc2)CC1	ZINC000023428254	553775325	/nfs/dbraw/zinc/77/53/25/553775325.db2.gz	RVIOXVXZKUJESC-RUZDIDTESA-N	0	0	507.610	3.466	50	0		KGAARN
CC(=O)N[C@@H](Cc1ccccc1F)C(=O)N1CCN(Cc2ccc(-c3noc(CC(C)C)n3)cc2)CC1	ZINC000023428257	553775364	/nfs/dbraw/zinc/77/53/64/553775364.db2.gz	RVIOXVXZKUJESC-VWLOTQADSA-N	0	0	507.610	3.466	50	0		KGAARN
CCc1ccc(S(=O)(=O)N2CCN(c3cc(S(=O)(=O)N4CCC[C@@H](C)C4)ccc3OC)CC2)cc1	ZINC000023429704	553775670	/nfs/dbraw/zinc/77/56/70/553775670.db2.gz	KNZRMZDYWPJPIK-HXUWFJFHSA-N	0	0	521.705	3.189	50	0		KGAARN
CCc1ccc(S(=O)(=O)N2CCN(c3cc(S(=O)(=O)N4CCC[C@H](C)C4)ccc3OC)CC2)cc1	ZINC000023429709	553775616	/nfs/dbraw/zinc/77/56/16/553775616.db2.gz	KNZRMZDYWPJPIK-FQEVSTJZSA-N	0	0	521.705	3.189	50	0		KGAARN
COc1ccc(S(=O)(=O)N2CCc3cc(OC)c(OC)cc3C2)cc1N1CCN(C(=O)CC(C)C)CC1	ZINC000023432772	553775873	/nfs/dbraw/zinc/77/58/73/553775873.db2.gz	GKZSRQUBGQWFRM-UHFFFAOYSA-N	0	0	531.675	3.154	50	0		KGAARN
CC[C@@H](C)C(=O)N1CCN(c2cc(S(=O)(=O)N3CCc4cc(OC)c(OC)cc4C3)ccc2OC)CC1	ZINC000023433403	553776171	/nfs/dbraw/zinc/77/61/71/553776171.db2.gz	CCNLZBSQXPJQCJ-LJQANCHMSA-N	0	0	531.675	3.154	50	0		KGAARN
CC[C@H](C)C(=O)N1CCN(c2cc(S(=O)(=O)N3CCc4cc(OC)c(OC)cc4C3)ccc2OC)CC1	ZINC000023433406	553776131	/nfs/dbraw/zinc/77/61/31/553776131.db2.gz	CCNLZBSQXPJQCJ-IBGZPJMESA-N	0	0	531.675	3.154	50	0		KGAARN
COc1ccc(S(=O)(=O)N2CCc3cc(OC)c(OC)cc3C2)cc1N1CCN(C(=O)C=C(C)C)CC1	ZINC000023433843	553776137	/nfs/dbraw/zinc/77/61/37/553776137.db2.gz	ZEEHDLBGICTERR-UHFFFAOYSA-N	0	0	529.659	3.074	50	0		KGAARN
C/C=C(\C)C(=O)N1CCN(c2cc(S(=O)(=O)N3CCc4cc(OC)c(OC)cc4C3)ccc2OC)CC1	ZINC000023434554	553776490	/nfs/dbraw/zinc/77/64/90/553776490.db2.gz	FLKRWOVGXZFWKG-KPSZGOFPSA-N	0	0	529.659	3.074	50	0		KGAARN
COc1ccc(S(=O)(=O)N2CCC[C@@H](C)C2)cc1N1CCN(S(=O)(=O)c2ccccc2Cl)CC1	ZINC000023434879	553776520	/nfs/dbraw/zinc/77/65/20/553776520.db2.gz	UUEZQQZOSIXVSH-GOSISDBHSA-N	0	0	528.096	3.280	50	0		KGAARN
COc1ccc(S(=O)(=O)N2CCC[C@H](C)C2)cc1N1CCN(S(=O)(=O)c2ccccc2Cl)CC1	ZINC000023434883	553776534	/nfs/dbraw/zinc/77/65/34/553776534.db2.gz	UUEZQQZOSIXVSH-SFHVURJKSA-N	0	0	528.096	3.280	50	0		KGAARN
COC(=O)c1ccc(CO[C@@H](CN2CCN(C(=O)c3cc(C)n(C)n3)CC2)c2cccc(OC)c2)cc1	ZINC000023434940	553776553	/nfs/dbraw/zinc/77/65/53/553776553.db2.gz	BHFFTKOWDXCNQO-SANMLTNESA-N	0	0	506.603	3.240	50	0		KGAARN
COC(=O)c1ccc(CO[C@H](CN2CCN(C(=O)c3cc(C)n(C)n3)CC2)c2cccc(OC)c2)cc1	ZINC000023434944	553776845	/nfs/dbraw/zinc/77/68/45/553776845.db2.gz	BHFFTKOWDXCNQO-AREMUKBSSA-N	0	0	506.603	3.240	50	0		KGAARN
COC(=O)c1ccc(CO[C@@H](CN2CCN(C(=O)c3cc(C)nn3C)CC2)c2cccc(OC)c2)cc1	ZINC000023435654	553776731	/nfs/dbraw/zinc/77/67/31/553776731.db2.gz	OTTLLQWVZSLEEA-SANMLTNESA-N	0	0	506.603	3.240	50	0		KGAARN
COC(=O)c1ccc(CO[C@H](CN2CCN(C(=O)c3cc(C)nn3C)CC2)c2cccc(OC)c2)cc1	ZINC000023435657	553776777	/nfs/dbraw/zinc/77/67/77/553776777.db2.gz	OTTLLQWVZSLEEA-AREMUKBSSA-N	0	0	506.603	3.240	50	0		KGAARN
O=C(NCc1ccc2c(c1)OCO2)c1cccnc1N1CCN(C(=O)NCc2ccc(Cl)cc2)CC1	ZINC000023437774	553777417	/nfs/dbraw/zinc/77/74/17/553777417.db2.gz	NNDVUMGDZBMXEN-UHFFFAOYSA-N	0	0	507.978	3.426	50	0		KGAARN
COc1ccc(CCNC(=O)N2CCN(c3ncccc3NC(=O)c3ccc4c(c3)OCO4)CC2)cc1	ZINC000023437980	553777390	/nfs/dbraw/zinc/77/73/90/553777390.db2.gz	FUZLPPDHYSHMRP-UHFFFAOYSA-N	0	0	503.559	3.146	50	0		KGAARN
COc1ccc(CCNC(=O)c2cccnc2N2CCN(C(=O)NCc3cccc(F)c3)CC2)cc1OC	ZINC000023438303	553777398	/nfs/dbraw/zinc/77/73/98/553777398.db2.gz	SPTBSUJIMBUUEF-UHFFFAOYSA-N	0	0	521.593	3.242	50	0		KGAARN
COc1ccc(CCNC(=O)c2cccnc2N2CCN(C(=O)NCc3ccccc3F)CC2)cc1OC	ZINC000023439133	553777726	/nfs/dbraw/zinc/77/77/26/553777726.db2.gz	PXXVWQUHKRYJLS-UHFFFAOYSA-N	0	0	521.593	3.242	50	0		KGAARN
O=C(COc1cccc(Cl)c1)N1CCN(c2ncccc2C(=O)NCc2ccc3c(c2)OCO3)CC1	ZINC000023439598	553777981	/nfs/dbraw/zinc/77/79/81/553777981.db2.gz	PFHJHEANKOSYTK-UHFFFAOYSA-N	0	0	508.962	3.121	50	0		KGAARN
COc1ccc(CCNC(=O)c2cccnc2N2CCN(C(=O)c3ccccc3OC)CC2)cc1OC	ZINC000023441575	553778728	/nfs/dbraw/zinc/77/87/28/553778728.db2.gz	GZDXOBCQIUEFLJ-UHFFFAOYSA-N	0	0	504.587	3.042	50	0		KGAARN
COc1cccc(CNC(=O)N2CCN(c3ncccc3C(=O)NCCc3ccc(OC)c(OC)c3)CC2)c1	ZINC000023443039	553779458	/nfs/dbraw/zinc/77/94/58/553779458.db2.gz	UKMMVPUFEWHJEI-UHFFFAOYSA-N	0	0	533.629	3.112	50	0	biogenic	KGAARN
COc1ccc(CCNC(=O)c2cccnc2N2CCN(C(=O)c3ccc(F)c(F)c3)CC2)cc1OC	ZINC000023443420	553779413	/nfs/dbraw/zinc/77/94/13/553779413.db2.gz	UBKJDFZCEGECNN-UHFFFAOYSA-N	0	0	510.541	3.312	50	0	biogenic	KGAARN
COc1ccc(CCNC(=O)c2cccnc2N2CCN(C(=O)c3ccc(N(C)C)cc3)CC2)cc1OC	ZINC000023444286	553779667	/nfs/dbraw/zinc/77/96/67/553779667.db2.gz	NSYFZCXNYBNXEL-UHFFFAOYSA-N	0	0	517.630	3.100	50	0	biogenic	KGAARN
COc1ccc(CCNC(=O)c2cccnc2N2CCN(C(=O)c3cccc(F)c3F)CC2)cc1OC	ZINC000023444838	553779607	/nfs/dbraw/zinc/77/96/07/553779607.db2.gz	IWQLOSUUZVYYHX-UHFFFAOYSA-N	0	0	510.541	3.312	50	0		KGAARN
O=C(c1cncc(Br)c1)N1CCN(c2nccc(-c3ccc(N4CCOCC4)cc3)n2)CC1	ZINC000023445359	553779987	/nfs/dbraw/zinc/77/99/87/553779987.db2.gz	LLODRVQONOMBKV-UHFFFAOYSA-N	0	0	509.408	3.100	50	0		KGAARN
COc1ccc(S(=O)(=O)NCCc2ccc(F)cc2)cc1N1CCN(C(=O)Cc2ccccc2)CC1	ZINC000023446165	553780288	/nfs/dbraw/zinc/78/02/88/553780288.db2.gz	OENQURQXFCRJEO-UHFFFAOYSA-N	0	0	511.619	3.247	50	0		KGAARN
COc1ccc(S(=O)(=O)N(C)CCc2ccccc2)cc1N1CCN(C(=O)Cc2ccccc2)CC1	ZINC000023446683	553780618	/nfs/dbraw/zinc/78/06/18/553780618.db2.gz	GXSVHRDTDUAOJC-UHFFFAOYSA-N	0	0	507.656	3.450	50	0		KGAARN
O=C(NCc1ccc2c(c1)OCO2)c1cccnc1N1CCN(C(=O)c2ccc(OC(F)F)cc2)CC1	ZINC000023447025	553780822	/nfs/dbraw/zinc/78/08/22/553780822.db2.gz	LFNAASXLUCNYKE-UHFFFAOYSA-N	0	0	510.497	3.304	50	0		KGAARN
COc1ccc(C(=O)N2CCN(c3ncccc3C(=O)NCCc3ccc(OC)c(OC)c3)CC2)cc1F	ZINC000023447425	553780904	/nfs/dbraw/zinc/78/09/04/553780904.db2.gz	SHTAXDNAMISROX-UHFFFAOYSA-N	0	0	522.577	3.181	50	0		KGAARN
COc1ccc(S(=O)(=O)NCCc2ccc(F)cc2)cc1N1CCN(C(=O)COc2ccccc2)CC1	ZINC000023448295	553781348	/nfs/dbraw/zinc/78/13/48/553781348.db2.gz	RNEQUNMEWMOXMS-UHFFFAOYSA-N	0	0	527.618	3.083	50	0		KGAARN
CCOC(=O)c1cc(-c2ccc(N3CCN(C(=O)CCCC(=O)OC)CC3)cc2)n(-c2ccccn2)n1	ZINC000023449012	553781415	/nfs/dbraw/zinc/78/14/15/553781415.db2.gz	FWAIFRILGFMGCJ-UHFFFAOYSA-N	0	0	505.575	3.103	50	0		KGAARN
COc1ccc(S(=O)(=O)N(C)CCc2ccccc2)cc1N1CCN(C(=O)COc2ccccc2)CC1	ZINC000023449070	553781356	/nfs/dbraw/zinc/78/13/56/553781356.db2.gz	PWHNHXYJEBXHFS-UHFFFAOYSA-N	0	0	523.655	3.286	50	0		KGAARN
CCOC(=O)CCC(=O)N1CCN(c2ccc(-c3cc(C(=O)OCC)nn3-c3ccccn3)cc2)CC1	ZINC000023449675	553781685	/nfs/dbraw/zinc/78/16/85/553781685.db2.gz	PQSJFEXXYUCVHO-UHFFFAOYSA-N	0	0	505.575	3.103	50	0		KGAARN
COc1ccc(S(=O)(=O)N2CCN(c3ccc(NC(=O)c4ccc(F)cc4)cn3)CC2)c(OC)c1	ZINC000023450088	553781846	/nfs/dbraw/zinc/78/18/46/553781846.db2.gz	HBHASTZEHAHIAF-UHFFFAOYSA-N	0	0	500.552	3.001	50	0		KGAARN
COc1ccc(CCNC(=O)c2cccnc2N2CCN(C(=O)c3cc(C)nn3C(C)(C)C)CC2)cc1OC	ZINC000023450231	553781937	/nfs/dbraw/zinc/78/19/37/553781937.db2.gz	UFWQKUJIAFFNLC-UHFFFAOYSA-N	0	0	534.661	3.294	50	0		KGAARN
O=C(C1=NNC(=O)CC1)N1CCN(Cc2cccc(-c3noc(-c4cccc(C(F)(F)F)c4)n3)c2)CC1	ZINC000023450777	553782281	/nfs/dbraw/zinc/78/22/81/553782281.db2.gz	FZWIALIGMOQWLR-UHFFFAOYSA-N	0	0	512.492	3.333	50	0		KGAARN
COc1ccc(OC)c(S(=O)(=O)N2CCN(c3ccc(NC(=O)c4ccc(F)cc4)cn3)CC2)c1	ZINC000023450845	553782221	/nfs/dbraw/zinc/78/22/21/553782221.db2.gz	SBYDLSUWODNLCN-UHFFFAOYSA-N	0	0	500.552	3.001	50	0		KGAARN
CCOC(=O)c1cc(-c2ccc(N3CCN(C(=O)CCCCC(=O)OC)CC3)cc2)n(-c2ccccn2)n1	ZINC000023451297	553782236	/nfs/dbraw/zinc/78/22/36/553782236.db2.gz	BSDQOLLINNHADM-UHFFFAOYSA-N	0	0	519.602	3.493	50	0		KGAARN
COc1ccc(S(=O)(=O)NCCc2ccc(F)cc2)cc1N1CCN(C(=O)c2cccc(F)c2)CC1	ZINC000023451523	553782514	/nfs/dbraw/zinc/78/25/14/553782514.db2.gz	ODEDXXSQKPNPBU-UHFFFAOYSA-N	0	0	515.582	3.457	50	0		KGAARN
CCOC(=O)CCCC(=O)N1CCN(c2ccc(-c3cc(C(=O)OCC)nn3-c3ccccn3)cc2)CC1	ZINC000023451587	553782430	/nfs/dbraw/zinc/78/24/30/553782430.db2.gz	XLIQPCNPHRFRJM-UHFFFAOYSA-N	0	0	519.602	3.493	50	0		KGAARN
COc1ccc(S(=O)(=O)NCCc2ccc(F)cc2)cc1N1CCN(C(=O)c2ccccc2F)CC1	ZINC000023451847	553782524	/nfs/dbraw/zinc/78/25/24/553782524.db2.gz	KIMDZPSQRDQWFH-UHFFFAOYSA-N	0	0	515.582	3.457	50	0		KGAARN
O=C(COc1c(F)c(F)c(F)c(F)c1F)N1CCN(c2nccc(-c3ccc4c(c3)OCO4)n2)CC1	ZINC000023451933	553782511	/nfs/dbraw/zinc/78/25/11/553782511.db2.gz	FNYUYVMXPBMURH-UHFFFAOYSA-N	0	0	508.403	3.295	50	0		KGAARN
COc1ccc(S(=O)(=O)N2CCC(Cc3ccccc3)CC2)cc1N1CCN(C(=O)c2ccno2)CC1	ZINC000023452017	553782530	/nfs/dbraw/zinc/78/25/30/553782530.db2.gz	DZYUTTHSZIRWRO-UHFFFAOYSA-N	0	0	524.643	3.289	50	0		KGAARN
CCOC(=O)c1cc(-c2ccc(N3CCN(C(=O)CCC(=O)OC)CC3)cc2)n(-c2ccc(F)cc2)n1	ZINC000023452039	553782439	/nfs/dbraw/zinc/78/24/39/553782439.db2.gz	PICVJXOMLGYBGL-UHFFFAOYSA-N	0	0	508.550	3.457	50	0		KGAARN
COc1ccc(S(=O)(=O)NCCc2ccc(F)cc2)cc1N1CCN(C(=O)Cc2cccs2)CC1	ZINC000023452100	553782465	/nfs/dbraw/zinc/78/24/65/553782465.db2.gz	OJGIOPSCTYTBCO-UHFFFAOYSA-N	0	0	517.648	3.308	50	0		KGAARN
CCOC(=O)c1cc(-c2ccc(N3CCN(C(=O)C(C)(C)OC(C)=O)CC3)cc2)n(-c2ccccn2)n1	ZINC000023452381	553782507	/nfs/dbraw/zinc/78/25/07/553782507.db2.gz	BKFKMGRHIVJKRF-UHFFFAOYSA-N	0	0	505.575	3.101	50	0		KGAARN
O=C(c1c(F)c(F)cc(F)c1F)N1CCN(c2nccc(-c3ccc(N4CCOCC4)cc3)n2)CC1	ZINC000023452390	553782501	/nfs/dbraw/zinc/78/25/01/553782501.db2.gz	KYNKVFDXYJTNGI-UHFFFAOYSA-N	0	0	501.484	3.499	50	0		KGAARN
CCOC(=O)c1cc(-c2ccc(N3CCN(C(=O)CCC(=O)OC)CC3)cc2)n(-c2cccc(F)c2)n1	ZINC000023452824	553782777	/nfs/dbraw/zinc/78/27/77/553782777.db2.gz	QKULLQFZKVBTJB-UHFFFAOYSA-N	0	0	508.550	3.457	50	0		KGAARN
O=S(=O)(c1cccc(Cl)c1)N1CCN(c2nccc(-c3ccc(N4CCOCC4)cc3)n2)CC1	ZINC000023453897	553782977	/nfs/dbraw/zinc/78/29/77/553782977.db2.gz	AJBDKHZMJUHNEC-UHFFFAOYSA-N	0	0	500.024	3.145	50	0		KGAARN
COc1ccc(N(C)S(=O)(=O)c2ccc(OC)c(N3CCN(C(=O)Cc4ccccc4)CC3)c2)cc1	ZINC000023455058	553783546	/nfs/dbraw/zinc/78/35/46/553783546.db2.gz	UDZPGMVWUUJIPX-UHFFFAOYSA-N	0	0	509.628	3.420	50	0		KGAARN
CCCc1ccc(S(=O)(=O)N2CCN(c3nccc(-c4ccc(N5CCOCC5)cc4)n3)CC2)cc1	ZINC000023455284	553783753	/nfs/dbraw/zinc/78/37/53/553783753.db2.gz	SUFMIFNQTNTLEO-UHFFFAOYSA-N	0	0	507.660	3.444	50	0		KGAARN
CCOC(=O)c1cc(-c2ccc(N3CCN(C(=O)CCC(=O)OC)CC3)cc2)n(-c2ccc(OC)cc2)n1	ZINC000023455899	553783801	/nfs/dbraw/zinc/78/38/01/553783801.db2.gz	GJNJDTRTVIVSMR-UHFFFAOYSA-N	0	0	520.586	3.326	50	0		KGAARN
COc1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1N1CCN(C(=O)COc2ccccc2)CC1	ZINC000023456401	553784123	/nfs/dbraw/zinc/78/41/23/553784123.db2.gz	HCFSSVBRLKBGQF-UHFFFAOYSA-N	0	0	521.639	3.170	50	0		KGAARN
COc1ccc(CNC(=O)c2cccnc2N2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)cc1	ZINC000023456490	553784110	/nfs/dbraw/zinc/78/41/10/553784110.db2.gz	HIKINWZFIUMHJU-UHFFFAOYSA-N	0	0	507.037	3.246	50	0		KGAARN
CCOC(=O)Cn1cc(C(=O)C(=O)N2CCOCC2)c2cc(NC(=O)c3ccc(F)c(Cl)c3)ccc21	ZINC000023456961	553784381	/nfs/dbraw/zinc/78/43/81/553784381.db2.gz	DCEUOKPVRGWZJR-UHFFFAOYSA-N	0	0	515.925	3.291	50	0		KGAARN
COc1ccc(N(C)S(=O)(=O)c2ccc(OC)c(N3CCN(C(=O)COc4ccccc4)CC3)c2)cc1	ZINC000023457348	553784449	/nfs/dbraw/zinc/78/44/49/553784449.db2.gz	OMEVJFQGWPRKCN-UHFFFAOYSA-N	0	0	525.627	3.257	50	0		KGAARN
CCOC(=O)c1nc2cc(C)c(C)cc2nc1N1CCN(C(=O)c2cc(OC)c(OC)c(OC)c2)CC1	ZINC000023457754	553784688	/nfs/dbraw/zinc/78/46/88/553784688.db2.gz	RIFGXUNEXIXRMO-UHFFFAOYSA-N	0	0	508.575	3.412	50	0		KGAARN
O=S(=O)(c1ccc2c(c1)nc(SCc1ccccc1)n2CCCN1CCOCC1)N1CCOCC1	ZINC000023458079	553784633	/nfs/dbraw/zinc/78/46/33/553784633.db2.gz	DDIBGGPSPQFWRJ-UHFFFAOYSA-N	0	0	516.689	3.072	50	0		KGAARN
CCOC(=O)c1cc(-c2ccc(N3CCN(C(=O)CCC(=O)OC)CC3)cc2)n(-c2ccccc2OC)n1	ZINC000023458209	553784624	/nfs/dbraw/zinc/78/46/24/553784624.db2.gz	MEKHVFXIBTYDFC-UHFFFAOYSA-N	0	0	520.586	3.326	50	0		KGAARN
CCOC(=O)c1nc2ccccc2nc1N1CCCN(S(=O)(=O)c2ccc(Br)cc2)CC1	ZINC000023458335	553784640	/nfs/dbraw/zinc/78/46/40/553784640.db2.gz	JTCIONRPVNRJEY-UHFFFAOYSA-N	0	0	519.421	3.470	50	0		KGAARN
CCOc1ccccc1C(=O)Nc1ccc(N2CCN(S(=O)(=O)c3cc(OC)ccc3OC)CC2)nc1	ZINC000023459026	553785014	/nfs/dbraw/zinc/78/50/14/553785014.db2.gz	WOEJDBOHAQRTKW-UHFFFAOYSA-N	0	0	526.615	3.261	50	0		KGAARN
Cc1cc(C)c(S(=O)(=O)N2CCN(c3nccc(-c4ccc(N5CCOCC5)cc4)n3)CC2)c(C)c1	ZINC000023459124	553785176	/nfs/dbraw/zinc/78/51/76/553785176.db2.gz	SBGGSNYSTRCIRH-UHFFFAOYSA-N	0	0	507.660	3.416	50	0		KGAARN
COc1ccc(N(C)S(=O)(=O)c2ccc(OC)c(N3CCN(C(=O)Cc4cccs4)CC3)c2)cc1	ZINC000023460548	553785778	/nfs/dbraw/zinc/78/57/78/553785778.db2.gz	FRIURYURMJDWMY-UHFFFAOYSA-N	0	0	515.657	3.482	50	0		KGAARN
COc1cc(-c2ccnc(N3CCN(S(=O)(=O)c4ccccc4Cl)CC3)n2)cc(OC)c1OC	ZINC000023460680	553786083	/nfs/dbraw/zinc/78/60/83/553786083.db2.gz	JDSLYYWZUMNGNI-UHFFFAOYSA-N	0	0	504.996	3.334	50	0		KGAARN
Cc1ccc(CSc2nc3cc(S(=O)(=O)N4CCOCC4)ccc3n2CCCN2CCOCC2)cc1	ZINC000023461999	553786635	/nfs/dbraw/zinc/78/66/35/553786635.db2.gz	BNFWYYSYKDLHKQ-UHFFFAOYSA-N	0	0	530.716	3.380	50	0		KGAARN
Cc1cccc(CSc2nc3cc(S(=O)(=O)N4CCOCC4)ccc3n2CCCN2CCOCC2)c1	ZINC000023462324	553786840	/nfs/dbraw/zinc/78/68/40/553786840.db2.gz	PBVCZZQJQZYRNK-UHFFFAOYSA-N	0	0	530.716	3.380	50	0		KGAARN
O=C(Nc1cccnc1N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1)c1ccc2c(c1)OCO2	ZINC000023462472	553786844	/nfs/dbraw/zinc/78/68/44/553786844.db2.gz	IUYZXYRTVIQCBA-UHFFFAOYSA-N	0	0	506.993	3.288	50	0		KGAARN
CCN(CC)S(=O)(=O)c1cccc(C(=O)N[C@H](C(=O)OCC(=O)c2c[nH]c3ccccc23)C(C)C)c1	ZINC000023989522	553787843	/nfs/dbraw/zinc/78/78/43/553787843.db2.gz	CZNAQDPPNREEIZ-DEOSSOPVSA-N	0	0	513.616	3.379	50	0		KGAARN
CCN(CC)S(=O)(=O)c1cccc(C(=O)N[C@H](C(=O)OCc2nnc(-c3ccccc3)o2)C(C)C)c1	ZINC000023989523	553787855	/nfs/dbraw/zinc/78/78/55/553787855.db2.gz	NAZJKNSLVUQVEZ-QFIPXVFZSA-N	0	0	514.604	3.265	50	0		KGAARN
CCOC(=O)C1=C(CN(CCOC)Cc2nnc(-c3cccs3)o2)NC(=O)N[C@@H]1c1cccs1	ZINC000023990005	553787833	/nfs/dbraw/zinc/78/78/33/553787833.db2.gz	YLYWRDNTBOPSEA-LJQANCHMSA-N	0	0	503.606	3.179	50	0		KGAARN
CCOC(=O)C1=C(CN(CCOC)Cc2nnc(-c3cccs3)o2)NC(=O)N[C@H]1c1cccs1	ZINC000023990006	553788171	/nfs/dbraw/zinc/78/81/71/553788171.db2.gz	YLYWRDNTBOPSEA-IBGZPJMESA-N	0	0	503.606	3.179	50	0		KGAARN
COc1cc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2CCCN2CCOCC2)cc(OC)c1OC	ZINC000024334546	553790864	/nfs/dbraw/zinc/79/08/64/553790864.db2.gz	UAXPKLDVKSTDEQ-DEOSSOPVSA-N	0	0	508.571	3.395	50	0		KGAARN
COc1cc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2CCCN2CCOCC2)cc(OC)c1OC	ZINC000024334552	553790868	/nfs/dbraw/zinc/79/08/68/553790868.db2.gz	UAXPKLDVKSTDEQ-XMMPIXPASA-N	0	0	508.571	3.395	50	0		KGAARN
CCN1CCN(c2nc(F)c3c(c2F)S(=O)(=O)CCN3Cc2cccc(Br)c2)CC1	ZINC000024615979	553790965	/nfs/dbraw/zinc/79/09/65/553790965.db2.gz	TZLLALYYIVXUBV-UHFFFAOYSA-N	0	0	501.397	3.058	50	0		KGAARN
CCCCN(CCCC)c1nc(F)c2c(c1F)S(=O)(=O)CCN2Cc1ccc(S(N)(=O)=O)cc1	ZINC000024616150	553791034	/nfs/dbraw/zinc/79/10/34/553791034.db2.gz	XUFOFCVSBQPKBC-UHFFFAOYSA-N	0	0	516.636	3.208	50	0		KGAARN
CCCC(=O)Nc1ccc(C(=O)COC(=O)C2C(C(=O)OCC)=C(C)NC(C)=C2C(=O)OCC)cc1	ZINC000024683107	553791300	/nfs/dbraw/zinc/79/13/00/553791300.db2.gz	RJKTXZIUSMBNCY-UHFFFAOYSA-N	0	0	500.548	3.045	50	0		KGAARN
CS(=O)(=O)c1ccccc1C(=O)N(CCC1=CCCCC1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	ZINC000024746061	553791302	/nfs/dbraw/zinc/79/13/02/553791302.db2.gz	WCZILHYFNOMZHX-UHFFFAOYSA-N	0	0	522.627	3.108	50	0		KGAARN
O=C(CNC(=O)c1ccc2ccccc2c1)N1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1	ZINC000024746099	553791299	/nfs/dbraw/zinc/79/12/99/553791299.db2.gz	DUTPSQSNOVCVTR-UHFFFAOYSA-N	0	0	505.518	3.122	50	0		KGAARN
COCCCn1c(C)cc(C(=O)COC(=O)C=Cc2c(C)nn([C@@H]3CCS(=O)(=O)C3)c2Cl)c1C	ZINC000024746500	553791636	/nfs/dbraw/zinc/79/16/36/553791636.db2.gz	QUFXUDQNVGIGSR-IPLHWJFFSA-N	0	0	512.028	3.099	50	0		KGAARN
COCCCn1c(C)cc(C(=O)COC(=O)C=Cc2c(C)nn([C@H]3CCS(=O)(=O)C3)c2Cl)c1C	ZINC000024746508	553791660	/nfs/dbraw/zinc/79/16/60/553791660.db2.gz	QUFXUDQNVGIGSR-DKFQHHCZSA-N	0	0	512.028	3.099	50	0		KGAARN
COc1ccc(CC(=O)Oc2ccc(Cl)cc2Br)cc1S(=O)(=O)N1CCOCC1	ZINC000024754917	553791781	/nfs/dbraw/zinc/79/17/81/553791781.db2.gz	ZQSJOZKYXFCPRI-UHFFFAOYSA-N	0	0	504.786	3.280	50	0		KGAARN
O=C(c1cc(S(=O)(=O)N2CCOCC2)ccc1F)N(Cc1nnc(-c2ccccc2Cl)o1)C1CC1	ZINC000024756134	553791819	/nfs/dbraw/zinc/79/18/19/553791819.db2.gz	ZAFXDSCWSIVVIU-UHFFFAOYSA-N	0	0	520.970	3.355	50	0		KGAARN
Cc1cccc(NC(=O)CSCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2OC(C)C)c1	ZINC000024764322	553791852	/nfs/dbraw/zinc/79/18/52/553791852.db2.gz	BLJGGPVCQWRDFR-UHFFFAOYSA-N	0	0	521.661	3.114	50	0		KGAARN
CCCCn1c(N)c(N(CCC(C)C)C(=O)[C@H]2CC(=O)N(c3cccc(SC)c3)C2)c(=O)[nH]c1=O	ZINC000024765560	553792188	/nfs/dbraw/zinc/79/21/88/553792188.db2.gz	LYKNQEYIHZUTCQ-KRWDZBQOSA-N	0	0	501.653	3.073	50	0		KGAARN
CCCCn1c(N)c(N(CCC(C)C)C(=O)[C@@H]2CC(=O)N(c3cccc(SC)c3)C2)c(=O)[nH]c1=O	ZINC000024765566	553792162	/nfs/dbraw/zinc/79/21/62/553792162.db2.gz	LYKNQEYIHZUTCQ-QGZVFWFLSA-N	0	0	501.653	3.073	50	0		KGAARN
CCCCn1c(N)c(N(CCC(C)C)C(=O)c2cccc(N3C(=O)c4ccccc4C3=O)c2)c(=O)[nH]c1=O	ZINC000024766483	553792142	/nfs/dbraw/zinc/79/21/42/553792142.db2.gz	ZZCVTOLLZAZFQU-UHFFFAOYSA-N	0	0	517.586	3.412	50	0		KGAARN
CCCCn1c(N)c(N(CC(C)C)C(=O)c2cccc(S(=O)(=O)N(C)c3ccccc3)c2)c(=O)[nH]c1=O	ZINC000024770219	553792147	/nfs/dbraw/zinc/79/21/47/553792147.db2.gz	VLCUNGKRFBGMQT-UHFFFAOYSA-N	0	0	527.647	3.047	50	0		KGAARN
CC(C)CN(C(=O)COC(=O)c1ccc2ccccc2c1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	ZINC000024770821	553792150	/nfs/dbraw/zinc/79/21/50/553792150.db2.gz	LLQRAEQNGXKSGV-UHFFFAOYSA-N	0	0	500.555	3.166	50	0		KGAARN
COc1cccc(CNC(=O)COC(=O)COc2ccc(N(C)S(=O)(=O)c3ccc(C)cc3)cc2)c1	ZINC000024772297	553792152	/nfs/dbraw/zinc/79/21/52/553792152.db2.gz	MSRGWYVBGPTHJZ-UHFFFAOYSA-N	0	0	512.584	3.067	50	0		KGAARN
Cc1ccc(SCC(=O)OCC(=O)N(CC(C)C)c2c(N)n(Cc3ccccc3)c(=O)[nH]c2=O)cc1C	ZINC000024772920	553792186	/nfs/dbraw/zinc/79/21/86/553792186.db2.gz	VCRMWMIWIVJHOH-UHFFFAOYSA-N	0	0	524.643	3.108	50	0		KGAARN
Cc1ccccc1C(=O)N1CCC(C(=O)N(CC(C)C)c2c(N)n(Cc3ccccc3)c(=O)[nH]c2=O)CC1	ZINC000024772961	553792181	/nfs/dbraw/zinc/79/21/81/553792181.db2.gz	QQXDDDJWBDSEMU-UHFFFAOYSA-N	0	0	517.630	3.017	50	0		KGAARN
O=C(COC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)Nc1c(Cl)cccc1C(F)(F)F	ZINC000024772968	553792153	/nfs/dbraw/zinc/79/21/53/553792153.db2.gz	AQDIGCNSMMTWJC-UHFFFAOYSA-N	0	0	506.886	3.175	50	0		KGAARN
CN1CCN(S(=O)(=O)c2cccc(C(=O)N(Cc3nnc(-c4ccc(Cl)cc4)o3)C3CC3)c2)CC1	ZINC000024773116	553792481	/nfs/dbraw/zinc/79/24/81/553792481.db2.gz	CVCWDIOQMJGZNH-UHFFFAOYSA-N	0	0	516.023	3.131	50	0		KGAARN
CCN(CC(=O)Nc1ccc(S(=O)(=O)N(CC)CC)cc1)Cc1nc2cc(Cl)ccc2c(=O)[nH]1	ZINC000025065670	553792809	/nfs/dbraw/zinc/79/28/09/553792809.db2.gz	OFCSFPWPFNFGJU-UHFFFAOYSA-N	0	0	506.028	3.480	50	0		KGAARN
CCOC(=O)CCc1c(C)nc2ncnn2c1N1CCN(S(=O)(=O)c2ccc(C(C)(C)CC)cc2)CC1	ZINC000025141900	553793162	/nfs/dbraw/zinc/79/31/62/553793162.db2.gz	FTRGFPAXSMXCQV-UHFFFAOYSA-N	0	0	528.679	3.127	50	0		KGAARN
Cc1ccccc1CSc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1CCCN1CCOCC1	ZINC000025141994	553793145	/nfs/dbraw/zinc/79/31/45/553793145.db2.gz	IBDATHNVCWJTFV-UHFFFAOYSA-N	0	0	530.716	3.380	50	0		KGAARN
COc1cc(-c2ccnc(N3CCN(S(=O)(=O)c4ccc(F)c(Cl)c4)CC3)n2)cc(OC)c1OC	ZINC000025143767	553794131	/nfs/dbraw/zinc/79/41/31/553794131.db2.gz	CZQWHLIRJJSGHU-UHFFFAOYSA-N	0	0	522.986	3.473	50	0		KGAARN
COc1cc(-c2ccnc(N3CCN(S(=O)(=O)c4ccc(F)cc4Cl)CC3)n2)cc(OC)c1OC	ZINC000025144450	553794463	/nfs/dbraw/zinc/79/44/63/553794463.db2.gz	VPHIDCNMYOXDTD-UHFFFAOYSA-N	0	0	522.986	3.473	50	0		KGAARN
O=S(=O)(c1c(F)c(F)c(F)c(F)c1F)N1CCN(c2nccc(-c3ccc4c(c3)OCO4)n2)CC1	ZINC000025146471	553795296	/nfs/dbraw/zinc/79/52/96/553795296.db2.gz	OQEYDKOQTRQYSG-UHFFFAOYSA-N	0	0	514.432	3.079	50	0		KGAARN
CCOC(=O)c1nc2ccccc2nc1N1CCN(S(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)CC1	ZINC000025146490	553795393	/nfs/dbraw/zinc/79/53/93/553795393.db2.gz	NCPVIXVIXGEQIX-UHFFFAOYSA-N	0	0	516.448	3.013	50	0		KGAARN
COc1ccc(CCNC(=O)N2CCCN(c3c(-c4ccc(OC)cc4)cnc4ncnn43)CC2)cc1	ZINC000025148800	553795930	/nfs/dbraw/zinc/79/59/30/553795930.db2.gz	QRDBNNRWVWRJSB-UHFFFAOYSA-N	0	0	501.591	3.273	50	0		KGAARN
CC(=O)N[C@@H](Cc1ccccc1F)C(=O)N1CCN(Cc2cccc(-c3noc(-c4cccnc4)n3)c2)CC1	ZINC000025149699	553796073	/nfs/dbraw/zinc/79/60/73/553796073.db2.gz	DLDUICBJMWKQOF-SANMLTNESA-N	0	0	528.588	3.329	50	0		KGAARN
CC(=O)N[C@H](Cc1ccccc1F)C(=O)N1CCN(Cc2cccc(-c3noc(-c4cccnc4)n3)c2)CC1	ZINC000025149702	553796035	/nfs/dbraw/zinc/79/60/35/553796035.db2.gz	DLDUICBJMWKQOF-AREMUKBSSA-N	0	0	528.588	3.329	50	0		KGAARN
CCOC(=O)c1ccc(NC(=O)N2CCN(c3c(-c4ccc(OC)cc4)cnc4ncnn43)CC2)cc1	ZINC000025151328	553796632	/nfs/dbraw/zinc/79/66/32/553796632.db2.gz	JNIWIIWQEJMUAZ-UHFFFAOYSA-N	0	0	501.547	3.331	50	0		KGAARN
Cc1ccc(F)cc1C(=O)N1CCN(c2nc3nccc(-c4ccc(N5CCOCC5)cc4)n3n2)CC1	ZINC000025152104	553796980	/nfs/dbraw/zinc/79/69/80/553796980.db2.gz	ZRNWRZNHCJARRO-UHFFFAOYSA-N	0	0	501.566	3.038	50	0		KGAARN
CCOC(=O)c1cccc(NC(=O)N2CCN(c3c(-c4ccc(OC)cc4)cnc4ncnn43)CC2)c1	ZINC000025152217	553796997	/nfs/dbraw/zinc/79/69/97/553796997.db2.gz	AANRYEHHSQWAGB-UHFFFAOYSA-N	0	0	501.547	3.331	50	0		KGAARN
CCOC(=O)Cn1cc(C(=O)C(=O)N2CCc3ccccc3C2)c2cc(NC(=O)c3ccno3)ccc21	ZINC000025152372	553797004	/nfs/dbraw/zinc/79/70/04/553797004.db2.gz	MXGUJGLFBNMYRK-UHFFFAOYSA-N	0	0	500.511	3.212	50	0		KGAARN
Cc1cccc(-c2ccnc3nc(N4CCN(S(=O)(=O)c5ccc(Br)cc5)CC4)nn32)c1	ZINC000025153298	553797237	/nfs/dbraw/zinc/79/72/37/553797237.db2.gz	QVHSYESNNCRPSR-UHFFFAOYSA-N	0	0	513.421	3.373	50	0		KGAARN
CCOC(=O)[C@@H](Cc1ccccc1)NC(=O)N1CCN(c2c(Cc3ccccc3)c(C)nc3ncnn32)CC1	ZINC000025153410	553797527	/nfs/dbraw/zinc/79/75/27/553797527.db2.gz	IUKHIGFWYWLTHM-RUZDIDTESA-N	0	0	527.629	3.030	50	0		KGAARN
CCOC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCN(c2c(Cc3ccccc3)c(C)nc3ncnn32)CC1	ZINC000025153414	553797498	/nfs/dbraw/zinc/79/74/98/553797498.db2.gz	IUKHIGFWYWLTHM-VWLOTQADSA-N	0	0	527.629	3.030	50	0		KGAARN
CCOC(=O)c1cc(-c2ccc(N3CCN(C(=O)c4cnn(C)c4Cl)CC3)cc2)n(-c2ccccn2)n1	ZINC000025153947	553797725	/nfs/dbraw/zinc/79/77/25/553797725.db2.gz	QKCSDVXJCCMDPM-UHFFFAOYSA-N	0	0	519.993	3.460	50	0		KGAARN
COc1ccc(-c2cnc3ncnn3c2N2CCN(C(=O)Nc3ccc(C(C)=O)cc3)CC2)cc1OC	ZINC000025154244	553798005	/nfs/dbraw/zinc/79/80/05/553798005.db2.gz	QZOKKSULLIGPGF-UHFFFAOYSA-N	0	0	501.547	3.365	50	0		KGAARN
COC(=O)c1ccccc1NC(=O)N1CCCN(c2c(-c3ccc(OC)cc3)cnc3ncnn32)CC1	ZINC000025154666	553798158	/nfs/dbraw/zinc/79/81/58/553798158.db2.gz	WBLMVTSBTVMZBM-UHFFFAOYSA-N	0	0	501.547	3.331	50	0		KGAARN
CCOC(=O)c1nc2ccccc2nc1N1CCCN(C(=O)c2cnc3c(c(C)nn3C)c2Cl)CC1	ZINC000025154796	553798194	/nfs/dbraw/zinc/79/81/94/553798194.db2.gz	XHXHYMVHWFODRE-UHFFFAOYSA-N	0	0	507.982	3.403	50	0		KGAARN
COc1cc(NC(=O)N2CCN(c3c(Cc4ccccc4)c(C)nc4ncnn43)CC2)cc(OC)c1OC	ZINC000025155055	553798235	/nfs/dbraw/zinc/79/82/35/553798235.db2.gz	UCBDLBJTFROAQD-UHFFFAOYSA-N	0	0	517.590	3.403	50	0		KGAARN
O=C(C1=COc2ccc(Cl)cc2C1)N1CCN(c2nc3nccc(-c4ccc5c(c4)OCO5)n3n2)CC1	ZINC000025156056	553798746	/nfs/dbraw/zinc/79/87/46/553798746.db2.gz	LSRUYHVLSYQFOR-UHFFFAOYSA-N	0	0	516.945	3.341	50	0		KGAARN
O=S(=O)(c1ccc2c(c1)nc(SCc1nc3ccccc3[nH]1)n2C[C@@H]1CCCO1)N1CCOCC1	ZINC000025156776	553799354	/nfs/dbraw/zinc/79/93/54/553799354.db2.gz	ATYFASBQXJIXIQ-KRWDZBQOSA-N	0	0	513.645	3.405	50	0		KGAARN
O=S(=O)(c1ccc2c(c1)nc(SCc1nc3ccccc3[nH]1)n2C[C@H]1CCCO1)N1CCOCC1	ZINC000025156783	553799373	/nfs/dbraw/zinc/79/93/73/553799373.db2.gz	ATYFASBQXJIXIQ-QGZVFWFLSA-N	0	0	513.645	3.405	50	0		KGAARN
Cc1nc(C(F)(F)F)ccc1C(=O)N1CCN(c2nc3nccc(-c4ccc5c(c4)OCO5)n3n2)CC1	ZINC000025156861	553799314	/nfs/dbraw/zinc/79/93/14/553799314.db2.gz	CFWBUMDWSVCHRZ-UHFFFAOYSA-N	0	0	511.464	3.205	50	0		KGAARN
COc1ccc(-c2cnc3ncnn3c2N2CCN(C(=O)Nc3cc(OC)c(OC)c(OC)c3)CC2)cc1	ZINC000025157139	553799655	/nfs/dbraw/zinc/79/96/55/553799655.db2.gz	ZUORQWLJQNFDRI-UHFFFAOYSA-N	0	0	519.562	3.180	50	0		KGAARN
Cc1nc2ncnn2c(N2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)c1Cc1ccccc1	ZINC000025157648	553799967	/nfs/dbraw/zinc/79/99/67/553799967.db2.gz	SOUZUDZWIYQABE-UHFFFAOYSA-N	0	0	500.987	3.327	50	0		KGAARN
O=S(=O)(c1ccc(OC(F)(F)F)cc1)N1CCN(c2c(-c3ccccc3)cnc3ncnn32)CC1	ZINC000025157815	553799943	/nfs/dbraw/zinc/79/99/43/553799943.db2.gz	JRAVEMWILFADJP-UHFFFAOYSA-N	0	0	504.494	3.201	50	0		KGAARN
Cc1nc2ncnn2c(N2CCN(S(=O)(=O)c3ccc(F)cc3Cl)CC2)c1Cc1ccccc1	ZINC000025158210	553800336	/nfs/dbraw/zinc/80/03/36/553800336.db2.gz	IJXPDCSBMOJRHV-UHFFFAOYSA-N	0	0	500.987	3.327	50	0		KGAARN
O=S(=O)(c1cccc(F)c1)N1CCN(c2nc3nccc(-c4cccc(C(F)(F)F)c4)n3n2)CC1	ZINC000025158503	553800525	/nfs/dbraw/zinc/80/05/25/553800525.db2.gz	FXIPWBBIRJPDRB-UHFFFAOYSA-N	0	0	506.485	3.460	50	0		KGAARN
COc1ccc(OC)c(NC(=O)N2CCN(c3c(-c4ccc(OC)c(OC)c4)cnc4ncnn43)CC2)c1	ZINC000025158682	553800883	/nfs/dbraw/zinc/80/08/83/553800883.db2.gz	CUDZYSZSSAFTRV-UHFFFAOYSA-N	0	0	519.562	3.180	50	0		KGAARN
O=S(=O)(c1cccc(OC(F)(F)F)c1)N1CCN(c2c(-c3ccccc3)cnc3ncnn32)CC1	ZINC000025158747	553800811	/nfs/dbraw/zinc/80/08/11/553800811.db2.gz	OKGCBXXJFNFPTF-UHFFFAOYSA-N	0	0	504.494	3.201	50	0		KGAARN
COc1ccc(-c2cnc3ncnn3c2N2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)cc1	ZINC000025159136	553801014	/nfs/dbraw/zinc/80/10/14/553801014.db2.gz	ZKOFOUYNEDAMMA-UHFFFAOYSA-N	0	0	502.959	3.103	50	0		KGAARN
COc1ccc(-c2cnc3ncnn3c2N2CCCN(C(=O)c3cc(C(C)(C)C)nn3C)CC2)cc1OC	ZINC000025159360	553800999	/nfs/dbraw/zinc/80/09/99/553800999.db2.gz	XXPURCIGMRAOOS-UHFFFAOYSA-N	0	0	518.622	3.192	50	0		KGAARN
COc1ccc(-c2cnc3ncnn3c2N2CCN(S(=O)(=O)c3ccc(F)cc3Cl)CC2)cc1	ZINC000025159568	553801288	/nfs/dbraw/zinc/80/12/88/553801288.db2.gz	MAGTXFOEOOOPJY-UHFFFAOYSA-N	0	0	502.959	3.103	50	0		KGAARN
O=S(=O)(c1ccccc1OC(F)(F)F)N1CCN(c2c(-c3ccccc3)cnc3ncnn32)CC1	ZINC000025159773	553801555	/nfs/dbraw/zinc/80/15/55/553801555.db2.gz	WECYRTRNHYCMTF-UHFFFAOYSA-N	0	0	504.494	3.201	50	0		KGAARN
COc1cccc(S(=O)(=O)N2CCN(c3nc4nccc(-c5cccc(C(F)(F)F)c5)n4n3)CC2)c1	ZINC000025160193	553801805	/nfs/dbraw/zinc/80/18/05/553801805.db2.gz	XODOYRREHUZHDE-UHFFFAOYSA-N	0	0	518.521	3.330	50	0		KGAARN
CCCCOc1ccc(S(=O)(=O)N2CCN(c3c(-c4ccc(OC)cc4)cnc4ncnn43)CC2)cc1	ZINC000025160209	553801809	/nfs/dbraw/zinc/80/18/09/553801809.db2.gz	QHTNEKLFXTVCHV-UHFFFAOYSA-N	0	0	522.631	3.490	50	0		KGAARN
COc1cc(OC)cc(C(=O)N2CCCN(c3c(-c4ccc(OC)c(OC)c4)cnc4ncnn43)CC2)c1	ZINC000025160490	553802097	/nfs/dbraw/zinc/80/20/97/553802097.db2.gz	XBPWDCIGVCITKD-UHFFFAOYSA-N	0	0	518.574	3.178	50	0		KGAARN
COc1ccc(C(=O)N2CCCN(c3c(-c4ccc(OC)c(OC)c4)cnc4ncnn43)CC2)c(OC)c1	ZINC000025160591	553802294	/nfs/dbraw/zinc/80/22/94/553802294.db2.gz	DGEMHFJPAGYULV-UHFFFAOYSA-N	0	0	518.574	3.178	50	0		KGAARN
COc1ccc(-c2cnc3ncnn3c2N2CCN(S(=O)(=O)c3ccc(C(F)(F)F)cc3)CC2)cc1	ZINC000025160885	553802309	/nfs/dbraw/zinc/80/23/09/553802309.db2.gz	VYGPDDZIPDTRRI-UHFFFAOYSA-N	0	0	518.521	3.330	50	0		KGAARN
COc1cc(C(=O)N2CCCN(c3c(-c4ccc(OC)c(OC)c4)cnc4ncnn43)CC2)cc(Cl)n1	ZINC000025161009	553802307	/nfs/dbraw/zinc/80/23/07/553802307.db2.gz	BUFISTNLGBOBMU-UHFFFAOYSA-N	0	0	523.981	3.218	50	0		KGAARN
COc1ccc(-c2cnc3ncnn3c2N2CCCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1OC	ZINC000025161152	553802687	/nfs/dbraw/zinc/80/26/87/553802687.db2.gz	DQNJJQGJXDXOAV-UHFFFAOYSA-N	0	0	508.604	3.018	50	0		KGAARN
COc1ccc(-c2cnc3ncnn3c2N2CCCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)cc1	ZINC000025161234	553802675	/nfs/dbraw/zinc/80/26/75/553802675.db2.gz	SKYVRIMNPNERCZ-UHFFFAOYSA-N	0	0	516.986	3.493	50	0		KGAARN
COc1ccc(-c2cnc3ncnn3c2N2CCCN(S(=O)(=O)c3cccc(C)c3)CC2)cc1OC	ZINC000025161285	553802682	/nfs/dbraw/zinc/80/26/82/553802682.db2.gz	KIGKEMKYESEHDK-UHFFFAOYSA-N	0	0	508.604	3.018	50	0		KGAARN
COc1ccc(-c2cnc3ncnn3c2N2CCCN(S(=O)(=O)c3ccccc3C)CC2)cc1OC	ZINC000025161400	553802853	/nfs/dbraw/zinc/80/28/53/553802853.db2.gz	ZSSLGFFULRMZAJ-UHFFFAOYSA-N	0	0	508.604	3.018	50	0		KGAARN
COc1ccc(-c2cnc3ncnn3c2N2CCCN(S(=O)(=O)c3ccc(F)cc3Cl)CC2)cc1	ZINC000025161416	553802870	/nfs/dbraw/zinc/80/28/70/553802870.db2.gz	KFUUOACKIZTAHD-UHFFFAOYSA-N	0	0	516.986	3.493	50	0		KGAARN
CCCc1ccc(S(=O)(=O)N2CCN(c3c(-c4ccc(OC)c(OC)c4)cnc4ncnn43)CC2)cc1	ZINC000025161454	553802872	/nfs/dbraw/zinc/80/28/72/553802872.db2.gz	KRGLJPNNOGBXFQ-UHFFFAOYSA-N	0	0	522.631	3.272	50	0		KGAARN
COc1ccc(-c2cnc3ncnn3c2N2CCN(S(=O)(=O)c3ccc(C(C)C)cc3)CC2)cc1OC	ZINC000025161616	553802874	/nfs/dbraw/zinc/80/28/74/553802874.db2.gz	OREFUYQMPHPLNI-UHFFFAOYSA-N	0	0	522.631	3.443	50	0		KGAARN
COc1ccc(-c2cnc3ncnn3c2N2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)cc1	ZINC000025161669	553802815	/nfs/dbraw/zinc/80/28/15/553802815.db2.gz	YNXGVKUXRMKLOB-UHFFFAOYSA-N	0	0	518.521	3.330	50	0		KGAARN
CCc1ccc(S(=O)(=O)N2CCCN(c3c(-c4ccc(OC)c(OC)c4)cnc4ncnn43)CC2)cc1	ZINC000025161884	553802830	/nfs/dbraw/zinc/80/28/30/553802830.db2.gz	HMKRZVMIJPZQQC-UHFFFAOYSA-N	0	0	522.631	3.272	50	0		KGAARN
COc1ccc(-c2cnc3ncnn3c2N2CCN(S(=O)(=O)c3c(C)cc(C)cc3C)CC2)cc1OC	ZINC000025162108	553803177	/nfs/dbraw/zinc/80/31/77/553803177.db2.gz	SGZFHVLEISMTAR-UHFFFAOYSA-N	0	0	522.631	3.245	50	0		KGAARN
COc1ccc(-c2cnc3ncnn3c2N2CCCN(S(=O)(=O)c3cc(C)ccc3C)CC2)cc1OC	ZINC000025162203	553803145	/nfs/dbraw/zinc/80/31/45/553803145.db2.gz	IPUQWIYHSOYZBR-UHFFFAOYSA-N	0	0	522.631	3.326	50	0		KGAARN
COc1ccc(-c2cnc3ncnn3c2N2CCCN(S(=O)(=O)c3cc(F)ccc3C)CC2)cc1OC	ZINC000025162525	553803169	/nfs/dbraw/zinc/80/31/69/553803169.db2.gz	AXZGUSRXYXAYDM-UHFFFAOYSA-N	0	0	526.594	3.157	50	0		KGAARN
COc1ccc(-c2cnc3ncnn3c2N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)cc1	ZINC000025163980	553803690	/nfs/dbraw/zinc/80/36/90/553803690.db2.gz	XWBMQBZETQTLIK-UHFFFAOYSA-N	0	0	500.584	3.464	50	0		KGAARN
C[C@@]1(C(=O)Nc2ccc(N3CCOCC3)cc2)CSc2ccccc2C(=O)N1CCCN1CCOCC1	ZINC000025177585	553805025	/nfs/dbraw/zinc/80/50/25/553805025.db2.gz	XYALUVKIGFLNCY-NDEPHWFRSA-N	0	0	524.687	3.191	50	0		KGAARN
C[C@]1(C(=O)Nc2ccc(N3CCOCC3)cc2)CSc2ccccc2C(=O)N1CCCN1CCOCC1	ZINC000025177594	553805040	/nfs/dbraw/zinc/80/50/40/553805040.db2.gz	XYALUVKIGFLNCY-MUUNZHRXSA-N	0	0	524.687	3.191	50	0		KGAARN
CCn1cc(/C=C(\NC(=O)c2ccc(OC)c(OC)c2)C(=O)NCCCN2CCOCC2)c2ccccc21	ZINC000025180128	553805036	/nfs/dbraw/zinc/80/50/36/553805036.db2.gz	FLNAKSUCBQTLKP-MOHJPFBDSA-N	0	0	520.630	3.288	50	0		KGAARN
CCN(CC)S(=O)(=O)c1ccc(NC(=O)COC(=O)c2c3ccccc3nc3c2CN(C)CC3)cc1	ZINC000025227790	553806030	/nfs/dbraw/zinc/80/60/30/553806030.db2.gz	SKXHORDXZCSNEQ-UHFFFAOYSA-N	0	0	510.616	3.049	50	0		KGAARN
Cc1sc2nc(CN3CCOCC3)nc(N3CCN(S(=O)(=O)c4ccc(C)cc4C)CC3)c2c1C	ZINC000025286452	553806384	/nfs/dbraw/zinc/80/63/84/553806384.db2.gz	SRXKMGSJJNWIFD-UHFFFAOYSA-N	0	0	515.705	3.268	50	0		KGAARN
CCN(CC)S(=O)(=O)c1cccc(-c2nn(CN3CCOCC3)c(=S)n2Cc2ccccc2)c1	ZINC000025315232	553806401	/nfs/dbraw/zinc/80/64/01/553806401.db2.gz	DLDBTTLLVIYQRT-UHFFFAOYSA-N	0	0	501.678	3.450	50	0		KGAARN
COc1ccc(NS(=O)(=O)c2cccc(C(=O)NC[C@H](c3cccs3)N3CCOCC3)c2)cc1	ZINC000025326304	553806348	/nfs/dbraw/zinc/80/63/48/553806348.db2.gz	GNFCYHNKTCDOSM-JOCHJYFZSA-N	0	0	501.630	3.361	50	0		KGAARN
COc1ccc(NS(=O)(=O)c2cccc(C(=O)NC[C@@H](c3cccs3)N3CCOCC3)c2)cc1	ZINC000025326306	553806369	/nfs/dbraw/zinc/80/63/69/553806369.db2.gz	GNFCYHNKTCDOSM-QFIPXVFZSA-N	0	0	501.630	3.361	50	0		KGAARN
O=C(COC(=O)c1ccccc1OCc1ccccc1)Nc1cccc(S(=O)(=O)N2CCOCC2)c1	ZINC000025330505	553806379	/nfs/dbraw/zinc/80/63/79/553806379.db2.gz	MBOGVIWSGPVHJR-UHFFFAOYSA-N	0	0	510.568	3.082	50	0		KGAARN
CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1C(=O)OCC(=O)Nc1ccc(C)cc1Br	ZINC000025357457	553806649	/nfs/dbraw/zinc/80/66/49/553806649.db2.gz	HLHXTMAFCCXFGA-UHFFFAOYSA-N	0	0	523.380	3.133	50	0		KGAARN
CCOC(=O)c1c(C)c(Cc2ccc3c(c2)OCO3)sc1NC(=O)CN1CCC(C(=O)OC)CC1	ZINC000025388250	553806673	/nfs/dbraw/zinc/80/66/73/553806673.db2.gz	IKGKONIRCGEIOT-UHFFFAOYSA-N	0	0	502.589	3.376	50	0		KGAARN
O=C(COC(=O)c1ccc(Cl)c(S(=O)(=O)NCc2ccccc2)c1)c1ccc2c(c1)NC(=O)CO2	ZINC000025390214	553807009	/nfs/dbraw/zinc/80/70/09/553807009.db2.gz	PCOGSVKWCPXPDG-UHFFFAOYSA-N	0	0	514.943	3.189	50	0		KGAARN
COc1ccc(C(=O)COC(=O)c2cccc(S(=O)(=O)N3CCN(c4ccccc4)CC3)c2)c(OC)c1	ZINC000025391194	553807309	/nfs/dbraw/zinc/80/73/09/553807309.db2.gz	DFKSCYOVGZWGCR-UHFFFAOYSA-N	0	0	524.595	3.254	50	0		KGAARN
COc1cc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)ccc1OC(C)C	ZINC000025393185	553807598	/nfs/dbraw/zinc/80/75/98/553807598.db2.gz	QHMWAUZACLYETP-UHFFFAOYSA-N	0	0	526.611	3.326	50	0		KGAARN
CCOC(=O)[C@@H]1CCCN(CC(=O)Nc2cc(S(=O)(=O)N(CC)c3ccccc3)ccc2OC)C1	ZINC000025393621	553807603	/nfs/dbraw/zinc/80/76/03/553807603.db2.gz	SDPKUGCJSHWGCQ-LJQANCHMSA-N	0	0	503.621	3.124	50	0		KGAARN
CCOC(=O)[C@H]1CCCN(CC(=O)Nc2cc(S(=O)(=O)N(CC)c3ccccc3)ccc2OC)C1	ZINC000025393627	553807570	/nfs/dbraw/zinc/80/75/70/553807570.db2.gz	SDPKUGCJSHWGCQ-IBGZPJMESA-N	0	0	503.621	3.124	50	0		KGAARN
CCOC(=O)c1c(C)c(C)sc1NC(=O)COC(=O)[C@@H](CCSC)N1C(=O)c2ccccc2C1=O	ZINC000025394331	553807813	/nfs/dbraw/zinc/80/78/13/553807813.db2.gz	XKMYJGPNZWKOEX-QGZVFWFLSA-N	0	0	518.613	3.441	50	0		KGAARN
CCOC(=O)c1c(C)c(C)sc1NC(=O)COC(=O)[C@H](CCSC)N1C(=O)c2ccccc2C1=O	ZINC000025394337	553807856	/nfs/dbraw/zinc/80/78/56/553807856.db2.gz	XKMYJGPNZWKOEX-KRWDZBQOSA-N	0	0	518.613	3.441	50	0		KGAARN
COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1C(=O)OCC(=O)N1c2ccccc2Sc2ccccc21	ZINC000025396498	553808121	/nfs/dbraw/zinc/80/81/21/553808121.db2.gz	FPXGHMQRRWDCIN-UHFFFAOYSA-N	0	0	508.552	3.473	50	0		KGAARN
CCOC(=O)c1c(C)c(C(=O)N(C)C)sc1NC(=O)COC(=O)c1ccc(OC(F)F)c(OC)c1	ZINC000025422153	553808559	/nfs/dbraw/zinc/80/85/59/553808559.db2.gz	BMYQMZQHPDLENV-UHFFFAOYSA-N	0	0	514.503	3.341	50	0		KGAARN
Cn1c(N)c(C(=O)CSc2nc3cc(C(F)(F)F)ccc3n2Cc2ccccc2)c(=O)n(C)c1=O	ZINC000025423162	553808937	/nfs/dbraw/zinc/80/89/37/553808937.db2.gz	CDCYQZXZNGGQHQ-UHFFFAOYSA-N	0	0	503.506	3.058	50	0		KGAARN
COc1ccc(N(CC(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)S(=O)(=O)c2ccc(C)cc2)cc1	ZINC000025423322	553808939	/nfs/dbraw/zinc/80/89/39/553808939.db2.gz	FXPMRVGLFAGBDS-UHFFFAOYSA-N	0	0	517.629	3.088	50	0		KGAARN
CCN(CC)S(=O)(=O)c1cccc(NC(=O)CSc2nc3cc(S(=O)(=O)CC)ccc3o2)c1	ZINC000025424954	553809172	/nfs/dbraw/zinc/80/91/72/553809172.db2.gz	BFNYAFQRSKXUOP-UHFFFAOYSA-N	0	0	511.647	3.383	50	0		KGAARN
O=C(COC(=O)CCCCCNS(=O)(=O)c1ccc2c(c1)OCCO2)N[C@@H]1CCCc2ccccc21	ZINC000025424995	553809204	/nfs/dbraw/zinc/80/92/04/553809204.db2.gz	UIUXTVSPWHFECC-JOCHJYFZSA-N	0	0	516.616	3.034	50	0		KGAARN
O=C(COC(=O)CCCCCNS(=O)(=O)c1ccc2c(c1)OCCO2)N[C@H]1CCCc2ccccc21	ZINC000025425000	553809176	/nfs/dbraw/zinc/80/91/76/553809176.db2.gz	UIUXTVSPWHFECC-QFIPXVFZSA-N	0	0	516.616	3.034	50	0		KGAARN
NS(=O)(=O)c1ccc(CCNc2nc(CN3CCOCC3)nc3scc(-c4ccccc4)c32)cc1	ZINC000025427091	553809178	/nfs/dbraw/zinc/80/91/78/553809178.db2.gz	JFGXUKREORFEHK-UHFFFAOYSA-N	0	0	509.657	3.493	50	0		KGAARN
CC[C@@H](C)[C@H](NC(=O)[C@H](CCCCNC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1)C(N)=O	ZINC000025692308	553812533	/nfs/dbraw/zinc/81/25/33/553812533.db2.gz	JISDIDZGOCZLPD-QDSKXPNFSA-N	0	0	526.634	3.394	50	0		KGAARN
CC[C@H](C)[C@H](NC(=O)[C@H](CCCCNC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1)C(N)=O	ZINC000025692312	553812516	/nfs/dbraw/zinc/81/25/16/553812516.db2.gz	JISDIDZGOCZLPD-OYDLWJJNSA-N	0	0	526.634	3.394	50	0		KGAARN
CCN(c1ccccc1)S(=O)(=O)c1ccc(N2CCN(S(=O)(=O)c3ccc(C)cc3C)CC2)nc1	ZINC000025719690	553812954	/nfs/dbraw/zinc/81/29/54/553812954.db2.gz	HDVQFBCHTSIQMB-UHFFFAOYSA-N	0	0	514.673	3.425	50	0		KGAARN
Cc1sc2nc(CN3CCOCC3)nc(N3CCN(S(=O)(=O)c4cc(C)ccc4C)CC3)c2c1C	ZINC000025746940	561762681	/nfs/dbraw/zinc/76/26/81/561762681.db2.gz	XOKCGINQNSELOX-UHFFFAOYSA-N	0	0	515.705	3.268	50	0		KGAARN
CCOC(=O)c1c(NC(=O)[C@@H](C)OC(=O)c2cc[n+]([O-])cc2)sc2c1CCN(Cc1ccccc1)C2	ZINC000025776944	553813484	/nfs/dbraw/zinc/81/34/84/553813484.db2.gz	RMPSIYREQXKSGR-QGZVFWFLSA-N	0	0	509.584	3.301	50	0		KGAARN
CCOC(=O)c1c(NC(=O)[C@H](C)OC(=O)c2cc[n+]([O-])cc2)sc2c1CCN(Cc1ccccc1)C2	ZINC000025776948	553813568	/nfs/dbraw/zinc/81/35/68/553813568.db2.gz	RMPSIYREQXKSGR-KRWDZBQOSA-N	0	0	509.584	3.301	50	0		KGAARN
CCOC(=O)c1[nH]c(CC(=O)Cc2[nH]c(C(=O)OCC)c(C)c2C(=O)OCC)c(C(=O)OCC)c1C	ZINC000025781690	553813591	/nfs/dbraw/zinc/81/35/91/553813591.db2.gz	AWYUDHMEFKWMNW-UHFFFAOYSA-N	0	0	504.536	3.021	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC)c(OC(C)=O)c3)c(=O)n2[C@@H]1c1ccc(C)cc1	ZINC000025782224	553813599	/nfs/dbraw/zinc/81/35/99/553813599.db2.gz	GRMATRJUVILVDU-MGSPXPDISA-N	0	0	506.580	3.041	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC)c(OC(C)=O)c3)c(=O)n2[C@H]1c1ccc(C)cc1	ZINC000025782226	553813496	/nfs/dbraw/zinc/81/34/96/553813496.db2.gz	GRMATRJUVILVDU-XPCGLTFESA-N	0	0	506.580	3.041	50	0		KGAARN
COc1cc(/C=c2/sc3nc(=O)c(Cc4ccc(F)cc4)nn3c2=O)ccc1OCc1ccccc1	ZINC000026533973	553819422	/nfs/dbraw/zinc/81/94/22/553819422.db2.gz	BBVKHMYGKIIHKR-BUVRLJJBSA-N	0	0	501.539	3.376	50	0		KGAARN
O=C(c1ccc(Cl)cc1)c1ccc(OC[C@H](O)CN2CCN(S(=O)(=O)c3ccccc3)CC2)cc1	ZINC000026571125	553819446	/nfs/dbraw/zinc/81/94/46/553819446.db2.gz	UVGIWMMAGJNXIS-HSZRJFAPSA-N	0	0	515.031	3.317	50	0		KGAARN
O=C(c1ccc(Cl)cc1)c1ccc(OC[C@@H](O)CN2CCN(S(=O)(=O)c3ccccc3)CC2)cc1	ZINC000026571130	553819483	/nfs/dbraw/zinc/81/94/83/553819483.db2.gz	UVGIWMMAGJNXIS-QHCPKHFHSA-N	0	0	515.031	3.317	50	0		KGAARN
C/C=C(/C)C(=O)O[C@H]1C(C)=C2[C@H]([C@@H]1OC(=O)CCCCC)[C@@](C)(OC(C)=O)C[C@H](OC(=O)CCC)[C@@]1(O)[C@H]2OC(=O)[C@@]1(C)O	ZINC000026663529	553819937	/nfs/dbraw/zinc/81/99/37/553819937.db2.gz	LXWLOFYIORKNSA-FFOGNQQCSA-N	0	0	622.708	3.148	50	0		KGAARN
CCCOc1ccc(Cc2nn3c(=O)/c(=C\c4cc(Br)ccc4OC)sc3nc2=O)cc1	ZINC000026779388	553820986	/nfs/dbraw/zinc/82/09/86/553820986.db2.gz	MNSQOUSYEBKOOV-DEDYPNTBSA-N	0	0	514.401	3.210	50	0		KGAARN
CCCOc1ccc(Cc2nn3c(nc2=O)s/c(=C/c2ccc(OCC(C)C)c(OC)c2)c3=O)cc1	ZINC000026962572	553822012	/nfs/dbraw/zinc/82/20/12/553822012.db2.gz	QQDTZGKHBQNXHU-BUVRLJJBSA-N	0	0	507.612	3.482	50	0		KGAARN
COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1ccc(OC(=O)COc2ccccc2OC)c(OC)c1	ZINC000026964077	553822359	/nfs/dbraw/zinc/82/23/59/553822359.db2.gz	SVZBNNZYFVFKQX-UHFFFAOYSA-N	0	0	511.527	3.269	50	0		KGAARN
COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1ccc(OC(=O)COc2ccc(OC)cc2)c(OC)c1	ZINC000026964107	553822355	/nfs/dbraw/zinc/82/23/55/553822355.db2.gz	HOIRLHDIOQKMLH-UHFFFAOYSA-N	0	0	511.527	3.269	50	0		KGAARN
COc1ccc(Cc2nn3c(nc2=O)s/c(=C/c2ccc(OCc4ccccc4)c(OC)c2)c3=O)cc1	ZINC000027021362	553823930	/nfs/dbraw/zinc/82/39/30/553823930.db2.gz	KVAPLOZQYKEYMF-PCLIKHOPSA-N	0	0	513.575	3.246	50	0		KGAARN
N[C@@H](CCC(=O)N[C@@H](CSCc1ccc(Br)cc1)C(=O)NCC(=O)OC1CCCC1)C(=O)OC1CCCC1	ZINC000027081457	553825187	/nfs/dbraw/zinc/82/51/87/553825187.db2.gz	QIFSPGPRHFNZNN-GOTSBHOMSA-N	0	0	612.587	3.362	50	0		KGAARN
COc1cc(/C=C(\NC(=O)c2ccccc2)C(=O)N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc2c1OCO2	ZINC000027527589	553830579	/nfs/dbraw/zinc/83/05/79/553830579.db2.gz	IXUGOONUQLYOHS-FTGWKWNSSA-N	0	0	513.550	3.002	50	0	biogenic	KGAARN
O=C(NCCN1CCOCC1)c1nn2c(c1Br)N[C@H](c1ccccc1)C[C@H]2C(F)(F)F	ZINC000027527837	553830913	/nfs/dbraw/zinc/83/09/13/553830913.db2.gz	MXWOMWDEEBKEOL-GJZGRUSLSA-N	0	0	502.335	3.368	50	0		KGAARN
O=C(NCCN1CCOCC1)c1nn2c(c1Br)N[C@H](c1ccccc1)C[C@@H]2C(F)(F)F	ZINC000027527838	553830957	/nfs/dbraw/zinc/83/09/57/553830957.db2.gz	MXWOMWDEEBKEOL-LSDHHAIUSA-N	0	0	502.335	3.368	50	0		KGAARN
O=C(NCCN1CCOCC1)c1nn2c(c1Br)N[C@@H](c1ccccc1)C[C@H]2C(F)(F)F	ZINC000027527839	553830955	/nfs/dbraw/zinc/83/09/55/553830955.db2.gz	MXWOMWDEEBKEOL-CABCVRRESA-N	0	0	502.335	3.368	50	0		KGAARN
O=C(NCCN1CCOCC1)c1nn2c(c1Br)N[C@@H](c1ccccc1)C[C@@H]2C(F)(F)F	ZINC000027527840	553830974	/nfs/dbraw/zinc/83/09/74/553830974.db2.gz	MXWOMWDEEBKEOL-HUUCEWRRSA-N	0	0	502.335	3.368	50	0		KGAARN
COc1ccc(S(=O)(=O)N2Cc3ccccc3C[C@@H]2C(=O)N2CCc3cc(OC)c(OC)cc3C2)cc1	ZINC000027528305	553831331	/nfs/dbraw/zinc/83/13/31/553831331.db2.gz	OIRQGNVZEGESKR-RUZDIDTESA-N	0	0	522.623	3.413	50	0		KGAARN
COc1ccc(S(=O)(=O)N2Cc3ccccc3C[C@H]2C(=O)N2CCc3cc(OC)c(OC)cc3C2)cc1	ZINC000027528306	553831309	/nfs/dbraw/zinc/83/13/09/553831309.db2.gz	OIRQGNVZEGESKR-VWLOTQADSA-N	0	0	522.623	3.413	50	0		KGAARN
CC(=O)Nc1ccc(S(=O)(=O)N2CCN(C[C@@H](O)COc3ccc(-c4ccccc4)cc3)CC2)cc1	ZINC000027530763	553831566	/nfs/dbraw/zinc/83/15/66/553831566.db2.gz	QYBRVULKBOOGQR-RUZDIDTESA-N	0	0	509.628	3.058	50	0		KGAARN
CC(=O)Nc1ccc(S(=O)(=O)N2CCN(C[C@H](O)COc3ccc(-c4ccccc4)cc3)CC2)cc1	ZINC000027530764	553831592	/nfs/dbraw/zinc/83/15/92/553831592.db2.gz	QYBRVULKBOOGQR-VWLOTQADSA-N	0	0	509.628	3.058	50	0		KGAARN
CC(=O)c1sc2nc(SCC(=O)Nc3ccc(S(=O)(=O)NC(C)(C)C)cc3)[nH]c(=O)c2c1C	ZINC000027795883	553836359	/nfs/dbraw/zinc/83/63/59/553836359.db2.gz	HUBMIYZDUNXJKU-UHFFFAOYSA-N	0	0	508.647	3.303	50	0		KGAARN
C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@@H](OC(=O)c5cccnc5)CC[C@]34C=O)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1	ZINC000028862157	553843873	/nfs/dbraw/zinc/84/38/73/553843873.db2.gz	KZDOGGYMASNQGM-SBQWKNPYSA-N	0	0	509.599	3.158	50	0	biogenic	KGAARN
O=C(C1CCN(S(=O)(=O)c2cccc3nsnc32)CC1)N1CCN(c2cccc(C(F)(F)F)c2)CC1	ZINC000029747302	553846790	/nfs/dbraw/zinc/84/67/90/553846790.db2.gz	RYQQSPCEXPJZDL-UHFFFAOYSA-N	0	0	539.605	3.460	50	0		KGAARN
COC(=O)C1=CN(CCN2C=C(C(=O)OC)C(c3cccc(OC)c3)C(C(=O)OC)=C2)C=C(C(=O)OC)C1c1cccc(OC)c1	ZINC000029747409	553847339	/nfs/dbraw/zinc/84/73/39/553847339.db2.gz	QARRAWQITWYRJI-UHFFFAOYSA-N	0	0	632.666	3.430	50	0		KGAARN
CCOC(=O)C[C@@H](NC(=O)CSc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccccc1Cl)c1ccc(OC)cc1	ZINC000029747418	553847349	/nfs/dbraw/zinc/84/73/49/553847349.db2.gz	MZGWZSFVDNONQN-OAQYLSRUSA-N	0	0	600.097	3.047	50	0		KGAARN
CCOC(=O)C[C@H](NC(=O)CSc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccccc1Cl)c1ccc(OC)cc1	ZINC000029747420	553847346	/nfs/dbraw/zinc/84/73/46/553847346.db2.gz	MZGWZSFVDNONQN-NRFANRHFSA-N	0	0	600.097	3.047	50	0		KGAARN
O=C(CSc1nc2ccc(Nc3nc(N4CCOCC4)nc(N4CCOCC4)n3)cc2s1)NCc1ccccc1	ZINC000029747557	553848267	/nfs/dbraw/zinc/84/82/67/553848267.db2.gz	GFOMPRYCYFJXKW-UHFFFAOYSA-N	0	0	578.724	3.307	50	0		KGAARN
COc1ccccc1N1CCN(S(=O)(=O)c2cc(S(=O)(=O)N3CCN(c4ccccc4OC)CC3)c3cccc4c3c2NC4=O)CC1	ZINC000029747573	553848249	/nfs/dbraw/zinc/84/82/49/553848249.db2.gz	XUFGUCCGQXSVMG-UHFFFAOYSA-N	0	0	677.805	3.445	50	0		KGAARN
O=C(Nc1cc2ccccc2cc1NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc(S(=O)(=O)N2CCOCC2)cc1	ZINC000029747695	553848548	/nfs/dbraw/zinc/84/85/48/553848548.db2.gz	HBSZRQLPFXAJRJ-UHFFFAOYSA-N	0	0	664.762	3.386	50	0		KGAARN
CC(=O)O[C@@H]1[C@H](OC(=O)c2ccc(C)cc2)[C@@H](COC(=O)c2ccc(C)cc2)O[C@@H]1n1ccc(=O)[nH]c1=S	ZINC000029747763	553848514	/nfs/dbraw/zinc/84/85/14/553848514.db2.gz	PMFZESFCGSFNDS-BUZMGHMJSA-N	0	0	538.578	3.434	50	0		KGAARN
CCCN1c2ccccc2/C(=c2/sc3n(c2=O)[C@H](c2ccc(OC(=O)c4ccco4)cc2)C(C(=O)OCCOC)=C(C)N=3)C1=O	ZINC000029747813	553848890	/nfs/dbraw/zinc/84/88/90/553848890.db2.gz	NOQRHJRECBOIJJ-IECPXTFPSA-N	0	0	627.675	3.364	50	0		KGAARN
CCCN1c2ccccc2/C(=c2/sc3n(c2=O)[C@@H](c2ccc(OC(=O)c4ccco4)cc2)C(C(=O)OCCOC)=C(C)N=3)C1=O	ZINC000029747814	553848889	/nfs/dbraw/zinc/84/88/89/553848889.db2.gz	NOQRHJRECBOIJJ-UYUFHXMSSA-N	0	0	627.675	3.364	50	0		KGAARN
CNC(=O)COc1ccc(Nc2nnc(-c3ccc(C)c(S(=O)(=O)N4CCOCC4)c3)c3ccccc32)cc1	ZINC000029747980	553849165	/nfs/dbraw/zinc/84/91/65/553849165.db2.gz	FLYGXFYHXFTYKD-UHFFFAOYSA-N	0	0	547.637	3.495	50	0		KGAARN
COc1cc(OC)cc(-n2nc(C(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)c3ccccc3c2=O)c1	ZINC000029748094	553849559	/nfs/dbraw/zinc/84/95/59/553849559.db2.gz	QKYAPUMMUUAZKO-UHFFFAOYSA-N	0	0	528.565	3.090	50	0		KGAARN
COc1ccc(CCNC(=O)CCCCCn2c(=O)c3cc4c(cc3nc2SCC(=O)NC[C@@H]2CCCO2)OCO4)cc1OC	ZINC000029748878	553850506	/nfs/dbraw/zinc/85/05/06/553850506.db2.gz	HGVBQRBYMZEPHX-QFIPXVFZSA-N	0	0	640.759	3.449	50	0		KGAARN
COc1ccc(CCNC(=O)CCCCCn2c(=O)c3cc4c(cc3nc2SCC(=O)NC[C@H]2CCCO2)OCO4)cc1OC	ZINC000029748882	553850387	/nfs/dbraw/zinc/85/03/87/553850387.db2.gz	HGVBQRBYMZEPHX-JOCHJYFZSA-N	0	0	640.759	3.449	50	0		KGAARN
COc1cc(NC(=O)c2ccccc2)c(OC)cc1NC(=O)CN1CCN(S(=O)(=O)c2ccc(F)cc2)CC1	ZINC000029748928	553850424	/nfs/dbraw/zinc/85/04/24/553850424.db2.gz	VUCIVRTVIMTGFG-UHFFFAOYSA-N	0	0	556.616	3.040	50	0		KGAARN
O=C([O-])CC[C@@H]1[NH2+][C@]2(C(=O)N(Cc3ccccc3F)c3ccccc32)[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]12	ZINC000029749036	553850824	/nfs/dbraw/zinc/85/08/24/553850824.db2.gz	HKAUWMMVQGDEAJ-GYMZGOSFSA-N	0	0	527.552	3.206	50	0		KGAARN
O=C(C[C@@H]1N=C2c3ccccc3N=C(SCC(=O)N3CCN(c4ccccc4)CC3)N2C1=O)NCc1ccc2c(c1)OCO2	ZINC000029749134	553850989	/nfs/dbraw/zinc/85/09/89/553850989.db2.gz	ZTYSBKOQJVEEDB-VWLOTQADSA-N	0	0	610.696	3.162	50	0		KGAARN
O=C(C[C@H]1N=C2c3ccccc3N=C(SCC(=O)N3CCN(c4ccccc4)CC3)N2C1=O)NCc1ccc2c(c1)OCO2	ZINC000029749139	553851036	/nfs/dbraw/zinc/85/10/36/553851036.db2.gz	ZTYSBKOQJVEEDB-RUZDIDTESA-N	0	0	610.696	3.162	50	0		KGAARN
COC(=O)c1ccccc1NC(=O)CSc1ncc(S(=O)(=O)c2ccc(Br)cc2)c(O)n1	ZINC000029749729	553852535	/nfs/dbraw/zinc/85/25/35/553852535.db2.gz	ZTZGHIHYVPDDFA-UHFFFAOYSA-N	0	0	538.401	3.295	50	0		KGAARN
COc1ccc(CN2CCN(C(=O)c3cnc4ccc(S(=O)(=O)Nc5ccccc5F)cc4c3O)CC2)c(OC)c1OC	ZINC000029749785	553852900	/nfs/dbraw/zinc/85/29/00/553852900.db2.gz	ULOVZOWAFOKHTF-UHFFFAOYSA-N	0	0	610.664	3.452	50	0		KGAARN
COc1ccc(CCNC(=O)CCn2c(=O)c3ccccc3n(CC(=O)Nc3ccc(Br)cc3F)c2=O)cc1OC	ZINC000029749874	553852920	/nfs/dbraw/zinc/85/29/20/553852920.db2.gz	RRNMDLLKXMEWLI-UHFFFAOYSA-N	0	0	627.467	3.470	50	0		KGAARN
CCCN(CCC)C(=O)Cn1c2ccccc2c(=O)n(CCCCC(=O)NCc2ccc3c(c2)OCO3)c1=O	ZINC000029749904	553852831	/nfs/dbraw/zinc/85/28/31/553852831.db2.gz	BJGRNVPDMCFLGZ-UHFFFAOYSA-N	0	0	536.629	3.027	50	0		KGAARN
COc1ccc(CCNC(=O)CCCCn2c(=O)c3ccccc3n(Cc3cc(=O)n4c(C)cccc4n3)c2=O)cc1OC	ZINC000029749925	553853193	/nfs/dbraw/zinc/85/31/93/553853193.db2.gz	ZOCOCUIGYIFPGT-UHFFFAOYSA-N	0	0	597.672	3.074	50	0		KGAARN
COc1ccc(/C=C2\Oc3ccccc3N(CC(=O)N3CCN(c4ncccn4)CC3)C2=O)cc1Br	ZINC000029750005	553853208	/nfs/dbraw/zinc/85/32/08/553853208.db2.gz	HEOSNZDUSGPFAW-KQWNVCNZSA-N	0	0	550.413	3.363	50	0		KGAARN
Cc1cccc2nc(Cn3c4cc(C(=O)NC5CCCCC5)ccc4c(=O)n(Cc4ccc5c(c4)OCO5)c3=O)cc(=O)n12	ZINC000029752505	553853379	/nfs/dbraw/zinc/85/33/79/553853379.db2.gz	KVNUCROTVGHRTI-UHFFFAOYSA-N	0	0	593.640	3.367	50	0		KGAARN
O=C(Cn1c2c3ccccc3oc2c(=O)n(Cc2ccc3c(c2)OCO3)c1=O)Nc1ccc2c(c1)OCCO2	ZINC000029752521	553853747	/nfs/dbraw/zinc/85/37/47/553853747.db2.gz	AXAJSQRNMPDLJZ-UHFFFAOYSA-N	0	0	527.489	3.096	50	0		KGAARN
Cc1sc2ncn(CC(=O)Nc3ccc(Oc4ccccc4)cc3)c(=O)c2c1S(=O)(=O)N1CCN(c2ncccn2)CC1	ZINC000029752612	553854050	/nfs/dbraw/zinc/85/40/50/553854050.db2.gz	BQXJTEOEHNJMCO-UHFFFAOYSA-N	0	0	617.713	3.498	50	0		KGAARN
CCOC(=O)C1CCN(C(=O)[C@H]2c3cc(OC)c(OC)cc3C(=O)N(C)[C@@H]2c2ccc(OC)c(OC)c2)CC1	ZINC000029752882	553854697	/nfs/dbraw/zinc/85/46/97/553854697.db2.gz	RSRGZCAMSZPUBW-IZZNHLLZSA-N	0	0	540.613	3.433	50	0		KGAARN
CCOC(=O)C1CCN(C(=O)[C@@H]2c3cc(OC)c(OC)cc3C(=O)N(C)[C@@H]2c2ccc(OC)c(OC)c2)CC1	ZINC000029752884	553854844	/nfs/dbraw/zinc/85/48/44/553854844.db2.gz	RSRGZCAMSZPUBW-CLJLJLNGSA-N	0	0	540.613	3.433	50	0		KGAARN
CCOC(=O)C1CCN(C(=O)[C@H]2c3cc(OC)c(OC)cc3C(=O)N(C)[C@H]2c2ccc(OC)c(OC)c2)CC1	ZINC000029752886	553854698	/nfs/dbraw/zinc/85/46/98/553854698.db2.gz	RSRGZCAMSZPUBW-UIOOFZCWSA-N	0	0	540.613	3.433	50	0		KGAARN
CCOC(=O)C1CCN(C(=O)[C@@H]2c3cc(OC)c(OC)cc3C(=O)N(C)[C@H]2c2ccc(OC)c(OC)c2)CC1	ZINC000029752888	553854829	/nfs/dbraw/zinc/85/48/29/553854829.db2.gz	RSRGZCAMSZPUBW-FTJBHMTQSA-N	0	0	540.613	3.433	50	0		KGAARN
NS(=O)(=O)c1ccc(CCNC(=O)CSc2nc3ccsc3c(=O)n2CCCCCC(=O)NCCc2ccccc2)cc1	ZINC000029752989	553855131	/nfs/dbraw/zinc/85/51/31/553855131.db2.gz	LDUGZPAUDFPIIV-UHFFFAOYSA-N	0	0	641.841	3.476	50	0		KGAARN
CC(C)[C@H](NC(=O)c1cnccc1C(=O)Nc1ccc2c(c1)OCO2)C(=O)Nc1ccc2c(c1)OCO2	ZINC000030822659	553857059	/nfs/dbraw/zinc/85/70/59/553857059.db2.gz	IPDVNMWZNOJQNR-QHCPKHFHSA-N	0	0	504.499	3.184	50	0		KGAARN
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C[C@H]2CCCO2)c1=NC(=O)c1ccc(OCC)cc1	ZINC000031937083	1059550797	/nfs/dbraw/zinc/55/07/97/1059550797.db2.gz	TUUVAJPXSXBTQO-HXUWFJFHSA-N	0	0	516.554	3.145	50	0		KGAARN
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C[C@@H]2CCCO2)c1=NC(=O)c1cc(C)cc(C)c1	ZINC000031937086	1059550876	/nfs/dbraw/zinc/55/08/76/1059550876.db2.gz	QGHUYHGOZVVEIF-FQEVSTJZSA-N	0	0	500.555	3.363	50	0		KGAARN
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C[C@H]2CCCO2)c1=NC(=O)c1ccccc1OCC	ZINC000031937092	1059550770	/nfs/dbraw/zinc/55/07/70/1059550770.db2.gz	HJXIYQXIWYBSBY-GOSISDBHSA-N	0	0	516.554	3.145	50	0		KGAARN
CCCCCCOc1ccc(O[C@@H]2O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]2OC(C)=O)cc1	ZINC000032109424	553863150	/nfs/dbraw/zinc/86/31/50/553863150.db2.gz	SAIBZJRVPYUMMD-PUHDZGQXSA-N	0	0	524.563	3.108	50	0	biogenic	KGAARN
COc1ccc(NS(=O)(=O)c2ccc(NS(=O)(=O)c3ccc4c(c3)OCCO4)cc2)c(OC)c1	ZINC000032109989	553863552	/nfs/dbraw/zinc/86/35/52/553863552.db2.gz	RCJNHDMHVRQLQY-UHFFFAOYSA-N	0	0	506.558	3.077	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cn(C)c4ccccc34)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1	ZINC000032189097	553866988	/nfs/dbraw/zinc/86/69/88/553866988.db2.gz	ABLFNUXKRXJKBS-AQIZGWBQSA-N	0	0	517.607	3.307	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cn(C)c4ccccc34)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1	ZINC000032189099	553866962	/nfs/dbraw/zinc/86/69/62/553866962.db2.gz	ABLFNUXKRXJKBS-ZDGAQAAHSA-N	0	0	517.607	3.307	50	0		KGAARN
NS(=O)(=O)c1ccc(NC(=S)Nc2ccc(S(=O)(=O)N3CCCc4ccccc43)cc2)cc1	ZINC000032578449	553869341	/nfs/dbraw/zinc/86/93/41/553869341.db2.gz	KOWXSSKXABAXNX-UHFFFAOYSA-N	0	0	502.643	3.284	50	0		KGAARN
COc1ccccc1CNC(=O)c1cnccc1C(=O)N[C@H](C(=O)NCc1ccccc1OC)C(C)C	ZINC000032646463	553872153	/nfs/dbraw/zinc/87/21/53/553872153.db2.gz	HYCAJRVWUFMSRF-VWLOTQADSA-N	0	0	504.587	3.100	50	0		KGAARN
CC(C)[C@H](NC(=O)c1ccncc1C(=O)NCCc1ccc(F)cc1)C(=O)NCCc1ccc(F)cc1	ZINC000032646465	553872092	/nfs/dbraw/zinc/87/20/92/553872092.db2.gz	MBPLWSGLRDEKDM-VWLOTQADSA-N	0	0	508.569	3.446	50	0		KGAARN
CCN(C(=O)COC(=O)c1ccccc1Nc1ccccc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	ZINC000032666477	553872422	/nfs/dbraw/zinc/87/24/22/553872422.db2.gz	AWNVAVZJGGHZKK-UHFFFAOYSA-N	0	0	513.554	3.121	50	0		KGAARN
CCN(C(=O)COC(=O)c1ccccc1Oc1ccccc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	ZINC000032666484	553872432	/nfs/dbraw/zinc/87/24/32/553872432.db2.gz	YNEVTQJJZODBLC-UHFFFAOYSA-N	0	0	514.538	3.169	50	0		KGAARN
CCN(C(=O)COC(=O)CSc1ccc2ccccc2c1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	ZINC000032666489	553872488	/nfs/dbraw/zinc/87/24/88/553872488.db2.gz	FYDXHYZWXMXOIB-UHFFFAOYSA-N	0	0	518.595	3.009	50	0		KGAARN
Cc1c2ccccc2oc1C(=O)OCC(=O)N(CC(C)C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	ZINC000032666517	553872853	/nfs/dbraw/zinc/87/28/53/553872853.db2.gz	CRMCDZKRQHJZLX-UHFFFAOYSA-N	0	0	504.543	3.068	50	0		KGAARN
CCN(C(=O)COC(=O)C=Cc1ccc(Cl)c(Cl)c1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	ZINC000032666522	553872904	/nfs/dbraw/zinc/87/29/04/553872904.db2.gz	FDKAWRMCPCJHBL-PKNBQFBNSA-N	0	0	517.369	3.083	50	0		KGAARN
Cc1ccc(S(=O)(=O)N2CCN(C(=O)COC(=O)/C=C/c3ccc(C(F)(F)F)cc3)CC2)c(C)c1	ZINC000032669990	553873108	/nfs/dbraw/zinc/87/31/08/553873108.db2.gz	BVPAQTOJZBCAIX-UXBLZVDNSA-N	0	0	510.534	3.412	50	0		KGAARN
COCCn1c(=O)c2c(-c3ccc(F)cc3)csc2nc1SCC(=O)NCCCN1CCCC1=O	ZINC000032670110	553873119	/nfs/dbraw/zinc/87/31/19/553873119.db2.gz	KKDSIEYGKVZGLE-UHFFFAOYSA-N	0	0	518.636	3.131	50	0		KGAARN
C[C@@H](OC(=O)c1ccc(Cl)c(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)c1)C(=O)N[C@@H]1CCCC[C@@H]1C	ZINC000032670246	553873140	/nfs/dbraw/zinc/87/31/40/553873140.db2.gz	OENMYQFODNMISZ-VMNRDUPSSA-N	0	0	501.045	3.378	50	0		KGAARN
C[C@@H](OC(=O)c1ccc(Cl)c(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)c1)C(=O)N[C@@H]1CCCC[C@@H]1C	ZINC000032670248	553873104	/nfs/dbraw/zinc/87/31/04/553873104.db2.gz	OENMYQFODNMISZ-GXAQHZSOSA-N	0	0	501.045	3.378	50	0		KGAARN
O=C(c1ccc(-n2cnc3ccccc3c2=O)cc1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1	ZINC000032717012	553873552	/nfs/dbraw/zinc/87/35/52/553873552.db2.gz	PWJWILMLWKNBCC-UHFFFAOYSA-N	0	0	508.987	3.186	50	0		KGAARN
O=C(c1ccc(-n2cnc3ccccc3c2=O)cc1)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1	ZINC000032719568	553873536	/nfs/dbraw/zinc/87/35/36/553873536.db2.gz	HNXVAOYYNVEOIX-UHFFFAOYSA-N	0	0	508.987	3.186	50	0		KGAARN
COc1ccc(CCNC(=O)c2ccc(NC(=O)Cc3sc(N4CCCCC4)nc3O)cc2)cc1OC	ZINC000032727072	553873764	/nfs/dbraw/zinc/87/37/64/553873764.db2.gz	BDLHMZKBCCQAQP-QHCPKHFHSA-N	0	0	524.643	3.489	50	0		KGAARN
COc1ccc(CCNC(=O)c2ccc(NC(=O)Cc3sc(N4CCCCC4)nc3O)cc2)cc1OC	ZINC000032727075	553873740	/nfs/dbraw/zinc/87/37/40/553873740.db2.gz	BDLHMZKBCCQAQP-HSZRJFAPSA-N	0	0	524.643	3.489	50	0		KGAARN
COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C1CCN(c2ncnc3sc(C)c(C)c32)CC1	ZINC000032727242	553873775	/nfs/dbraw/zinc/87/37/75/553873775.db2.gz	ZPQPVQTUYQVBKG-UHFFFAOYSA-N	0	0	503.650	3.422	50	0		KGAARN
COC(=O)c1ccc(C(=O)OC)c(NC(=O)COC(=O)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)c1	ZINC000032731754	553874167	/nfs/dbraw/zinc/87/41/67/553874167.db2.gz	TYWAWGBZLUNCCO-UHFFFAOYSA-N	0	0	523.464	3.072	50	0		KGAARN
COc1ccc(CCNC(=O)c2ccc(NC(=O)Cc3sc(N4CCCC4)nc3O)cc2)cc1OC	ZINC000032735821	553874293	/nfs/dbraw/zinc/87/42/93/553874293.db2.gz	GJXUNIOGZUXSRY-QFIPXVFZSA-N	0	0	510.616	3.099	50	0		KGAARN
COc1ccc(CCNC(=O)c2ccc(NC(=O)Cc3sc(N4CCCC4)nc3O)cc2)cc1OC	ZINC000032735822	553874229	/nfs/dbraw/zinc/87/42/29/553874229.db2.gz	GJXUNIOGZUXSRY-JOCHJYFZSA-N	0	0	510.616	3.099	50	0		KGAARN
COc1ccc(CCN(C)C(=O)c2ccc(NC(=O)Cc3sc(N4CCCC4)nc3O)cc2)cc1OC	ZINC000032735823	553874149	/nfs/dbraw/zinc/87/41/49/553874149.db2.gz	ONAVVVAVOZSSBR-QHCPKHFHSA-N	0	0	524.643	3.441	50	0		KGAARN
COc1ccc(CCN(C)C(=O)c2ccc(NC(=O)Cc3sc(N4CCCC4)nc3O)cc2)cc1OC	ZINC000032735824	553874205	/nfs/dbraw/zinc/87/42/05/553874205.db2.gz	ONAVVVAVOZSSBR-HSZRJFAPSA-N	0	0	524.643	3.441	50	0		KGAARN
CCOC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(-n4cnc5ccccc54)cc3)CC2)cc1	ZINC000032736274	553874282	/nfs/dbraw/zinc/87/42/82/553874282.db2.gz	XMRSQVIGJQFMRS-UHFFFAOYSA-N	0	0	518.595	3.349	50	0		KGAARN
O=C(c1ccc(-n2cnc3ccccc32)cc1)N1CCN(S(=O)(=O)c2cccc3nsnc32)CC1	ZINC000032736301	553874162	/nfs/dbraw/zinc/87/41/62/553874162.db2.gz	ZJYHSXOZJPNASF-UHFFFAOYSA-N	0	0	504.597	3.177	50	0		KGAARN
O=C(c1ccc(N2CCCCC2=O)cc1)N1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1	ZINC000032784623	553874844	/nfs/dbraw/zinc/87/48/44/553874844.db2.gz	QMTKKMXZWGHDDT-UHFFFAOYSA-N	0	0	506.422	3.113	50	0		KGAARN
O=C(c1ccc(N2CCCCC2=O)cc1)N1CCN(S(=O)(=O)c2ccccc2Br)CC1	ZINC000032784710	553874818	/nfs/dbraw/zinc/87/48/18/553874818.db2.gz	YUDYOASWEMNJEQ-UHFFFAOYSA-N	0	0	506.422	3.113	50	0		KGAARN
CCOc1ccc(/C=C2\SC(=O)N(CCNC(=O)C[C@@H](NC(N)=O)c3ccccc3C)C2=O)cc1OC	ZINC000032796462	1059551626	/nfs/dbraw/zinc/55/16/26/1059551626.db2.gz	WGNCCVOXGKKGTE-HBEGMLAUSA-N	0	0	526.615	3.355	50	0		KGAARN
CCOc1ccc(/C=C2\SC(=O)N(CCNC(=O)C[C@H](NC(N)=O)c3ccccc3C)C2=O)cc1OC	ZINC000032796463	1059134630	/nfs/dbraw/zinc/13/46/30/1059134630.db2.gz	WGNCCVOXGKKGTE-MAGMUUGSSA-N	0	0	526.615	3.355	50	0		KGAARN
CCOc1ccc(/C=C2\SC(=O)N(CCNC(=O)C[C@@H](NC(N)=O)c3cccc(C)c3)C2=O)cc1OC	ZINC000032796464	1059135635	/nfs/dbraw/zinc/13/56/35/1059135635.db2.gz	WNXNOTRKYMXDOB-HBEGMLAUSA-N	0	0	526.615	3.355	50	0		KGAARN
CCOc1ccc(/C=C2\SC(=O)N(CCNC(=O)C[C@H](NC(N)=O)c3cccc(C)c3)C2=O)cc1OC	ZINC000032796465	1059551595	/nfs/dbraw/zinc/55/15/95/1059551595.db2.gz	WNXNOTRKYMXDOB-MAGMUUGSSA-N	0	0	526.615	3.355	50	0		KGAARN
O=C(COC(=O)c1cc(Cl)ccc1Cl)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1	ZINC000032797434	553875107	/nfs/dbraw/zinc/87/51/07/553875107.db2.gz	FDJXMWTTYONZDP-UHFFFAOYSA-N	0	0	507.779	3.463	50	0		KGAARN
COC(=O)c1cc(-c2ccc(C)cc2)n(-c2nc3c(c(=O)n(C)c(=O)n3C)n2CCCc2ccccc2)n1	ZINC000032824441	553875306	/nfs/dbraw/zinc/87/53/06/553875306.db2.gz	JKECZBNKCGYWRU-UHFFFAOYSA-N	0	0	512.570	3.014	50	0		KGAARN
COC(=O)c1cc(-c2ccc(C)cc2)n(-c2nc3c(c(=O)n(C)c(=O)n3C)n2C/C=C/c2ccccc2)n1	ZINC000032824443	553875302	/nfs/dbraw/zinc/87/53/02/553875302.db2.gz	LLZAAKLYEGOGPN-DHZHZOJOSA-N	0	0	510.554	3.095	50	0		KGAARN
Cc1ccc(S(=O)(=O)N2CCN(C(=O)COC(=O)C(C)(C)Oc3ccc(Cl)cc3)CC2)c(C)c1	ZINC000032838762	553875295	/nfs/dbraw/zinc/87/52/95/553875295.db2.gz	COYHIHTWMCBYPQ-UHFFFAOYSA-N	0	0	509.024	3.191	50	0		KGAARN
CCN(CC)S(=O)(=O)c1ccc(NC(=O)CN2C(=O)N[C@@](C)(c3ccc4ccccc4c3)C2=O)cc1	ZINC000032859562	553875532	/nfs/dbraw/zinc/87/55/32/553875532.db2.gz	XOAVYJXIHDTMSG-SANMLTNESA-N	0	0	508.600	3.276	50	0		KGAARN
CCN(CC)S(=O)(=O)c1ccc(NC(=O)CN2C(=O)N[C@](C)(c3ccc4ccccc4c3)C2=O)cc1	ZINC000032859563	553875573	/nfs/dbraw/zinc/87/55/73/553875573.db2.gz	XOAVYJXIHDTMSG-AREMUKBSSA-N	0	0	508.600	3.276	50	0		KGAARN
COc1cc(C=CC(=O)OCC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)cc(OC)c1OC	ZINC000032859684	553875558	/nfs/dbraw/zinc/87/55/58/553875558.db2.gz	SMNDJXKYIPAXNK-KPKJPENVSA-N	0	0	503.573	3.326	50	0		KGAARN
O=C(COC(=O)C1(c2ccccc2F)CCCC1)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1	ZINC000032876722	553875599	/nfs/dbraw/zinc/87/55/99/553875599.db2.gz	BBZBJOKTOIGDEU-UHFFFAOYSA-N	0	0	524.998	3.494	50	0		KGAARN
CCC(=O)c1ccc(OCC(=O)OCC(=O)Nc2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)cc1	ZINC000032910327	553875887	/nfs/dbraw/zinc/87/58/87/553875887.db2.gz	XKDVJLYLSGDYQI-UHFFFAOYSA-N	0	0	502.589	3.323	50	0		KGAARN
COc1ccc2oc(C(=O)OCC(=O)N3CCN(S(=O)(=O)c4ccc(C)cc4C)CC3)c(C)c2c1	ZINC000032910479	553875854	/nfs/dbraw/zinc/87/58/54/553875854.db2.gz	VGFJFOTVXFVDKF-UHFFFAOYSA-N	0	0	500.573	3.057	50	0		KGAARN
CCCOc1ccc(C(=O)CCC(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3C)CC2)cc1	ZINC000032910517	553875914	/nfs/dbraw/zinc/87/59/14/553875914.db2.gz	WGWGEABQHGPZHL-UHFFFAOYSA-N	0	0	530.643	3.131	50	0		KGAARN
CCCCNc1nnc(SCC(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)s1	ZINC000032910553	553875880	/nfs/dbraw/zinc/87/58/80/553875880.db2.gz	SBRAAZCSKFNTJG-UHFFFAOYSA-N	0	0	506.075	3.155	50	0		KGAARN
CC(=O)N[C@@H](CC(=O)OCC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl)c1ccccc1	ZINC000032910704	553875852	/nfs/dbraw/zinc/87/58/52/553875852.db2.gz	MVJDQNLSQNTAPC-NRFANRHFSA-N	0	0	522.023	3.264	50	0		KGAARN
CC(=O)N[C@H](CC(=O)OCC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl)c1ccccc1	ZINC000032910705	553876229	/nfs/dbraw/zinc/87/62/29/553876229.db2.gz	MVJDQNLSQNTAPC-OAQYLSRUSA-N	0	0	522.023	3.264	50	0		KGAARN
CCOC(=O)c1c(C)c(C(=O)N(C)C)sc1NC(=O)COC(=O)CCCOc1ccc(OC)cc1	ZINC000032910752	553876208	/nfs/dbraw/zinc/87/62/08/553876208.db2.gz	PELBSKAGVPLIQW-UHFFFAOYSA-N	0	0	506.577	3.285	50	0		KGAARN
CCN(C(=O)CSc1nc2ccccc2n1CC(C)C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	ZINC000032911104	553876216	/nfs/dbraw/zinc/87/62/16/553876216.db2.gz	BHEZBKRCAZGOHJ-UHFFFAOYSA-N	0	0	506.632	3.318	50	0		KGAARN
CCn1c(SCC(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)nnc1-c1ccccc1	ZINC000032911170	553876223	/nfs/dbraw/zinc/87/62/23/553876223.db2.gz	STBRUHVDYXUTOH-UHFFFAOYSA-N	0	0	522.052	3.370	50	0		KGAARN
COc1cc(OC)cc(C(=O)Nc2ccc(C(=O)N3CCN(C(=O)Cc4ccc(F)cc4)CC3)c(O)c2)c1	ZINC000032914648	553876497	/nfs/dbraw/zinc/87/64/97/553876497.db2.gz	WQOSVSVXSVBVII-UHFFFAOYSA-N	0	0	521.545	3.328	50	0		KGAARN
O=C(COC(=O)c1ccc(Cl)c(Cl)c1)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1	ZINC000032943309	553876847	/nfs/dbraw/zinc/87/68/47/553876847.db2.gz	AXDRFIQDNOCVSK-UHFFFAOYSA-N	0	0	507.779	3.463	50	0		KGAARN
Cc1noc(/C=C/c2ccc(C)cc2)c1S(=O)(=O)N1CCC[C@@H](C(=O)N2CCC3(CC2)OCCO3)C1	ZINC000032944071	553877045	/nfs/dbraw/zinc/87/70/45/553877045.db2.gz	XVPAXTWGTZGJMO-DGSRBQDKSA-N	0	0	515.632	3.228	50	0		KGAARN
Cc1noc(/C=C/c2ccc(C)cc2)c1S(=O)(=O)N1CCC[C@H](C(=O)N2CCC3(CC2)OCCO3)C1	ZINC000032944072	553877056	/nfs/dbraw/zinc/87/70/56/553877056.db2.gz	XVPAXTWGTZGJMO-CZQLGGELSA-N	0	0	515.632	3.228	50	0		KGAARN
Cc1noc(/C=C/c2ccccc2F)c1S(=O)(=O)N1CCC[C@@H](C(=O)N2CCC3(CC2)OCCO3)C1	ZINC000032944135	553877320	/nfs/dbraw/zinc/87/73/20/553877320.db2.gz	VPYCPQGDTJHUQX-NDDJGDGRSA-N	0	0	519.595	3.059	50	0		KGAARN
Cc1noc(/C=C/c2ccccc2F)c1S(=O)(=O)N1CCC[C@H](C(=O)N2CCC3(CC2)OCCO3)C1	ZINC000032944136	553877582	/nfs/dbraw/zinc/87/75/82/553877582.db2.gz	VPYCPQGDTJHUQX-IBDYFIJFSA-N	0	0	519.595	3.059	50	0		KGAARN
COc1ccccc1CNC(=O)COC(=O)C1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1	ZINC000032945034	553879770	/nfs/dbraw/zinc/87/97/70/553879770.db2.gz	ZUNJQRMACIACJJ-UHFFFAOYSA-N	0	0	515.415	3.262	50	0		KGAARN
Cc1nc(-c2ccc(C)c(S(=O)(=O)N3CCC(C(=O)N4CCN(c5ccccc5)CC4)CC3)c2)no1	ZINC000032954004	553881207	/nfs/dbraw/zinc/88/12/07/553881207.db2.gz	KDDLONSMBIHJSX-UHFFFAOYSA-N	0	0	509.632	3.103	50	0		KGAARN
Cc1nc(-c2ccc(C)c(S(=O)(=O)N3CCC(C(=O)N4CCN(c5ccc(F)cc5)CC4)CC3)c2)no1	ZINC000032954006	553881278	/nfs/dbraw/zinc/88/12/78/553881278.db2.gz	PCHXPVNNUMUMCE-UHFFFAOYSA-N	0	0	527.622	3.242	50	0		KGAARN
Cc1nc(-c2ccc(C)c(S(=O)(=O)N3CCC(C(=O)N4CCN(c5ccccc5F)CC4)CC3)c2)no1	ZINC000032954009	553881253	/nfs/dbraw/zinc/88/12/53/553881253.db2.gz	PAHQJDONHNGGLV-UHFFFAOYSA-N	0	0	527.622	3.242	50	0		KGAARN
CCc1nc(-c2ccc(C)c(S(=O)(=O)N3CCC(C(=O)N4CCN(c5ccccc5)CC4)CC3)c2)no1	ZINC000032954013	553881275	/nfs/dbraw/zinc/88/12/75/553881275.db2.gz	XAVQPPKNJDEALN-UHFFFAOYSA-N	0	0	523.659	3.357	50	0		KGAARN
CCc1nc(-c2cccc(S(=O)(=O)N3CCC(C(=O)N4CCN(c5ccccc5)CC4)CC3)c2)no1	ZINC000032954017	553881263	/nfs/dbraw/zinc/88/12/63/553881263.db2.gz	QCBJOJCQKOWQDL-UHFFFAOYSA-N	0	0	509.632	3.049	50	0		KGAARN
CCCOc1ccc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3C)CC2)cc1OCC	ZINC000032957535	553881467	/nfs/dbraw/zinc/88/14/67/553881467.db2.gz	XCUYHDBEWJPKSY-UHFFFAOYSA-N	0	0	518.632	3.181	50	0		KGAARN
CC(C)CN(C(=O)Cn1c2ccccc2nc1C(F)(F)F)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	ZINC000032957807	553881420	/nfs/dbraw/zinc/88/14/20/553881420.db2.gz	JUQZZRHSWBNRLX-UHFFFAOYSA-N	0	0	514.508	3.225	50	0		KGAARN
CCN(CC)S(=O)(=O)c1ccc(NC(=O)CN2C(=O)N[C@@](C)(c3ccc(C(C)C)cc3)C2=O)cc1	ZINC000032958248	553881485	/nfs/dbraw/zinc/88/14/85/553881485.db2.gz	PTJABINBKYCKFO-VWLOTQADSA-N	0	0	500.621	3.246	50	0		KGAARN
CCN(CC)S(=O)(=O)c1ccc(NC(=O)CN2C(=O)N[C@](C)(c3ccc(C(C)C)cc3)C2=O)cc1	ZINC000032958249	553881446	/nfs/dbraw/zinc/88/14/46/553881446.db2.gz	PTJABINBKYCKFO-RUZDIDTESA-N	0	0	500.621	3.246	50	0		KGAARN
COc1cc(OC)c(NC(=O)C2CCN(S(=O)(=O)c3cc4c(cc3C)NC(=O)CO4)CC2)cc1Cl	ZINC000032958538	553881750	/nfs/dbraw/zinc/88/17/50/553881750.db2.gz	JIHMHEFAHIZMGF-UHFFFAOYSA-N	0	0	523.995	3.036	50	0		KGAARN
COc1cc(Cl)c(NC(=O)C2CCN(S(=O)(=O)c3cc4c(cc3C)NC(=O)CO4)CC2)c(OC)c1	ZINC000032958655	553881740	/nfs/dbraw/zinc/88/17/40/553881740.db2.gz	FEPOQHWYPFUXRJ-UHFFFAOYSA-N	0	0	523.995	3.036	50	0		KGAARN
O=C(C1CCN(S(=O)(=O)c2cc3c(cc2Cl)NC(=O)CO3)CC1)N1CC=C(c2ccccc2)CC1	ZINC000032958787	553881790	/nfs/dbraw/zinc/88/17/90/553881790.db2.gz	ODPITLWEPFRWON-UHFFFAOYSA-N	0	0	516.019	3.388	50	0		KGAARN
COc1ccc(NC(=O)C2CCN(S(=O)(=O)c3cc4c(cc3Cl)NC(=O)CO4)CC2)cc1Cl	ZINC000032958820	553881708	/nfs/dbraw/zinc/88/17/08/553881708.db2.gz	AJDUTHAXIVFLPN-UHFFFAOYSA-N	0	0	514.387	3.372	50	0		KGAARN
CCOc1ccc(N(C)C(=O)C2CCN(S(=O)(=O)c3cc4c(cc3Cl)NC(=O)CO4)CC2)cc1	ZINC000032958840	553881785	/nfs/dbraw/zinc/88/17/85/553881785.db2.gz	YUMXCOKWCWWYQF-UHFFFAOYSA-N	0	0	507.996	3.133	50	0		KGAARN
CCN(C(=O)C1CCN(S(=O)(=O)c2cc3c(cc2Cl)NC(=O)CO3)CC1)c1ccc(OC)cc1	ZINC000032958842	553881735	/nfs/dbraw/zinc/88/17/35/553881735.db2.gz	IJDKHLJTGNYQQS-UHFFFAOYSA-N	0	0	507.996	3.133	50	0		KGAARN
COC(=O)c1ccc2c(c1)[n-]c(=S)n(CCC(=O)NCC1CC[NH+](Cc3ccccc3F)CC1)c2=O	ZINC000032959243	553881853	/nfs/dbraw/zinc/88/18/53/553881853.db2.gz	WWJCIXAMIYUKMX-UHFFFAOYSA-N	0	0	512.607	3.029	50	0		KGAARN
COC(=O)c1ccc2c(c1)[nH]c(=S)n(-c1ccc(C(=O)N3CCN(Cc4ccccc4)CC3)cc1)c2=O	ZINC000032959294	553881835	/nfs/dbraw/zinc/88/18/35/553881835.db2.gz	JVFUBWOPZOFJKQ-UHFFFAOYSA-N	0	0	514.607	3.419	50	0		KGAARN
COC(=O)c1ccc2c(c1)[nH]c(=S)n(-c1ccc(C(=O)NCc3ccc(OC)c(OC)c3)cc1)c2=O	ZINC000032959306	553881909	/nfs/dbraw/zinc/88/19/09/553881909.db2.gz	IHFVFEPJRXGMDZ-UHFFFAOYSA-N	0	0	505.552	3.408	50	0		KGAARN
COC(=O)c1ccc2c(c1)[nH]c(=S)n(-c1cccc(C(=O)N3CCN(c4ccccc4)CC3)c1)c2=O	ZINC000032959315	553881834	/nfs/dbraw/zinc/88/18/34/553881834.db2.gz	KSEFGWOVPHCHEP-UHFFFAOYSA-N	0	0	500.580	3.423	50	0		KGAARN
COC(=O)c1ccc2c(c1)[nH]c(=S)n(-c1cccc(C(=O)NCc3ccc(OC)c(OC)c3)c1)c2=O	ZINC000032959322	553881936	/nfs/dbraw/zinc/88/19/36/553881936.db2.gz	JSDHIGPZZMPGFU-UHFFFAOYSA-N	0	0	505.552	3.408	50	0		KGAARN
CCCN(CC(=O)Nc1ccccc1C)C(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1	ZINC000032960955	553882345	/nfs/dbraw/zinc/88/23/45/553882345.db2.gz	VEVPYPVHWDRYAZ-UHFFFAOYSA-N	0	0	515.632	3.044	50	0		KGAARN
CCCN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCCC1	ZINC000032960972	553882358	/nfs/dbraw/zinc/88/23/58/553882358.db2.gz	NYSJAGMACKIRJA-UHFFFAOYSA-N	0	0	526.581	3.445	50	0		KGAARN
COc1cccc(CN(C)C(=O)c2cccc(S(=O)(=O)N3CCN(Cc4ccccc4)CC3)c2)c1OC	ZINC000032964152	553882423	/nfs/dbraw/zinc/88/24/23/553882423.db2.gz	PAPGWSJQNKUAIP-UHFFFAOYSA-N	0	0	523.655	3.483	50	0		KGAARN
COc1cccc(CN(C)C(=O)c2cccc(S(=O)(=O)N3CCN(c4ccccc4)CC3)c2)c1OC	ZINC000032964163	553882432	/nfs/dbraw/zinc/88/24/32/553882432.db2.gz	SEYHCQONKJSYPT-UHFFFAOYSA-N	0	0	509.628	3.487	50	0		KGAARN
COc1cccc(NC(=O)CN(C)C(=O)C2CCC(C(=O)N(C)CC(=O)Nc3cccc(OC)c3)CC2)c1	ZINC000032966470	553882479	/nfs/dbraw/zinc/88/24/79/553882479.db2.gz	LXIULMUFNVBIPW-UHFFFAOYSA-N	0	0	524.618	3.004	50	0		KGAARN
CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1	ZINC000032966576	553882460	/nfs/dbraw/zinc/88/24/60/553882460.db2.gz	GWTZIRWAPUHLMR-UHFFFAOYSA-N	0	0	519.929	3.090	50	0		KGAARN
COc1ccc(Cl)cc1NC(=O)CN(C)C(=O)CN1C(=O)N[C@@](C)(c2ccc3ccccc3c2)C1=O	ZINC000032966601	553882442	/nfs/dbraw/zinc/88/24/42/553882442.db2.gz	JZIPOJFPSUMEFP-SANMLTNESA-N	0	0	508.962	3.366	50	0		KGAARN
COc1ccc(Cl)cc1NC(=O)CN(C)C(=O)CN1C(=O)N[C@](C)(c2ccc3ccccc3c2)C1=O	ZINC000032966603	553882410	/nfs/dbraw/zinc/88/24/10/553882410.db2.gz	JZIPOJFPSUMEFP-AREMUKBSSA-N	0	0	508.962	3.366	50	0		KGAARN
CN(CC(=O)Nc1cccc(F)c1)C(=O)c1cccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)c1	ZINC000032967168	553882748	/nfs/dbraw/zinc/88/27/48/553882748.db2.gz	KABGMURCGUBZDV-UHFFFAOYSA-N	0	0	524.618	3.043	50	0		KGAARN
CN(CC(=O)Nc1cccc(F)c1)C(=O)C1CCC(C(=O)N(C)CC(=O)Nc2cccc(F)c2)CC1	ZINC000032967173	553882753	/nfs/dbraw/zinc/88/27/53/553882753.db2.gz	SFRKRESKPFKBQG-UHFFFAOYSA-N	0	0	500.546	3.265	50	0		KGAARN
CN(CCOc1ccc(Cl)cc1)C(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1	ZINC000032967373	553882788	/nfs/dbraw/zinc/88/27/88/553882788.db2.gz	DENJLCSAIOSGMT-UHFFFAOYSA-N	0	0	508.040	3.112	50	0		KGAARN
COc1ccc([C@@H](CNC(=O)[C@@H](CCSC)NC(=O)c2ccccc2Cl)N2CCOCC2)cc1	ZINC000032969164	553882958	/nfs/dbraw/zinc/88/29/58/553882958.db2.gz	LOFVRFUJKRVMRM-DHIUTWEWSA-N	0	0	506.068	3.390	50	0		KGAARN
COc1ccc([C@H](CNC(=O)[C@@H](CCSC)NC(=O)c2ccccc2Cl)N2CCOCC2)cc1	ZINC000032969165	553882938	/nfs/dbraw/zinc/88/29/38/553882938.db2.gz	LOFVRFUJKRVMRM-PKTZIBPZSA-N	0	0	506.068	3.390	50	0		KGAARN
COc1ccc([C@@H](CNC(=O)[C@H](CCSC)NC(=O)c2ccccc2Cl)N2CCOCC2)cc1	ZINC000032969167	553882934	/nfs/dbraw/zinc/88/29/34/553882934.db2.gz	LOFVRFUJKRVMRM-XZOQPEGZSA-N	0	0	506.068	3.390	50	0		KGAARN
COc1ccc([C@H](CNC(=O)[C@H](CCSC)NC(=O)c2ccccc2Cl)N2CCOCC2)cc1	ZINC000032969169	553882916	/nfs/dbraw/zinc/88/29/16/553882916.db2.gz	LOFVRFUJKRVMRM-GOTSBHOMSA-N	0	0	506.068	3.390	50	0		KGAARN
Cc1ccc(S(=O)(=O)N(CCC(=O)N[C@H](C)c2ccc(S(N)(=O)=O)cc2)c2ccccc2)cc1	ZINC000032971711	553882940	/nfs/dbraw/zinc/88/29/40/553882940.db2.gz	OLPKEBLXZWYCDF-LJQANCHMSA-N	0	0	501.630	3.105	50	0		KGAARN
Cc1ccc(S(=O)(=O)N(CCC(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)c2ccccc2)cc1	ZINC000032971713	553882924	/nfs/dbraw/zinc/88/29/24/553882924.db2.gz	OLPKEBLXZWYCDF-IBGZPJMESA-N	0	0	501.630	3.105	50	0		KGAARN
CN(C)C(=O)c1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCN(Cc4ccccc4)CC3)c2)cc1	ZINC000032971901	553882920	/nfs/dbraw/zinc/88/29/20/553882920.db2.gz	ALCHRELPEPNISJ-UHFFFAOYSA-N	0	0	506.628	3.147	50	0		KGAARN
Cc1c2cccc(Cl)c2oc1C(=O)N(C)CC(=O)N(CC(C)C)c1c(N)n(CC(C)C)c(=O)[nH]c1=O	ZINC000032971929	553883206	/nfs/dbraw/zinc/88/32/06/553883206.db2.gz	GRTIYRULFAUADG-UHFFFAOYSA-N	0	0	518.014	3.244	50	0		KGAARN
CC(C)CN(C(=O)CN(C)C(=O)C=Cc1cccc(Cl)c1Cl)c1c(N)n(CC(C)C)c(=O)[nH]c1=O	ZINC000032971959	553883318	/nfs/dbraw/zinc/88/33/18/553883318.db2.gz	FGTMRCDLIXOMEQ-MDZDMXLPSA-N	0	0	524.449	3.242	50	0		KGAARN
CC[C@@H]1CCc2sc(C(=O)N(C)CC(=O)N(CC(C)C)c3c(N)n(CC(C)C)c(=O)[nH]c3=O)cc2C1	ZINC000032971974	553883308	/nfs/dbraw/zinc/88/33/08/553883308.db2.gz	GHUAOPGGUADHCU-QGZVFWFLSA-N	0	0	517.696	3.112	50	0		KGAARN
CC[C@H]1CCc2sc(C(=O)N(C)CC(=O)N(CC(C)C)c3c(N)n(CC(C)C)c(=O)[nH]c3=O)cc2C1	ZINC000032971977	553883300	/nfs/dbraw/zinc/88/33/00/553883300.db2.gz	GHUAOPGGUADHCU-KRWDZBQOSA-N	0	0	517.696	3.112	50	0		KGAARN
Cc1cc(OCCCC(=O)N(C)CC(=O)N(CC(C)C)c2c(N)n(CC(C)C)c(=O)[nH]c2=O)ccc1Cl	ZINC000032971989	553883302	/nfs/dbraw/zinc/88/33/02/553883302.db2.gz	MMPAIDQJIIQPEI-UHFFFAOYSA-N	0	0	536.073	3.043	50	0		KGAARN
CC(C)CN(C(=O)CN(C)C(=O)C=Cc1ccc(Cl)cc1Cl)c1c(N)n(CC(C)C)c(=O)[nH]c1=O	ZINC000032971997	553883478	/nfs/dbraw/zinc/88/34/78/553883478.db2.gz	CWTNOCIGWQSZEY-VQHVLOKHSA-N	0	0	524.449	3.242	50	0		KGAARN
CCCCCOc1ccc(C(=O)N(C)CC(=O)N(CC(C)C)c2c(N)n(CC(C)C)c(=O)[nH]c2=O)cc1	ZINC000032972003	553883410	/nfs/dbraw/zinc/88/34/10/553883410.db2.gz	YSDUFUKIFRDZOA-UHFFFAOYSA-N	0	0	515.655	3.105	50	0		KGAARN
CCN(CC)C(=O)c1cccc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCCC2)c1	ZINC000032976440	553884446	/nfs/dbraw/zinc/88/44/46/553884446.db2.gz	LJDBOSTWVCMWRQ-UHFFFAOYSA-N	0	0	514.648	3.042	50	0		KGAARN
O=C(Cn1c(=O)c(=O)n(Cc2ccc(Cl)cc2)c2ccccc21)N1CCN(c2ccc(F)cc2)CC1	ZINC000032977779	553884451	/nfs/dbraw/zinc/88/44/51/553884451.db2.gz	WUVJTSUBXZUZDW-UHFFFAOYSA-N	0	0	506.965	3.353	50	0		KGAARN
O=C(Cn1c(=O)c(=O)n(Cc2ccc(Cl)cc2)c2ccccc21)N1CCN(c2ccccc2F)CC1	ZINC000032977780	553884457	/nfs/dbraw/zinc/88/44/57/553884457.db2.gz	LRQCKAHRVBRRME-UHFFFAOYSA-N	0	0	506.965	3.353	50	0		KGAARN
O=C(Cn1c(=O)c(=O)n(Cc2ccc(Cl)cc2)c2ccccc21)N1CCN(Cc2ccccc2)CC1	ZINC000032977782	553884483	/nfs/dbraw/zinc/88/44/83/553884483.db2.gz	MWELYQIDZUGHCZ-UHFFFAOYSA-N	0	0	503.002	3.209	50	0		KGAARN
COc1ccc(CCNC(=O)Cn2c3ccccc3n(Cc3ccc(Cl)cc3)c(=O)c2=O)cc1OC	ZINC000032977798	553884455	/nfs/dbraw/zinc/88/44/55/553884455.db2.gz	ZMYKIYCQLPJOFF-UHFFFAOYSA-N	0	0	507.974	3.241	50	0		KGAARN
COCCN(C(=O)c1cc(-c2ccco2)nc2ccccc21)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	ZINC000032981958	553884744	/nfs/dbraw/zinc/88/47/44/553884744.db2.gz	DADHJLRJZHRFPH-UHFFFAOYSA-N	0	0	511.538	3.269	50	0		KGAARN
Cc1ccc2c(c1)n(Cc1cccc(F)c1)c(=O)c1nc(C(=O)N3CCN(Cc4ccccc4)CC3)nn12	ZINC000032984980	553885476	/nfs/dbraw/zinc/88/54/76/553885476.db2.gz	QERXCAVZXUBWOH-UHFFFAOYSA-N	0	0	510.573	3.498	50	0		KGAARN
CCC[NH+]1CCN(c2cc(C(=O)[O-])c3cc(NS(=O)(=O)c4ccc(OC)c(OC)c4)ccc3n2)CC1	ZINC000032985207	553885969	/nfs/dbraw/zinc/88/59/69/553885969.db2.gz	URSCCAAPRFGOAB-UHFFFAOYSA-N	0	0	514.604	3.283	50	0		KGAARN
Cc1ccc(NC(=O)CSCC(=O)N(CCC(C)C)c2c(N)n(Cc3ccccc3)c(=O)[nH]c2=O)cc1	ZINC000032985894	553886229	/nfs/dbraw/zinc/88/62/29/553886229.db2.gz	KLBVTDFCYQWFAR-UHFFFAOYSA-N	0	0	523.659	3.227	50	0		KGAARN
CC(C)CN(C(=O)[C@@H](C)Oc1ccc(Br)cc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	ZINC000032985911	553886190	/nfs/dbraw/zinc/88/61/90/553886190.db2.gz	GJRYXZHDFNXVTA-MRXNPFEDSA-N	0	0	515.408	3.386	50	0		KGAARN
CC(C)CN(C(=O)[C@H](C)Oc1ccc(Br)cc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	ZINC000032985913	553886269	/nfs/dbraw/zinc/88/62/69/553886269.db2.gz	GJRYXZHDFNXVTA-INIZCTEOSA-N	0	0	515.408	3.386	50	0		KGAARN
CCOc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cc(S(C)(=O)=O)ccc3Cl)CC2)cc1	ZINC000032988031	553886842	/nfs/dbraw/zinc/88/68/42/553886842.db2.gz	XMAAKNIWZJDSJR-UHFFFAOYSA-N	0	0	501.026	3.182	50	0		KGAARN
CCCCN(C(=O)c1cccc(N2C(=O)c3ccccc3C2=O)c1)c1c(N)n(CCCC)c(=O)[nH]c1=O	ZINC000032988039	553886821	/nfs/dbraw/zinc/88/68/21/553886821.db2.gz	GYAPRUMSYZBCMV-UHFFFAOYSA-N	0	0	503.559	3.166	50	0		KGAARN
Cc1ccc(NC(=O)CN(C)C(=O)c2cccc(S(=O)(=O)N3CCN(Cc4ccccc4)CC3)c2)cc1	ZINC000032988921	553886845	/nfs/dbraw/zinc/88/68/45/553886845.db2.gz	KVVPKAOJSMRXHT-UHFFFAOYSA-N	0	0	520.655	3.212	50	0		KGAARN
CSCC[C@@H](NC(=O)c1ccccc1Cl)C(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1	ZINC000032990918	553886824	/nfs/dbraw/zinc/88/68/24/553886824.db2.gz	NULMWZPDNZEAPQ-OAQYLSRUSA-N	0	0	510.081	3.033	50	0		KGAARN
CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1	ZINC000032990920	553886839	/nfs/dbraw/zinc/88/68/39/553886839.db2.gz	NULMWZPDNZEAPQ-NRFANRHFSA-N	0	0	510.081	3.033	50	0		KGAARN
O=C(NCCN1C(=O)S/C(=C\c2ccc(OC(F)F)cc2)C1=O)c1cccc(N2C(=O)CCC2=O)c1	ZINC000032990990	553887061	/nfs/dbraw/zinc/88/70/61/553887061.db2.gz	ORBWAZAYPWYWAB-PDGQHHTCSA-N	0	0	515.494	3.408	50	0		KGAARN
CC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)Oc2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)C1=O	ZINC000032991088	553887082	/nfs/dbraw/zinc/88/70/82/553887082.db2.gz	LHQGBTLVVDUBKU-SANMLTNESA-N	0	0	507.568	3.274	50	0		KGAARN
CC[C@]1(c2ccccc2)NC(=O)N(CC(=O)Oc2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)C1=O	ZINC000032991090	553887071	/nfs/dbraw/zinc/88/70/71/553887071.db2.gz	LHQGBTLVVDUBKU-AREMUKBSSA-N	0	0	507.568	3.274	50	0		KGAARN
Cc1ccc([C@]2(C)NC(=O)N(CC(=O)Nc3ccc(S(=O)(=O)N4C[C@H](C)C[C@@H](C)C4)cc3)C2=O)cc1	ZINC000032992689	553887046	/nfs/dbraw/zinc/88/70/46/553887046.db2.gz	WFWBIYNKULVCOR-UDCNLSRBSA-N	0	0	512.632	3.067	50	0		KGAARN
Cc1ccc([C@]2(C)NC(=O)N(CC(=O)Nc3ccc(S(=O)(=O)N4C[C@H](C)C[C@H](C)C4)cc3)C2=O)cc1	ZINC000032992692	553887067	/nfs/dbraw/zinc/88/70/67/553887067.db2.gz	WFWBIYNKULVCOR-ANSQWYIGSA-N	0	0	512.632	3.067	50	0		KGAARN
Cc1ccc([C@]2(C)NC(=O)N(CC(=O)Nc3ccc(S(=O)(=O)N4C[C@@H](C)C[C@H](C)C4)cc3)C2=O)cc1	ZINC000032992696	553887043	/nfs/dbraw/zinc/88/70/43/553887043.db2.gz	WFWBIYNKULVCOR-DGUDUIIESA-N	0	0	512.632	3.067	50	0		KGAARN
CCCCN(C(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O	ZINC000032994488	553887319	/nfs/dbraw/zinc/88/73/19/553887319.db2.gz	YBCAIQCFKXEFFI-GOSISDBHSA-N	0	0	504.031	3.114	50	0		KGAARN
CCCCN(C(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O	ZINC000032994491	553887257	/nfs/dbraw/zinc/88/72/57/553887257.db2.gz	YBCAIQCFKXEFFI-SFHVURJKSA-N	0	0	504.031	3.114	50	0		KGAARN
CCCCN(C(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O	ZINC000032994492	553887272	/nfs/dbraw/zinc/88/72/72/553887272.db2.gz	NOCWZQSWKIIFKG-UHFFFAOYSA-N	0	0	503.559	3.022	50	0		KGAARN
CCCCN(C(=O)c1cccc(N2C(=O)c3ccccc3C2=O)c1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O	ZINC000032994494	553887248	/nfs/dbraw/zinc/88/72/48/553887248.db2.gz	LBVLLIPKNALGJW-UHFFFAOYSA-N	0	0	503.559	3.022	50	0		KGAARN
COCCN(C(=O)c1cc(-c2ccc(F)cc2)nc2ccccc21)c1c(N)n(CC(C)C)c(=O)[nH]c1=O	ZINC000032994543	553887298	/nfs/dbraw/zinc/88/72/98/553887298.db2.gz	UIYXLZOTJAGPCB-UHFFFAOYSA-N	0	0	505.550	3.422	50	0		KGAARN
CCOC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)c3ccccc3OCc3c(C)noc3C)CC2)cc1	ZINC000032994651	553887250	/nfs/dbraw/zinc/88/72/50/553887250.db2.gz	VBQUQIIZBIHOFH-UHFFFAOYSA-N	0	0	527.599	3.194	50	0		KGAARN
CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)C(=O)CN1C(=O)N[C@@](C)(c2ccc3ccccc3c2)C1=O	ZINC000032999526	553887525	/nfs/dbraw/zinc/88/75/25/553887525.db2.gz	AXHLWXDDXNUZNK-NDEPHWFRSA-N	0	0	515.570	3.052	50	0		KGAARN
CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)C(=O)CN1C(=O)N[C@](C)(c2ccc3ccccc3c2)C1=O	ZINC000032999527	553887541	/nfs/dbraw/zinc/88/75/41/553887541.db2.gz	AXHLWXDDXNUZNK-MUUNZHRXSA-N	0	0	515.570	3.052	50	0		KGAARN
Cc1ccc(NC(=O)CSCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2OC(C)C)cc1	ZINC000032999585	553887768	/nfs/dbraw/zinc/88/77/68/553887768.db2.gz	BPIVMAJSHTZBFL-UHFFFAOYSA-N	0	0	521.661	3.114	50	0		KGAARN
CCN(CC(=O)NCc1cccs1)C(=O)C1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1	ZINC000032999681	553887698	/nfs/dbraw/zinc/88/76/98/553887698.db2.gz	RDOOYPHRASHWHY-UHFFFAOYSA-N	0	0	517.595	3.333	50	0		KGAARN
C[C@@H](Oc1ccc(F)cc1)C(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCN(C)CC1	ZINC000032999698	553887774	/nfs/dbraw/zinc/88/77/74/553887774.db2.gz	QENPSLSKCXLACY-LJQANCHMSA-N	0	0	504.628	3.158	50	0		KGAARN
C[C@H](Oc1ccc(F)cc1)C(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCN(C)CC1	ZINC000032999699	553887761	/nfs/dbraw/zinc/88/77/61/553887761.db2.gz	QENPSLSKCXLACY-IBGZPJMESA-N	0	0	504.628	3.158	50	0		KGAARN
Cc1ccccc1OCCC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCN(C)CC1	ZINC000032999702	553887705	/nfs/dbraw/zinc/88/77/05/553887705.db2.gz	GVVMICRAWTZKLD-UHFFFAOYSA-N	0	0	500.665	3.329	50	0		KGAARN
COc1ccccc1OCCNC(=O)c1cccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)c1	ZINC000032999729	553887781	/nfs/dbraw/zinc/88/77/81/553887781.db2.gz	KWQSUGMGNQXAJP-UHFFFAOYSA-N	0	0	509.628	3.011	50	0		KGAARN
COCCN(Cc1ccccc1)C(=O)c1cccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)c1	ZINC000033000136	553888080	/nfs/dbraw/zinc/88/80/80/553888080.db2.gz	IGGNPSANVVOURJ-UHFFFAOYSA-N	0	0	507.656	3.482	50	0		KGAARN
CCN(CC(=O)Nc1ccccc1OC)C(=O)c1cc(S(=O)(=O)N2CCCCCC2)ccc1OC	ZINC000033000599	553887978	/nfs/dbraw/zinc/88/79/78/553887978.db2.gz	PZZALGPZMQNZJH-UHFFFAOYSA-N	0	0	503.621	3.369	50	0		KGAARN
O=C(c1cccc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)c1)N1CCN(c2ccccc2O)CC1	ZINC000033002133	553887988	/nfs/dbraw/zinc/88/79/88/553887988.db2.gz	ZYLBQUJDJLPUEH-UHFFFAOYSA-N	0	0	524.618	3.005	50	0		KGAARN
CCOc1ccc(S(=O)(=O)NN/C=C2\c3ccccc3C(=O)N(Cc3ccc(OC)cc3)C2=O)cc1	ZINC000033014761	553888293	/nfs/dbraw/zinc/88/82/93/553888293.db2.gz	IVQUQAIWZMUVQT-LFVJCYFKSA-N	0	0	507.568	3.101	50	0		KGAARN
O=C(Nc1ccc2c(c1)OCO2)c1nnc(C(=O)N2CCC(C(=O)Nc3ccc(F)cc3F)CC2)s1	ZINC000033024649	553888910	/nfs/dbraw/zinc/88/89/10/553888910.db2.gz	QAZNLBDWJGSJJK-UHFFFAOYSA-N	0	0	515.498	3.288	50	0		KGAARN
Cc1ccc(F)cc1NC(=O)C1CCN(C(=O)c2nnc(C(=O)Nc3ccc4c(c3)OCO4)s2)CC1	ZINC000033024655	553888898	/nfs/dbraw/zinc/88/88/98/553888898.db2.gz	DVYPHRWKWQCCGZ-UHFFFAOYSA-N	0	0	511.535	3.458	50	0		KGAARN
C[C@@H](NC(=O)C1CCN(C(=O)c2nnc(C(=O)Nc3ccc4c(c3)OCO4)s2)CC1)c1ccccc1	ZINC000033024664	553888818	/nfs/dbraw/zinc/88/88/18/553888818.db2.gz	ZGIYMFDKDFKGEB-OAHLLOKOSA-N	0	0	507.572	3.249	50	0		KGAARN
C[C@H](NC(=O)C1CCN(C(=O)c2nnc(C(=O)Nc3ccc4c(c3)OCO4)s2)CC1)c1ccccc1	ZINC000033024665	553888798	/nfs/dbraw/zinc/88/87/98/553888798.db2.gz	ZGIYMFDKDFKGEB-HNNXBMFYSA-N	0	0	507.572	3.249	50	0		KGAARN
O=C(Nc1ccc2c(c1)OCO2)c1nnc(C(=O)N2CCC(C(=O)Nc3cc(F)ccc3F)CC2)s1	ZINC000033024676	553888795	/nfs/dbraw/zinc/88/87/95/553888795.db2.gz	WMCZLITUOZZZMB-UHFFFAOYSA-N	0	0	515.498	3.288	50	0		KGAARN
Cc1ccc(NC(=O)C2CCN(C(=O)c3nnc(C(=O)Nc4ccc5c(c4)OCO5)s3)CC2)cc1F	ZINC000033024677	553888790	/nfs/dbraw/zinc/88/87/90/553888790.db2.gz	NDFVRCDKQHFJIQ-UHFFFAOYSA-N	0	0	511.535	3.458	50	0		KGAARN
O=C(Nc1ccc2c(c1)OCO2)c1nnc(C(=O)N2CCC(C(=O)NCCC3=CCCCC3)CC2)s1	ZINC000033024678	553888939	/nfs/dbraw/zinc/88/89/39/553888939.db2.gz	BGUWOEBAYLNWQT-UHFFFAOYSA-N	0	0	511.604	3.378	50	0		KGAARN
O=C(Nc1ccc2c(c1)OCO2)c1nnc(C(=O)N2CCC(C(=O)Nc3ccc(F)c(F)c3)CC2)s1	ZINC000033024679	553888822	/nfs/dbraw/zinc/88/88/22/553888822.db2.gz	RDZIYQAHSXGPFX-UHFFFAOYSA-N	0	0	515.498	3.288	50	0		KGAARN
Cc1cc(F)ccc1NC(=O)C1CCN(C(=O)c2nnc(C(=O)Nc3ccc4c(c3)OCO4)s2)CC1	ZINC000033024680	553888816	/nfs/dbraw/zinc/88/88/16/553888816.db2.gz	HIZTXDLWNDRNMW-UHFFFAOYSA-N	0	0	511.535	3.458	50	0		KGAARN
O=C(Nc1ccc2c(c1)OCO2)c1nnc(C(=O)N2CCC(C(=O)Nc3c(F)cccc3F)CC2)s1	ZINC000033024682	553888894	/nfs/dbraw/zinc/88/88/94/553888894.db2.gz	WNMOFAKDFKSMFI-UHFFFAOYSA-N	0	0	515.498	3.288	50	0		KGAARN
O=C(Nc1ccc2c(c1)OCO2)c1nnc(C(=O)N2CCC(C(=O)Nc3cc(F)cc(F)c3)CC2)s1	ZINC000033024683	553888786	/nfs/dbraw/zinc/88/87/86/553888786.db2.gz	XCUINLWHIKDQFC-UHFFFAOYSA-N	0	0	515.498	3.288	50	0		KGAARN
Cc1cc(NC(=O)C2CCN(C(=O)c3nnc(C(=O)Nc4ccc5c(c4)OCO5)s3)CC2)ccc1F	ZINC000033024684	553889305	/nfs/dbraw/zinc/88/93/05/553889305.db2.gz	NRQATAGDHASCBR-UHFFFAOYSA-N	0	0	511.535	3.458	50	0		KGAARN
Cc1c(F)cccc1NC(=O)C1CCN(C(=O)c2nnc(C(=O)Nc3ccc4c(c3)OCO4)s2)CC1	ZINC000033024685	553889232	/nfs/dbraw/zinc/88/92/32/553889232.db2.gz	AOWPNXQFILEGRO-UHFFFAOYSA-N	0	0	511.535	3.458	50	0		KGAARN
Cc1ccc(NC(=O)C2CCN(C(=O)c3nnc(C(=O)Nc4ccc5c(c4)OCO5)s3)CC2)c(F)c1	ZINC000033024686	553889207	/nfs/dbraw/zinc/88/92/07/553889207.db2.gz	BHLJIHBRBJKIKC-UHFFFAOYSA-N	0	0	511.535	3.458	50	0		KGAARN
Cc1ccc(F)c(NC(=O)C2CCN(C(=O)c3nnc(C(=O)Nc4ccc5c(c4)OCO5)s3)CC2)c1	ZINC000033024687	553889202	/nfs/dbraw/zinc/88/92/02/553889202.db2.gz	SLKQSGGPWWQUDU-UHFFFAOYSA-N	0	0	511.535	3.458	50	0		KGAARN
COc1cccc(NC(=O)[C@@H]2CCCN(C(=O)c3nnc(C(=O)Nc4ccc5c(c4)OCO5)s3)C2)c1	ZINC000033024757	553889302	/nfs/dbraw/zinc/88/93/02/553889302.db2.gz	OIWBZPNKQZAULZ-CQSZACIVSA-N	0	0	509.544	3.019	50	0		KGAARN
COc1cccc(NC(=O)[C@H]2CCCN(C(=O)c3nnc(C(=O)Nc4ccc5c(c4)OCO5)s3)C2)c1	ZINC000033024758	553889249	/nfs/dbraw/zinc/88/92/49/553889249.db2.gz	OIWBZPNKQZAULZ-AWEZNQCLSA-N	0	0	509.544	3.019	50	0		KGAARN
COc1ccccc1NC(=O)[C@@H]1CCCN(C(=O)c2nnc(C(=O)Nc3ccc4c(c3)OCO4)s2)C1	ZINC000033024783	553889205	/nfs/dbraw/zinc/88/92/05/553889205.db2.gz	ZQFUFDBUSRZOHA-CQSZACIVSA-N	0	0	509.544	3.019	50	0		KGAARN
COc1ccccc1NC(=O)[C@H]1CCCN(C(=O)c2nnc(C(=O)Nc3ccc4c(c3)OCO4)s2)C1	ZINC000033024784	553889291	/nfs/dbraw/zinc/88/92/91/553889291.db2.gz	ZQFUFDBUSRZOHA-AWEZNQCLSA-N	0	0	509.544	3.019	50	0		KGAARN
COc1ccccc1CNC(=O)CC1CCN(C(=O)c2nnc(C(=O)Nc3ccc(F)cc3)s2)CC1	ZINC000033024803	553889269	/nfs/dbraw/zinc/88/92/69/553889269.db2.gz	AAWUGGUVLPXTNG-UHFFFAOYSA-N	0	0	511.579	3.497	50	0		KGAARN
COc1cccc(CNC(=O)CC2CCN(C(=O)c3nnc(C(=O)Nc4ccc(F)cc4)s3)CC2)c1	ZINC000033024804	553889286	/nfs/dbraw/zinc/88/92/86/553889286.db2.gz	VNZCJAKWWFKDAL-UHFFFAOYSA-N	0	0	511.579	3.497	50	0		KGAARN
Cc1n[nH]cc1CNC(=O)CC1CCN(C(=O)c2nnc(C(=O)Nc3cccc(Cl)c3)s2)CC1	ZINC000033024906	553889846	/nfs/dbraw/zinc/88/98/46/553889846.db2.gz	QOWAYSRYVYGEJW-UHFFFAOYSA-N	0	0	502.000	3.034	50	0		KGAARN
O=C(CC1CCN(C(=O)c2nnc(C(=O)Nc3ccccc3)s2)CC1)NCc1ccc2c(c1)OCO2	ZINC000033024927	553889878	/nfs/dbraw/zinc/88/98/78/553889878.db2.gz	RNXZBSAEZAQFAN-UHFFFAOYSA-N	0	0	507.572	3.078	50	0		KGAARN
O=C(CC1CCN(C(=O)c2nnc(C(=O)Nc3ccc4c(c3)OCO4)s2)CC1)NCc1ccccc1	ZINC000033024970	553889854	/nfs/dbraw/zinc/88/98/54/553889854.db2.gz	YGTIFIXBSWIJDH-UHFFFAOYSA-N	0	0	507.572	3.078	50	0		KGAARN
Cc1ccc(CNC(=O)CC2CCN(C(=O)c3nnc(C(=O)Nc4ccc5c(c4)OCO5)s3)CC2)cc1	ZINC000033024979	553889858	/nfs/dbraw/zinc/88/98/58/553889858.db2.gz	YSPDUEQGHRQVBY-UHFFFAOYSA-N	0	0	521.599	3.386	50	0		KGAARN
Cc1cccc(CNC(=O)CC2CCN(C(=O)c3nnc(C(=O)Nc4ccc5c(c4)OCO5)s3)CC2)c1	ZINC000033024988	553890048	/nfs/dbraw/zinc/89/00/48/553890048.db2.gz	VFUFFIQOCHZTPQ-UHFFFAOYSA-N	0	0	521.599	3.386	50	0		KGAARN
O=C(CC1CCN(C(=O)c2nnc(C(=O)Nc3ccc4c(c3)OCO4)s2)CC1)NCC1CCCCC1	ZINC000033024990	553889978	/nfs/dbraw/zinc/88/99/78/553889978.db2.gz	JELPSYHCPNWYBG-UHFFFAOYSA-N	0	0	513.620	3.458	50	0		KGAARN
Cc1ccccc1CNC(=O)CC1CCN(C(=O)c2nnc(C(=O)Nc3ccc4c(c3)OCO4)s2)CC1	ZINC000033024994	553890061	/nfs/dbraw/zinc/89/00/61/553890061.db2.gz	HYPGGVDICBJXIF-UHFFFAOYSA-N	0	0	521.599	3.386	50	0		KGAARN
COc1ccc(NC(=O)c2nnc(C(=O)N3CCC(CC(=O)NCc4ccc(F)cc4)CC3)s2)cc1	ZINC000033025019	553890013	/nfs/dbraw/zinc/89/00/13/553890013.db2.gz	DKULHEQUPALGMM-UHFFFAOYSA-N	0	0	511.579	3.497	50	0		KGAARN
COc1ccc([C@@H](CNC(=O)c2ccc(S(=O)(=O)Nc3ccccc3F)cc2)N2CCOCC2)cc1	ZINC000033026110	553890424	/nfs/dbraw/zinc/89/04/24/553890424.db2.gz	UCGRIDIKEJJGTC-RUZDIDTESA-N	0	0	513.591	3.438	50	0		KGAARN
COc1ccc([C@H](CNC(=O)c2ccc(S(=O)(=O)Nc3ccccc3F)cc2)N2CCOCC2)cc1	ZINC000033026113	553890440	/nfs/dbraw/zinc/89/04/40/553890440.db2.gz	UCGRIDIKEJJGTC-VWLOTQADSA-N	0	0	513.591	3.438	50	0		KGAARN
COc1ccc([C@@H](CNC(=O)c2cccc(S(=O)(=O)Nc3ccc(F)cc3)c2)N2CCOCC2)cc1	ZINC000033026132	553890591	/nfs/dbraw/zinc/89/05/91/553890591.db2.gz	ZYUPNXSICJTJLE-RUZDIDTESA-N	0	0	513.591	3.438	50	0		KGAARN
COc1ccc([C@H](CNC(=O)c2cccc(S(=O)(=O)Nc3ccc(F)cc3)c2)N2CCOCC2)cc1	ZINC000033026135	553890711	/nfs/dbraw/zinc/89/07/11/553890711.db2.gz	ZYUPNXSICJTJLE-VWLOTQADSA-N	0	0	513.591	3.438	50	0		KGAARN
Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCC(=O)Nc3ccc(Br)c(C)c3)CC2)cc1	ZINC000033026982	553890630	/nfs/dbraw/zinc/89/06/30/553890630.db2.gz	RHVQGTBJFBDXJX-UHFFFAOYSA-N	0	0	508.438	3.318	50	0		KGAARN
O=C(Nc1cccc(C(=O)NCCCN2CCOCC2)c1)c1nnc(COc2ccc(Cl)cc2)s1	ZINC000033027108	553890599	/nfs/dbraw/zinc/89/05/99/553890599.db2.gz	FTTSNLNKXVZQEJ-UHFFFAOYSA-N	0	0	516.023	3.475	50	0		KGAARN
O=C(Nc1ccc(C(=O)NCCCN2CCOCC2)cc1)c1nnc(COc2ccc(Cl)cc2)s1	ZINC000033027912	553890973	/nfs/dbraw/zinc/89/09/73/553890973.db2.gz	YPOLRVVGVXHJBE-UHFFFAOYSA-N	0	0	516.023	3.475	50	0		KGAARN
O=C(Nc1ccc(C(=O)NCCN2CCOCC2)cc1)c1nnc(COc2ccc(Cl)cc2)s1	ZINC000033027926	553890949	/nfs/dbraw/zinc/89/09/49/553890949.db2.gz	HVHFLGKAWQQVAH-UHFFFAOYSA-N	0	0	501.996	3.085	50	0		KGAARN
O=C(CNC(=O)c1sc2ccccc2c1Cl)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1	ZINC000033029003	553891337	/nfs/dbraw/zinc/89/13/37/553891337.db2.gz	XMZZSVNGUGIEFY-UHFFFAOYSA-N	0	0	512.440	3.471	50	0		KGAARN
Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)CNC(=O)c3sc4ccccc4c3Cl)CC2)c1	ZINC000033029034	553891229	/nfs/dbraw/zinc/89/12/29/553891229.db2.gz	DQLZXSNBXLSPNU-UHFFFAOYSA-N	0	0	506.049	3.434	50	0		KGAARN
CCN1CCN(C(=O)c2ccc(NC(=O)c3nnc(COc4ccc(OC)c(OC)c4)s3)cc2)CC1	ZINC000033032024	553891829	/nfs/dbraw/zinc/89/18/29/553891829.db2.gz	AILZUSPXKUOCKR-UHFFFAOYSA-N	0	0	511.604	3.164	50	0		KGAARN
CC(=O)Nc1ccc(C)cc1S(=O)(=O)[N-]c1cc(C(=O)N2CCC(C)CC2)ccc1N1CC[NH2+]CC1	ZINC000033033563	553892997	/nfs/dbraw/zinc/89/29/97/553892997.db2.gz	MMUZWYZCPUXBAW-UHFFFAOYSA-N	0	0	513.664	3.036	50	0		KGAARN
CC(=O)Nc1ccc(C)cc1S(=O)(=O)[N-]c1cc(C(=O)N2CCCCCC2)ccc1N1CC[NH2+]CC1	ZINC000033033565	553892942	/nfs/dbraw/zinc/89/29/42/553892942.db2.gz	KRQMHZZGMZVMTP-UHFFFAOYSA-N	0	0	513.664	3.180	50	0		KGAARN
CCCCN(CC)C(=O)c1ccc(N2CC[NH2+]CC2)c([N-]S(=O)(=O)c2cc(C)ccc2NC(C)=O)c1	ZINC000033033569	553892910	/nfs/dbraw/zinc/89/29/10/553892910.db2.gz	UYYFDQFLOLPYAP-UHFFFAOYSA-N	0	0	515.680	3.426	50	0		KGAARN
CC(C)Oc1ccc(CNC(=O)CN2c3cc(S(=O)(=O)N4CCCC4)sc3SCC2=O)cc1	ZINC000033039784	553893043	/nfs/dbraw/zinc/89/30/43/553893043.db2.gz	TWOHGKSLAFRQJA-UHFFFAOYSA-N	0	0	509.675	3.075	50	0		KGAARN
COC(=O)c1ccc(Cl)cc1NC(=O)N1CCN(Cc2nc3cc(C(=O)N(C)C)ccc3n2C)CC1	ZINC000033048134	553894409	/nfs/dbraw/zinc/89/44/09/553894409.db2.gz	JQOAPHLWZHTOEI-UHFFFAOYSA-N	0	0	512.998	3.065	50	0		KGAARN
CCOc1ccc(S(=O)(=O)N2CCN(Cc3nc4cc(C(=O)N5CCCCC5)ccc4o3)CC2)cc1	ZINC000033048142	553894406	/nfs/dbraw/zinc/89/44/06/553894406.db2.gz	XFUWSYLQUUTDMS-UHFFFAOYSA-N	0	0	512.632	3.359	50	0		KGAARN
COC(=O)c1ncn2c1C(=O)N(Cc1ccc(SC)cc1)[C@](C)(C(=O)NCc1ccccc1OC)C2	ZINC000033048183	553894718	/nfs/dbraw/zinc/89/47/18/553894718.db2.gz	QUBZILGCMALUIT-SANMLTNESA-N	0	0	508.600	3.131	50	0		KGAARN
COC(=O)c1ncn2c1C(=O)N(Cc1ccc(SC)cc1)[C@@](C)(C(=O)NCc1ccccc1OC)C2	ZINC000033048184	553894730	/nfs/dbraw/zinc/89/47/30/553894730.db2.gz	QUBZILGCMALUIT-AREMUKBSSA-N	0	0	508.600	3.131	50	0		KGAARN
COCCNC(=O)c1ccc(Cn2c(SCC(=O)NCc3ccccc3)nc3ccccc3c2=O)cc1	ZINC000033058687	553903279	/nfs/dbraw/zinc/90/32/79/553903279.db2.gz	GJKJYOWNTZADMH-UHFFFAOYSA-N	0	0	516.623	3.230	50	0		KGAARN
COCCNC(=O)c1ccc(Cn2c(=O)c3ccccc3nc2SCC(=O)NC2CCCCC2)cc1	ZINC000033058688	553903370	/nfs/dbraw/zinc/90/33/70/553903370.db2.gz	DWFUFBPOKQGRCK-UHFFFAOYSA-N	0	0	508.644	3.362	50	0		KGAARN
Cc1noc(/C=C/c2ccc(C)cc2)c1S(=O)(=O)N1CCC(C(=O)N2CCC3(CC2)OCCO3)CC1	ZINC000033058792	553903945	/nfs/dbraw/zinc/90/39/45/553903945.db2.gz	UWIKQSOEUBDHBS-BQYQJAHWSA-N	0	0	515.632	3.228	50	0		KGAARN
Cc1noc(/C=C/c2ccccc2F)c1S(=O)(=O)N1CCC(C(=O)N2CCC3(CC2)OCCO3)CC1	ZINC000033058906	553904323	/nfs/dbraw/zinc/90/43/23/553904323.db2.gz	NKWAVGDSPVRKKU-VOTSOKGWSA-N	0	0	519.595	3.059	50	0		KGAARN
CC(=O)Nc1ccc(C(=O)N(Cc2cccnc2)C2(C(=O)NCc3ccccc3)CCN(C(C)=O)CC2)cc1	ZINC000033068346	553905059	/nfs/dbraw/zinc/90/50/59/553905059.db2.gz	BMOHEXKCUMTWKA-UHFFFAOYSA-N	0	0	527.625	3.380	50	0		KGAARN
COc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)CCCN4C(C)=O)CC2)cc1OC	ZINC000033077496	553906333	/nfs/dbraw/zinc/90/63/33/553906333.db2.gz	FHTKDWJCDACPSR-UHFFFAOYSA-N	0	0	501.605	3.042	50	0		KGAARN
COc1cc(NC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)CCCN4C(C)=O)CC2)cc(OC)c1	ZINC000033077498	553906353	/nfs/dbraw/zinc/90/63/53/553906353.db2.gz	ZJFNFUAHZCHKMJ-UHFFFAOYSA-N	0	0	501.605	3.042	50	0		KGAARN
COc1ccc(OC)c(NC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)CCCN4C(C)=O)CC2)c1	ZINC000033077501	553906402	/nfs/dbraw/zinc/90/64/02/553906402.db2.gz	DGRQRRIEADMIQZ-UHFFFAOYSA-N	0	0	501.605	3.042	50	0		KGAARN
Cc1nn(CC(=O)N2CCc3ccccc32)c(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccccc2)C1	ZINC000033086238	553910543	/nfs/dbraw/zinc/91/05/43/553910543.db2.gz	OJAVCEFDYFPJFS-JOCHJYFZSA-N	0	0	521.643	3.129	50	0		KGAARN
Cc1nn(CC(=O)N2CCc3ccccc32)c(C)c1S(=O)(=O)N1CCC[C@H](C(=O)Nc2ccccc2)C1	ZINC000033086239	553910610	/nfs/dbraw/zinc/91/06/10/553910610.db2.gz	OJAVCEFDYFPJFS-QFIPXVFZSA-N	0	0	521.643	3.129	50	0		KGAARN
CC(=O)c1ccc(S(=O)(=O)N2CCC(c3nnc(C(=O)Nc4ccc5c(c4)OCO5)s3)CC2)cc1	ZINC000033114177	553910807	/nfs/dbraw/zinc/91/08/07/553910807.db2.gz	UTHXBPXXQDBQLY-UHFFFAOYSA-N	0	0	514.585	3.290	50	0		KGAARN
O=C(CNc1ccccc1)N1CCCN(C(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)s2)CC1	ZINC000033121545	553911047	/nfs/dbraw/zinc/91/10/47/553911047.db2.gz	GUIVOVYMQNZEOE-UHFFFAOYSA-N	0	0	519.693	3.491	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cn(C)c4ccccc34)c(=O)n2[C@@H]1c1cc(OC)ccc1OC	ZINC000033154892	553911422	/nfs/dbraw/zinc/91/14/22/553911422.db2.gz	ROXCXJZRDUMQFW-YXDQGSNCSA-N	0	0	517.607	3.307	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cn(C)c4ccccc34)c(=O)n2[C@H]1c1cc(OC)ccc1OC	ZINC000033154893	553911355	/nfs/dbraw/zinc/91/13/55/553911355.db2.gz	ROXCXJZRDUMQFW-ITIZVALFSA-N	0	0	517.607	3.307	50	0		KGAARN
O=C(CN1C(=O)S/C(=C\c2cn(CC(=O)N3CCOCC3)c3ccccc23)C1=O)Nc1ccccc1F	ZINC000033155044	553911843	/nfs/dbraw/zinc/91/18/43/553911843.db2.gz	MQHNNDIAFKGAAF-XKZIYDEJSA-N	0	0	522.558	3.314	50	0		KGAARN
COc1ccc(-c2nc3s/c(=C\c4cc(Br)c(OC(C)=O)c(OC)c4)c(=O)n3n2)cc1	ZINC000033162048	553911748	/nfs/dbraw/zinc/91/17/48/553911748.db2.gz	YYKTXHBPFLRBPQ-YVLHZVERSA-N	0	0	502.346	3.071	50	0		KGAARN
CCN1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3c(C)noc3/C=C/c3cc(C)ccc3C)C2)CC1	ZINC000033250883	553912991	/nfs/dbraw/zinc/91/29/91/553912991.db2.gz	GFKOMCKNXSPGKI-BREAQWACSA-N	0	0	500.665	3.335	50	0		KGAARN
CCN1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3c(C)noc3/C=C/c3cc(C)ccc3C)C2)CC1	ZINC000033250884	553912922	/nfs/dbraw/zinc/91/29/22/553912922.db2.gz	GFKOMCKNXSPGKI-YSESTWPTSA-N	0	0	500.665	3.335	50	0		KGAARN
Cc1noc(/C=C/c2c(C)cc(C)cc2C)c1S(=O)(=O)N1CCC[C@@H](C(=O)N2CCN(C)CC2)C1	ZINC000033250935	553913557	/nfs/dbraw/zinc/91/35/57/553913557.db2.gz	YXRZHZKWALJXLM-HYGBKTPJSA-N	0	0	500.665	3.253	50	0		KGAARN
Cc1noc(/C=C/c2c(C)cc(C)cc2C)c1S(=O)(=O)N1CCC[C@H](C(=O)N2CCN(C)CC2)C1	ZINC000033250936	553913581	/nfs/dbraw/zinc/91/35/81/553913581.db2.gz	YXRZHZKWALJXLM-UVIRAJKCSA-N	0	0	500.665	3.253	50	0		KGAARN
CC(C)NC(=O)c1ccc2c(c1)nc(SCC(=O)c1ccc3c(c1)OCO3)n(C[C@@H]1CCCO1)c2=O	ZINC000033250981	553913835	/nfs/dbraw/zinc/91/38/35/553913835.db2.gz	PKVFHSXDODJGCC-SFHVURJKSA-N	0	0	509.584	3.417	50	0		KGAARN
CC(C)NC(=O)c1ccc2c(c1)nc(SCC(=O)c1ccc3c(c1)OCO3)n(C[C@H]1CCCO1)c2=O	ZINC000033250982	553913899	/nfs/dbraw/zinc/91/38/99/553913899.db2.gz	PKVFHSXDODJGCC-GOSISDBHSA-N	0	0	509.584	3.417	50	0		KGAARN
CCc1nc(-c2ccc(C)c(S(=O)(=O)N3CCC(C(=O)NCc4ccc5c(c4)OCO5)CC3)c2)no1	ZINC000033252338	553914283	/nfs/dbraw/zinc/91/42/83/553914283.db2.gz	AXKWMZWKRZTWAW-UHFFFAOYSA-N	0	0	512.588	3.053	50	0		KGAARN
CCc1nc(-c2ccc(C)c(S(=O)(=O)N3CCC(C(=O)Nc4ccc5c(c4)OCCO5)CC3)c2)no1	ZINC000033252342	553914271	/nfs/dbraw/zinc/91/42/71/553914271.db2.gz	FULAWMISAMZBNP-UHFFFAOYSA-N	0	0	512.588	3.418	50	0		KGAARN
O=C(NCc1ccc2c(c1)OCO2)[C@@H]1CCCN(c2ccc3cc(S(=O)(=O)N4CCCC4)ccc3n2)C1	ZINC000033255574	553914569	/nfs/dbraw/zinc/91/45/69/553914569.db2.gz	ZUKKQYHHFYIBGV-OAQYLSRUSA-N	0	0	522.627	3.281	50	0		KGAARN
O=C(NCc1ccc2c(c1)OCO2)[C@H]1CCCN(c2ccc3cc(S(=O)(=O)N4CCCC4)ccc3n2)C1	ZINC000033255575	553914649	/nfs/dbraw/zinc/91/46/49/553914649.db2.gz	ZUKKQYHHFYIBGV-NRFANRHFSA-N	0	0	522.627	3.281	50	0		KGAARN
O=C(NCCC1=CCCCC1)[C@@H]1CCCN(c2ccc3cc(S(=O)(=O)N4CCOCC4)ccc3n2)C1	ZINC000033255684	553914799	/nfs/dbraw/zinc/91/47/99/553914799.db2.gz	MPJBPXHKLFQLHA-HSZRJFAPSA-N	0	0	512.676	3.479	50	0		KGAARN
O=C(NCCC1=CCCCC1)[C@H]1CCCN(c2ccc3cc(S(=O)(=O)N4CCOCC4)ccc3n2)C1	ZINC000033255685	553914809	/nfs/dbraw/zinc/91/48/09/553914809.db2.gz	MPJBPXHKLFQLHA-QHCPKHFHSA-N	0	0	512.676	3.479	50	0		KGAARN
COc1ccc(NC(=O)[C@@H]2CCCN(c3ccc4cc(S(=O)(=O)N5CCOCC5)ccc4n3)C2)cc1	ZINC000033255686	553914893	/nfs/dbraw/zinc/91/48/93/553914893.db2.gz	SXXGHQWYVNXEEB-HXUWFJFHSA-N	0	0	510.616	3.119	50	0		KGAARN
COc1ccc(NC(=O)[C@H]2CCCN(c3ccc4cc(S(=O)(=O)N5CCOCC5)ccc4n3)C2)cc1	ZINC000033255687	553914901	/nfs/dbraw/zinc/91/49/01/553914901.db2.gz	SXXGHQWYVNXEEB-FQEVSTJZSA-N	0	0	510.616	3.119	50	0		KGAARN
Cc1ccc(CNC(=O)[C@@H]2CCCN(c3ccc4cc(S(=O)(=O)N5CCOCC5)ccc4n3)C2)cc1	ZINC000033255696	553915104	/nfs/dbraw/zinc/91/51/04/553915104.db2.gz	NMXYJNLJPFGCJP-HSZRJFAPSA-N	0	0	508.644	3.097	50	0		KGAARN
Cc1ccc(CNC(=O)[C@H]2CCCN(c3ccc4cc(S(=O)(=O)N5CCOCC5)ccc4n3)C2)cc1	ZINC000033255697	553915244	/nfs/dbraw/zinc/91/52/44/553915244.db2.gz	NMXYJNLJPFGCJP-QHCPKHFHSA-N	0	0	508.644	3.097	50	0		KGAARN
Cc1ccccc1CNC(=O)[C@@H]1CCCN(c2ccc3cc(S(=O)(=O)N4CCOCC4)ccc3n2)C1	ZINC000033255722	553915127	/nfs/dbraw/zinc/91/51/27/553915127.db2.gz	NZXQFVYXDCAWBF-HSZRJFAPSA-N	0	0	508.644	3.097	50	0		KGAARN
Cc1ccccc1CNC(=O)[C@H]1CCCN(c2ccc3cc(S(=O)(=O)N4CCOCC4)ccc3n2)C1	ZINC000033255723	553915081	/nfs/dbraw/zinc/91/50/81/553915081.db2.gz	NZXQFVYXDCAWBF-QHCPKHFHSA-N	0	0	508.644	3.097	50	0		KGAARN
Cc1cccc(CNC(=O)[C@@H]2CCCN(c3ccc4cc(S(=O)(=O)N5CCOCC5)ccc4n3)C2)c1	ZINC000033255724	553915279	/nfs/dbraw/zinc/91/52/79/553915279.db2.gz	KYACPAOEWJZOIF-HSZRJFAPSA-N	0	0	508.644	3.097	50	0		KGAARN
Cc1cccc(CNC(=O)[C@H]2CCCN(c3ccc4cc(S(=O)(=O)N5CCOCC5)ccc4n3)C2)c1	ZINC000033255725	553915200	/nfs/dbraw/zinc/91/52/00/553915200.db2.gz	KYACPAOEWJZOIF-QHCPKHFHSA-N	0	0	508.644	3.097	50	0		KGAARN
C[NH+]1CCN(c2cc(C(=O)[O-])c3cc(NS(=O)(=O)c4ccc(Br)cc4)ccc3n2)CC1	ZINC000033256339	553915131	/nfs/dbraw/zinc/91/51/31/553915131.db2.gz	CWLBSFHGPUACLK-UHFFFAOYSA-N	0	0	505.394	3.248	50	0		KGAARN
CCOC(=O)[C@@H]1CCCN(C(=O)CCCn2nc(C)c3nn(-c4ccccc4)c(-n4cccc4)c3c2=O)C1	ZINC000033261385	553916256	/nfs/dbraw/zinc/91/62/56/553916256.db2.gz	KZSHNOTVUCPHIJ-OAQYLSRUSA-N	0	0	516.602	3.263	50	0		KGAARN
CCOC(=O)[C@H]1CCCN(C(=O)CCCn2nc(C)c3nn(-c4ccccc4)c(-n4cccc4)c3c2=O)C1	ZINC000033261386	553916184	/nfs/dbraw/zinc/91/61/84/553916184.db2.gz	KZSHNOTVUCPHIJ-NRFANRHFSA-N	0	0	516.602	3.263	50	0		KGAARN
COc1cccc(Cn2c(C(=O)N3CCC(C(=O)NCCN4CCOCC4)CC3)cc3ccsc32)c1	ZINC000033261529	553916317	/nfs/dbraw/zinc/91/63/17/553916317.db2.gz	PIUOAWXKTBMENJ-UHFFFAOYSA-N	0	0	510.660	3.060	50	0		KGAARN
O=C(Nc1ccc2c(c1)OCO2)c1nnc(C(=O)N2CCC[C@@H](C(=O)Nc3cc(F)ccc3F)C2)s1	ZINC000033263640	1059553831	/nfs/dbraw/zinc/55/38/31/1059553831.db2.gz	DUDGHHXQIKNBGA-GFCCVEGCSA-N	0	0	515.498	3.288	50	0		KGAARN
O=C(Nc1ccc2c(c1)OCO2)c1nnc(C(=O)N2CCC[C@H](C(=O)Nc3cc(F)ccc3F)C2)s1	ZINC000033263641	1059553779	/nfs/dbraw/zinc/55/37/79/1059553779.db2.gz	DUDGHHXQIKNBGA-LBPRGKRZSA-N	0	0	515.498	3.288	50	0		KGAARN
O=C(Nc1ccc2c(c1)OCO2)c1nnc(C(=O)N2CCC[C@@H](C(=O)NCCC3=CCCCC3)C2)s1	ZINC000033263642	553916576	/nfs/dbraw/zinc/91/65/76/553916576.db2.gz	REJNPTKWGUFKNV-QGZVFWFLSA-N	0	0	511.604	3.378	50	0		KGAARN
O=C(Nc1ccc2c(c1)OCO2)c1nnc(C(=O)N2CCC[C@H](C(=O)NCCC3=CCCCC3)C2)s1	ZINC000033263643	553916593	/nfs/dbraw/zinc/91/65/93/553916593.db2.gz	REJNPTKWGUFKNV-KRWDZBQOSA-N	0	0	511.604	3.378	50	0		KGAARN
Cc1cc(F)ccc1NC(=O)[C@@H]1CCCN(C(=O)c2nnc(C(=O)Nc3ccc4c(c3)OCO4)s2)C1	ZINC000033263644	553916586	/nfs/dbraw/zinc/91/65/86/553916586.db2.gz	FOUJNJZYINJZSP-CQSZACIVSA-N	0	0	511.535	3.458	50	0		KGAARN
Cc1cc(F)ccc1NC(=O)[C@H]1CCCN(C(=O)c2nnc(C(=O)Nc3ccc4c(c3)OCO4)s2)C1	ZINC000033263645	553916635	/nfs/dbraw/zinc/91/66/35/553916635.db2.gz	FOUJNJZYINJZSP-AWEZNQCLSA-N	0	0	511.535	3.458	50	0		KGAARN
COc1ccc(OC)c(S(=O)(=O)N2CCN(Cc3nc4cccnc4n3-c3ccc(C)cc3)CC2)c1	ZINC000033265885	553916950	/nfs/dbraw/zinc/91/69/50/553916950.db2.gz	KSWMZIXTJBDTAS-UHFFFAOYSA-N	0	0	507.616	3.253	50	0		KGAARN
COC(=O)c1ncn2c1C(=O)N(Cc1cccc(Br)c1)[C@](C)(C(=O)NCc1ccccc1)C2	ZINC000033265944	553916913	/nfs/dbraw/zinc/91/69/13/553916913.db2.gz	JKXODSVZPVJBPI-DEOSSOPVSA-N	0	0	511.376	3.163	50	0		KGAARN
COC(=O)c1ncn2c1C(=O)N(Cc1cccc(Br)c1)[C@@](C)(C(=O)NCc1ccccc1)C2	ZINC000033265945	553916970	/nfs/dbraw/zinc/91/69/70/553916970.db2.gz	JKXODSVZPVJBPI-XMMPIXPASA-N	0	0	511.376	3.163	50	0		KGAARN
COC(=O)c1ncn2c1C(=O)N(c1ccc(OC)c(Cl)c1)[C@](C)(C(=O)NCc1ccccc1OC)C2	ZINC000033266000	553916885	/nfs/dbraw/zinc/91/68/85/553916885.db2.gz	GRFPVYMQQNXSFF-VWLOTQADSA-N	0	0	512.950	3.076	50	0		KGAARN
COC(=O)c1ncn2c1C(=O)N(c1ccc(OC)c(Cl)c1)[C@@](C)(C(=O)NCc1ccccc1OC)C2	ZINC000033266001	553916910	/nfs/dbraw/zinc/91/69/10/553916910.db2.gz	GRFPVYMQQNXSFF-RUZDIDTESA-N	0	0	512.950	3.076	50	0		KGAARN
COC(=O)c1ncn2c1C(=O)N(Cc1ccc(F)cc1Cl)[C@](C)(C(=O)NCc1ccccc1OC)C2	ZINC000033266008	553916957	/nfs/dbraw/zinc/91/69/57/553916957.db2.gz	YEYXZFLMEZPTKD-VWLOTQADSA-N	0	0	514.941	3.202	50	0		KGAARN
COC(=O)c1ncn2c1C(=O)N(Cc1ccc(F)cc1Cl)[C@@](C)(C(=O)NCc1ccccc1OC)C2	ZINC000033266009	553916908	/nfs/dbraw/zinc/91/69/08/553916908.db2.gz	YEYXZFLMEZPTKD-RUZDIDTESA-N	0	0	514.941	3.202	50	0		KGAARN
COC(=O)c1ncn2c1C(=O)N(Cc1ccc(OC(C)C)cc1)[C@](C)(C(=O)NCc1ccc(C)cc1)C2	ZINC000033266100	553916953	/nfs/dbraw/zinc/91/69/53/553916953.db2.gz	UDBBIPFGWNZUTN-NDEPHWFRSA-N	0	0	504.587	3.496	50	0		KGAARN
COC(=O)c1ncn2c1C(=O)N(Cc1ccc(OC(C)C)cc1)[C@@](C)(C(=O)NCc1ccc(C)cc1)C2	ZINC000033266101	553916889	/nfs/dbraw/zinc/91/68/89/553916889.db2.gz	UDBBIPFGWNZUTN-MUUNZHRXSA-N	0	0	504.587	3.496	50	0		KGAARN
COc1ccc(S(=O)(=O)N2CCC(c3nnc(C(=O)Nc4ccc5c(c4)OCO5)s3)CC2)cc1	ZINC000033273266	553919376	/nfs/dbraw/zinc/91/93/76/553919376.db2.gz	IQCJTMZYGQYAEM-UHFFFAOYSA-N	0	0	502.574	3.096	50	0		KGAARN
CCOc1ccc(S(=O)(=O)N2CCC(c3nnc(C(=O)Nc4ccc5c(c4)OCO5)s3)CC2)cc1	ZINC000033273280	553919705	/nfs/dbraw/zinc/91/97/05/553919705.db2.gz	FNAJMGIGHDWQNG-UHFFFAOYSA-N	0	0	516.601	3.486	50	0		KGAARN
O=C(Nc1ccc2c(c1)OCO2)c1nnc(C2CCN(S(=O)(=O)c3cc(F)ccc3F)CC2)s1	ZINC000033273282	553919614	/nfs/dbraw/zinc/91/96/14/553919614.db2.gz	IKBCFOKHOHNMPM-UHFFFAOYSA-N	0	0	508.528	3.366	50	0		KGAARN
O=C(Nc1ccc2c(c1)OCO2)c1nnc(C2CCN(S(=O)(=O)c3ccc(F)cc3F)CC2)s1	ZINC000033273285	553919695	/nfs/dbraw/zinc/91/96/95/553919695.db2.gz	OKRISYGQJFKLJJ-UHFFFAOYSA-N	0	0	508.528	3.366	50	0		KGAARN
COc1cc(OC)cc(-c2nc(-c3ccc(S(=O)(=O)N4CCC(C(=O)N5CCCC5)CC4)cc3)no2)c1	ZINC000033276855	553919681	/nfs/dbraw/zinc/91/96/81/553919681.db2.gz	MJSMMVNVKTZECC-UHFFFAOYSA-N	0	0	526.615	3.444	50	0		KGAARN
O=C(C1CCN(S(=O)(=O)c2ccc(-c3noc(-c4ccc5c(c4)OCO5)n3)cc2)CC1)N1CCCC1	ZINC000033276856	553919576	/nfs/dbraw/zinc/91/95/76/553919576.db2.gz	FSCPUGHDSVTFFG-UHFFFAOYSA-N	0	0	510.572	3.155	50	0		KGAARN
Cn1c(=O)c(=O)n(C)c2cc(S(=O)(=O)c3ccc(F)cc3)c(NC(=O)c3ccc(Cl)cc3)cc21	ZINC000033276934	553919976	/nfs/dbraw/zinc/91/99/76/553919976.db2.gz	VLCQCQPXWJQCHT-UHFFFAOYSA-N	0	0	501.923	3.115	50	0		KGAARN
Cn1c2ccc(/C=C3\SC(=O)N(CC(=O)Nc4ccc(Br)cc4)C3=O)cc2n(C)c1=O	ZINC000033293603	553920609	/nfs/dbraw/zinc/92/06/09/553920609.db2.gz	WXNNMSRUXKRKQK-YVLHZVERSA-N	0	0	501.362	3.315	50	0		KGAARN
Cn1cc(C(=O)Nc2ccc3c(c2)CCC3)c(S(=O)(=O)N2CCN(c3cccc(Cl)c3)CC2)n1	ZINC000033310007	553920724	/nfs/dbraw/zinc/92/07/24/553920724.db2.gz	AHEBOBAWNDFRNS-UHFFFAOYSA-N	0	0	500.024	3.325	50	0		KGAARN
O=C(CSc1nc2c(c(=O)[nH]1)CN(Cc1ccc(F)cc1)CC2)N1CCN(c2ccccc2F)CC1	ZINC000033331770	553920999	/nfs/dbraw/zinc/92/09/99/553920999.db2.gz	KMWMOXRUMSQAJU-UHFFFAOYSA-N	0	0	511.598	3.460	50	0		KGAARN
COC(=O)c1sccc1NC(=O)CSc1nc2c(c(=O)[nH]1)CN(Cc1ccc(OC)cc1)CC2	ZINC000033331808	553921269	/nfs/dbraw/zinc/92/12/69/553921269.db2.gz	XPIRZNSZAVKYSL-UHFFFAOYSA-N	0	0	500.602	3.328	50	0		KGAARN
CCN1C(=O)/C(=c2/s/c(=C3/Sc4ccccc4N3CC)c(=O)n2CC)N(c2ccccc2)C1=S	ZINC000033347640	553921805	/nfs/dbraw/zinc/92/18/05/553921805.db2.gz	LMKHLYICKBQSIT-SRPFLQSCSA-N	0	0	508.694	3.389	50	0		KGAARN
NS(=O)(=O)c1ccc(NC(=S)N[C@@H](NC(=O)c2cccc(Cl)c2)C(Cl)(Cl)Cl)cc1	ZINC000033353063	553922897	/nfs/dbraw/zinc/92/28/97/553922897.db2.gz	KKZQVFVURNYQTL-CQSZACIVSA-N	0	0	516.259	3.400	50	0		KGAARN
NS(=O)(=O)c1ccc(NC(=S)N[C@H](NC(=O)c2cccc(Cl)c2)C(Cl)(Cl)Cl)cc1	ZINC000033353064	553922901	/nfs/dbraw/zinc/92/29/01/553922901.db2.gz	KKZQVFVURNYQTL-AWEZNQCLSA-N	0	0	516.259	3.400	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)ccc3OC(C)=O)c(=O)n2[C@@H]1c1ccccc1	ZINC000033353208	553923835	/nfs/dbraw/zinc/92/38/35/553923835.db2.gz	MLEBHNZHOZEGNV-WVWKGNOCSA-N	0	0	541.423	3.486	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)ccc3OC(C)=O)c(=O)n2[C@H]1c1ccccc1	ZINC000033353209	553923814	/nfs/dbraw/zinc/92/38/14/553923814.db2.gz	MLEBHNZHOZEGNV-IMEWXKHHSA-N	0	0	541.423	3.486	50	0		KGAARN
CCOC(=O)[C@@H](Cc1ccc(NC(=O)/C(=C\c2ccc(OC(C)=O)cc2)NC(C)=O)cc1)N1C(=O)c2ccccc2C1=O	ZINC000033353367	553924747	/nfs/dbraw/zinc/92/47/47/553924747.db2.gz	DKXZTQMNGUHVLK-GSJFZTJBSA-N	0	0	583.597	3.498	50	0		KGAARN
CCOC(=O)[C@H](Cc1ccc(NC(=O)/C(=C\c2ccc(OC(C)=O)cc2)NC(C)=O)cc1)N1C(=O)c2ccccc2C1=O	ZINC000033353368	553924758	/nfs/dbraw/zinc/92/47/58/553924758.db2.gz	DKXZTQMNGUHVLK-ITQMKJDXSA-N	0	0	583.597	3.498	50	0		KGAARN
O=C(Nc1ccncc1NC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc(S(=O)(=O)N2CCCC2)cc1	ZINC000033353545	553925889	/nfs/dbraw/zinc/92/58/89/553925889.db2.gz	YRXVCOLMVVHKAD-UHFFFAOYSA-N	0	0	583.692	3.155	50	0		KGAARN
O=C1[C@@H]2CC=C(Cl)C[C@@H]2C(=O)N1CN(CCOCc1ccccc1)CN1C(=O)[C@H]2CC=C(Cl)C[C@@H]2C1=O	ZINC000033353604	553926133	/nfs/dbraw/zinc/92/61/33/553926133.db2.gz	QCXZTEQVOHGODQ-BJESRGMDSA-N	0	0	546.451	3.456	50	0		KGAARN
Cc1ccc2nsnc2c1NC(=O)CSc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(Cl)cc1	ZINC000033353713	553926830	/nfs/dbraw/zinc/92/68/30/553926830.db2.gz	FQWRYCCLWBLUPE-UHFFFAOYSA-N	0	0	542.046	3.179	50	0		KGAARN
C[C@@H]1CN(S(=O)(=O)c2ccc(Sc3ccc(S(=O)(=O)N4C[C@@H](C)O[C@@H](C)C4)cc3)cc2)C[C@@H](C)O1	ZINC000033353806	553927102	/nfs/dbraw/zinc/92/71/02/553927102.db2.gz	IGOVHLLKYZMJQM-WTGUMLROSA-N	0	0	540.729	3.434	50	0		KGAARN
C[C@@H]1CN(S(=O)(=O)c2ccc(Sc3ccc(S(=O)(=O)N4C[C@@H](C)O[C@@H](C)C4)cc3)cc2)C[C@H](C)O1	ZINC000033353810	553927173	/nfs/dbraw/zinc/92/71/73/553927173.db2.gz	IGOVHLLKYZMJQM-FGYAAKKASA-N	0	0	540.729	3.434	50	0		KGAARN
C[C@@H]1CN(S(=O)(=O)c2ccc(Sc3ccc(S(=O)(=O)N4C[C@H](C)O[C@@H](C)C4)cc3)cc2)C[C@@H](C)O1	ZINC000033353813	553927081	/nfs/dbraw/zinc/92/70/81/553927081.db2.gz	IGOVHLLKYZMJQM-XLLXOSNRSA-N	0	0	540.729	3.434	50	0		KGAARN
C[C@@H]1CN(S(=O)(=O)c2ccc(Sc3ccc(S(=O)(=O)N4C[C@H](C)O[C@@H](C)C4)cc3)cc2)C[C@H](C)O1	ZINC000033353816	553927138	/nfs/dbraw/zinc/92/71/38/553927138.db2.gz	IGOVHLLKYZMJQM-LWYYNNOASA-N	0	0	540.729	3.434	50	0		KGAARN
O=C(C[C@H]1OC(=O)C(Br)=C1Br)C[C@@H]1OC(=O)C(Br)=C1Br	ZINC000033353930	553927577	/nfs/dbraw/zinc/92/75/77/553927577.db2.gz	JBKIAVORONZIJW-SYDPRGILSA-N	0	0	537.780	3.189	50	0		KGAARN
O=C(C[C@@H]1OC(=O)C(Br)=C1Br)C[C@@H]1OC(=O)C(Br)=C1Br	ZINC000033353932	553927557	/nfs/dbraw/zinc/92/75/57/553927557.db2.gz	JBKIAVORONZIJW-WHFBIAKZSA-N	0	0	537.780	3.189	50	0		KGAARN
O=C(C[C@H]1OC(=O)C(Br)=C1Br)C[C@H]1OC(=O)C(Br)=C1Br	ZINC000033353935	553927474	/nfs/dbraw/zinc/92/74/74/553927474.db2.gz	JBKIAVORONZIJW-RFZPGFLSSA-N	0	0	537.780	3.189	50	0		KGAARN
O=c1/c(=C/c2cn(-c3ccccc3)nc2-c2ccc3c(c2)OCCO3)sc2nc(=O)c(-c3ccccc3)nn12	ZINC000033354013	553928084	/nfs/dbraw/zinc/92/80/84/553928084.db2.gz	SFGRSAFMPJGVRL-JLPGSUDCSA-N	0	0	533.569	3.350	50	0		KGAARN
O=S(=O)(NCCSCSc1nnc(SCCNS(=O)(=O)c2ccccc2)s1)c1ccccc1	ZINC000033354641	553930549	/nfs/dbraw/zinc/93/05/49/553930549.db2.gz	GYOZWLFOFMLBTM-UHFFFAOYSA-N	0	0	562.811	3.370	50	0		KGAARN
Cc1ccc(-c2nn(CC(=O)NCc3ccccn3)c(=O)c3ccccc32)cc1S(=O)(=O)N1CCCCC1	ZINC000033354889	553931890	/nfs/dbraw/zinc/93/18/90/553931890.db2.gz	JZJMVLGQOUEXOM-UHFFFAOYSA-N	0	0	531.638	3.258	50	0		KGAARN
O=C1c2ccc(-n3c(=O)c4cc5c(cc4c3=O)c(=O)n(-c3ccc4c(c3)C(=O)N(c3ccccc3)C4=O)c5=O)cc2C(=O)N1c1ccccc1	ZINC000033355215	553933696	/nfs/dbraw/zinc/93/36/96/553933696.db2.gz	NGJCELJGVPZCRY-UHFFFAOYSA-N	0	0	658.582	3.492	50	0		KGAARN
COC(=O)c1ccc(NC(=O)C[C@H]2C(=O)N(c3cccc(C(F)(F)F)c3)C(=S)N2CCN2CCOCC2)cc1	ZINC000033355239	553933744	/nfs/dbraw/zinc/93/37/44/553933744.db2.gz	BTJKOIJJZGXKJC-NRFANRHFSA-N	0	0	564.586	3.155	50	0		KGAARN
COC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)N(c3cccc(C(F)(F)F)c3)C(=S)N2CCN2CCOCC2)cc1	ZINC000033355241	553933757	/nfs/dbraw/zinc/93/37/57/553933757.db2.gz	BTJKOIJJZGXKJC-OAQYLSRUSA-N	0	0	564.586	3.155	50	0		KGAARN
COC(=O)c1ccc(NC(=O)CSc2nn3c(SCC(=O)Nc4ccc(C(=O)OC)cc4)nnc3s2)cc1	ZINC000033355327	553934250	/nfs/dbraw/zinc/93/42/50/553934250.db2.gz	BSNFKWXCKXWMFJ-UHFFFAOYSA-N	0	0	572.650	3.221	50	0		KGAARN
O=C(CSc1ccc2nnc(CCNS(=O)(=O)c3ccccc3)n2n1)Nc1ccc(OC(F)(F)F)cc1	ZINC000033355719	553936448	/nfs/dbraw/zinc/93/64/48/553936448.db2.gz	IOTNRINEHMSYQD-UHFFFAOYSA-N	0	0	552.560	3.275	50	0		KGAARN
Cc1ccc(S(=O)(=O)NCCc2nnc3ccc(SCC(=O)Nc4ccc(Br)cc4)nn32)cc1	ZINC000033355723	553936337	/nfs/dbraw/zinc/93/63/37/553936337.db2.gz	YXLCNHPYKDWWOQ-UHFFFAOYSA-N	0	0	561.487	3.447	50	0		KGAARN
C[C@@H]1Cc2cc(S(=O)(=O)N3CCC(C(=O)N4CCn5c6ccccc6nc54)CC3)ccc2N1C(=O)C1CC1	ZINC000033355727	553936736	/nfs/dbraw/zinc/93/67/36/553936736.db2.gz	GPPBYLZPPDKQCL-GOSISDBHSA-N	0	0	533.654	3.171	50	0		KGAARN
C[C@H]1Cc2cc(S(=O)(=O)N3CCC(C(=O)N4CCn5c6ccccc6nc54)CC3)ccc2N1C(=O)C1CC1	ZINC000033355728	553936740	/nfs/dbraw/zinc/93/67/40/553936740.db2.gz	GPPBYLZPPDKQCL-SFHVURJKSA-N	0	0	533.654	3.171	50	0		KGAARN
CN(C(=O)CCc1nc(CN2CCN(S(=O)(=O)c3ccc(Br)s3)CC2)no1)C1CCCCC1	ZINC000033355751	553936754	/nfs/dbraw/zinc/93/67/54/553936754.db2.gz	DRRPLBRXUAOVRZ-UHFFFAOYSA-N	0	0	560.540	3.124	50	0		KGAARN
CC(=O)Nc1nonc1-n1nnc([C@@H]2OC(c3cccc(Br)c3)=NN2C(C)=O)c1-c1ccccc1	ZINC000033355839	553937563	/nfs/dbraw/zinc/93/75/63/553937563.db2.gz	FPYOGNILWQNOCB-QFIPXVFZSA-N	0	0	537.334	3.277	50	0		KGAARN
CC(=O)Nc1nonc1-n1nnc([C@H]2OC(c3cccc(Br)c3)=NN2C(C)=O)c1-c1ccccc1	ZINC000033355840	553937567	/nfs/dbraw/zinc/93/75/67/553937567.db2.gz	FPYOGNILWQNOCB-JOCHJYFZSA-N	0	0	537.334	3.277	50	0		KGAARN
CC(=O)Oc1ccc(C2=NN(C(C)=O)[C@@H](CN(C(C)=O)c3ccc(Br)cc3)O2)c(OC(C)=O)c1	ZINC000033355849	553937565	/nfs/dbraw/zinc/93/75/65/553937565.db2.gz	ZXMOMKSVGSQKJM-JOCHJYFZSA-N	0	0	532.347	3.219	50	0		KGAARN
CC(=O)Oc1ccc(C2=NN(C(C)=O)[C@H](CN(C(C)=O)c3ccc(Br)cc3)O2)c(OC(C)=O)c1	ZINC000033355850	553937600	/nfs/dbraw/zinc/93/76/00/553937600.db2.gz	ZXMOMKSVGSQKJM-QFIPXVFZSA-N	0	0	532.347	3.219	50	0		KGAARN
CC(=O)Oc1ccc(C2=NN(C(C)=O)[C@@H](CN(C(C)=O)c3ccc(I)cc3C)O2)c(OC(C)=O)c1	ZINC000033355851	553937606	/nfs/dbraw/zinc/93/76/06/553937606.db2.gz	YINBFJLMVVYZOY-HSZRJFAPSA-N	0	0	593.374	3.370	50	0		KGAARN
CC(=O)Oc1ccc(C2=NN(C(C)=O)[C@H](CN(C(C)=O)c3ccc(I)cc3C)O2)c(OC(C)=O)c1	ZINC000033355852	553937570	/nfs/dbraw/zinc/93/75/70/553937570.db2.gz	YINBFJLMVVYZOY-QHCPKHFHSA-N	0	0	593.374	3.370	50	0		KGAARN
Cc1nn(CC(=O)N2CCc3ccccc32)c(C)c1S(=O)(=O)N1CCC(C(=O)NC2CCCCCC2)CC1	ZINC000033355885	553937947	/nfs/dbraw/zinc/93/79/47/553937947.db2.gz	JAHLEFLXXJYBAR-UHFFFAOYSA-N	0	0	541.718	3.329	50	0		KGAARN
Cc1nn(CC(=O)N2CCc3ccccc32)c(C)c1S(=O)(=O)N1CCC(C(=O)Nc2ccc(F)cc2)CC1	ZINC000033355886	553937931	/nfs/dbraw/zinc/93/79/31/553937931.db2.gz	NJTPMOPVZJAYQW-UHFFFAOYSA-N	0	0	539.633	3.268	50	0		KGAARN
Cc1cccc2nc(Cn3c4ccccc4c(=O)n(Cc4ccc(C(=O)NCc5ccc6c(c5)OCO6)cc4)c3=O)cc(=O)n12	ZINC000033356051	553938533	/nfs/dbraw/zinc/93/85/33/553938533.db2.gz	QEAFWQJDASCQNL-UHFFFAOYSA-N	0	0	601.619	3.235	50	0		KGAARN
O=C(Cc1ccc(-n2c(=O)c3ccccc3n(CC(=O)Nc3ccc(Cl)cc3)c2=O)cc1)NC[C@@H]1CCCO1	ZINC000033356068	553938640	/nfs/dbraw/zinc/93/86/40/553938640.db2.gz	FXXQYLGGNFOIRH-QHCPKHFHSA-N	0	0	547.011	3.282	50	0		KGAARN
O=C(Cc1ccc(-n2c(=O)c3ccccc3n(CC(=O)Nc3ccc(Cl)cc3)c2=O)cc1)NC[C@H]1CCCO1	ZINC000033356069	553938623	/nfs/dbraw/zinc/93/86/23/553938623.db2.gz	FXXQYLGGNFOIRH-HSZRJFAPSA-N	0	0	547.011	3.282	50	0		KGAARN
O=C(Cc1ccc(-n2c(=O)c3ccccc3n(CC(=O)Nc3ccc(Br)cc3)c2=O)cc1)NC[C@@H]1CCCO1	ZINC000033356072	553938899	/nfs/dbraw/zinc/93/88/99/553938899.db2.gz	CRGAUUZVVUYHAQ-QHCPKHFHSA-N	0	0	591.462	3.391	50	0		KGAARN
O=C(Cc1ccc(-n2c(=O)c3ccccc3n(CC(=O)Nc3ccc(Br)cc3)c2=O)cc1)NC[C@H]1CCCO1	ZINC000033356073	553938937	/nfs/dbraw/zinc/93/89/37/553938937.db2.gz	CRGAUUZVVUYHAQ-HSZRJFAPSA-N	0	0	591.462	3.391	50	0		KGAARN
COc1cc(NC(=O)Cn2c3ccccc3c(=O)n(-c3ccc(CC(=O)NC4CCCC4)cc3)c2=O)cc(OC)c1	ZINC000033356074	553938827	/nfs/dbraw/zinc/93/88/27/553938827.db2.gz	BQQGFBWUCHEGIG-UHFFFAOYSA-N	0	0	556.619	3.410	50	0		KGAARN
Cc1cccc2nc(Cn3c4ccccc4c(=O)n(-c4ccc(CC(=O)NCCc5ccccc5)cc4)c3=O)cc(=O)n12	ZINC000033356075	553938904	/nfs/dbraw/zinc/93/89/04/553938904.db2.gz	ASQMUPLNLRLPLF-UHFFFAOYSA-N	0	0	571.637	3.418	50	0		KGAARN
CCOC(=O)c1ccc(NC(=O)Cn2c3ccc(Cl)cc3c(=O)n(CCCC(=O)NC3CCCC3)c2=O)cc1	ZINC000033356081	553938823	/nfs/dbraw/zinc/93/88/23/553938823.db2.gz	YFWJCCYMKKJBTQ-UHFFFAOYSA-N	0	0	555.031	3.471	50	0		KGAARN
O=C(NC[C@@H]1COc2ccccc2O1)[C@H](NS(=O)(=O)c1ccc(Br)s1)c1ccccc1	ZINC000033356099	553938892	/nfs/dbraw/zinc/93/88/92/553938892.db2.gz	ZETHCWAPCGANJF-FOIQADDNSA-N	0	0	523.430	3.486	50	0		KGAARN
O=C(NC[C@@H]1COc2ccccc2O1)[C@@H](NS(=O)(=O)c1ccc(Br)s1)c1ccccc1	ZINC000033356100	553938844	/nfs/dbraw/zinc/93/88/44/553938844.db2.gz	ZETHCWAPCGANJF-QRWLVFNGSA-N	0	0	523.430	3.486	50	0		KGAARN
O=C(NC[C@H]1COc2ccccc2O1)[C@H](NS(=O)(=O)c1ccc(Br)s1)c1ccccc1	ZINC000033356101	553939394	/nfs/dbraw/zinc/93/93/94/553939394.db2.gz	ZETHCWAPCGANJF-MGPUTAFESA-N	0	0	523.430	3.486	50	0		KGAARN
O=C(NC[C@H]1COc2ccccc2O1)[C@@H](NS(=O)(=O)c1ccc(Br)s1)c1ccccc1	ZINC000033356102	553939223	/nfs/dbraw/zinc/93/92/23/553939223.db2.gz	ZETHCWAPCGANJF-YWZLYKJASA-N	0	0	523.430	3.486	50	0		KGAARN
O=C(NCc1ccc2c(c1)OCO2)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Br)s1	ZINC000033356114	553939352	/nfs/dbraw/zinc/93/93/52/553939352.db2.gz	ORQXSLHVTJPYIB-INIZCTEOSA-N	0	0	523.430	3.445	50	0		KGAARN
O=C(NCc1ccc2c(c1)OCO2)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Br)s1	ZINC000033356115	553939257	/nfs/dbraw/zinc/93/92/57/553939257.db2.gz	ORQXSLHVTJPYIB-MRXNPFEDSA-N	0	0	523.430	3.445	50	0		KGAARN
Cc1cc(C)n(-c2nc3ccccc3nc2N2CCN(S(=O)(=O)c3ccc(N4CCCC4=O)cc3)CC2)n1	ZINC000033356162	553939869	/nfs/dbraw/zinc/93/98/69/553939869.db2.gz	AEXHEXORZBEOTR-UHFFFAOYSA-N	0	0	531.642	3.070	50	0		KGAARN
CCOC(=O)C1CCN(C(=O)c2ccc3c(c2)NC(=O)[C@H](CS(=O)(=O)Cc2ccccc2Cl)N3)CC1	ZINC000033356258	553940124	/nfs/dbraw/zinc/94/01/24/553940124.db2.gz	OYELDHWEZMUSNC-QFIPXVFZSA-N	0	0	534.034	3.103	50	0		KGAARN
CCOC(=O)C1CCN(C(=O)c2ccc3c(c2)NC(=O)[C@@H](CS(=O)(=O)Cc2ccccc2Cl)N3)CC1	ZINC000033356260	553940170	/nfs/dbraw/zinc/94/01/70/553940170.db2.gz	OYELDHWEZMUSNC-JOCHJYFZSA-N	0	0	534.034	3.103	50	0		KGAARN
O=C(c1ccc2c(c1)NC(=O)[C@H](CS(=O)(=O)Cc1ccccc1Cl)N2)N1CCN(Cc2ccc3c(c2)OCO3)CC1	ZINC000033356265	553940148	/nfs/dbraw/zinc/94/01/48/553940148.db2.gz	LTLRTCFBJUKQDX-VWLOTQADSA-N	0	0	597.093	3.374	50	0		KGAARN
O=C(c1ccc2c(c1)NC(=O)[C@@H](CS(=O)(=O)Cc1ccccc1Cl)N2)N1CCN(Cc2ccc3c(c2)OCO3)CC1	ZINC000033356266	553940113	/nfs/dbraw/zinc/94/01/13/553940113.db2.gz	LTLRTCFBJUKQDX-RUZDIDTESA-N	0	0	597.093	3.374	50	0		KGAARN
Cc1cccc(CS(=O)(=O)C[C@@H]2Nc3ccc(C(=O)N4CCN(c5ccc(F)cc5)CC4)cc3NC2=O)c1	ZINC000033356268	553940187	/nfs/dbraw/zinc/94/01/87/553940187.db2.gz	RTAKORYQFZBARY-SANMLTNESA-N	0	0	536.629	3.444	50	0		KGAARN
Cc1cccc(CS(=O)(=O)C[C@H]2Nc3ccc(C(=O)N4CCN(c5ccc(F)cc5)CC4)cc3NC2=O)c1	ZINC000033356270	553940127	/nfs/dbraw/zinc/94/01/27/553940127.db2.gz	RTAKORYQFZBARY-AREMUKBSSA-N	0	0	536.629	3.444	50	0		KGAARN
COc1cc2nc(=S)n3c(O)c(CCC(=O)N4CCN(c5ccc(Cl)cc5)CC4)[nH]c3c2cc1OC	ZINC000033356348	553940979	/nfs/dbraw/zinc/94/09/79/553940979.db2.gz	ZMLCNMSTHRCLBY-GOSISDBHSA-N	0	0	528.034	3.154	50	0		KGAARN
COc1cc2nc(=S)n3c(O)c(CCC(=O)N4CCN(c5ccc(Cl)cc5)CC4)[nH]c3c2cc1OC	ZINC000033356349	553940905	/nfs/dbraw/zinc/94/09/05/553940905.db2.gz	ZMLCNMSTHRCLBY-SFHVURJKSA-N	0	0	528.034	3.154	50	0		KGAARN
CC(=O)c1ccc(N2CCN(C(=O)[C@@H](NS(=O)(=O)c3cccc4nsnc43)c3ccccc3)CC2)cc1	ZINC000033356363	553940967	/nfs/dbraw/zinc/94/09/67/553940967.db2.gz	FOCMMDFNKKDTRX-DEOSSOPVSA-N	0	0	535.651	3.262	50	0		KGAARN
CC(=O)c1ccc(N2CCN(C(=O)[C@H](NS(=O)(=O)c3cccc4nsnc43)c3ccccc3)CC2)cc1	ZINC000033356364	553940969	/nfs/dbraw/zinc/94/09/69/553940969.db2.gz	FOCMMDFNKKDTRX-XMMPIXPASA-N	0	0	535.651	3.262	50	0		KGAARN
CCOC(=O)c1ccccc1NC(=O)Cn1c2cc(C(=O)NC3CCCC3)ccc2c(=O)n(Cc2ccco2)c1=O	ZINC000033356372	553940924	/nfs/dbraw/zinc/94/09/24/553940924.db2.gz	PGBDICFPVCNDGP-UHFFFAOYSA-N	0	0	558.591	3.292	50	0		KGAARN
CCOC(=O)[C@@H]1CCCN(C(=O)c2cn(CC)c3ccc(S(=O)(=O)N4CCc5ccccc5C4)cc3c2=O)C1	ZINC000033356392	553941131	/nfs/dbraw/zinc/94/11/31/553941131.db2.gz	CRXBFQJFZLUMTO-JOCHJYFZSA-N	0	0	551.665	3.184	50	0		KGAARN
CCOC(=O)[C@H]1CCCN(C(=O)c2cn(CC)c3ccc(S(=O)(=O)N4CCc5ccccc5C4)cc3c2=O)C1	ZINC000033356393	553941111	/nfs/dbraw/zinc/94/11/11/553941111.db2.gz	CRXBFQJFZLUMTO-QFIPXVFZSA-N	0	0	551.665	3.184	50	0		KGAARN
CCn1cc(C(=O)NCc2ccc3c(c2)OCO3)c(=O)c2cc(S(=O)(=O)N3CCc4ccccc4C3)ccc21	ZINC000033356394	553941014	/nfs/dbraw/zinc/94/10/14/553941014.db2.gz	GTLFGADHEFXBSZ-UHFFFAOYSA-N	0	0	545.617	3.427	50	0		KGAARN
CCN1CCN(c2nc(Oc3ccc(OC)cc3)c3c(c2Cl)S(=O)(=O)CCN3C[C@@H]2CCCO2)CC1	ZINC000033356502	553942074	/nfs/dbraw/zinc/94/20/74/553942074.db2.gz	ZYMCYGABLAERPS-FQEVSTJZSA-N	0	0	537.082	3.451	50	0		KGAARN
CCN1CCN(c2nc(Oc3ccc(OC)cc3)c3c(c2Cl)S(=O)(=O)CCN3C[C@H]2CCCO2)CC1	ZINC000033356504	553942095	/nfs/dbraw/zinc/94/20/95/553942095.db2.gz	ZYMCYGABLAERPS-HXUWFJFHSA-N	0	0	537.082	3.451	50	0		KGAARN
CCOC(=O)N1CCN(c2nc(F)c3c(c2F)S(=O)(=O)CCN3Cc2cccc(Br)c2)CC1	ZINC000033356509	553942085	/nfs/dbraw/zinc/94/20/85/553942085.db2.gz	UFFCJPGZGNWLCS-UHFFFAOYSA-N	0	0	545.406	3.195	50	0		KGAARN
CCOC(=O)CSc1nc2cc(C(=O)N3CCN(C(=O)OCC)CC3)ccc2c(=O)n1Cc1ccccc1	ZINC000033356539	553942360	/nfs/dbraw/zinc/94/23/60/553942360.db2.gz	PIUJJMHLPLUDLL-UHFFFAOYSA-N	0	0	538.626	3.014	50	0		KGAARN
CC1CCN(S(=O)(=O)c2ccc3c(c2)N(CC(=O)N2CCN(c4cccc(C(F)(F)F)c4)CC2)C(=O)CO3)CC1	ZINC000033356568	553942486	/nfs/dbraw/zinc/94/24/86/553942486.db2.gz	YSLPWVCFJBZLSO-UHFFFAOYSA-N	0	0	580.629	3.200	50	0		KGAARN
COc1ccc(CCNC(=O)C[C@H](C(=O)NCCc2ccc(OC)cc2OC)[C@@H](O)c2ccc(OC)c(OC)c2)c(OC)c1	ZINC000033356605	553942879	/nfs/dbraw/zinc/94/28/79/553942879.db2.gz	RGBCVIOZKWATGJ-IEWVHIKDSA-N	0	0	610.704	3.496	50	0	biogenic	KGAARN
COc1ccc(CCNC(=O)C[C@@H](C(=O)NCCc2ccc(OC)cc2OC)[C@@H](O)c2ccc(OC)c(OC)c2)c(OC)c1	ZINC000033356606	553942841	/nfs/dbraw/zinc/94/28/41/553942841.db2.gz	RGBCVIOZKWATGJ-DICHSLLOSA-N	0	0	610.704	3.496	50	0	biogenic	KGAARN
O=C(CSc1nnc(CNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)n1-c1ccc(F)cc1)Nc1nccs1	ZINC000033356607	553942794	/nfs/dbraw/zinc/94/27/94/553942794.db2.gz	NUAZSBUNDZQUAR-UHFFFAOYSA-N	0	0	601.711	3.308	50	0		KGAARN
COc1ccc(CCNC(=O)C[C@H](C(=O)NCCc2ccc(OC)cc2OC)[C@H](O)c2ccc(OC)c(OC)c2)c(OC)c1	ZINC000033356608	553942873	/nfs/dbraw/zinc/94/28/73/553942873.db2.gz	RGBCVIOZKWATGJ-XYFQYJLHSA-N	0	0	610.704	3.496	50	0	biogenic	KGAARN
COc1ccc(CCNC(=O)C[C@@H](C(=O)NCCc2ccc(OC)cc2OC)[C@H](O)c2ccc(OC)c(OC)c2)c(OC)c1	ZINC000033356609	553942827	/nfs/dbraw/zinc/94/28/27/553942827.db2.gz	RGBCVIOZKWATGJ-HVIPQOSHSA-N	0	0	610.704	3.496	50	0	biogenic	KGAARN
NC(=O)C1(N2CCCCC2)CCN(c2nc3c(S(=O)(=O)c4ccccc4)nnn3c3ccc(Cl)cc32)CC1	ZINC000033356660	553943342	/nfs/dbraw/zinc/94/33/42/553943342.db2.gz	UJAGUWUUTWQNPB-UHFFFAOYSA-N	0	0	554.076	3.074	50	0		KGAARN
O=C(c1ccco1)N1CCN(c2nc3c(S(=O)(=O)c4ccccc4)nnn3c3ccc(Cl)cc32)CC1	ZINC000033356661	553943388	/nfs/dbraw/zinc/94/33/88/553943388.db2.gz	DJZBPKAFBZURFW-UHFFFAOYSA-N	0	0	522.974	3.319	50	0		KGAARN
COc1ccc([C@@H]2CC(c3cccs3)=NN2C(=O)CSc2nnc(CNC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)n2C)cc1	ZINC000033356662	553943414	/nfs/dbraw/zinc/94/34/14/553943414.db2.gz	GBXRIONXERFQKT-SANMLTNESA-N	0	0	695.849	3.306	50	0		KGAARN
COc1ccc([C@H]2CC(c3cccs3)=NN2C(=O)CSc2nnc(CNC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)n2C)cc1	ZINC000033356664	553943376	/nfs/dbraw/zinc/94/33/76/553943376.db2.gz	GBXRIONXERFQKT-AREMUKBSSA-N	0	0	695.849	3.306	50	0		KGAARN
O=S(=O)(c1nnn2c1nc(N1CCC3(CC1)OCCO3)c1ccccc12)c1ccc(Br)cc1	ZINC000033356667	553943352	/nfs/dbraw/zinc/94/33/52/553943352.db2.gz	UOBHUOKRXRLIEW-UHFFFAOYSA-N	0	0	530.404	3.216	50	0		KGAARN
CC(=O)N1CCc2c(sc3c2c(=O)n(-c2ccc(F)cc2)c(=O)n3CC(=O)N2CCCc3ccccc32)C1	ZINC000033356674	553943451	/nfs/dbraw/zinc/94/34/51/553943451.db2.gz	YSERLESFUQSBBB-UHFFFAOYSA-N	0	0	532.597	3.237	50	0		KGAARN
CC(=O)c1cccc(-n2c(=O)c3c4c(sc3n(CC(=O)NCCC3=CCCCC3)c2=O)CN(C(C)=O)CC4)c1	ZINC000033356675	553943348	/nfs/dbraw/zinc/94/33/48/553943348.db2.gz	SWNPBMJBEQHUES-UHFFFAOYSA-N	0	0	548.665	3.328	50	0		KGAARN
COc1ccc(-n2nc(C(=O)NCC(=O)N3CCN([C@@H]4CCCC[C@@H]4F)CC3)c3ccccc3c2=O)cc1Cl	ZINC000033356731	553943869	/nfs/dbraw/zinc/94/38/69/553943869.db2.gz	VADJBCBPQMIIBO-XZOQPEGZSA-N	0	0	556.038	3.202	50	0		KGAARN
COc1ccc(-n2nc(C(=O)NCC(=O)N3CCN([C@H]4CCCC[C@@H]4F)CC3)c3ccccc3c2=O)cc1Cl	ZINC000033356733	553943934	/nfs/dbraw/zinc/94/39/34/553943934.db2.gz	VADJBCBPQMIIBO-GOTSBHOMSA-N	0	0	556.038	3.202	50	0		KGAARN
COc1ccc(-n2nc(C(=O)NCC(=O)N3CCN([C@@H]4CCCC[C@H]4F)CC3)c3ccccc3c2=O)cc1Cl	ZINC000033356735	553943877	/nfs/dbraw/zinc/94/38/77/553943877.db2.gz	VADJBCBPQMIIBO-DHIUTWEWSA-N	0	0	556.038	3.202	50	0		KGAARN
COc1ccc(-n2nc(C(=O)NCC(=O)N3CCN([C@H]4CCCC[C@H]4F)CC3)c3ccccc3c2=O)cc1Cl	ZINC000033356737	553943900	/nfs/dbraw/zinc/94/39/00/553943900.db2.gz	VADJBCBPQMIIBO-PKTZIBPZSA-N	0	0	556.038	3.202	50	0		KGAARN
COc1ccc2nc(NC(=O)Cn3cnc4ccc(S(=O)(=O)N5CCC(C)CC5)cc4c3=O)sc2c1	ZINC000033356793	553944536	/nfs/dbraw/zinc/94/45/36/553944536.db2.gz	IJZHWYRXDVQXLP-UHFFFAOYSA-N	0	0	527.628	3.074	50	0		KGAARN
Cc1nn(C)cc1[C@H](C(=O)NC1CCCCC1)N(C(=O)CN1C(=O)c2ccccc2S1(=O)=O)c1ccccc1	ZINC000033356872	553945138	/nfs/dbraw/zinc/94/51/38/553945138.db2.gz	MDEMMYCIEKPEPM-AREMUKBSSA-N	0	0	549.653	3.096	50	0		KGAARN
Cc1nn(C)cc1[C@@H](C(=O)NC1CCCCC1)N(C(=O)CN1C(=O)c2ccccc2S1(=O)=O)c1ccccc1	ZINC000033356874	553945086	/nfs/dbraw/zinc/94/50/86/553945086.db2.gz	MDEMMYCIEKPEPM-SANMLTNESA-N	0	0	549.653	3.096	50	0		KGAARN
COc1ccc(N(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)[C@@H](C(=O)NC[C@@H]2CCCO2)c2ccc(F)cc2)cc1	ZINC000033356921	553945730	/nfs/dbraw/zinc/94/57/30/553945730.db2.gz	KSJKHNJEQMBFBV-WNCULLNHSA-N	0	0	581.622	3.049	50	0		KGAARN
COc1ccc(N(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)[C@H](C(=O)NC[C@@H]2CCCO2)c2ccc(F)cc2)cc1	ZINC000033356924	553945683	/nfs/dbraw/zinc/94/56/83/553945683.db2.gz	KSJKHNJEQMBFBV-HOFKKMOUSA-N	0	0	581.622	3.049	50	0		KGAARN
COc1ccc(N(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)[C@@H](C(=O)NC[C@H]2CCCO2)c2ccc(F)cc2)cc1	ZINC000033356928	553945710	/nfs/dbraw/zinc/94/57/10/553945710.db2.gz	KSJKHNJEQMBFBV-YIXXDRMTSA-N	0	0	581.622	3.049	50	0		KGAARN
COc1ccc(N(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)[C@H](C(=O)NC[C@H]2CCCO2)c2ccc(F)cc2)cc1	ZINC000033356931	553945702	/nfs/dbraw/zinc/94/57/02/553945702.db2.gz	KSJKHNJEQMBFBV-KCWPFWIISA-N	0	0	581.622	3.049	50	0		KGAARN
CC1CCN(S(=O)(=O)c2ccc3c(c2)N(CC(=O)Nc2ccc(I)cc2)C(=O)CO3)CC1	ZINC000033357068	553946511	/nfs/dbraw/zinc/94/65/11/553946511.db2.gz	RYBFRECFGRSDHV-UHFFFAOYSA-N	0	0	569.421	3.076	50	0		KGAARN
O=C(c1ccc(N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c(NS(=O)(=O)c2ccc3c(c2)OCCO3)c1)N1CCN(c2ccccn2)CC1	ZINC000033357124	553946855	/nfs/dbraw/zinc/94/68/55/553946855.db2.gz	GCWIOKQIEUXJHJ-RSXGOPAZSA-N	0	0	668.776	3.401	50	0		KGAARN
O=C(c1ccc(N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c(NS(=O)(=O)c2ccc(F)cc2)c1)N1CCC2(CC1)OCCO2	ZINC000033357129	553946801	/nfs/dbraw/zinc/94/68/01/553946801.db2.gz	SSMZFOYOJSSIHB-GGAORHGYSA-N	0	0	608.692	3.391	50	0		KGAARN
COc1ccccc1N1CCN(S(=O)(=O)c2c(C)sc3ncn(CC(=O)NCCC4=CCCCC4)c(=O)c32)CC1	ZINC000033357182	553947071	/nfs/dbraw/zinc/94/70/71/553947071.db2.gz	DBRDFRFOYKHNNT-UHFFFAOYSA-N	0	0	585.752	3.293	50	0		KGAARN
COc1ccccc1N1CCN(S(=O)(=O)c2c(C)sc3ncn(CC(=O)Nc4cnc5ccccc5c4)c(=O)c32)CC1	ZINC000033357186	553947054	/nfs/dbraw/zinc/94/70/54/553947054.db2.gz	TVTOTKWEFSBKBV-UHFFFAOYSA-N	0	0	604.714	3.473	50	0		KGAARN
CCOC(=O)N1CCN(C(=O)c2cccc(NC(=O)C(=O)c3cc(Br)ccc3NC(C)=O)c2)CC1	ZINC000033357190	553947141	/nfs/dbraw/zinc/94/71/41/553947141.db2.gz	UPGUIYACZXKMRT-UHFFFAOYSA-N	0	0	545.390	3.143	50	0		KGAARN
COc1ccc([C@@H]2[C@@H](C(=O)N3CCN(c4ccccn4)CC3)c3cc(OC)c(OC)cc3C(=O)N2C)cc1OC	ZINC000033357353	553947738	/nfs/dbraw/zinc/94/77/38/553947738.db2.gz	FVWLWIUSOIHBPO-WUFINQPMSA-N	0	0	546.624	3.375	50	0		KGAARN
COc1ccc([C@H]2[C@@H](C(=O)N3CCN(c4ccccn4)CC3)c3cc(OC)c(OC)cc3C(=O)N2C)cc1OC	ZINC000033357355	553947830	/nfs/dbraw/zinc/94/78/30/553947830.db2.gz	FVWLWIUSOIHBPO-NSOVKSMOSA-N	0	0	546.624	3.375	50	0		KGAARN
COc1ccc([C@@H]2[C@H](C(=O)N3CCN(c4ccccn4)CC3)c3cc(OC)c(OC)cc3C(=O)N2C)cc1OC	ZINC000033357358	553947781	/nfs/dbraw/zinc/94/77/81/553947781.db2.gz	FVWLWIUSOIHBPO-VSGBNLITSA-N	0	0	546.624	3.375	50	0		KGAARN
COc1ccc([C@H]2[C@H](C(=O)N3CCN(c4ccccn4)CC3)c3cc(OC)c(OC)cc3C(=O)N2C)cc1OC	ZINC000033357361	553947824	/nfs/dbraw/zinc/94/78/24/553947824.db2.gz	FVWLWIUSOIHBPO-IZLXSDGUSA-N	0	0	546.624	3.375	50	0		KGAARN
CCOC(=O)c1ccc(N2C(=O)[C@@H](CC(=O)Nc3ccc(Br)cc3)N(CCNC(C)=O)C2=S)cc1	ZINC000033357388	553948083	/nfs/dbraw/zinc/94/80/83/553948083.db2.gz	NSZICWGFGXHNII-HXUWFJFHSA-N	0	0	561.458	3.093	50	0		KGAARN
CCOC(=O)c1ccc(N2C(=O)[C@H](CC(=O)Nc3ccc(Br)cc3)N(CCNC(C)=O)C2=S)cc1	ZINC000033357390	553948103	/nfs/dbraw/zinc/94/81/03/553948103.db2.gz	NSZICWGFGXHNII-FQEVSTJZSA-N	0	0	561.458	3.093	50	0		KGAARN
CCOc1ccc(N2C(=O)[C@@H](CC(=O)Nc3ccc(Br)cc3)N(CCNC(C)=O)C2=S)cc1	ZINC000033357392	553947982	/nfs/dbraw/zinc/94/79/82/553947982.db2.gz	YXRNXMROUPXKPB-HXUWFJFHSA-N	0	0	533.448	3.315	50	0		KGAARN
CCOc1ccc(N2C(=O)[C@H](CC(=O)Nc3ccc(Br)cc3)N(CCNC(C)=O)C2=S)cc1	ZINC000033357394	553948044	/nfs/dbraw/zinc/94/80/44/553948044.db2.gz	YXRNXMROUPXKPB-FQEVSTJZSA-N	0	0	533.448	3.315	50	0		KGAARN
COc1ccc(CN2CCN(C(=O)[C@@H](Cc3ccccc3)NS(=O)(=O)c3cccs3)CC2)c(OC)c1OC	ZINC000033357427	553948013	/nfs/dbraw/zinc/94/80/13/553948013.db2.gz	RVFZPKUUOVCYKU-JOCHJYFZSA-N	0	0	559.710	3.008	50	0		KGAARN
COc1ccc(CN2CCN(C(=O)[C@H](Cc3ccccc3)NS(=O)(=O)c3cccs3)CC2)c(OC)c1OC	ZINC000033357429	553948022	/nfs/dbraw/zinc/94/80/22/553948022.db2.gz	RVFZPKUUOVCYKU-QFIPXVFZSA-N	0	0	559.710	3.008	50	0		KGAARN
COc1ccc(NC(=O)CCCn2c(=O)c3sccc3n(Cc3cc(=O)n4cc(Cl)ccc4n3)c2=O)cc1	ZINC000033357494	553948666	/nfs/dbraw/zinc/94/86/66/553948666.db2.gz	PKILIBGIHIWEGF-UHFFFAOYSA-N	0	0	552.012	3.362	50	0		KGAARN
COc1cc(OC)c(NC(=O)c2sc3ncn(CC(=O)N4CCN(c5ccccn5)CC4)c(=O)c3c2C)cc1Cl	ZINC000033357544	553948889	/nfs/dbraw/zinc/94/88/89/553948889.db2.gz	AGQVXICNAFRYTC-UHFFFAOYSA-N	0	0	583.070	3.433	50	0		KGAARN
CCc1ccc(S(=O)(=O)c2nnn3c4ccsc4c(N4CCN(C(=O)c5ccco5)CC4)nc23)cc1	ZINC000033357547	553948982	/nfs/dbraw/zinc/94/89/82/553948982.db2.gz	PGLRZZPNRRBDDT-UHFFFAOYSA-N	0	0	522.612	3.290	50	0		KGAARN
O=C(CCn1c(=O)c2sccc2n(CC(=O)Nc2ccc(Br)cc2F)c1=O)NCc1ccccc1	ZINC000033357746	553950694	/nfs/dbraw/zinc/95/06/94/553950694.db2.gz	MYYNVFQLIMNSIA-UHFFFAOYSA-N	0	0	559.417	3.472	50	0		KGAARN
O=C(CCn1c(=O)c2sccc2n(CC(=O)c2ccc(Br)cc2)c1=O)NCc1ccc2c(c1)OCO2	ZINC000033357747	553950663	/nfs/dbraw/zinc/95/06/63/553950663.db2.gz	STWMJIYFXUDOSA-UHFFFAOYSA-N	0	0	570.421	3.305	50	0		KGAARN
Cc1cccc2nc(Cn3c4ccsc4c(=O)n(CCCCCC(=O)NCc4ccc5c(c4)OCO5)c3=O)cc(=O)n12	ZINC000033357753	553950717	/nfs/dbraw/zinc/95/07/17/553950717.db2.gz	CFYKNGKANYZCBE-UHFFFAOYSA-N	0	0	587.658	3.195	50	0		KGAARN
CCOC(=O)c1cc(CSc2nc3cc(C(=O)OC)ccc3c(=O)n2CCc2ccc(S(N)(=O)=O)cc2)c2c(c1)COCO2	ZINC000033357806	553951069	/nfs/dbraw/zinc/95/10/69/553951069.db2.gz	LNQBXQQCZSDCMI-UHFFFAOYSA-N	0	0	639.708	3.409	50	0		KGAARN
COc1ccccc1N1CCN(C(=O)CSc2nc3ccccc3c(=O)n2NC(=O)c2ccccc2)CC1	ZINC000033357813	553951072	/nfs/dbraw/zinc/95/10/72/553951072.db2.gz	GQGRRWILSLTBPQ-UHFFFAOYSA-N	0	0	529.622	3.230	50	0		KGAARN
O=C(CSc1nc2ccccc2c(=O)n1CCn1c(=O)c2ccccc2nc1SCC(=O)N1CCCC1)N1CCCC1	ZINC000033357816	553951079	/nfs/dbraw/zinc/95/10/79/553951079.db2.gz	QKSPBBJXJZALQE-UHFFFAOYSA-N	0	0	604.758	3.236	50	0		KGAARN
COc1ccc(CCNC(=O)CCCn2c(=O)c3ccccc3nc2SCC(=O)Nc2cc(C)[nH]n2)cc1OC	ZINC000033357820	553951178	/nfs/dbraw/zinc/95/11/78/553951178.db2.gz	DGFCFBNMUMHPNR-UHFFFAOYSA-N	0	0	564.668	3.315	50	0		KGAARN
O=C(CCCn1c(=O)c2ccccc2nc1SCC(=O)Nc1ccccc1Cl)NCCCN1CCOCC1	ZINC000033357835	553951075	/nfs/dbraw/zinc/95/10/75/553951075.db2.gz	YFVJTGPJPKAXJL-UHFFFAOYSA-N	0	0	558.104	3.399	50	0		KGAARN
O=C(CSc1nc2cc(C(=O)NCCCN3CCOCC3)ccc2c(=O)n1C[C@@H]1CCCO1)c1ccc(F)cc1	ZINC000033357862	553951413	/nfs/dbraw/zinc/95/14/13/553951413.db2.gz	HXPAMPHMYVLTQM-QHCPKHFHSA-N	0	0	568.671	3.142	50	0		KGAARN
O=C(CSc1nc2cc(C(=O)NCCCN3CCOCC3)ccc2c(=O)n1C[C@H]1CCCO1)c1ccc(F)cc1	ZINC000033357863	553951448	/nfs/dbraw/zinc/95/14/48/553951448.db2.gz	HXPAMPHMYVLTQM-HSZRJFAPSA-N	0	0	568.671	3.142	50	0		KGAARN
NS(=O)(=O)c1ccc(CCNC(=O)CSc2nc3ccccc3c(=O)n2CC2CCC(C(=O)NCc3ccco3)CC2)cc1	ZINC000033357869	553951394	/nfs/dbraw/zinc/95/13/94/553951394.db2.gz	KAFBOYVVERDHGR-UHFFFAOYSA-N	0	0	637.784	3.211	50	0		KGAARN
CC[C@@H](Sc1nc2cc3c(cc2c(=O)n1CCC(=O)NCc1ccc2c(c1)OCO2)OCO3)C(=O)NCc1cccnc1	ZINC000033357876	553951617	/nfs/dbraw/zinc/95/16/17/553951617.db2.gz	NHSMKIFEQUIMMZ-AREMUKBSSA-N	0	0	603.657	3.143	50	0		KGAARN
CC[C@H](Sc1nc2cc3c(cc2c(=O)n1CCC(=O)NCc1ccc2c(c1)OCO2)OCO3)C(=O)NCc1cccnc1	ZINC000033357877	553951613	/nfs/dbraw/zinc/95/16/13/553951613.db2.gz	NHSMKIFEQUIMMZ-SANMLTNESA-N	0	0	603.657	3.143	50	0		KGAARN
CC[C@@H](Sc1nc2cc3c(cc2c(=O)n1CCC(=O)N1CCN(c2ccccc2)CC1)OCO3)C(=O)NCc1cccnc1	ZINC000033357883	553951610	/nfs/dbraw/zinc/95/16/10/553951610.db2.gz	GBXGQWFXELDYJA-MUUNZHRXSA-N	0	0	614.728	3.446	50	0		KGAARN
CC[C@H](Sc1nc2cc3c(cc2c(=O)n1CCC(=O)N1CCN(c2ccccc2)CC1)OCO3)C(=O)NCc1cccnc1	ZINC000033357884	553951635	/nfs/dbraw/zinc/95/16/35/553951635.db2.gz	GBXGQWFXELDYJA-NDEPHWFRSA-N	0	0	614.728	3.446	50	0		KGAARN
COc1cc2nc(SCc3cc(=O)n4cc(Br)ccc4n3)n(CCc3ccc(S(N)(=O)=O)cc3)c(=O)c2cc1OC	ZINC000033357898	553951651	/nfs/dbraw/zinc/95/16/51/553951651.db2.gz	CRLORQDGKRWFOK-UHFFFAOYSA-N	0	0	658.556	3.367	50	0		KGAARN
NS(=O)(=O)c1ccc(CCNC(=O)CCCn2c(=O)c3sccc3nc2SCc2cc(=O)n3cc(Cl)ccc3n2)cc1	ZINC000033357960	553952199	/nfs/dbraw/zinc/95/21/99/553952199.db2.gz	AVKYBGRZGBCNIP-UHFFFAOYSA-N	0	0	645.188	3.198	50	0		KGAARN
NS(=O)(=O)c1ccc(CCNC(=O)CCCn2c(=O)c3sccc3nc2SCC(=O)c2ccc(F)cc2)cc1	ZINC000033357962	553952252	/nfs/dbraw/zinc/95/22/52/553952252.db2.gz	WZDXQPDRHARJNI-UHFFFAOYSA-N	0	0	588.708	3.359	50	0		KGAARN
COC(=O)c1ccc(OC[C@H]2c3cc(OC)c(OC)cc3CCN2C(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1	ZINC000033358008	553952814	/nfs/dbraw/zinc/95/28/14/553952814.db2.gz	PABUYLCZBXKLDQ-MHZLTWQESA-N	0	0	610.685	3.330	50	0		KGAARN
COC(=O)c1ccc(OC[C@@H]2c3cc(OC)c(OC)cc3CCN2C(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1	ZINC000033358009	553952833	/nfs/dbraw/zinc/95/28/33/553952833.db2.gz	PABUYLCZBXKLDQ-HHHXNRCGSA-N	0	0	610.685	3.330	50	0		KGAARN
CCOC(=O)C(NC(=O)c1ccc(N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c(NC(=O)c2ccc(Br)o2)c1)C(=O)OCC	ZINC000033358131	553953074	/nfs/dbraw/zinc/95/30/74/553953074.db2.gz	VRVFJQBJBWYMKI-MJGOQNOKSA-N	0	0	655.502	3.304	50	0		KGAARN
CCOC(=O)N1CCC(NC(=O)c2ccc(N3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)c(NC(=O)c3cccnc3)c2)CC1	ZINC000033358151	553953416	/nfs/dbraw/zinc/95/34/16/553953416.db2.gz	NICSOYPXNMXZQL-QPPBQGQZSA-N	0	0	584.677	3.470	50	0		KGAARN
CCOC(=O)N1CCC(NC(=O)c2ccc(N3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)c(NC(=O)c3ccncc3)c2)CC1	ZINC000033358152	553953385	/nfs/dbraw/zinc/95/33/85/553953385.db2.gz	LOUODHSLSLHRFQ-QPPBQGQZSA-N	0	0	584.677	3.470	50	0		KGAARN
CCOC(=O)C1=c2s/c(=C\c3ccc(Br)cc3)c(=O)n2C(N)=C(C(=O)OCC)[C@H]1c1ccc(Br)cc1	ZINC000033358274	553954287	/nfs/dbraw/zinc/95/42/87/553954287.db2.gz	NFYDNBABJOZHST-CWDSQJGSSA-N	0	0	634.346	3.465	50	0		KGAARN
CCOC(=O)C1=c2s/c(=C\c3ccc(Br)cc3)c(=O)n2C(N)=C(C(=O)OCC)[C@@H]1c1ccc(Br)cc1	ZINC000033358275	553954241	/nfs/dbraw/zinc/95/42/41/553954241.db2.gz	NFYDNBABJOZHST-LJLZWOEMSA-N	0	0	634.346	3.465	50	0		KGAARN
COCCN(CCOC)C(=O)CSC1=N/C(=C/c2ccc3c(c2)OCO3)C(=O)N1c1ccc(C)cc1	ZINC000033366236	553957534	/nfs/dbraw/zinc/95/75/34/553957534.db2.gz	WUXGJGWNPVGFRS-KGENOOAVSA-N	0	0	511.600	3.322	50	0		KGAARN
COc1cc(/C=C\C(=O)OCC(=O)NC2CCCC2)cc(S(=O)(=O)N2CCc3ccccc32)c1OC	ZINC000033386663	1059552652	/nfs/dbraw/zinc/55/26/52/1059552652.db2.gz	OUTHUCSYHFOTMJ-QXMHVHEDSA-N	0	0	514.600	3.070	50	0		KGAARN
COC(=O)C1=C(C)N=c2s/c(=C/c3c(F)cccc3Cl)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1	ZINC000033393922	553958464	/nfs/dbraw/zinc/95/84/64/553958464.db2.gz	OTBAFOGMTSLWRX-ZNQKWNQWSA-N	0	0	502.951	3.218	50	0		KGAARN
COC(=O)C1=C(C)N=c2s/c(=C/c3c(F)cccc3Cl)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1	ZINC000033393924	553958449	/nfs/dbraw/zinc/95/84/49/553958449.db2.gz	OTBAFOGMTSLWRX-MRCZTLKWSA-N	0	0	502.951	3.218	50	0		KGAARN
CCCn1nc(C(=O)NCCN2C(=O)S/C(=C/c3ccc(OC)c(OC)c3)C2=O)c2ccccc2c1=O	ZINC000033416019	553959184	/nfs/dbraw/zinc/95/91/84/553959184.db2.gz	RHYSAHCAVHDLDH-RCCKNPSSSA-N	0	0	522.583	3.290	50	0		KGAARN
COc1ccc(-n2nc(C(=O)N3CCCCC3)/c(=N/C(=O)c3cc(OC)c(OC)c(OC)c3)s2)cc1	ZINC000033434150	553959869	/nfs/dbraw/zinc/95/98/69/553959869.db2.gz	DTDCIIAGPCMCFT-LCUIJRPUSA-N	0	0	512.588	3.335	50	0		KGAARN
COc1ccc(-n2nc(C(=O)N3CCOCC3)/c(=N/C(=O)c3c(C)onc3-c3ccccc3)s2)cc1	ZINC000033435725	553960232	/nfs/dbraw/zinc/96/02/32/553960232.db2.gz	JKDGVXBBVMPIBL-LCUIJRPUSA-N	0	0	505.556	3.119	50	0		KGAARN
O=C(Nc1snnc1C(=O)N1CCC(Cc2ccccc2)CC1)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2	ZINC000033435752	553960281	/nfs/dbraw/zinc/96/02/81/553960281.db2.gz	KDRNBEGCEABSEX-RTWAWAEBSA-N	0	0	518.643	3.446	50	0		KGAARN
Cc1ccc(S(=O)(=O)Nc2ccc(-n3nnc(C(=O)NCCc4c[nH]c5ccccc45)c3N)cc2)cc1	ZINC000033436009	553960264	/nfs/dbraw/zinc/96/02/64/553960264.db2.gz	BLSVMWCYGHZOQX-UHFFFAOYSA-N	0	0	515.599	3.413	50	0		KGAARN
Cc1ccc2[nH]cc(CCNC(=O)c3nnsc3NC(=O)N3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)c2c1	ZINC000033436083	553960113	/nfs/dbraw/zinc/96/01/13/553960113.db2.gz	BAQYVJLVVZOLJV-AEFFLSMTSA-N	0	0	517.615	3.113	50	0		KGAARN
O=C(Nc1snnc1C(=O)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2)N1CCC(Cc2ccccc2)CC1	ZINC000033436091	553960197	/nfs/dbraw/zinc/96/01/97/553960197.db2.gz	BIPZLVIBQJKUFJ-RTWAWAEBSA-N	0	0	518.643	3.446	50	0		KGAARN
COc1ccc(CCN(Cc2ccc(C)o2)C(=O)CN(CCN2CCOCC2)C(=O)C2CCC2)cc1OC	ZINC000033475465	553960986	/nfs/dbraw/zinc/96/09/86/553960986.db2.gz	LIVHUKWKNRBJLS-UHFFFAOYSA-N	0	0	527.662	3.137	50	0		KGAARN
COc1ccc(Cl)cc1NC(=O)COC(=O)/C=C\c1c(C)nn([C@@H]2CCS(=O)(=O)C2)c1Cl	ZINC000033480145	1059552727	/nfs/dbraw/zinc/55/27/27/1059552727.db2.gz	GRTYMEJIYFUBBE-KXQLTZBTSA-N	0	0	502.376	3.062	50	0		KGAARN
COc1ccc(Cl)cc1NC(=O)COC(=O)/C=C\c1c(C)nn([C@H]2CCS(=O)(=O)C2)c1Cl	ZINC000033480148	1059552481	/nfs/dbraw/zinc/55/24/81/1059552481.db2.gz	GRTYMEJIYFUBBE-SDQPKGBYSA-N	0	0	502.376	3.062	50	0		KGAARN
COc1ccc(/C=C2/SC(=O)N(CCNC(=O)[C@H](C)NC(=O)c3ccccc3Cl)C2=O)cc1OC	ZINC000033481529	553960960	/nfs/dbraw/zinc/96/09/60/553960960.db2.gz	GOWSOKQVMRQFPH-ZXOFLVKFSA-N	0	0	517.991	3.328	50	0		KGAARN
O=C(/C=C\c1ccc(S(=O)(=O)N2CCOCC2)cc1)Nc1ccccc1C(=O)NCCc1ccccc1	ZINC000033489925	1059552629	/nfs/dbraw/zinc/55/26/29/1059552629.db2.gz	UOMFGRYVYQZBEO-QINSGFPZSA-N	0	0	519.623	3.332	50	0		KGAARN
COC(=O)c1ccc(/C=C\C(=O)OCC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)cc1	ZINC000033496959	1059552598	/nfs/dbraw/zinc/55/25/98/1059552598.db2.gz	LVTFSNGCBMBKSS-GHXNOFRVSA-N	0	0	520.991	3.496	50	0		KGAARN
COc1ccc(C=CC(=O)N(Cc2ccccc2)c2c(N)n(Cc3ccccc3)c(=O)[nH]c2=O)c(OC)c1	ZINC000033497051	553961207	/nfs/dbraw/zinc/96/12/07/553961207.db2.gz	ZRSPHRVYZMCLDV-PEZBUJJGSA-N	0	0	512.566	3.431	50	0		KGAARN
O=C(NCCN1C(=O)S/C(=C/c2cccs2)C1=O)c1cccc(S(=O)(=O)N2CCCCC2)c1	ZINC000033524757	553961732	/nfs/dbraw/zinc/96/17/32/553961732.db2.gz	UNVRPHSBLWXSJJ-XDJHFCHBSA-N	0	0	505.643	3.389	50	0		KGAARN
COc1cc(/C=C\C(=O)OCC(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2Cl)cc(Cl)c1OC	ZINC000033535099	1059135648	/nfs/dbraw/zinc/13/56/48/1059135648.db2.gz	FOARWVVJIIOQMB-YVMONPNESA-N	0	0	517.387	3.456	50	0		KGAARN
COc1ccc(NC(=O)COC(=O)/C=C\C(=O)OCC(=O)Nc2ccc(OC)c(Cl)c2)cc1Cl	ZINC000033557377	1059552450	/nfs/dbraw/zinc/55/24/50/1059552450.db2.gz	QYIBZXMTOIPDDS-FPLPWBNLSA-N	0	0	511.314	3.230	50	0		KGAARN
Cc1ccc(S(=O)(=O)N2CCN(C(=O)COc3ncnc4c(Cl)cc(Cl)cc34)CC2)c(C)c1	ZINC000033622539	553964735	/nfs/dbraw/zinc/96/47/35/553964735.db2.gz	JLISRBLIXLJFNQ-UHFFFAOYSA-N	0	0	509.415	3.465	50	0		KGAARN
O=C(NCCN1C(=O)S/C(=C/c2ccccc2)C1=O)c1ccc2c(c1)C(=O)N(Cc1ccncc1)C2=O	ZINC000033636586	553965518	/nfs/dbraw/zinc/96/55/18/553965518.db2.gz	SGPCXTSFUDDCQT-HYARGMPZSA-N	0	0	512.547	3.344	50	0		KGAARN
CCOc1ccc(N2C(=O)c3ccc(C(=O)OCC(=O)NC(=O)NCc4ccccc4)cc3C2=O)cc1	ZINC000033647365	553965827	/nfs/dbraw/zinc/96/58/27/553965827.db2.gz	YAIAJZYHVNSFGT-UHFFFAOYSA-N	0	0	501.495	3.069	50	0		KGAARN
O=C(CNC(=O)c1ccc(Cl)cc1Cl)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1	ZINC000033653280	553966276	/nfs/dbraw/zinc/96/62/76/553966276.db2.gz	UMKGWSPHNJJYCI-UHFFFAOYSA-N	0	0	506.411	3.410	50	0		KGAARN
Cc1ccc(CN(CCc2ccccc2)C(=O)CN(CCN2CCOCC2)S(=O)(=O)c2ccccc2)o1	ZINC000033659852	553966461	/nfs/dbraw/zinc/96/64/61/553966461.db2.gz	FXHKYRYNDWZVCB-UHFFFAOYSA-N	0	0	525.671	3.182	50	0		KGAARN
COc1ccc(CCNC(=O)Cc2csc(NC(=O)CN(C(=O)c3ccccc3)C3CC3)n2)cc1OC	ZINC000033661437	553966818	/nfs/dbraw/zinc/96/68/18/553966818.db2.gz	PZTWQLSICDDYDE-UHFFFAOYSA-N	0	0	522.627	3.305	50	0		KGAARN
Cc1ccc(NC(=O)COC(=O)c2cccc(S(=O)(=O)N3CCN(c4ccccc4)CC3)c2)cc1F	ZINC000033666521	553967060	/nfs/dbraw/zinc/96/70/60/553967060.db2.gz	DYCMSCOXEDAAJS-UHFFFAOYSA-N	0	0	511.575	3.441	50	0		KGAARN
COc1cc(/C=C\C(=O)N2CCN(C(=O)/C=C\c3cc(OC)c(OC)c(OC)c3)CC2)cc(OC)c1OC	ZINC000033675653	1059553224	/nfs/dbraw/zinc/55/32/24/1059553224.db2.gz	PHBFAEGGBMUDPF-XOHWUJONSA-N	0	0	526.586	3.136	50	0		KGAARN
COc1cc(/C=C/C(=O)N2CCN(C(=O)/C=C\c3cc(OC)c(OC)c(OC)c3)CC2)cc(OC)c1OC	ZINC000033675655	1059553295	/nfs/dbraw/zinc/55/32/95/1059553295.db2.gz	PHBFAEGGBMUDPF-FKJILZIQSA-N	0	0	526.586	3.136	50	0		KGAARN
COc1cc(/C=c2/sc3n(c2=O)[C@@H](c2cccs2)C(C(=O)OC(C)C)=C(C)N=3)cc(OC)c1OC	ZINC000033682650	553967788	/nfs/dbraw/zinc/96/77/88/553967788.db2.gz	AGHUOVWNGCFLGM-SRKIZSPNSA-N	0	0	514.625	3.274	50	0		KGAARN
COc1cc(/C=c2/sc3n(c2=O)[C@H](c2cccs2)C(C(=O)OC(C)C)=C(C)N=3)cc(OC)c1OC	ZINC000033682651	553967843	/nfs/dbraw/zinc/96/78/43/553967843.db2.gz	AGHUOVWNGCFLGM-PRWBYUBPSA-N	0	0	514.625	3.274	50	0		KGAARN
O=C(/C=C\c1ccc(S(=O)(=O)N2CCOCC2)cc1)OCC(=O)Nc1nc(-c2ccccc2)cs1	ZINC000033694107	1059553269	/nfs/dbraw/zinc/55/32/69/1059553269.db2.gz	GQTSFJXZKLKAHA-FLIBITNWSA-N	0	0	513.597	3.026	50	0		KGAARN
O=C(/C=C\c1ccc2c(c1)OCO2)OCC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl	ZINC000033711367	1059553128	/nfs/dbraw/zinc/55/31/28/1059553128.db2.gz	QXEGFTBFXREZGK-UITAMQMPSA-N	0	0	506.964	3.438	50	0		KGAARN
O=C(/C=C\c1ccc(S(=O)(=O)N2CCc3ccccc32)cc1)OCC(=O)NC(=O)NCc1ccccc1	ZINC000033741041	1059553369	/nfs/dbraw/zinc/55/33/69/1059553369.db2.gz	NMYDILXMUJUCKV-QINSGFPZSA-N	0	0	519.579	3.020	50	0		KGAARN
Cc1c(NS(=O)(=O)c2cccc(C(=O)N3CCc4ccccc4C3)c2)c(=O)n(-c2ccccc2)n1C	ZINC000033748586	553971896	/nfs/dbraw/zinc/97/18/96/553971896.db2.gz	KPFWZBGQMWBNTH-UHFFFAOYSA-N	0	0	502.596	3.484	50	0		KGAARN
O=C(CN1CCN(c2ccc(O)cc2)CC1)NCCN1C(=O)S/C(=C/c2ccccc2Cl)C1=O	ZINC000033761544	1059553161	/nfs/dbraw/zinc/55/31/61/1059553161.db2.gz	TYRCPEJAQKXDKS-RCCKNPSSSA-N	0	0	501.008	3.020	50	0		KGAARN
COc1ccc(C2=NN(C(=O)COC(=O)CNS(=O)(=O)/C=C\c3ccccc3)[C@H](c3ccco3)C2)cc1	ZINC000033762396	1059553311	/nfs/dbraw/zinc/55/33/11/1059553311.db2.gz	GUANODDXOWZYSW-RBPYYZBISA-N	0	0	523.567	3.099	50	0		KGAARN
COc1ccc(C2=NN(C(=O)COC(=O)CNS(=O)(=O)/C=C\c3ccccc3)[C@@H](c3ccco3)C2)cc1	ZINC000033762397	1059553246	/nfs/dbraw/zinc/55/32/46/1059553246.db2.gz	GUANODDXOWZYSW-ODFVOIPKSA-N	0	0	523.567	3.099	50	0		KGAARN
COc1cc(/C=C\C(=O)N2CCN(Cc3ccccc3)CC2)cc(S(=O)(=O)NCc2ccco2)c1OC	ZINC000033783721	1059553329	/nfs/dbraw/zinc/55/33/29/1059553329.db2.gz	OGFYOHMUWNCBPT-KHPPLWFESA-N	0	0	525.627	3.133	50	0		KGAARN
O=C(/C=C\c1cn(-c2ccccc2)nc1-c1cc2ccccc2o1)OCC(=O)N[C@@H]1CCS(=O)(=O)C1	ZINC000033785155	1059553726	/nfs/dbraw/zinc/55/37/26/1059553726.db2.gz	HLZHYUJFALBTGV-JPMGXVIASA-N	0	0	505.552	3.145	50	0		KGAARN
O=C(/C=C\c1cn(-c2ccccc2)nc1-c1cc2ccccc2o1)OCC(=O)N[C@H]1CCS(=O)(=O)C1	ZINC000033785156	1059553820	/nfs/dbraw/zinc/55/38/20/1059553820.db2.gz	HLZHYUJFALBTGV-PISNEZEASA-N	0	0	505.552	3.145	50	0		KGAARN
Cc1ccsc1CN(Cc1ccc2c(c1)OCO2)C(=O)CN(CCN1CCOCC1)C(=O)NC(C)(C)C	ZINC000033854403	553975241	/nfs/dbraw/zinc/97/52/41/553975241.db2.gz	CPZZFNCUZMQGMS-UHFFFAOYSA-N	0	0	530.691	3.456	50	0		KGAARN
CN(c1ncccc1CNc1nc(Nc2ccc3c(c2)CC(=O)N3)ncc1C(F)(F)F)S(C)(=O)=O	ZINC000034638188	553981714	/nfs/dbraw/zinc/98/17/14/553981714.db2.gz	MZDKLVOWGIOKTN-UHFFFAOYSA-N	0	0	507.498	3.137	50	0	in-man	KGAARN
Cc1ccc(N2CCN(c3nc4c(c(N5CCOCC5)n3)CN(C(=O)c3ccco3)CC4)CC2)cc1C	ZINC000034676805	553983107	/nfs/dbraw/zinc/98/31/07/553983107.db2.gz	WLFUPESWZLLDMD-UHFFFAOYSA-N	0	0	502.619	3.048	50	0		KGAARN
CCN(C)c1nc(N2CCN(c3ccccc3F)CC2)nc2c1CN(S(=O)(=O)c1ccccc1)CC2	ZINC000034676866	553983274	/nfs/dbraw/zinc/98/32/74/553983274.db2.gz	WKEYNYXYMWROQI-UHFFFAOYSA-N	0	0	510.639	3.145	50	0		KGAARN
CN(C)c1nc(N2CCN(c3ccccc3)CC2)nc2c1CN(S(=O)(=O)c1cccc(Cl)c1)CC2	ZINC000034676880	553983152	/nfs/dbraw/zinc/98/31/52/553983152.db2.gz	PTBZPDRETJYPAM-UHFFFAOYSA-N	0	0	513.067	3.270	50	0		KGAARN
Cc1cccc(C)c1N1CCN(C(=O)c2coc(CN3CCN(C[C@H](O)c4ccccc4)CC3)n2)CC1	ZINC000034677766	553983694	/nfs/dbraw/zinc/98/36/94/553983694.db2.gz	JRXGFXNRYOHLIS-SANMLTNESA-N	0	0	503.647	3.105	50	0		KGAARN
Cc1cccc(C)c1N1CCN(C(=O)c2coc(CN3CCN(C[C@@H](O)c4ccccc4)CC3)n2)CC1	ZINC000034677767	553983681	/nfs/dbraw/zinc/98/36/81/553983681.db2.gz	JRXGFXNRYOHLIS-AREMUKBSSA-N	0	0	503.647	3.105	50	0		KGAARN
CCc1ccccc1N1CCN(C(=O)c2coc(CN3CCN(C[C@H](O)c4ccccc4)CC3)n2)CC1	ZINC000034677784	553983687	/nfs/dbraw/zinc/98/36/87/553983687.db2.gz	SBDMVWDIVMSHIN-MHZLTWQESA-N	0	0	503.647	3.051	50	0		KGAARN
CCc1ccccc1N1CCN(C(=O)c2coc(CN3CCN(C[C@@H](O)c4ccccc4)CC3)n2)CC1	ZINC000034677785	553983552	/nfs/dbraw/zinc/98/35/52/553983552.db2.gz	SBDMVWDIVMSHIN-HHHXNRCGSA-N	0	0	503.647	3.051	50	0		KGAARN
CC(C)CN(CCC(=O)NCc1cccnc1)C(=O)c1cc2n(n1)CCCN(Cc1ccccc1)C2=O	ZINC000034678945	553983949	/nfs/dbraw/zinc/98/39/49/553983949.db2.gz	OKEDNJDVAJBGRJ-UHFFFAOYSA-N	0	0	502.619	3.129	50	0		KGAARN
CC(C)CN(CCC(=O)NCc1ccncc1)C(=O)c1cc2n(n1)CCCN(Cc1ccccc1)C2=O	ZINC000034678983	553984038	/nfs/dbraw/zinc/98/40/38/553984038.db2.gz	KQYJOOWETKOQLZ-UHFFFAOYSA-N	0	0	502.619	3.129	50	0		KGAARN
CC(C)CN(CCC(=O)NCCc1ccccn1)C(=O)c1cc2n(n1)CCCN(Cc1ccccc1)C2=O	ZINC000034678984	553984065	/nfs/dbraw/zinc/98/40/65/553984065.db2.gz	SHXFGNJSQDZPCO-UHFFFAOYSA-N	0	0	516.646	3.171	50	0		KGAARN
COc1ccc(S(=O)(=O)Nc2ccc(N3CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)nc2)cc1	ZINC000034681381	553984877	/nfs/dbraw/zinc/98/48/77/553984877.db2.gz	GZZSCWKYWFSOSZ-UHFFFAOYSA-N	0	0	523.036	3.055	50	0		KGAARN
O=C(COc1ccc(Cl)cc1)Nc1ccc(N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)nc1	ZINC000034681408	553985029	/nfs/dbraw/zinc/98/50/29/553985029.db2.gz	WIIBAVNAISNBGV-UHFFFAOYSA-N	0	0	504.971	3.403	50	0		KGAARN
COc1cc(OC)cc(C(=O)Nc2ccc(N3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)nc2)c1	ZINC000034681413	553985038	/nfs/dbraw/zinc/98/50/38/553985038.db2.gz	UXSNOSCKCUMXNN-UHFFFAOYSA-N	0	0	500.552	3.001	50	0		KGAARN
COc1ccc(C(=O)Nc2ccc(N3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)nc2)cc1OC	ZINC000034681416	553985206	/nfs/dbraw/zinc/98/52/06/553985206.db2.gz	BVHIOVMVEZQXMK-UHFFFAOYSA-N	0	0	500.552	3.001	50	0		KGAARN
COc1ccc(C(=O)N2CCN(C[C@@H]3CN(C(=O)c4ccc(Cl)c(Cl)c4)CCO3)CC2)c(OC)c1	ZINC000034686063	553988076	/nfs/dbraw/zinc/98/80/76/553988076.db2.gz	FXNXUTSWUKNYRC-LJQANCHMSA-N	0	0	522.429	3.310	50	0		KGAARN
COc1ccc(C(=O)N2CCN(C[C@H]3CN(C(=O)c4ccc(Cl)c(Cl)c4)CCO3)CC2)c(OC)c1	ZINC000034686064	553987980	/nfs/dbraw/zinc/98/79/80/553987980.db2.gz	FXNXUTSWUKNYRC-IBGZPJMESA-N	0	0	522.429	3.310	50	0		KGAARN
O=C(c1ccc(F)cc1)N(CCN1CCOCC1)C[C@@H]1CN(C(=O)c2ccc(Cl)c(Cl)c2)CCO1	ZINC000034686173	553988048	/nfs/dbraw/zinc/98/80/48/553988048.db2.gz	IUHYIIOYOFRCGB-OAQYLSRUSA-N	0	0	524.420	3.448	50	0		KGAARN
O=C(c1ccc(F)cc1)N(CCN1CCOCC1)C[C@H]1CN(C(=O)c2ccc(Cl)c(Cl)c2)CCO1	ZINC000034686174	553988017	/nfs/dbraw/zinc/98/80/17/553988017.db2.gz	IUHYIIOYOFRCGB-NRFANRHFSA-N	0	0	524.420	3.448	50	0		KGAARN
O=C(c1ccccc1)N(CCN1CCOCC1)C[C@@H]1CN(C(=O)c2ccc(Cl)c(Cl)c2)CCO1	ZINC000034686189	553988107	/nfs/dbraw/zinc/98/81/07/553988107.db2.gz	IVSPJIWQSPNKNM-OAQYLSRUSA-N	0	0	506.430	3.309	50	0		KGAARN
O=C(c1ccccc1)N(CCN1CCOCC1)C[C@H]1CN(C(=O)c2ccc(Cl)c(Cl)c2)CCO1	ZINC000034686190	553988033	/nfs/dbraw/zinc/98/80/33/553988033.db2.gz	IVSPJIWQSPNKNM-NRFANRHFSA-N	0	0	506.430	3.309	50	0		KGAARN
O=C(Cc1ccccc1)N(CCN1CCOCC1)C[C@@H]1CN(C(=O)c2ccc(Cl)c(Cl)c2)CCO1	ZINC000034686259	553988381	/nfs/dbraw/zinc/98/83/81/553988381.db2.gz	YHZDXOABUVXEGG-JOCHJYFZSA-N	0	0	520.457	3.238	50	0		KGAARN
O=C(Cc1ccccc1)N(CCN1CCOCC1)C[C@H]1CN(C(=O)c2ccc(Cl)c(Cl)c2)CCO1	ZINC000034686260	553988403	/nfs/dbraw/zinc/98/84/03/553988403.db2.gz	YHZDXOABUVXEGG-QFIPXVFZSA-N	0	0	520.457	3.238	50	0		KGAARN
COc1cc(C(=O)N(CC(C)C)C[C@@H]2CN(C[C@H](O)COCc3ccccc3)CCO2)cc(OC)c1OC	ZINC000034691307	553989769	/nfs/dbraw/zinc/98/97/69/553989769.db2.gz	HZYNLBXOBVSCOT-DQEYMECFSA-N	0	0	530.662	3.089	50	0		KGAARN
COc1cc(C(=O)N(CC(C)C)C[C@H]2CN(C[C@H](O)COCc3ccccc3)CCO2)cc(OC)c1OC	ZINC000034691308	553989439	/nfs/dbraw/zinc/98/94/39/553989439.db2.gz	HZYNLBXOBVSCOT-LOSJGSFVSA-N	0	0	530.662	3.089	50	0		KGAARN
COc1cc(C(=O)N(CC(C)C)C[C@@H]2CN(C[C@H](O)Cc3ccccc3)CCO2)cc(OC)c1OC	ZINC000034691315	553989696	/nfs/dbraw/zinc/98/96/96/553989696.db2.gz	ARUFMZNXPURJTO-RPWUZVMVSA-N	0	0	500.636	3.115	50	0		KGAARN
COc1cc(C(=O)N(CC(C)C)C[C@H]2CN(C[C@H](O)Cc3ccccc3)CCO2)cc(OC)c1OC	ZINC000034691316	553989729	/nfs/dbraw/zinc/98/97/29/553989729.db2.gz	ARUFMZNXPURJTO-DNQXCXABSA-N	0	0	500.636	3.115	50	0		KGAARN
COc1cc(C(=O)N(CC(C)C)C[C@@H]2CN(C[C@H](O)COc3ccc(F)cc3)CCO2)cc(OC)c1OC	ZINC000034691329	553989538	/nfs/dbraw/zinc/98/95/38/553989538.db2.gz	OUYDTHNEEXCGSP-UPVQGACJSA-N	0	0	534.625	3.090	50	0		KGAARN
COc1cc(C(=O)N(CC(C)C)C[C@H]2CN(C[C@H](O)COc3ccc(F)cc3)CCO2)cc(OC)c1OC	ZINC000034691330	553989488	/nfs/dbraw/zinc/98/94/88/553989488.db2.gz	OUYDTHNEEXCGSP-LADGPHEKSA-N	0	0	534.625	3.090	50	0		KGAARN
COc1ccc(C(=O)N2CCCN(C[C@@H]3CN(C(=S)Nc4ccc(F)cc4)CCO3)CC2)cc1OC	ZINC000034692041	553990015	/nfs/dbraw/zinc/99/00/15/553990015.db2.gz	AIOWWDIHMGPAFU-JOCHJYFZSA-N	0	0	516.639	3.089	50	0		KGAARN
COc1ccc(C(=O)N2CCCN(C[C@H]3CN(C(=S)Nc4ccc(F)cc4)CCO3)CC2)cc1OC	ZINC000034692042	553989913	/nfs/dbraw/zinc/98/99/13/553989913.db2.gz	AIOWWDIHMGPAFU-QFIPXVFZSA-N	0	0	516.639	3.089	50	0		KGAARN
Cc1ccc(C(=O)N(CCN2CCOCC2)C[C@@H]2CN(C(=S)Nc3ccc(F)cc3)CCO2)cc1	ZINC000034692053	553989873	/nfs/dbraw/zinc/98/98/73/553989873.db2.gz	COJHRUOMWIHCHN-XMMPIXPASA-N	0	0	500.640	3.006	50	0		KGAARN
Cc1ccc(C(=O)N(CCN2CCOCC2)C[C@H]2CN(C(=S)Nc3ccc(F)cc3)CCO2)cc1	ZINC000034692054	553990030	/nfs/dbraw/zinc/99/00/30/553990030.db2.gz	COJHRUOMWIHCHN-DEOSSOPVSA-N	0	0	500.640	3.006	50	0		KGAARN
O=C(NCc1ccccc1)N1CCO[C@H](CN2CCCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)C1	ZINC000034692113	553990122	/nfs/dbraw/zinc/99/01/22/553990122.db2.gz	MIENAOABVIFLPD-HSZRJFAPSA-N	0	0	504.553	3.464	50	0		KGAARN
O=C(NCc1ccccc1)N1CCO[C@@H](CN2CCCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)C1	ZINC000034692114	553990061	/nfs/dbraw/zinc/99/00/61/553990061.db2.gz	MIENAOABVIFLPD-QHCPKHFHSA-N	0	0	504.553	3.464	50	0		KGAARN
COc1ccc(C(=O)N2CCCN(C[C@@H]3CN(C(=O)Nc4cccc(Cl)c4)CCO3)CC2)cc1OC	ZINC000034692161	553989969	/nfs/dbraw/zinc/98/99/69/553989969.db2.gz	SNPSPNBBBPCETN-JOCHJYFZSA-N	0	0	517.026	3.438	50	0		KGAARN
COc1ccc(C(=O)N2CCCN(C[C@H]3CN(C(=O)Nc4cccc(Cl)c4)CCO3)CC2)cc1OC	ZINC000034692162	553990098	/nfs/dbraw/zinc/99/00/98/553990098.db2.gz	SNPSPNBBBPCETN-QFIPXVFZSA-N	0	0	517.026	3.438	50	0		KGAARN
O=C(Nc1cccc(Cl)c1)N1CCO[C@H](CN(CCN2CCOCC2)C(=O)c2ccc(F)cc2)C1	ZINC000034692201	553990379	/nfs/dbraw/zinc/99/03/79/553990379.db2.gz	HGOSCAFTRHSJSI-HSZRJFAPSA-N	0	0	504.990	3.186	50	0		KGAARN
O=C(Nc1cccc(Cl)c1)N1CCO[C@@H](CN(CCN2CCOCC2)C(=O)c2ccc(F)cc2)C1	ZINC000034692202	553990441	/nfs/dbraw/zinc/99/04/41/553990441.db2.gz	HGOSCAFTRHSJSI-QHCPKHFHSA-N	0	0	504.990	3.186	50	0		KGAARN
COc1ccc(C(=O)N(CCN2CCOCC2)C[C@@H]2CN(C(=O)Nc3cccc(Cl)c3)CCO2)cc1	ZINC000034692215	553990363	/nfs/dbraw/zinc/99/03/63/553990363.db2.gz	BZTZFCFOTAAVQH-XMMPIXPASA-N	0	0	517.026	3.056	50	0		KGAARN
COc1ccc(C(=O)N(CCN2CCOCC2)C[C@H]2CN(C(=O)Nc3cccc(Cl)c3)CCO2)cc1	ZINC000034692216	553990404	/nfs/dbraw/zinc/99/04/04/553990404.db2.gz	BZTZFCFOTAAVQH-DEOSSOPVSA-N	0	0	517.026	3.056	50	0		KGAARN
Cc1ccc(C(=O)N(CCN2CCOCC2)C[C@@H]2CN(C(=O)Nc3cccc(Cl)c3)CCO2)cc1	ZINC000034692235	553990467	/nfs/dbraw/zinc/99/04/67/553990467.db2.gz	TVAGRXUXVWVWLC-XMMPIXPASA-N	0	0	501.027	3.356	50	0		KGAARN
Cc1ccc(C(=O)N(CCN2CCOCC2)C[C@H]2CN(C(=O)Nc3cccc(Cl)c3)CCO2)cc1	ZINC000034692236	553990461	/nfs/dbraw/zinc/99/04/61/553990461.db2.gz	TVAGRXUXVWVWLC-DEOSSOPVSA-N	0	0	501.027	3.356	50	0		KGAARN
O=C(Nc1cccc(Cl)c1)N1CCO[C@H](CN(CCN2CCOCC2)C(=O)c2ccccc2F)C1	ZINC000034692245	553990323	/nfs/dbraw/zinc/99/03/23/553990323.db2.gz	UUVVQBKWHHKNPA-OAQYLSRUSA-N	0	0	504.990	3.186	50	0		KGAARN
O=C(Nc1cccc(Cl)c1)N1CCO[C@@H](CN(CCN2CCOCC2)C(=O)c2ccccc2F)C1	ZINC000034692246	553990339	/nfs/dbraw/zinc/99/03/39/553990339.db2.gz	UUVVQBKWHHKNPA-NRFANRHFSA-N	0	0	504.990	3.186	50	0		KGAARN
COc1cccc(C(=O)N(CCN2CCOCC2)C[C@@H]2CN(C(=O)Nc3cccc(Cl)c3)CCO2)c1	ZINC000034692265	553990446	/nfs/dbraw/zinc/99/04/46/553990446.db2.gz	TUWGQCGRAYIOKK-XMMPIXPASA-N	0	0	517.026	3.056	50	0		KGAARN
COc1cccc(C(=O)N(CCN2CCOCC2)C[C@H]2CN(C(=O)Nc3cccc(Cl)c3)CCO2)c1	ZINC000034692266	553990394	/nfs/dbraw/zinc/99/03/94/553990394.db2.gz	TUWGQCGRAYIOKK-DEOSSOPVSA-N	0	0	517.026	3.056	50	0		KGAARN
COC(=O)c1ccc(Cn2cnc3c2c(=O)n(Cc2ccc(OC)cc2)c(=O)n3-c2ccc(F)cc2)cc1	ZINC000034694483	553990904	/nfs/dbraw/zinc/99/09/04/553990904.db2.gz	PXUIAAYXFPYDSI-UHFFFAOYSA-N	0	0	514.513	3.380	50	0		KGAARN
COC(=O)c1coc(Cn2cnc3c2c(=O)n(Cc2ccccc2F)c(=O)n3-c2ccc(C(C)C)cc2)n1	ZINC000034694600	553990945	/nfs/dbraw/zinc/99/09/45/553990945.db2.gz	GFZKUZIUVYFMOS-UHFFFAOYSA-N	0	0	517.517	3.483	50	0		KGAARN
COC(=O)c1coc(Cn2cnc3c2c(=O)n(Cc2ccc(F)cc2)c(=O)n3-c2cccc(Cl)c2)n1	ZINC000034694749	553990893	/nfs/dbraw/zinc/99/08/93/553990893.db2.gz	SYFMCKWTXJNOCK-UHFFFAOYSA-N	0	0	509.881	3.013	50	0		KGAARN
COCc1nnc2c3ccc(Cl)cc3nc(N3CCN(S(=O)(=O)c4cccc(Cl)c4)CC3)n12	ZINC000034707780	553993972	/nfs/dbraw/zinc/99/39/72/553993972.db2.gz	UIXKCRGJZLSAIA-UHFFFAOYSA-N	0	0	507.403	3.242	50	0		KGAARN
O=C(Nc1nccnc1C(=O)NC1CCN(C(=O)c2c(F)cccc2F)CC1)c1ccc(F)cc1F	ZINC000034716898	553995625	/nfs/dbraw/zinc/99/56/25/553995625.db2.gz	PIHVWANNIJAHKA-UHFFFAOYSA-N	0	0	501.440	3.320	50	0		KGAARN
CCOC(=O)[C@@H]1CCCN(S(=O)(=O)[C@@H]2CON(C)[C@@H]2c2ccc(OCc3ccccc3)c(OC)c2)C1	ZINC000034738936	553998535	/nfs/dbraw/zinc/99/85/35/553998535.db2.gz	WPCRTCJNQOWSSS-NQHRYMMQSA-N	0	0	518.632	3.166	50	0		KGAARN
COc1ccc([C@@H]2[C@H](S(=O)(=O)NCc3ccc4c(c3)OCO4)CON2C)cc1OCc1ccccc1	ZINC000034739146	553998547	/nfs/dbraw/zinc/99/85/47/553998547.db2.gz	CHWTVRFZOGDFQO-CLJLJLNGSA-N	0	0	512.584	3.409	50	0		KGAARN
COc1ccc([C@H]2[C@H](S(=O)(=O)NCc3ccc4c(c3)OCO4)CON2C)cc1OCc1ccccc1	ZINC000034739147	553998437	/nfs/dbraw/zinc/99/84/37/553998437.db2.gz	CHWTVRFZOGDFQO-FTJBHMTQSA-N	0	0	512.584	3.409	50	0		KGAARN
CCOC(=O)[C@@H]1CCCN(S(=O)(=O)[C@@H]2CON(C)[C@@H]2c2ccc(OC)c(OCc3ccccc3)c2)C1	ZINC000034739162	553998748	/nfs/dbraw/zinc/99/87/48/553998748.db2.gz	NTKPVIIWKJHFQN-NQHRYMMQSA-N	0	0	518.632	3.166	50	0		KGAARN
COc1ccc(CC(=O)N2CCc3nc(N4CCN(c5ccc(F)cc5)CC4)nc(N(C)C)c3C2)cc1	ZINC000034756328	553999037	/nfs/dbraw/zinc/99/90/37/553999037.db2.gz	OPUVLPSDVGLYGJ-UHFFFAOYSA-N	0	0	504.610	3.144	50	0		KGAARN
COc1cccc(CC(=O)N2CCc3nc(N4CCN(c5ccc(F)cc5)CC4)nc(N(C)C)c3C2)c1	ZINC000034756336	553999223	/nfs/dbraw/zinc/99/92/23/553999223.db2.gz	KKZGLPVDDFBEIP-UHFFFAOYSA-N	0	0	504.610	3.144	50	0		KGAARN
COc1cccc(CC(=O)N2CCc3nc(N4CCN(c5ccc(C)cc5)CC4)nc(N(C)C)c3C2)c1	ZINC000034756365	553999430	/nfs/dbraw/zinc/99/94/30/553999430.db2.gz	XYNSVYOFXLAKEM-UHFFFAOYSA-N	0	0	500.647	3.314	50	0		KGAARN
CCN(C)c1nc(N2CCN(c3ccccc3)CC2)nc2c1CN(C(=O)c1cc(OC)cc(OC)c1)CC2	ZINC000034756435	553999367	/nfs/dbraw/zinc/99/93/67/553999367.db2.gz	PPHJXSDBRBAICV-UHFFFAOYSA-N	0	0	516.646	3.475	50	0		KGAARN
CCN(C)c1nc(N2CCN(c3ccccc3)CC2)nc2c1CN(C(=O)Cc1ccc(OC)cc1)CC2	ZINC000034756437	553999404	/nfs/dbraw/zinc/99/94/04/553999404.db2.gz	ODZCZTFEJPWLGE-UHFFFAOYSA-N	0	0	500.647	3.395	50	0		KGAARN
CCN(C)c1nc(N2CCN(c3ccccc3)CC2)nc2c1CN(C(=O)Cc1cccc(OC)c1)CC2	ZINC000034756439	553999410	/nfs/dbraw/zinc/99/94/10/553999410.db2.gz	ZKXXAAXYFOJMEC-UHFFFAOYSA-N	0	0	500.647	3.395	50	0		KGAARN
Cc1cccc(S(=O)(=O)N2CCc3nc(N4CCN(c5ccccc5F)CC4)nc(N(C)C)c3C2)c1	ZINC000034756689	553999383	/nfs/dbraw/zinc/99/93/83/553999383.db2.gz	TYVODGGLBKYPCA-UHFFFAOYSA-N	0	0	510.639	3.064	50	0		KGAARN
Cc1ccc(N2CCN(c3nc4c(c(N(C)C)n3)CN(S(=O)(=O)c3ccc(F)cc3)CC4)CC2)cc1	ZINC000034756699	553999495	/nfs/dbraw/zinc/99/94/95/553999495.db2.gz	GBPLPYBQOOJPOI-UHFFFAOYSA-N	0	0	510.639	3.064	50	0		KGAARN
CCN(C)c1nc(N2CCN(c3ccccc3)CC2)nc2c1CN(S(=O)(=O)c1cccc(C)c1)CC2	ZINC000034756717	553999417	/nfs/dbraw/zinc/99/94/17/553999417.db2.gz	KNHQHWJKROCIIE-UHFFFAOYSA-N	0	0	506.676	3.315	50	0		KGAARN
CN1CCN(c2nc3c(c(Oc4cccc(F)c4)n2)CN(S(=O)(=O)c2ccc(F)cc2)CC3)CC1	ZINC000034756724	553999477	/nfs/dbraw/zinc/99/94/77/553999477.db2.gz	BSSKGIYZPSWXNQ-UHFFFAOYSA-N	0	0	501.559	3.046	50	0		KGAARN
CN1CCN(c2nc3c(c(Oc4ccc(F)c(F)c4)n2)CN(S(=O)(=O)c2ccccc2)CC3)CC1	ZINC000034756775	553999813	/nfs/dbraw/zinc/99/98/13/553999813.db2.gz	KDNOEENFNYRYMX-UHFFFAOYSA-N	0	0	501.559	3.046	50	0		KGAARN
CN1CCN(c2nc3c(c(Oc4ccc(F)c(F)c4)n2)CN(S(=O)(=O)c2ccc(F)cc2)CC3)CC1	ZINC000034756777	553999772	/nfs/dbraw/zinc/99/97/72/553999772.db2.gz	GJUSSVXOPBTHOA-UHFFFAOYSA-N	0	0	519.549	3.185	50	0		KGAARN
O=S(=O)(c1ccc(F)cc1)N1CCc2nc(N3CCOCC3)nc(Oc3ccc(F)cc3F)c2C1	ZINC000034756831	553999799	/nfs/dbraw/zinc/99/97/99/553999799.db2.gz	NHMGZYJBWXHWED-UHFFFAOYSA-N	0	0	506.506	3.270	50	0		KGAARN
CN1CCN(c2nc3c(c(Oc4ccc(F)cc4F)n2)CN(S(=O)(=O)c2ccccc2)CC3)CC1	ZINC000034756849	553999732	/nfs/dbraw/zinc/99/97/32/553999732.db2.gz	ZUNCSOUHNXIPTR-UHFFFAOYSA-N	0	0	501.559	3.046	50	0		KGAARN
CN1CCN(c2nc3c(c(Oc4ccc(F)cc4F)n2)CN(S(=O)(=O)c2ccc(F)cc2)CC3)CC1	ZINC000034756852	553999791	/nfs/dbraw/zinc/99/97/91/553999791.db2.gz	XEVGTNUHJIVPCA-UHFFFAOYSA-N	0	0	519.549	3.185	50	0		KGAARN
COc1ccccc1Oc1nc(N2CCOCC2)nc2c1CN(S(=O)(=O)c1ccc(F)cc1)CC2	ZINC000034756861	553999768	/nfs/dbraw/zinc/99/97/68/553999768.db2.gz	YYJBFLUDUHRQAB-UHFFFAOYSA-N	0	0	500.552	3.000	50	0		KGAARN
COc1ccc(Oc2nc(N3CCN(C)CC3)nc3c2CN(S(=O)(=O)c2cccc(C)c2)CC3)cc1	ZINC000034756904	553999963	/nfs/dbraw/zinc/99/99/63/553999963.db2.gz	SDYIPRCIWXCBDC-UHFFFAOYSA-N	0	0	509.632	3.085	50	0		KGAARN
COc1ccc(CC(=O)N2CCc3nc(N4CCN(C)CC4)nc(Oc4cccc(OC)c4)c3C2)cc1	ZINC000034758631	554000728	/nfs/dbraw/zinc/00/07/28/554000728.db2.gz	UPKXZNMRDFAUBH-UHFFFAOYSA-N	0	0	503.603	3.165	50	0		KGAARN
COc1cccc(CC(=O)N2CCc3nc(N4CCN(C)CC4)nc(Oc4cccc(OC)c4)c3C2)c1	ZINC000034758642	554000719	/nfs/dbraw/zinc/00/07/19/554000719.db2.gz	MTJRSPKQGMIDRH-UHFFFAOYSA-N	0	0	503.603	3.165	50	0		KGAARN
COc1ccc(CC(=O)N2CCc3nc(N4CCN(C)CC4)nc(Oc4ccc(F)cc4F)c3C2)cc1	ZINC000034758732	554000778	/nfs/dbraw/zinc/00/07/78/554000778.db2.gz	IUIXMSOYPIGOKB-UHFFFAOYSA-N	0	0	509.557	3.435	50	0		KGAARN
COc1cccc(CC(=O)N2CCc3nc(N4CCN(C)CC4)nc(Oc4ccc(F)cc4F)c3C2)c1	ZINC000034758754	554000688	/nfs/dbraw/zinc/00/06/88/554000688.db2.gz	CGLQFNUKMVXNEC-UHFFFAOYSA-N	0	0	509.557	3.435	50	0		KGAARN
COc1ccc(CC(=O)N2CCc3nc(N4CCN(C)CC4)nc(Oc4ccccc4OC)c3C2)cc1	ZINC000034758943	554000940	/nfs/dbraw/zinc/00/09/40/554000940.db2.gz	MKEJIZFJDXSBNQ-UHFFFAOYSA-N	0	0	503.603	3.165	50	0		KGAARN
COc1cccc(CC(=O)N2CCc3nc(N4CCN(C)CC4)nc(Oc4ccccc4OC)c3C2)c1	ZINC000034758969	554000984	/nfs/dbraw/zinc/00/09/84/554000984.db2.gz	JPBDIXHRNBXLCA-UHFFFAOYSA-N	0	0	503.603	3.165	50	0		KGAARN
COc1ccc(CC(=O)N2CCc3nc(N4CCN(C)CC4)nc(Oc4ccc(OC)cc4)c3C2)cc1	ZINC000034759021	554000978	/nfs/dbraw/zinc/00/09/78/554000978.db2.gz	YJOBNIPTOJKOTJ-UHFFFAOYSA-N	0	0	503.603	3.165	50	0		KGAARN
COc1ccc(Oc2nc(N3CCN(C)CC3)nc3c2CN(C(=O)Cc2cccc(OC)c2)CC3)cc1	ZINC000034759034	554000958	/nfs/dbraw/zinc/00/09/58/554000958.db2.gz	QGQHAQUCVCRRHM-UHFFFAOYSA-N	0	0	503.603	3.165	50	0		KGAARN
COc1cc(OC)cc(C(=O)N2CCc3nc(N4CCN(C)CC4)nc(Oc4ccc(F)cc4)c3C2)c1	ZINC000034759940	554001348	/nfs/dbraw/zinc/00/13/48/554001348.db2.gz	BAQJQJUXQSZGDK-UHFFFAOYSA-N	0	0	507.566	3.376	50	0		KGAARN
COc1ccc(CC(=O)N2CCc3nc(N4CCN(C)CC4)nc(Oc4ccc(F)c(F)c4)c3C2)cc1	ZINC000034760255	554001311	/nfs/dbraw/zinc/00/13/11/554001311.db2.gz	RVRRIZFYGKDBME-UHFFFAOYSA-N	0	0	509.557	3.435	50	0		KGAARN
COc1cccc(CC(=O)N2CCc3nc(N4CCN(C)CC4)nc(Oc4ccc(F)c(F)c4)c3C2)c1	ZINC000034760282	554001660	/nfs/dbraw/zinc/00/16/60/554001660.db2.gz	JITMMVGPGZNOGQ-UHFFFAOYSA-N	0	0	509.557	3.435	50	0		KGAARN
CC(C)NC(=O)CN1CCN(C(=O)c2ccc(/C=C3\SC(=O)N(Cc4ccccc4)C3=O)cc2)CC1	ZINC000034761290	554001610	/nfs/dbraw/zinc/00/16/10/554001610.db2.gz	INEAKFUYACIPGL-KQWNVCNZSA-N	0	0	506.628	3.206	50	0		KGAARN
CC(C)NC(=O)CN1CCN(C(=O)c2ccc(/C=C3\SC(=O)N(Cc4cccc(F)c4)C3=O)cc2)CC1	ZINC000034761410	554001927	/nfs/dbraw/zinc/00/19/27/554001927.db2.gz	XBVJDZXIBOIAFL-HAHDFKILSA-N	0	0	524.618	3.345	50	0		KGAARN
CC(C)NC(=O)CN1CCN(C(=O)c2cccc(/C=C3\SC(=O)N(Cc4ccccc4F)C3=O)c2)CC1	ZINC000034761515	554001832	/nfs/dbraw/zinc/00/18/32/554001832.db2.gz	GWKUYOZGPAEDMR-HAHDFKILSA-N	0	0	524.618	3.345	50	0		KGAARN
CC(C)NC(=O)CN1CCN(C(=O)c2cccc(/C=C3\SC(=O)N(Cc4ccc(F)cc4)C3=O)c2)CC1	ZINC000034761570	554001955	/nfs/dbraw/zinc/00/19/55/554001955.db2.gz	SXPBRVUMFQZYOB-HAHDFKILSA-N	0	0	524.618	3.345	50	0		KGAARN
CC(C)NC(=O)CN1CCN(C(=O)c2cccc(/C=C3\SC(=O)N(Cc4ccccc4)C3=O)c2)CC1	ZINC000034761636	554001858	/nfs/dbraw/zinc/00/18/58/554001858.db2.gz	JGGKIKZZAKMGPX-KQWNVCNZSA-N	0	0	506.628	3.206	50	0		KGAARN
CCN1C2=C(C(=O)N([C@@H](CC(C)C)C(=O)NCCCOC)C2)[C@H](c2ccccc2C(F)(F)F)NC1=O	ZINC000034791459	554007172	/nfs/dbraw/zinc/00/71/72/554007172.db2.gz	JKGWKUMXVNDDPU-RXVVDRJESA-N	0	0	510.557	3.455	50	0		KGAARN
CCN1C2=C(C(=O)N([C@@H](CC(C)C)C(=O)NCCCOC)C2)[C@@H](c2ccccc2C(F)(F)F)NC1=O	ZINC000034791461	554007232	/nfs/dbraw/zinc/00/72/32/554007232.db2.gz	JKGWKUMXVNDDPU-GHTZIAJQSA-N	0	0	510.557	3.455	50	0		KGAARN
CCN1C2=C(C(=O)N([C@H](CC(C)C)C(=O)NCCCOC)C2)[C@H](c2ccccc2C(F)(F)F)NC1=O	ZINC000034791463	554007192	/nfs/dbraw/zinc/00/71/92/554007192.db2.gz	JKGWKUMXVNDDPU-NQIIRXRSSA-N	0	0	510.557	3.455	50	0		KGAARN
CCN1C2=C(C(=O)N([C@H](CC(C)C)C(=O)NCCCOC)C2)[C@@H](c2ccccc2C(F)(F)F)NC1=O	ZINC000034791465	554007249	/nfs/dbraw/zinc/00/72/49/554007249.db2.gz	JKGWKUMXVNDDPU-WIYYLYMNSA-N	0	0	510.557	3.455	50	0		KGAARN
C=CCN1C2=C(C(=O)N(CC(=O)NCCc3ccc(OC)c(OC)c3)C2)[C@H](c2ccccc2Cl)NC1=O	ZINC000034791846	554007561	/nfs/dbraw/zinc/00/75/61/554007561.db2.gz	CAQZCFGWFJWCRM-VWLOTQADSA-N	0	0	525.005	3.065	50	0		KGAARN
C=CCN1C2=C(C(=O)N(CC(=O)NCCc3ccc(OC)c(OC)c3)C2)[C@@H](c2ccccc2Cl)NC1=O	ZINC000034791848	554007645	/nfs/dbraw/zinc/00/76/45/554007645.db2.gz	CAQZCFGWFJWCRM-RUZDIDTESA-N	0	0	525.005	3.065	50	0		KGAARN
C=CCN1C2=C(C(=O)N(CC(=O)N3CCN(c4ccccc4C)CC3)C2)[C@H](c2cccc(Cl)c2)NC1=O	ZINC000034792301	554007749	/nfs/dbraw/zinc/00/77/49/554007749.db2.gz	JPZSVTWRRFIWGG-SANMLTNESA-N	0	0	520.033	3.346	50	0		KGAARN
C=CCN1C2=C(C(=O)N(CC(=O)N3CCN(c4ccccc4C)CC3)C2)[C@@H](c2cccc(Cl)c2)NC1=O	ZINC000034792304	554007792	/nfs/dbraw/zinc/00/77/92/554007792.db2.gz	JPZSVTWRRFIWGG-AREMUKBSSA-N	0	0	520.033	3.346	50	0		KGAARN
COc1ccc(CCNC(=O)CN2CC3=C(C2=O)[C@@H](c2ccc(C(C)(C)C)cc2)NC(=O)N3C)cc1OC	ZINC000034792534	554008098	/nfs/dbraw/zinc/00/80/98/554008098.db2.gz	HQBRUZHIECGDMM-AREMUKBSSA-N	0	0	520.630	3.153	50	0		KGAARN
COc1ccc(CCNC(=O)CN2CC3=C(C2=O)[C@H](c2ccc(C(C)(C)C)cc2)NC(=O)N3C)cc1OC	ZINC000034792536	554008067	/nfs/dbraw/zinc/00/80/67/554008067.db2.gz	HQBRUZHIECGDMM-SANMLTNESA-N	0	0	520.630	3.153	50	0		KGAARN
COc1ccccc1N1CCN(C(=O)CN2CC3=C(C2=O)[C@@H](c2ccc(C(C)(C)C)cc2)NC(=O)N3C)CC1	ZINC000034792544	554008109	/nfs/dbraw/zinc/00/81/09/554008109.db2.gz	VSRLGAXLOOOZJM-HHHXNRCGSA-N	0	0	531.657	3.134	50	0		KGAARN
COc1ccccc1N1CCN(C(=O)CN2CC3=C(C2=O)[C@H](c2ccc(C(C)(C)C)cc2)NC(=O)N3C)CC1	ZINC000034792546	554008161	/nfs/dbraw/zinc/00/81/61/554008161.db2.gz	VSRLGAXLOOOZJM-MHZLTWQESA-N	0	0	531.657	3.134	50	0		KGAARN
CN1C2=C(C(=O)N(CC(=O)N3CCN(c4ccccc4F)CC3)C2)[C@@H](c2ccc(C(C)(C)C)cc2)NC1=O	ZINC000034792548	554008088	/nfs/dbraw/zinc/00/80/88/554008088.db2.gz	BWFIJJKLGDDAGZ-AREMUKBSSA-N	0	0	519.621	3.264	50	0		KGAARN
CN1C2=C(C(=O)N(CC(=O)N3CCN(c4ccccc4F)CC3)C2)[C@H](c2ccc(C(C)(C)C)cc2)NC1=O	ZINC000034792549	554008172	/nfs/dbraw/zinc/00/81/72/554008172.db2.gz	BWFIJJKLGDDAGZ-SANMLTNESA-N	0	0	519.621	3.264	50	0		KGAARN
CCN1C2=C(C(=O)N(CC(=O)NCCOc3ccccc3)C2)[C@H](c2ccc(Cl)cc2Cl)NC1=O	ZINC000034793322	554008529	/nfs/dbraw/zinc/00/85/29/554008529.db2.gz	OYYJZZBMKPTITI-QFIPXVFZSA-N	0	0	503.386	3.371	50	0		KGAARN
CCN1C2=C(C(=O)N(CC(=O)NCCOc3ccccc3)C2)[C@@H](c2ccc(Cl)cc2Cl)NC1=O	ZINC000034793324	554008628	/nfs/dbraw/zinc/00/86/28/554008628.db2.gz	OYYJZZBMKPTITI-JOCHJYFZSA-N	0	0	503.386	3.371	50	0		KGAARN
CCN1C2=C(C(=O)N([C@@H](C)C(=O)NCCc3ccccn3)C2)[C@H](c2ccc(Cl)cc2Cl)NC1=O	ZINC000034793405	554008586	/nfs/dbraw/zinc/00/85/86/554008586.db2.gz	JZKTXLFVGKBJTR-QKKBWIMNSA-N	0	0	502.402	3.318	50	0		KGAARN
CCN1C2=C(C(=O)N([C@@H](C)C(=O)NCCc3ccccn3)C2)[C@@H](c2ccc(Cl)cc2Cl)NC1=O	ZINC000034793407	554008602	/nfs/dbraw/zinc/00/86/02/554008602.db2.gz	JZKTXLFVGKBJTR-LHSJRXKWSA-N	0	0	502.402	3.318	50	0		KGAARN
CCN1C2=C(C(=O)N([C@H](C)C(=O)NCCc3ccccn3)C2)[C@H](c2ccc(Cl)cc2Cl)NC1=O	ZINC000034793410	554008526	/nfs/dbraw/zinc/00/85/26/554008526.db2.gz	JZKTXLFVGKBJTR-SZNDQCEHSA-N	0	0	502.402	3.318	50	0		KGAARN
CCN1C2=C(C(=O)N([C@H](C)C(=O)NCCc3ccccn3)C2)[C@@H](c2ccc(Cl)cc2Cl)NC1=O	ZINC000034793411	554008518	/nfs/dbraw/zinc/00/85/18/554008518.db2.gz	JZKTXLFVGKBJTR-SPLOXXLWSA-N	0	0	502.402	3.318	50	0		KGAARN
CCN1C2=C(C(=O)N(CCC(=O)NCCc3ccccn3)C2)[C@H](c2ccc(Cl)cc2Cl)NC1=O	ZINC000034793491	554008579	/nfs/dbraw/zinc/00/85/79/554008579.db2.gz	WDFKHHBMBXJYTP-QFIPXVFZSA-N	0	0	502.402	3.320	50	0		KGAARN
CCN1C2=C(C(=O)N(CCC(=O)NCCc3ccccn3)C2)[C@@H](c2ccc(Cl)cc2Cl)NC1=O	ZINC000034793493	554008559	/nfs/dbraw/zinc/00/85/59/554008559.db2.gz	WDFKHHBMBXJYTP-JOCHJYFZSA-N	0	0	502.402	3.320	50	0		KGAARN
CC[C@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2ccc(S(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)cc2)C1=O	ZINC000034797443	554008881	/nfs/dbraw/zinc/00/88/81/554008881.db2.gz	BOEQDYVNNIZLQF-LZJCXSABSA-N	0	0	512.632	3.149	50	0		KGAARN
O=C(c1cc2n(n1)CCN(Cc1ccc(Cl)cc1)C2=O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1	ZINC000034810902	554010527	/nfs/dbraw/zinc/01/05/27/554010527.db2.gz	ODRTWHLRRSXBIJ-UHFFFAOYSA-N	0	0	504.978	3.313	50	0		KGAARN
COc1cc(CN2CCn3nc(C(=O)N4CCN(C/C=C/c5ccccc5)CC4)cc3C2=O)cc(OC)c1	ZINC000034811350	554010486	/nfs/dbraw/zinc/01/04/86/554010486.db2.gz	RBMNFKDIXKRQRV-RMKNXTFCSA-N	0	0	515.614	3.028	50	0		KGAARN
O=C(CN1CCN(C(=O)c2csc(Nc3ccccc3Cl)n2)CC1)NCCOc1ccccc1	ZINC000034811767	554010774	/nfs/dbraw/zinc/01/07/74/554010774.db2.gz	PBHAMUPNDYSGSB-UHFFFAOYSA-N	0	0	500.024	3.493	50	0		KGAARN
O=C(c1cc2n(n1)CCN(Cc1ccc(Cl)c(Cl)c1)C2=O)N1CCN(C(=O)c2ccco2)CC1	ZINC000034830912	554017047	/nfs/dbraw/zinc/01/70/47/554017047.db2.gz	WIESXMKCMFBCIB-UHFFFAOYSA-N	0	0	502.358	3.037	50	0		KGAARN
O=C(c1cc2n(n1)CCN(Cc1c(Cl)cccc1Cl)C2=O)N1CCN(C(=O)c2ccco2)CC1	ZINC000034830929	554016964	/nfs/dbraw/zinc/01/69/64/554016964.db2.gz	HCAOLINEBNXZKG-UHFFFAOYSA-N	0	0	502.358	3.037	50	0		KGAARN
O=C(CN1CCN(C(=O)c2csc(NC3CCCCC3)n2)CC1)N1CCN(CCc2ccccc2)CC1	ZINC000034831413	554017239	/nfs/dbraw/zinc/01/72/39/554017239.db2.gz	IQNLKTZOAYHBEA-UHFFFAOYSA-N	0	0	524.735	3.032	50	0		KGAARN
O=C(CN1CCN(C(=O)c2csc(Nc3cccc(C(F)(F)F)c3)n2)CC1)NCc1ccccn1	ZINC000034831510	554017324	/nfs/dbraw/zinc/01/73/24/554017324.db2.gz	FMBUBMKSSOFZEX-UHFFFAOYSA-N	0	0	504.538	3.375	50	0		KGAARN
CCOC(=O)[C@@H]1CCCN(C(=O)CN2CCN(C(=O)c3csc(Nc4ccc(Cl)cc4)n3)CC2)C1	ZINC000034831608	554017311	/nfs/dbraw/zinc/01/73/11/554017311.db2.gz	AEEZLXGYAATQNG-QGZVFWFLSA-N	0	0	520.055	3.100	50	0		KGAARN
CCOC(=O)[C@H]1CCCN(C(=O)CN2CCN(C(=O)c3csc(Nc4ccc(Cl)cc4)n3)CC2)C1	ZINC000034831609	554017267	/nfs/dbraw/zinc/01/72/67/554017267.db2.gz	AEEZLXGYAATQNG-KRWDZBQOSA-N	0	0	520.055	3.100	50	0		KGAARN
COc1ccc(Cl)cc1N1CCN(c2nnc(C(=O)NCCCN3CCOCC3)c3ccccc32)CC1	ZINC000034839024	554020683	/nfs/dbraw/zinc/02/06/83/554020683.db2.gz	FEBRDRHQYMAZSE-UHFFFAOYSA-N	0	0	525.053	3.071	50	0		KGAARN
CCCN1C(=O)[C@H]2[C@@H](C(=O)Nc3ccc(Br)cc3)[C@H]3C=C[C@@]2(O3)[C@H]1C(=O)NC1CCCCC1	ZINC000034848197	554021066	/nfs/dbraw/zinc/02/10/66/554021066.db2.gz	DHTGBVXHTHORAJ-JFHULYJISA-N	0	0	516.436	3.397	50	0	biogenic	KGAARN
CCCN1C(=O)[C@H]2[C@@H](C(=O)Nc3ccc(Br)cc3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)NC1CCCCC1	ZINC000034848198	554021002	/nfs/dbraw/zinc/02/10/02/554021002.db2.gz	DHTGBVXHTHORAJ-GBHCNSOCSA-N	0	0	516.436	3.397	50	0	biogenic	KGAARN
O=C(CN1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1)Nc1ccc2c(c1)OC(F)(F)O2	ZINC000034854028	554021500	/nfs/dbraw/zinc/02/15/00/554021500.db2.gz	IGKPMTXCCVXZAX-UHFFFAOYSA-N	0	0	508.330	3.260	50	0		KGAARN
COC(=O)c1c(NC(=O)CN2CCN(S(=O)(=O)c3ccc(C)c(C)c3)CC2)sc2c1CCCCC2	ZINC000034859014	554021746	/nfs/dbraw/zinc/02/17/46/554021746.db2.gz	XLDUOGYZIODIGP-UHFFFAOYSA-N	0	0	519.689	3.365	50	0		KGAARN
Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)Nc3ccc(S(=O)(=O)N4C[C@H](C)C[C@H](C)C4)cc3)C2=O)cc1	ZINC000034863244	554021712	/nfs/dbraw/zinc/02/17/12/554021712.db2.gz	WFWBIYNKULVCOR-UYXZNNOOSA-N	0	0	512.632	3.067	50	0		KGAARN
C[C@@H](OC(=O)c1ccc(Cl)c(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)c1)C(=O)N[C@@H]1CCCC[C@H]1C	ZINC000034868195	554021999	/nfs/dbraw/zinc/02/19/99/554021999.db2.gz	OENMYQFODNMISZ-ISIBIEBGSA-N	0	0	501.045	3.378	50	0		KGAARN
COc1cc([C@H]2C(C(=O)OCC(C)C)=C(C)N=c3s/c(=C/c4ccccc4)c(=O)n32)ccc1OC(C)=O	ZINC000034870527	554022259	/nfs/dbraw/zinc/02/22/59/554022259.db2.gz	PHCCBSNVMMECBS-ITIZVALFSA-N	0	0	520.607	3.368	50	0		KGAARN
COc1cc([C@@H]2C(C(=O)OCC(C)C)=C(C)N=c3s/c(=C/c4ccccc4)c(=O)n32)ccc1OC(C)=O	ZINC000034870528	554022297	/nfs/dbraw/zinc/02/22/97/554022297.db2.gz	PHCCBSNVMMECBS-YXDQGSNCSA-N	0	0	520.607	3.368	50	0		KGAARN
Cc1ccccc1-c1nn2c(nc(CN3CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)cc2=O)s1	ZINC000034871792	554022583	/nfs/dbraw/zinc/02/25/83/554022583.db2.gz	SKKNEOBUGJEQDC-UHFFFAOYSA-N	0	0	516.048	3.286	50	0		KGAARN
Cc1cccc(-c2nn3c(nc(CN4CCN(S(=O)(=O)c5ccc(Cl)cc5)CC4)cc3=O)s2)c1	ZINC000034871803	554022597	/nfs/dbraw/zinc/02/25/97/554022597.db2.gz	MLNFKYSKDNGRHP-UHFFFAOYSA-N	0	0	516.048	3.286	50	0		KGAARN
Cc1ccc(-c2nn3c(nc(CN4CCN(C(=O)COc5ccc(C)c(C)c5)CC4)cc3=O)s2)cc1	ZINC000034871804	554022615	/nfs/dbraw/zinc/02/26/15/554022615.db2.gz	VWHMHWIYVBMZEC-UHFFFAOYSA-N	0	0	503.628	3.466	50	0		KGAARN
Cc1ccc(-c2nn3c(nc(CN4CCN(S(=O)(=O)c5ccc(Cl)cc5)CC4)cc3=O)s2)cc1	ZINC000034871809	554022608	/nfs/dbraw/zinc/02/26/08/554022608.db2.gz	MXYXLEZHANUYSG-UHFFFAOYSA-N	0	0	516.048	3.286	50	0		KGAARN
O=C(COc1ccccc1F)N1CCN(Cc2cc(=O)n3nc(-c4ccccc4Cl)sc3n2)CC1	ZINC000034871813	554022588	/nfs/dbraw/zinc/02/25/88/554022588.db2.gz	ATGNBFOEJIIAOY-UHFFFAOYSA-N	0	0	513.982	3.334	50	0		KGAARN
Cc1ccc(S(=O)(=O)N2CCN(Cc3cc(=O)n4nc(-c5ccccc5Cl)sc4n3)CC2)cc1	ZINC000034871823	554022577	/nfs/dbraw/zinc/02/25/77/554022577.db2.gz	FZUXHKGTSIJGLX-UHFFFAOYSA-N	0	0	516.048	3.286	50	0		KGAARN
CCOC(=O)c1ccccc1NC(=O)N1CCN(Cc2cc(=O)n3nc(-c4ccccc4)sc3n2)CC1	ZINC000034871848	554022863	/nfs/dbraw/zinc/02/28/63/554022863.db2.gz	HDZQZKXRZFBUAW-UHFFFAOYSA-N	0	0	518.599	3.344	50	0		KGAARN
COC(=O)c1ccc(NC(=O)N2CCN(Cc3cc(=O)n4nc(-c5ccc(C)cc5)sc4n3)CC2)cc1	ZINC000034871853	554022819	/nfs/dbraw/zinc/02/28/19/554022819.db2.gz	QPPVHYFVKPSNIY-UHFFFAOYSA-N	0	0	518.599	3.263	50	0		KGAARN
O=C(CN1CCN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1)Nc1ccc2c(c1)OCO2	ZINC000034872878	554022859	/nfs/dbraw/zinc/02/28/59/554022859.db2.gz	JOBFFJQYDITHLT-UHFFFAOYSA-N	0	0	505.902	3.033	50	0		KGAARN
COc1cc(C(=O)N2CCC(C(=O)N[C@@H]3CCCC[C@H]3NC(=O)c3ccccc3)CC2)cc(OC)c1OC	ZINC000034899599	554024161	/nfs/dbraw/zinc/02/41/61/554024161.db2.gz	WUQZLLVRFJXIEU-DHIUTWEWSA-N	0	0	523.630	3.422	50	0		KGAARN
COc1ccc(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)[C@@H]2CCCN(C(=O)c3cc(OC)cc(OC)c3)C2)cc1	ZINC000034900071	554024533	/nfs/dbraw/zinc/02/45/33/554024533.db2.gz	ABGCZZWDKKZYJR-LIKDZFNVSA-N	0	0	523.630	3.422	50	0		KGAARN
COc1ccc(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)[C@H]2CCCN(C(=O)c3cc(OC)cc(OC)c3)C2)cc1	ZINC000034900073	554024539	/nfs/dbraw/zinc/02/45/39/554024539.db2.gz	ABGCZZWDKKZYJR-GKBBYZSKSA-N	0	0	523.630	3.422	50	0		KGAARN
Cc1ccccc1C(=O)N[C@@H]1CCCC[C@H]1NC(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1	ZINC000034900352	554024789	/nfs/dbraw/zinc/02/47/89/554024789.db2.gz	DNVQSWTYOSXPRW-DNQXCXABSA-N	0	0	501.624	3.392	50	0		KGAARN
O=C(N[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)c1ccc(F)cc1	ZINC000034900376	554024750	/nfs/dbraw/zinc/02/47/50/554024750.db2.gz	KTOYTVHTHLZGHF-SXSPYAJSSA-N	0	0	505.587	3.223	50	0		KGAARN
O=C(N[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)c1ccc(F)cc1	ZINC000034900378	554024725	/nfs/dbraw/zinc/02/47/25/554024725.db2.gz	KTOYTVHTHLZGHF-CDNPAEQRSA-N	0	0	505.587	3.223	50	0		KGAARN
Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N[C@@H]3CCCC[C@H]3NC(=O)c3ccc(F)cc3)C2)cc1	ZINC000034900379	554024709	/nfs/dbraw/zinc/02/47/09/554024709.db2.gz	GTVSATUVGZIAIZ-TUACAJSNSA-N	0	0	501.624	3.392	50	0		KGAARN
Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N[C@@H]3CCCC[C@H]3NC(=O)c3ccc(F)cc3)C2)cc1	ZINC000034900380	554024765	/nfs/dbraw/zinc/02/47/65/554024765.db2.gz	GTVSATUVGZIAIZ-AGILITTLSA-N	0	0	501.624	3.392	50	0		KGAARN
O=C(N[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1)c1ccc(F)cc1	ZINC000034900383	554024792	/nfs/dbraw/zinc/02/47/92/554024792.db2.gz	WQLOKMTWTCABEQ-QPTUXGOLSA-N	0	0	501.624	3.225	50	0		KGAARN
O=C(N[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1)c1ccc(F)cc1	ZINC000034900384	554024740	/nfs/dbraw/zinc/02/47/40/554024740.db2.gz	WQLOKMTWTCABEQ-GMKZXUHWSA-N	0	0	501.624	3.225	50	0		KGAARN
Cc1ccccc1C(=O)N[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1	ZINC000034900765	554025047	/nfs/dbraw/zinc/02/50/47/554025047.db2.gz	HAGLHNYHKPORMJ-CTUHWIOQSA-N	0	0	501.624	3.392	50	0		KGAARN
Cc1ccccc1C(=O)N[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1	ZINC000034900767	554025023	/nfs/dbraw/zinc/02/50/23/554025023.db2.gz	HAGLHNYHKPORMJ-WUMKDDEVSA-N	0	0	501.624	3.392	50	0		KGAARN
COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N[C@@H]3CCCC[C@H]3NC(=O)c3ccccc3C)C2)cc1	ZINC000034900787	554025031	/nfs/dbraw/zinc/02/50/31/554025031.db2.gz	QGQWDCHWZKDRMZ-NIJXNBFTSA-N	0	0	513.660	3.262	50	0		KGAARN
COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N[C@@H]3CCCC[C@H]3NC(=O)c3ccccc3C)C2)cc1	ZINC000034900789	554025040	/nfs/dbraw/zinc/02/50/40/554025040.db2.gz	QGQWDCHWZKDRMZ-BUUDZMLXSA-N	0	0	513.660	3.262	50	0		KGAARN
CCS(=O)(=O)N(CC(=O)N(Cc1ccc(OC)cc1)C1CCN(C(C)=O)CC1)CC1CCCCC1	ZINC000034909656	554028000	/nfs/dbraw/zinc/02/80/00/554028000.db2.gz	LGTQZNSTVCWLOV-UHFFFAOYSA-N	0	0	507.697	3.267	50	0		KGAARN
CCC(=O)N1CCC(N(Cc2ccc(C)cc2)C(=O)CN(CCOC)S(=O)(=O)c2ccccc2)CC1	ZINC000034909663	554027973	/nfs/dbraw/zinc/02/79/73/554027973.db2.gz	LTRYZQMMLCZOGA-UHFFFAOYSA-N	0	0	515.676	3.062	50	0		KGAARN
CCCC(=O)N1CCC(N(Cc2ccc(C)cc2)C(=O)CN(CCOC)S(=O)(=O)c2ccccc2)CC1	ZINC000034909665	554027951	/nfs/dbraw/zinc/02/79/51/554027951.db2.gz	CFOWRQJHZTVPRN-UHFFFAOYSA-N	0	0	529.703	3.452	50	0		KGAARN
COCCN(CC(=O)N(Cc1ccc(C)cc1)C1CCN(C(=O)C(C)C)CC1)S(=O)(=O)c1ccccc1	ZINC000034909667	554027998	/nfs/dbraw/zinc/02/79/98/554027998.db2.gz	QFQRMTAEMOAQMN-UHFFFAOYSA-N	0	0	529.703	3.308	50	0		KGAARN
COCCN(CC(=O)N(Cc1ccc(C)cc1)C1CCN(C(=O)C2CC2)CC1)S(=O)(=O)c1ccccc1	ZINC000034909672	554027954	/nfs/dbraw/zinc/02/79/54/554027954.db2.gz	ICDGBAXJEPKCLA-UHFFFAOYSA-N	0	0	527.687	3.062	50	0		KGAARN
CCCS(=O)(=O)N(CCC(C)C)CC(=O)N(Cc1ccccc1C)C1CCN(C(=O)COC)CC1	ZINC000034909701	554027949	/nfs/dbraw/zinc/02/79/49/554027949.db2.gz	BANDCINWJKOBEK-UHFFFAOYSA-N	0	0	509.713	3.049	50	0		KGAARN
CCNC(=O)N1CCC(N(Cc2ccc(OC)cc2)C(=O)CN(CC2CCCCC2)S(=O)(=O)CC)CC1	ZINC000034909703	554028273	/nfs/dbraw/zinc/02/82/73/554028273.db2.gz	PCZKLAJUUNSPTA-UHFFFAOYSA-N	0	0	536.739	3.450	50	0		KGAARN
CCCS(=O)(=O)N(CCC(C)C)CC(=O)N(Cc1ccccc1C)C1CCN(S(=O)(=O)CC)CC1	ZINC000034909713	554028229	/nfs/dbraw/zinc/02/82/29/554028229.db2.gz	BVJIXTRNCQWGIM-UHFFFAOYSA-N	0	0	529.769	3.226	50	0		KGAARN
CCCC(=O)N1CCC(N(Cc2ccc(Cl)cc2)C(=O)CN(CCOC)S(=O)(=O)CCC)CC1	ZINC000034909718	554028232	/nfs/dbraw/zinc/02/82/32/554028232.db2.gz	JQCMZGZHZRVECE-UHFFFAOYSA-N	0	0	516.104	3.148	50	0		KGAARN
CCCS(=O)(=O)N(CCOC)CC(=O)N(Cc1ccc(Cl)cc1)C1CCN(C(=O)C(C)(C)C)CC1	ZINC000034909722	554028237	/nfs/dbraw/zinc/02/82/37/554028237.db2.gz	MKHWQSXJRBZPFO-UHFFFAOYSA-N	0	0	530.131	3.394	50	0		KGAARN
CCCS(=O)(=O)N(CCOC)CC(=O)N(Cc1ccc(Cl)cc1)C1CCN(C(=O)C(C)C)CC1	ZINC000034909724	554028279	/nfs/dbraw/zinc/02/82/79/554028279.db2.gz	SIOLTRNDKLRSEI-UHFFFAOYSA-N	0	0	516.104	3.004	50	0		KGAARN
CCCS(=O)(=O)N(CCOC)CC(=O)N(Cc1ccc(Cl)cc1)C1CCN(C(=O)C2CCC2)CC1	ZINC000034909730	554028276	/nfs/dbraw/zinc/02/82/76/554028276.db2.gz	NEZJCQYOXZMRHT-UHFFFAOYSA-N	0	0	528.115	3.148	50	0		KGAARN
CCCS(=O)(=O)N(CCOC)CC(=O)N(Cc1ccc(Cl)cc1)C1CCN(C(=O)CC(C)C)CC1	ZINC000034909732	554028281	/nfs/dbraw/zinc/02/82/81/554028281.db2.gz	RRYNCDGZTKUNAZ-UHFFFAOYSA-N	0	0	530.131	3.394	50	0		KGAARN
CCCS(=O)(=O)N(CC(=O)N(Cc1ccccc1)C1CCN(C(=O)CCC(=O)OCC)CC1)CC(C)C	ZINC000034909787	554028518	/nfs/dbraw/zinc/02/85/18/554028518.db2.gz	ADBGWWAOMWPVHH-UHFFFAOYSA-N	0	0	537.723	3.047	50	0		KGAARN
CC(=O)N1CCC(N(Cc2ccc(F)cc2)C(=O)CN(C2CC2)S(=O)(=O)c2ccc(C)cc2)CC1	ZINC000034909805	554028533	/nfs/dbraw/zinc/02/85/33/554028533.db2.gz	APWSWWMSHWKPIQ-UHFFFAOYSA-N	0	0	501.624	3.327	50	0		KGAARN
Cc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccc(F)cc2)C2CCN(C(=O)N(C)C)CC2)C2CC2)cc1	ZINC000034909809	554028421	/nfs/dbraw/zinc/02/84/21/554028421.db2.gz	LSNPVRRBWSFODS-UHFFFAOYSA-N	0	0	530.666	3.462	50	0		KGAARN
CCCN(CC(=O)N(Cc1cccc(F)c1)C1CCN(C(=O)N(C)C)CC1)S(=O)(=O)c1ccccc1	ZINC000034909830	554028507	/nfs/dbraw/zinc/02/85/07/554028507.db2.gz	WWOJKBAFMHTCID-UHFFFAOYSA-N	0	0	518.655	3.401	50	0		KGAARN
CCCN(CC(=O)N(Cc1cccc(F)c1)C1CCN(C(=O)NCC)CC1)S(=O)(=O)c1ccccc1	ZINC000034909844	554028427	/nfs/dbraw/zinc/02/84/27/554028427.db2.gz	PRKXLPFAQNPMBW-UHFFFAOYSA-N	0	0	518.655	3.449	50	0		KGAARN
CCCN(CC(=O)N(Cc1ccc(OC)cc1)C1CCN(C(=O)N(C)C)CC1)S(=O)(=O)c1ccccc1	ZINC000034909859	554028669	/nfs/dbraw/zinc/02/86/69/554028669.db2.gz	UVRLLKOISRVSEY-UHFFFAOYSA-N	0	0	530.691	3.271	50	0		KGAARN
CCCN(CC(=O)N(Cc1ccc(OC)cc1)C1CCN(C(C)=O)CC1)S(=O)(=O)c1ccccc1	ZINC000034909864	554028704	/nfs/dbraw/zinc/02/87/04/554028704.db2.gz	BQXYZGCJOSRTTH-UHFFFAOYSA-N	0	0	501.649	3.136	50	0		KGAARN
CCCS(=O)(=O)N(CCOC)CC(=O)N(Cc1cccc(Cl)c1)C1CCN(C(=O)C(C)(C)C)CC1	ZINC000034910203	554028934	/nfs/dbraw/zinc/02/89/34/554028934.db2.gz	SAMGMEOWACKXTR-UHFFFAOYSA-N	0	0	530.131	3.394	50	0		KGAARN
CCCS(=O)(=O)N(CCOC)CC(=O)N(Cc1cccc(Cl)c1)C1CCN(C(=O)C(C)C)CC1	ZINC000034910205	554028973	/nfs/dbraw/zinc/02/89/73/554028973.db2.gz	JTNSTGYXRVRKIR-UHFFFAOYSA-N	0	0	516.104	3.004	50	0		KGAARN
CCCS(=O)(=O)N(CCOC)CC(=O)N(Cc1cccc(Cl)c1)C1CCN(C(=O)C2CCC2)CC1	ZINC000034910209	554028956	/nfs/dbraw/zinc/02/89/56/554028956.db2.gz	MQDZQJMIMUQTHY-UHFFFAOYSA-N	0	0	528.115	3.148	50	0		KGAARN
CCCS(=O)(=O)N(CCOC)CC(=O)N(Cc1cccc(Cl)c1)C1CCN(C(=O)CC(C)C)CC1	ZINC000034910211	554028943	/nfs/dbraw/zinc/02/89/43/554028943.db2.gz	UVCLJKLGURKPGC-UHFFFAOYSA-N	0	0	530.131	3.394	50	0		KGAARN
CCS(=O)(=O)N(CCOC)CC(=O)N(Cc1cccc(F)c1)C1CCN(C(=O)C2CCCCC2)CC1	ZINC000034910229	554028983	/nfs/dbraw/zinc/02/89/83/554028983.db2.gz	VKWYPGBVJYQXJI-UHFFFAOYSA-N	0	0	525.687	3.024	50	0		KGAARN
CCS(=O)(=O)N(CCOC)CC(=O)N(Cc1cccc(F)c1)C1CCN(C(=O)CCC2CCCC2)CC1	ZINC000034910232	554028931	/nfs/dbraw/zinc/02/89/31/554028931.db2.gz	NLZIVHIWCSRYOB-UHFFFAOYSA-N	0	0	539.714	3.414	50	0		KGAARN
CCCN(CC(=O)N(Cc1ccccc1C)C1CCN(C(=O)COc2ccccc2)CC1)S(=O)(=O)CC	ZINC000034910277	554029220	/nfs/dbraw/zinc/02/92/20/554029220.db2.gz	YPPBSKYMJXMCCU-UHFFFAOYSA-N	0	0	529.703	3.455	50	0		KGAARN
CCCN(CC(=O)N(Cc1ccccc1C)C1CCN(S(=O)(=O)c2ccccc2)CC1)S(=O)(=O)CC	ZINC000034910337	554029171	/nfs/dbraw/zinc/02/91/71/554029171.db2.gz	XWADAOIKHLZKAA-UHFFFAOYSA-N	0	0	535.732	3.239	50	0		KGAARN
COc1ccc(CC(=O)N2CCCN(c3c(-c4ccc(OC)c(OC)c4)cnc4ncnn43)CC2)cc1	ZINC000034915748	554030021	/nfs/dbraw/zinc/03/00/21/554030021.db2.gz	BULDIWZMNVDMKA-UHFFFAOYSA-N	0	0	502.575	3.099	50	0		KGAARN
CCOC(=O)c1cc(-c2ccc(N3CCN(C(=O)[C@H](C)OC(C)=O)CC3)cc2)n(-c2ccc(F)cc2)n1	ZINC000034915842	554030039	/nfs/dbraw/zinc/03/00/39/554030039.db2.gz	UWZAGOJUQFRSCH-SFHVURJKSA-N	0	0	508.550	3.455	50	0		KGAARN
CCOC(=O)CCC(=O)Nc1ccc(N2CCCC2)c(S(=O)(=O)NCCc2ccc(OC)c(OC)c2)c1	ZINC000034919334	554030537	/nfs/dbraw/zinc/03/05/37/554030537.db2.gz	XHYKHIUEQMTYQV-UHFFFAOYSA-N	0	0	533.647	3.107	50	0		KGAARN
CC[C@@H](C)NS(=O)(=O)c1cc(NC(=O)COc2ccc(Cl)cc2)ccc1N1CCC(C(N)=O)CC1	ZINC000034919865	554031081	/nfs/dbraw/zinc/03/10/81/554031081.db2.gz	XCYPAMSRZRVNNY-MRXNPFEDSA-N	0	0	523.055	3.136	50	0		KGAARN
CC[C@H](C)NS(=O)(=O)c1cc(NC(=O)COc2ccc(Cl)cc2)ccc1N1CCC(C(N)=O)CC1	ZINC000034919867	554031048	/nfs/dbraw/zinc/03/10/48/554031048.db2.gz	XCYPAMSRZRVNNY-INIZCTEOSA-N	0	0	523.055	3.136	50	0		KGAARN
COc1cccc(-c2cc(C(=O)N(CCC(=O)N3CCN(C(=O)c4ccco4)CC3)CC(C)C)no2)c1	ZINC000034922658	554032454	/nfs/dbraw/zinc/03/24/54/554032454.db2.gz	MHSDEZAIHSEODW-UHFFFAOYSA-N	0	0	508.575	3.416	50	0		KGAARN
CCCN1C(=O)c2ccccc2[C@@H](C(=O)NCCCN2CCOCC2)[C@H]1c1cc(OC)c(OC)c(OC)c1	ZINC000034928211	554032699	/nfs/dbraw/zinc/03/26/99/554032699.db2.gz	WGLPUWBEOWPQFZ-CLJLJLNGSA-N	0	0	525.646	3.242	50	0		KGAARN
CCCN1C(=O)c2ccccc2[C@@H](C(=O)NCCCN2CCOCC2)[C@@H]1c1cc(OC)c(OC)c(OC)c1	ZINC000034928212	554032704	/nfs/dbraw/zinc/03/27/04/554032704.db2.gz	WGLPUWBEOWPQFZ-FTJBHMTQSA-N	0	0	525.646	3.242	50	0		KGAARN
CCCN1C(=O)c2ccccc2[C@H](C(=O)NCCCN2CCOCC2)[C@H]1c1cc(OC)c(OC)c(OC)c1	ZINC000034928213	554032653	/nfs/dbraw/zinc/03/26/53/554032653.db2.gz	WGLPUWBEOWPQFZ-IZZNHLLZSA-N	0	0	525.646	3.242	50	0		KGAARN
CCCN1C(=O)c2ccccc2[C@H](C(=O)NCCCN2CCOCC2)[C@@H]1c1cc(OC)c(OC)c(OC)c1	ZINC000034928214	554032643	/nfs/dbraw/zinc/03/26/43/554032643.db2.gz	WGLPUWBEOWPQFZ-UIOOFZCWSA-N	0	0	525.646	3.242	50	0		KGAARN
CCCN1C(=O)c2ccccc2[C@@H](C(=O)N2CCN(C(C)=O)CC2)[C@H]1c1cc(OC)c(OC)c(OC)c1	ZINC000034928223	554032650	/nfs/dbraw/zinc/03/26/50/554032650.db2.gz	CESSWLCUSMICRV-JWQCQUIFSA-N	0	0	509.603	3.094	50	0		KGAARN
CCCN1C(=O)c2ccccc2[C@@H](C(=O)N2CCN(C(C)=O)CC2)[C@@H]1c1cc(OC)c(OC)c(OC)c1	ZINC000034928224	554032689	/nfs/dbraw/zinc/03/26/89/554032689.db2.gz	CESSWLCUSMICRV-RPBOFIJWSA-N	0	0	509.603	3.094	50	0		KGAARN
CCCN1C(=O)c2ccccc2[C@H](C(=O)N2CCN(C(C)=O)CC2)[C@H]1c1cc(OC)c(OC)c(OC)c1	ZINC000034928225	554032688	/nfs/dbraw/zinc/03/26/88/554032688.db2.gz	CESSWLCUSMICRV-LOSJGSFVSA-N	0	0	509.603	3.094	50	0		KGAARN
CCCN1C(=O)c2ccccc2[C@H](C(=O)N2CCN(C(C)=O)CC2)[C@@H]1c1cc(OC)c(OC)c(OC)c1	ZINC000034928226	554032683	/nfs/dbraw/zinc/03/26/83/554032683.db2.gz	CESSWLCUSMICRV-DQEYMECFSA-N	0	0	509.603	3.094	50	0		KGAARN
CCCN1C(=O)c2ccccc2[C@@H](C(=O)N2CCN(CCOC)CC2)[C@H]1c1cc(OC)c(OC)c(OC)c1	ZINC000034928283	554033017	/nfs/dbraw/zinc/03/30/17/554033017.db2.gz	GUQOKDFSEKUHNZ-CLJLJLNGSA-N	0	0	525.646	3.194	50	0		KGAARN
CCCN1C(=O)c2ccccc2[C@@H](C(=O)N2CCN(CCOC)CC2)[C@@H]1c1cc(OC)c(OC)c(OC)c1	ZINC000034928284	554032965	/nfs/dbraw/zinc/03/29/65/554032965.db2.gz	GUQOKDFSEKUHNZ-FTJBHMTQSA-N	0	0	525.646	3.194	50	0		KGAARN
CCCN1C(=O)c2ccccc2[C@H](C(=O)N2CCN(CCOC)CC2)[C@H]1c1cc(OC)c(OC)c(OC)c1	ZINC000034928285	554032951	/nfs/dbraw/zinc/03/29/51/554032951.db2.gz	GUQOKDFSEKUHNZ-IZZNHLLZSA-N	0	0	525.646	3.194	50	0		KGAARN
CCCN1C(=O)c2ccccc2[C@H](C(=O)N2CCN(CCOC)CC2)[C@@H]1c1cc(OC)c(OC)c(OC)c1	ZINC000034928286	554033030	/nfs/dbraw/zinc/03/30/30/554033030.db2.gz	GUQOKDFSEKUHNZ-UIOOFZCWSA-N	0	0	525.646	3.194	50	0		KGAARN
O=C(NCCN1C(=O)S/C(=C/c2ccccc2)C1=O)C1CCN(S(=O)(=O)c2cccs2)CC1	ZINC000035060400	554033824	/nfs/dbraw/zinc/03/38/24/554033824.db2.gz	IYFHVTJKWKVBCO-OBGWFSINSA-N	0	0	505.643	3.002	50	0		KGAARN
O=C(COc1ncnc2scc(-c3ccc(F)cc3)c21)N1CCN(S(=O)(=O)c2ccccc2)CC1	ZINC000035087125	554034395	/nfs/dbraw/zinc/03/43/95/554034395.db2.gz	USCCLYIMGJSKOC-UHFFFAOYSA-N	0	0	512.588	3.409	50	0		KGAARN
COC(=O)/C=C(/C(=O)OC)n1c(Cc2ccccc2)c(C(=O)OC)c(C(=O)OC)c1Cc1ccccc1	ZINC000035146696	554035507	/nfs/dbraw/zinc/03/55/07/554035507.db2.gz	UUKCGEVCPDIFQP-XLNRJJMWSA-N	0	0	505.523	3.430	50	0		KGAARN
CCc1cccc2c(C(=O)COC(=O)C=Cc3ccc(OC)c(S(=O)(=O)N4CCOCC4)c3)c[nH]c21	ZINC000035334992	1060001875	/nfs/dbraw/zinc/00/18/75/1060001875.db2.gz	LOGAJPMZDFOUIH-NTMALXAHSA-N	0	0	512.584	3.199	50	0		KGAARN
CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)/C=C\c2ccc(OC)c(OC)c2)c1	ZINC000035351888	1060002300	/nfs/dbraw/zinc/00/23/00/1060002300.db2.gz	HPGWYVAWPPAWQO-WQLSENKSSA-N	0	0	503.621	3.223	50	0		KGAARN
COc1cc(Cl)c(C)cc1NC(=O)COC(=O)/C=C\c1c(C)nn([C@@H]2CCS(=O)(=O)C2)c1Cl	ZINC000035363265	1060002279	/nfs/dbraw/zinc/00/22/79/1060002279.db2.gz	RMRAOGGOMCYUPH-ZRUQZJFASA-N	0	0	516.403	3.370	50	0		KGAARN
COc1cc(Cl)c(C)cc1NC(=O)COC(=O)/C=C\c1c(C)nn([C@H]2CCS(=O)(=O)C2)c1Cl	ZINC000035363266	1060002184	/nfs/dbraw/zinc/00/21/84/1060002184.db2.gz	RMRAOGGOMCYUPH-WSNITJDQSA-N	0	0	516.403	3.370	50	0		KGAARN
CC[C@H](C)[C@H](NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@H]2c3ccccc3C(=O)N21)C(=O)NC[C@H]1CCCO1	ZINC000035363921	554044928	/nfs/dbraw/zinc/04/49/28/554044928.db2.gz	LZHWTBSLFVCYEU-GBOUEIDYSA-N	0	0	514.626	3.464	50	0	biogenic	KGAARN
CCCc1nc2c(c(=O)n1CC(=O)N1CCN(c3ccccc3F)CC1)CCN(Cc1ccccc1)C2	ZINC000035372065	554044888	/nfs/dbraw/zinc/04/48/88/554044888.db2.gz	RESXRSANRBIFSF-UHFFFAOYSA-N	0	0	503.622	3.242	50	0		KGAARN
Cc1ccc(Cn2c3ccccc3nc(N3CCC(C(=O)N4CCC5(CC4)OCCO5)CC3)c2=O)cc1	ZINC000035372202	554045358	/nfs/dbraw/zinc/04/53/58/554045358.db2.gz	IYPKWXCCECAJSG-UHFFFAOYSA-N	0	0	502.615	3.335	50	0		KGAARN
CCn1nc(C)c2c1c(=O)n(Cc1ccco1)c(=O)n2CC(=O)Nc1ccc(Br)c(C)c1	ZINC000035374311	554045365	/nfs/dbraw/zinc/04/53/65/554045365.db2.gz	DXDYNQSYEZIVNY-UHFFFAOYSA-N	0	0	500.353	3.039	50	0		KGAARN
CC(C)CCNC(=O)CCCCn1c(=O)c2ccccc2n(CC(=O)NCc2ccccc2Cl)c1=O	ZINC000035377650	554045628	/nfs/dbraw/zinc/04/56/28/554045628.db2.gz	NXZGVKQPCAAMLV-UHFFFAOYSA-N	0	0	513.038	3.466	50	0		KGAARN
CC(C)CCNC(=O)CCCCn1c(=O)c2ccccc2n(CC(=O)Nc2cc(F)ccc2F)c1=O	ZINC000035377662	554045501	/nfs/dbraw/zinc/04/55/01/554045501.db2.gz	UGSTYRARQHEYBH-UHFFFAOYSA-N	0	0	500.546	3.413	50	0		KGAARN
CC(C)CCNC(=O)CCCCn1c(=O)c2ccccc2n(CC(=O)NCc2ccc(Cl)cc2)c1=O	ZINC000035377669	554045525	/nfs/dbraw/zinc/04/55/25/554045525.db2.gz	HROOXVNEAMXNQJ-UHFFFAOYSA-N	0	0	513.038	3.466	50	0		KGAARN
COc1ccc(Cl)cc1NC(=O)Cn1c2ccccc2c(=O)n(CCCCC(=O)NC(C)C)c1=O	ZINC000035377684	554045578	/nfs/dbraw/zinc/04/55/78/554045578.db2.gz	MRMNPIFLRDWUCS-UHFFFAOYSA-N	0	0	500.983	3.159	50	0		KGAARN
O=C(CCCCn1c(=O)c2ccccc2n(CC(=O)NCc2ccccc2)c1=O)NCc1cccs1	ZINC000035377707	554045586	/nfs/dbraw/zinc/04/55/86/554045586.db2.gz	LQYJSDGUCZFDJF-UHFFFAOYSA-N	0	0	504.612	3.028	50	0		KGAARN
O=C(CCCCn1c(=O)c2ccccc2n(CC(=O)NCCc2ccccc2)c1=O)NCc1cccs1	ZINC000035377711	554045457	/nfs/dbraw/zinc/04/54/57/554045457.db2.gz	WWNTZMAURBFSIK-UHFFFAOYSA-N	0	0	518.639	3.070	50	0		KGAARN
O=C(CCCCn1c(=O)c2ccccc2n(CC(=O)Nc2ccc(F)cc2)c1=O)NCc1cccs1	ZINC000035377713	554045504	/nfs/dbraw/zinc/04/55/04/554045504.db2.gz	OYJVVALLEQFGPG-UHFFFAOYSA-N	0	0	508.575	3.489	50	0		KGAARN
O=C(CCCCn1c(=O)c2ccccc2n(CC(=O)Nc2ccccc2F)c1=O)NCc1cccs1	ZINC000035377715	554045620	/nfs/dbraw/zinc/04/56/20/554045620.db2.gz	PDBDQPARABWPQP-UHFFFAOYSA-N	0	0	508.575	3.489	50	0		KGAARN
O=C(CCCCn1c(=O)c2ccccc2n(CC(=O)Nc2cccc(F)c2)c1=O)NCc1cccs1	ZINC000035377722	554045562	/nfs/dbraw/zinc/04/55/62/554045562.db2.gz	WVMJJVCPOXNIIA-UHFFFAOYSA-N	0	0	508.575	3.489	50	0		KGAARN
CC(C)NC(=O)Cc1ccc(-n2c(=O)c3ccccc3n(CC(=O)NCc3ccccc3Cl)c2=O)cc1	ZINC000035377724	554045582	/nfs/dbraw/zinc/04/55/82/554045582.db2.gz	XJSHINTWYWDBCX-UHFFFAOYSA-N	0	0	519.001	3.189	50	0		KGAARN
CCOc1ccccc1NC(=O)Cn1c2ccccc2c(=O)n(-c2ccc(CC(=O)NC(C)C)cc2)c1=O	ZINC000035377730	554045491	/nfs/dbraw/zinc/04/54/91/554045491.db2.gz	XCIBSXHCMKGVTM-UHFFFAOYSA-N	0	0	514.582	3.257	50	0		KGAARN
CC(C)NC(=O)Cc1ccc(-n2c(=O)c3ccccc3n(CC(=O)NCc3ccc(Cl)cc3)c2=O)cc1	ZINC000035377735	554045612	/nfs/dbraw/zinc/04/56/12/554045612.db2.gz	ICTFPWIOEAMOSD-UHFFFAOYSA-N	0	0	519.001	3.189	50	0		KGAARN
CCOc1ccc(NC(=O)Cn2c3ccccc3c(=O)n(-c3ccc(CC(=O)NC(C)C)cc3)c2=O)cc1	ZINC000035377739	554045804	/nfs/dbraw/zinc/04/58/04/554045804.db2.gz	WEMAOWHOAPCVFA-UHFFFAOYSA-N	0	0	514.582	3.257	50	0		KGAARN
CNC(=O)Cc1ccc(-n2c(=O)c3ccccc3n(CC(=O)Nc3ccccc3C(F)(F)F)c2=O)cc1	ZINC000035377753	554045779	/nfs/dbraw/zinc/04/57/79/554045779.db2.gz	QUHZEQXOTSJPKT-UHFFFAOYSA-N	0	0	510.472	3.098	50	0		KGAARN
CCCNC(=O)Cc1ccc(-n2c(=O)c3ccccc3n(CC(=O)NCc3ccccc3Cl)c2=O)cc1	ZINC000035377785	554045859	/nfs/dbraw/zinc/04/58/59/554045859.db2.gz	HGRBTYOJHNUMKT-UHFFFAOYSA-N	0	0	519.001	3.191	50	0		KGAARN
CCCNC(=O)Cc1ccc(-n2c(=O)c3ccccc3n(CC(=O)Nc3ccccc3OCC)c2=O)cc1	ZINC000035377791	554045867	/nfs/dbraw/zinc/04/58/67/554045867.db2.gz	AIJGEKUWBAZCNJ-UHFFFAOYSA-N	0	0	514.582	3.259	50	0		KGAARN
CCCNC(=O)Cc1ccc(-n2c(=O)c3ccccc3n(CC(=O)Nc3cc(F)ccc3F)c2=O)cc1	ZINC000035377794	554045788	/nfs/dbraw/zinc/04/57/88/554045788.db2.gz	BQYHGFSQJJVGQD-UHFFFAOYSA-N	0	0	506.509	3.138	50	0		KGAARN
CCCNC(=O)Cc1ccc(-n2c(=O)c3ccccc3n(CC(=O)NCc3ccc(Cl)cc3)c2=O)cc1	ZINC000035377798	554045796	/nfs/dbraw/zinc/04/57/96/554045796.db2.gz	QACDXLAQHDJHQX-UHFFFAOYSA-N	0	0	519.001	3.191	50	0		KGAARN
CCCNC(=O)Cc1ccc(-n2c(=O)c3ccccc3n(CC(=O)Nc3ccc(OCC)cc3)c2=O)cc1	ZINC000035377800	554045837	/nfs/dbraw/zinc/04/58/37/554045837.db2.gz	WQOPEDUQKITDHX-UHFFFAOYSA-N	0	0	514.582	3.259	50	0		KGAARN
CCCCNC(=O)Cc1ccc(-n2c(=O)c3ccccc3n(CC(=O)Nc3cccc(OC)c3)c2=O)cc1	ZINC000035377801	554045845	/nfs/dbraw/zinc/04/58/45/554045845.db2.gz	BGGMKEQASGTSMB-UHFFFAOYSA-N	0	0	514.582	3.259	50	0		KGAARN
CCCCNC(=O)Cc1ccc(-n2c(=O)c3ccccc3n(CC(=O)Nc3ccccc3OC)c2=O)cc1	ZINC000035377802	554045878	/nfs/dbraw/zinc/04/58/78/554045878.db2.gz	ORXNZKAIDXRBJH-UHFFFAOYSA-N	0	0	514.582	3.259	50	0		KGAARN
CCCCNC(=O)Cc1ccc(-n2c(=O)c3ccccc3n(CC(=O)Nc3ccc(OC)cc3)c2=O)cc1	ZINC000035377803	554045820	/nfs/dbraw/zinc/04/58/20/554045820.db2.gz	CNVMXXVKYPLDEV-UHFFFAOYSA-N	0	0	514.582	3.259	50	0		KGAARN
O=C(Cc1ccc(-n2c(=O)c3ccccc3n(CC(=O)NC3CCCCC3)c2=O)cc1)NCc1ccco1	ZINC000035377805	554045850	/nfs/dbraw/zinc/04/58/50/554045850.db2.gz	VJPIFEDVKPSZSC-UHFFFAOYSA-N	0	0	514.582	3.053	50	0		KGAARN
O=C(Cc1ccc(-n2c(=O)c3ccccc3n(CC(=O)NCc3ccco3)c2=O)cc1)NC1CCCCC1	ZINC000035377807	554045799	/nfs/dbraw/zinc/04/57/99/554045799.db2.gz	JAXKEGLSBVATIS-UHFFFAOYSA-N	0	0	514.582	3.053	50	0		KGAARN
CCOc1ccccc1NC(=O)Cn1c2ccccc2c(=O)n(-c2ccc(CC(=O)NC3CC3)cc2)c1=O	ZINC000035377831	554046108	/nfs/dbraw/zinc/04/61/08/554046108.db2.gz	SWDSEJTZODPDLJ-UHFFFAOYSA-N	0	0	512.566	3.011	50	0		KGAARN
CCOc1ccc(NC(=O)Cn2c3ccccc3c(=O)n(-c3ccc(CC(=O)NC4CC4)cc3)c2=O)cc1	ZINC000035377841	554046093	/nfs/dbraw/zinc/04/60/93/554046093.db2.gz	FZYCTBHCXCJHHB-UHFFFAOYSA-N	0	0	512.566	3.011	50	0		KGAARN
O=C(Cn1c(=O)n(-c2ccc(CC(=O)N3CCCCCC3)cc2)c(=O)c2ccccc21)NCc1ccco1	ZINC000035377842	554046090	/nfs/dbraw/zinc/04/60/90/554046090.db2.gz	IHZNGUXCVOYFRE-UHFFFAOYSA-N	0	0	514.582	3.007	50	0		KGAARN
COc1cccc(NC(=O)Cn2c3ccccc3c(=O)n(-c3ccc(CC(=O)NCC(C)C)cc3)c2=O)c1	ZINC000035377843	554046055	/nfs/dbraw/zinc/04/60/55/554046055.db2.gz	GHAJURFXVYUSPJ-UHFFFAOYSA-N	0	0	514.582	3.114	50	0		KGAARN
COc1ccccc1NC(=O)Cn1c2ccccc2c(=O)n(-c2ccc(CC(=O)NCC(C)C)cc2)c1=O	ZINC000035377844	554046030	/nfs/dbraw/zinc/04/60/30/554046030.db2.gz	OBMOYNOPXICJCE-UHFFFAOYSA-N	0	0	514.582	3.114	50	0		KGAARN
COc1ccc(NC(=O)Cn2c3ccccc3c(=O)n(-c3ccc(CC(=O)NCC(C)C)cc3)c2=O)cc1	ZINC000035377845	554046058	/nfs/dbraw/zinc/04/60/58/554046058.db2.gz	BWWVDCXLPIOPDE-UHFFFAOYSA-N	0	0	514.582	3.114	50	0		KGAARN
CCS(=O)(=O)c1ccc(OCc2cc(=O)n3oc(C)cc3n2)c(NC(=O)COc2ccccc2C)c1	ZINC000035378699	554046105	/nfs/dbraw/zinc/04/61/05/554046105.db2.gz	ADFZAEOUWPOZJS-UHFFFAOYSA-N	0	0	511.556	3.294	50	0		KGAARN
CCS(=O)(=O)c1ccc(OCc2cc(=O)n3oc(C)cc3n2)c(NC(=O)COc2cccc(C)c2)c1	ZINC000035378700	554046102	/nfs/dbraw/zinc/04/61/02/554046102.db2.gz	MXAXRKVOXQZYGH-UHFFFAOYSA-N	0	0	511.556	3.294	50	0		KGAARN
CCS(=O)(=O)c1ccc(OCc2cc(=O)n3oc(C)cc3n2)c(NC(=O)COc2ccc(C)cc2)c1	ZINC000035378701	554046065	/nfs/dbraw/zinc/04/60/65/554046065.db2.gz	OBXPFTHSOVYAPD-UHFFFAOYSA-N	0	0	511.556	3.294	50	0		KGAARN
CCS(=O)(=O)c1ccc(OCc2cc(=O)n3oc(C)cc3n2)c(NC(=O)COc2ccccc2F)c1	ZINC000035378702	554046096	/nfs/dbraw/zinc/04/60/96/554046096.db2.gz	ZBVATWVJOOPGDI-UHFFFAOYSA-N	0	0	515.519	3.125	50	0		KGAARN
COc1cc(OC)c(NC(=O)[C@H]2CCCN(S(=O)(=O)c3cc4c(cc3C)NC(=O)CO4)C2)cc1Cl	ZINC000035378746	554046345	/nfs/dbraw/zinc/04/63/45/554046345.db2.gz	USCNFJRCMOFTNQ-AWEZNQCLSA-N	0	0	523.995	3.036	50	0		KGAARN
COc1cc(OC)c(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3cc4c(cc3C)NC(=O)CO4)C2)cc1Cl	ZINC000035378747	554046271	/nfs/dbraw/zinc/04/62/71/554046271.db2.gz	USCNFJRCMOFTNQ-CQSZACIVSA-N	0	0	523.995	3.036	50	0		KGAARN
Cc1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3cc4c(cc3C)NC(=O)CO4)C2)c(Br)c1	ZINC000035378836	554046366	/nfs/dbraw/zinc/04/63/66/554046366.db2.gz	UKGPJSURDQBUNR-OAHLLOKOSA-N	0	0	522.421	3.436	50	0		KGAARN
Cc1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3cc4c(cc3C)NC(=O)CO4)C2)c(Br)c1	ZINC000035378837	554046274	/nfs/dbraw/zinc/04/62/74/554046274.db2.gz	UKGPJSURDQBUNR-HNNXBMFYSA-N	0	0	522.421	3.436	50	0		KGAARN
Cc1cc2c(cc1S(=O)(=O)N1CCC[C@H](C(=O)N3CCC(Cc4ccccc4)CC3)C1)OCC(=O)N2	ZINC000035378860	554046310	/nfs/dbraw/zinc/04/63/10/554046310.db2.gz	QKLJWWXITQSBCX-QFIPXVFZSA-N	0	0	511.644	3.208	50	0		KGAARN
Cc1cc2c(cc1S(=O)(=O)N1CCC[C@@H](C(=O)N3CCC(Cc4ccccc4)CC3)C1)OCC(=O)N2	ZINC000035378861	554046359	/nfs/dbraw/zinc/04/63/59/554046359.db2.gz	QKLJWWXITQSBCX-JOCHJYFZSA-N	0	0	511.644	3.208	50	0		KGAARN
Cc1cc2c(cc1S(=O)(=O)N1CCC[C@H](C(=O)Nc3cccc(Br)c3)C1)OCC(=O)N2	ZINC000035378944	554046354	/nfs/dbraw/zinc/04/63/54/554046354.db2.gz	LVUNCDVIOGDBEC-AWEZNQCLSA-N	0	0	508.394	3.128	50	0		KGAARN
Cc1cc2c(cc1S(=O)(=O)N1CCC[C@@H](C(=O)Nc3cccc(Br)c3)C1)OCC(=O)N2	ZINC000035378945	554046294	/nfs/dbraw/zinc/04/62/94/554046294.db2.gz	LVUNCDVIOGDBEC-CQSZACIVSA-N	0	0	508.394	3.128	50	0		KGAARN
COc1cc(Cl)c(NC(=O)[C@H]2CCCN(S(=O)(=O)c3cc4c(cc3C)NC(=O)CO4)C2)c(OC)c1	ZINC000035378946	554046251	/nfs/dbraw/zinc/04/62/51/554046251.db2.gz	JPYNABUBJBGZPU-AWEZNQCLSA-N	0	0	523.995	3.036	50	0		KGAARN
COc1cc(Cl)c(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3cc4c(cc3C)NC(=O)CO4)C2)c(OC)c1	ZINC000035378947	554046278	/nfs/dbraw/zinc/04/62/78/554046278.db2.gz	JPYNABUBJBGZPU-CQSZACIVSA-N	0	0	523.995	3.036	50	0		KGAARN
Cc1cc2c(cc1S(=O)(=O)N1CCC[C@H](C(=O)N(Cc3ccco3)C3CCCC3)C1)OCC(=O)N2	ZINC000035378974	554046516	/nfs/dbraw/zinc/04/65/16/554046516.db2.gz	MVAVXIWEEOJEQS-SFHVURJKSA-N	0	0	501.605	3.291	50	0		KGAARN
Cc1cc2c(cc1S(=O)(=O)N1CCC[C@@H](C(=O)N(Cc3ccco3)C3CCCC3)C1)OCC(=O)N2	ZINC000035378975	554046627	/nfs/dbraw/zinc/04/66/27/554046627.db2.gz	MVAVXIWEEOJEQS-GOSISDBHSA-N	0	0	501.605	3.291	50	0		KGAARN
Cc1cc2c(cc1S(=O)(=O)N1CCC[C@H](C(=O)N3CC=C(c4ccccc4)CC3)C1)O[C@H](C)C(=O)N2	ZINC000035379138	554046978	/nfs/dbraw/zinc/04/69/78/554046978.db2.gz	PRZFKENQGKOWJB-KNQAVFIVSA-N	0	0	509.628	3.431	50	0		KGAARN
Cc1cc2c(cc1S(=O)(=O)N1CCC[C@@H](C(=O)N3CC=C(c4ccccc4)CC3)C1)O[C@H](C)C(=O)N2	ZINC000035379139	554047003	/nfs/dbraw/zinc/04/70/03/554047003.db2.gz	PRZFKENQGKOWJB-DENIHFKCSA-N	0	0	509.628	3.431	50	0		KGAARN
COc1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3cc4c(cc3C)NC(=O)[C@@H](C)O4)C2)cc1Cl	ZINC000035379178	554046806	/nfs/dbraw/zinc/04/68/06/554046806.db2.gz	IQIXSDCDROTEDY-CABCVRRESA-N	0	0	507.996	3.416	50	0		KGAARN
COc1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3cc4c(cc3C)NC(=O)[C@@H](C)O4)C2)cc1Cl	ZINC000035379179	554046842	/nfs/dbraw/zinc/04/68/42/554046842.db2.gz	IQIXSDCDROTEDY-HUUCEWRRSA-N	0	0	507.996	3.416	50	0		KGAARN
CCN(C(=O)[C@@H]1CCCN(S(=O)(=O)c2cc3c(cc2C)NC(=O)[C@H](C)O3)C1)c1ccc(OC)cc1	ZINC000035379220	554047006	/nfs/dbraw/zinc/04/70/06/554047006.db2.gz	QPOMKCGAPKNYCI-ZWKOTPCHSA-N	0	0	501.605	3.177	50	0		KGAARN
CCN(C(=O)[C@H]1CCCN(S(=O)(=O)c2cc3c(cc2C)NC(=O)[C@H](C)O3)C1)c1ccc(OC)cc1	ZINC000035379221	554046989	/nfs/dbraw/zinc/04/69/89/554046989.db2.gz	QPOMKCGAPKNYCI-ROUUACIJSA-N	0	0	501.605	3.177	50	0		KGAARN
Cc1cc2c(cc1S(=O)(=O)N1CCC[C@H](C(=O)NCc3ccc(OC(C)C)cc3)C1)O[C@H](C)C(=O)N2	ZINC000035379226	554046930	/nfs/dbraw/zinc/04/69/30/554046930.db2.gz	VUMBSIJMUSGBJI-QUCCMNQESA-N	0	0	515.632	3.219	50	0		KGAARN
Cc1cc2c(cc1S(=O)(=O)N1CCC[C@@H](C(=O)NCc3ccc(OC(C)C)cc3)C1)O[C@H](C)C(=O)N2	ZINC000035379227	554046912	/nfs/dbraw/zinc/04/69/12/554046912.db2.gz	VUMBSIJMUSGBJI-UYAOXDASSA-N	0	0	515.632	3.219	50	0		KGAARN
COc1cc(NC(=O)Cn2c(C)cc(C)c(S(=O)(=O)c3ccc(C)cc3)c2=O)cc(OC)c1OC	ZINC000035396723	554047506	/nfs/dbraw/zinc/04/75/06/554047506.db2.gz	HYECLHSFWDQZHH-UHFFFAOYSA-N	0	0	500.573	3.271	50	0		KGAARN
COc1cccc(CNC(=O)Cn2c(C)cc(C)c(S(=O)(=O)c3ccc(Cl)cc3)c2=O)c1OC	ZINC000035396781	554047540	/nfs/dbraw/zinc/04/75/40/554047540.db2.gz	VKGODGQXNKGAFV-UHFFFAOYSA-N	0	0	504.992	3.285	50	0		KGAARN
CCOc1ccc(NC(=O)Cn2c(C)cc(C)c(S(=O)(=O)c3ccc(OC)c(OC)c3)c2=O)cc1	ZINC000035396804	554047568	/nfs/dbraw/zinc/04/75/68/554047568.db2.gz	LFFQHUATSQKFET-UHFFFAOYSA-N	0	0	500.573	3.353	50	0		KGAARN
COc1ccc(C)cc1NC(=O)Cn1c(C)cc(C)c(S(=O)(=O)c2ccc(OC)c(OC)c2)c1=O	ZINC000035396807	554047548	/nfs/dbraw/zinc/04/75/48/554047548.db2.gz	YHTCZVPIOCIQBT-UHFFFAOYSA-N	0	0	500.573	3.271	50	0		KGAARN
COc1ccc(S(=O)(=O)c2c(C)cc(C)n(CC(=O)NCc3ccccc3Cl)c2=O)cc1OC	ZINC000035396817	554047545	/nfs/dbraw/zinc/04/75/45/554047545.db2.gz	PVYRYZVWABCFCJ-UHFFFAOYSA-N	0	0	504.992	3.285	50	0		KGAARN
Cc1cc(C)n(CC(=O)NCCc2ccccc2)c(=O)c1S(=O)(=O)c1ccc(Br)cc1	ZINC000035396835	554047542	/nfs/dbraw/zinc/04/75/42/554047542.db2.gz	QCZWTODJGCSPBW-UHFFFAOYSA-N	0	0	503.418	3.419	50	0		KGAARN
CC(=O)c1ccc(NC(=O)C2CCN(S(=O)(=O)c3c(C)[nH]c(C)c3C(=O)N3CCCCC3)CC2)cc1	ZINC000035404719	554048633	/nfs/dbraw/zinc/04/86/33/554048633.db2.gz	SMFKKJIKSPWQMO-UHFFFAOYSA-N	0	0	514.648	3.500	50	0		KGAARN
Cc1[nH]c(C)c(S(=O)(=O)N2CCC(C(=O)Nc3ccc(Cl)cn3)CC2)c1C(=O)N1CCCCC1	ZINC000035404723	554048668	/nfs/dbraw/zinc/04/86/68/554048668.db2.gz	GOOQLQYOFOVGRP-UHFFFAOYSA-N	0	0	508.044	3.345	50	0		KGAARN
COc1cccc(NC(=O)C2CCN(S(=O)(=O)c3c(C)[nH]c(C)c3C(=O)N3CCCCC3)CC2)c1	ZINC000035404734	554048815	/nfs/dbraw/zinc/04/88/15/554048815.db2.gz	KDIGIMXERASFGT-UHFFFAOYSA-N	0	0	502.637	3.306	50	0		KGAARN
COc1ccc(NC(=O)C2CCN(S(=O)(=O)c3c(C)[nH]c(C)c3C(=O)N3CCCCC3)CC2)cc1	ZINC000035404738	554048853	/nfs/dbraw/zinc/04/88/53/554048853.db2.gz	UQAHHAJEVVFEJQ-UHFFFAOYSA-N	0	0	502.637	3.306	50	0		KGAARN
Cc1[nH]c(C)c(S(=O)(=O)N2CCC(C(=O)N(C)Cc3ccccc3)CC2)c1C(=O)N1CCCCC1	ZINC000035404743	554048823	/nfs/dbraw/zinc/04/88/23/554048823.db2.gz	PALOADCIWHNRID-UHFFFAOYSA-N	0	0	500.665	3.317	50	0		KGAARN
Cc1[nH]c(C)c(S(=O)(=O)N2CCC(C(=O)N3CCc4ccccc4C3)CC2)c1C(=O)N1CCCCC1	ZINC000035404824	554048842	/nfs/dbraw/zinc/04/88/42/554048842.db2.gz	MTQAIPUBHIHION-UHFFFAOYSA-N	0	0	512.676	3.243	50	0		KGAARN
CC(=O)c1cccc(NC(=O)C2CCN(S(=O)(=O)c3c(C)[nH]c(C)c3C(=O)N3CCCCC3)CC2)c1	ZINC000035404868	554048838	/nfs/dbraw/zinc/04/88/38/554048838.db2.gz	LYUJTHLAAFFUOO-UHFFFAOYSA-N	0	0	514.648	3.500	50	0		KGAARN
Cc1[nH]c(C)c(S(=O)(=O)N2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)c1C(=O)N1CCCCC1	ZINC000035404883	554048868	/nfs/dbraw/zinc/04/88/68/554048868.db2.gz	UJBVAGLAICMHGJ-UHFFFAOYSA-N	0	0	516.620	3.026	50	0		KGAARN
Cc1[nH]c(C)c(S(=O)(=O)N2CCC(C(=O)NCc3ccc(F)cc3)CC2)c1C(=O)N1CCCCC1	ZINC000035404889	554048830	/nfs/dbraw/zinc/04/88/30/554048830.db2.gz	ZLSUKPMDUCHFPO-UHFFFAOYSA-N	0	0	504.628	3.114	50	0		KGAARN
COc1ccccc1NC(=O)C1CCN(S(=O)(=O)c2c(C)[nH]c(C)c2C(=O)N2CCCCC2)CC1	ZINC000035404941	554049109	/nfs/dbraw/zinc/04/91/09/554049109.db2.gz	OICDEMDZZTZGMR-UHFFFAOYSA-N	0	0	502.637	3.306	50	0		KGAARN
Cc1[nH]c(C)c(S(=O)(=O)N2CCC(C(=O)NCc3ccccc3C)CC2)c1C(=O)N1CCCCC1	ZINC000035404949	554049069	/nfs/dbraw/zinc/04/90/69/554049069.db2.gz	TUWWTBWZEFJHOZ-UHFFFAOYSA-N	0	0	500.665	3.283	50	0		KGAARN
Cc1[nH]c(C)c(S(=O)(=O)N2CCC(C(=O)NCc3cccc(C)c3)CC2)c1C(=O)N1CCCCC1	ZINC000035404953	554049143	/nfs/dbraw/zinc/04/91/43/554049143.db2.gz	APJZMJIKNSKBNQ-UHFFFAOYSA-N	0	0	500.665	3.283	50	0		KGAARN
O=C(c1ccc([N-]S(=O)(=O)c2cccs2)cc1)N1CCN(S(=O)(=O)/C=C\c2ccccc2)CC1	ZINC000035419257	554049697	/nfs/dbraw/zinc/04/96/97/554049697.db2.gz	SGJWMJCTHJGMKR-PDGQHHTCSA-N	0	0	517.654	3.307	50	0		KGAARN
O=C(c1ccc([N-]S(=O)(=O)c2cccs2)cc1)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1	ZINC000035419258	554049648	/nfs/dbraw/zinc/04/96/48/554049648.db2.gz	SGJWMJCTHJGMKR-LDADJPATSA-N	0	0	517.654	3.307	50	0		KGAARN
COCCN(CC(=O)Nc1nc(CC(=O)N2CCc3ccccc3C2)cs1)C(=O)c1ccc(F)cc1	ZINC000035419837	554049720	/nfs/dbraw/zinc/04/97/20/554049720.db2.gz	FQJQFUPPDPFJED-UHFFFAOYSA-N	0	0	510.591	3.137	50	0		KGAARN
O=C(Nc1ccc2c(c1)OCO2)C1CCN(S(=O)(=O)c2cc(C(=O)N3CCCCC3)cs2)CC1	ZINC000035424426	554050352	/nfs/dbraw/zinc/05/03/52/554050352.db2.gz	JVPKBKDQMXQQBH-UHFFFAOYSA-N	0	0	505.618	3.142	50	0		KGAARN
O=C(Nc1ccc2c(c1)OCCO2)C1CCN(S(=O)(=O)c2cc(C(=O)N3CCCCC3)cs2)CC1	ZINC000035424440	554050374	/nfs/dbraw/zinc/05/03/74/554050374.db2.gz	UJUWYHACASLURS-UHFFFAOYSA-N	0	0	519.645	3.185	50	0		KGAARN
CC1CCN(C(=O)c2csc(S(=O)(=O)N3CCC(C(=O)Nc4ccc5c(c4)OCO5)CC3)c2)CC1	ZINC000035424596	554050400	/nfs/dbraw/zinc/05/04/00/554050400.db2.gz	RAZATMSFPGBWNC-UHFFFAOYSA-N	0	0	519.645	3.388	50	0		KGAARN
CNC(=O)c1ccc(Cn2c(=O)c3cc(OC)c(OC)cc3n(Cc3c(F)cccc3Cl)c2=O)cc1	ZINC000035427834	554052589	/nfs/dbraw/zinc/05/25/89/554052589.db2.gz	OFKPPFBYZYYKGV-UHFFFAOYSA-N	0	0	511.937	3.429	50	0		KGAARN
CCCNC(=O)c1ccc(Cn2c(=O)c3cc(OC)c(OC)cc3n(Cc3cccc(OC)c3)c2=O)cc1	ZINC000035427890	554052831	/nfs/dbraw/zinc/05/28/31/554052831.db2.gz	RDLIZDKZUQWCPN-UHFFFAOYSA-N	0	0	517.582	3.425	50	0	biogenic	KGAARN
COc1cccc(Cn2c3cc(OC)c(OC)cc3c(=O)n(Cc3ccc(C(=O)NC(C)C)cc3)c2=O)c1	ZINC000035427968	554053070	/nfs/dbraw/zinc/05/30/70/554053070.db2.gz	HJPIXDUUAKCUQU-UHFFFAOYSA-N	0	0	517.582	3.424	50	0		KGAARN
COCCCNC(=O)c1ccc(Cn2c(=O)c3cc(OC)c(OC)cc3n(Cc3ccccc3C)c2=O)cc1	ZINC000035427978	554052998	/nfs/dbraw/zinc/05/29/98/554052998.db2.gz	DDOGVRVSBGGJGI-UHFFFAOYSA-N	0	0	531.609	3.352	50	0		KGAARN
COCCCNC(=O)c1ccc(Cn2c(=O)c3cc(OC)c(OC)cc3n(Cc3ccc(C)cc3)c2=O)cc1	ZINC000035427980	554053053	/nfs/dbraw/zinc/05/30/53/554053053.db2.gz	JUXQUCXLFIGEQY-UHFFFAOYSA-N	0	0	531.609	3.352	50	0		KGAARN
COCCCNC(=O)c1ccc(Cn2c(=O)c3cc(OC)c(OC)cc3n(Cc3cccc(C)c3)c2=O)cc1	ZINC000035427982	554052978	/nfs/dbraw/zinc/05/29/78/554052978.db2.gz	RXEUZWFSQXCHPG-UHFFFAOYSA-N	0	0	531.609	3.352	50	0		KGAARN
COCCCNC(=O)c1ccc(Cn2c(=O)c3cc(OC)c(OC)cc3n(Cc3ccccc3)c2=O)cc1	ZINC000035427984	554053019	/nfs/dbraw/zinc/05/30/19/554053019.db2.gz	OPNGTEALNBUNPM-UHFFFAOYSA-N	0	0	517.582	3.043	50	0		KGAARN
COc1cc2c(cc1OC)n(Cc1ccccc1C)c(=O)n(Cc1ccc(C(=O)N3CCOCC3)cc1)c2=O	ZINC000035427988	554053067	/nfs/dbraw/zinc/05/30/67/554053067.db2.gz	FKVNDVJMEDWDRX-UHFFFAOYSA-N	0	0	529.593	3.058	50	0		KGAARN
COc1cc2c(cc1OC)n(Cc1ccccc1F)c(=O)n(Cc1ccc(C(=O)NC3CC3)cc1)c2=O	ZINC000035428002	554053034	/nfs/dbraw/zinc/05/30/34/554053034.db2.gz	BJLQPYDBCQBIBK-UHFFFAOYSA-N	0	0	503.530	3.308	50	0		KGAARN
COc1cc2c(cc1OC)n(Cc1cccc(F)c1)c(=O)n(Cc1ccc(C(=O)NC3CC3)cc1)c2=O	ZINC000035428004	554052996	/nfs/dbraw/zinc/05/29/96/554052996.db2.gz	BKTIUFBXKINTCG-UHFFFAOYSA-N	0	0	503.530	3.308	50	0		KGAARN
COc1cc2c(cc1OC)n(Cc1ccc(F)cc1)c(=O)n(Cc1ccc(C(=O)NC3CC3)cc1)c2=O	ZINC000035428011	554052985	/nfs/dbraw/zinc/05/29/85/554052985.db2.gz	YTNZSJSCMQOQCM-UHFFFAOYSA-N	0	0	503.530	3.308	50	0		KGAARN
COCCNC(=O)c1ccc(Cn2c(=O)c3cc(OC)c(OC)cc3n(Cc3cc(C)ccc3C)c2=O)cc1	ZINC000035428066	554053277	/nfs/dbraw/zinc/05/32/77/554053277.db2.gz	SRPOHQCDJHZXGR-UHFFFAOYSA-N	0	0	531.609	3.270	50	0		KGAARN
O=C(CN1c2cc(C(=O)N3CCCCC3)ccc2N2CCCC[C@@H]2C1=O)Nc1ccc2c(c1)OCCO2	ZINC000035428595	554053248	/nfs/dbraw/zinc/05/32/48/554053248.db2.gz	AVMDNFWNVJNILL-JOCHJYFZSA-N	0	0	504.587	3.428	50	0		KGAARN
O=C(CN1c2cc(C(=O)N3CCCCC3)ccc2N2CCCC[C@H]2C1=O)Nc1ccc2c(c1)OCCO2	ZINC000035428598	554053280	/nfs/dbraw/zinc/05/32/80/554053280.db2.gz	AVMDNFWNVJNILL-QFIPXVFZSA-N	0	0	504.587	3.428	50	0		KGAARN
Cc1ccc(NC(=O)CN2c3cc(S(=O)(=O)N4CCOCC4)ccc3SC[C@H](C)C2=O)cc1C	ZINC000035431595	554053428	/nfs/dbraw/zinc/05/34/28/554053428.db2.gz	WHPGDKDBFJGPMM-SFHVURJKSA-N	0	0	503.646	3.038	50	0		KGAARN
Cc1ccc(NC(=O)CN2c3cc(S(=O)(=O)N4CCOCC4)ccc3SC[C@@H](C)C2=O)cc1C	ZINC000035431597	554053523	/nfs/dbraw/zinc/05/35/23/554053523.db2.gz	WHPGDKDBFJGPMM-GOSISDBHSA-N	0	0	503.646	3.038	50	0		KGAARN
C[C@@H]1CSc2ccc(S(=O)(=O)N3CCOCC3)cc2N(CC(=O)Nc2ccccc2Cl)C1=O	ZINC000035431620	554053462	/nfs/dbraw/zinc/05/34/62/554053462.db2.gz	YKQBNNLMVWHDBO-OAHLLOKOSA-N	0	0	510.037	3.074	50	0		KGAARN
C[C@H]1CSc2ccc(S(=O)(=O)N3CCOCC3)cc2N(CC(=O)Nc2ccccc2Cl)C1=O	ZINC000035431623	554053470	/nfs/dbraw/zinc/05/34/70/554053470.db2.gz	YKQBNNLMVWHDBO-HNNXBMFYSA-N	0	0	510.037	3.074	50	0		KGAARN
C[C@@H]1CSc2ccc(S(=O)(=O)N3CCOCC3)cc2N(CC(=O)Nc2cccc(Cl)c2)C1=O	ZINC000035431667	554053528	/nfs/dbraw/zinc/05/35/28/554053528.db2.gz	XIEKROSPJIJYFW-OAHLLOKOSA-N	0	0	510.037	3.074	50	0		KGAARN
C[C@H]1CSc2ccc(S(=O)(=O)N3CCOCC3)cc2N(CC(=O)Nc2cccc(Cl)c2)C1=O	ZINC000035431670	554053498	/nfs/dbraw/zinc/05/34/98/554053498.db2.gz	XIEKROSPJIJYFW-HNNXBMFYSA-N	0	0	510.037	3.074	50	0		KGAARN
Cc1cccc(C)c1NC(=O)CN1c2cc(S(=O)(=O)N3CCOCC3)ccc2SC[C@H](C)C1=O	ZINC000035431705	554053758	/nfs/dbraw/zinc/05/37/58/554053758.db2.gz	GLSKCBLLHROQIP-SFHVURJKSA-N	0	0	503.646	3.038	50	0		KGAARN
Cc1cccc(C)c1NC(=O)CN1c2cc(S(=O)(=O)N3CCOCC3)ccc2SC[C@@H](C)C1=O	ZINC000035431707	554053772	/nfs/dbraw/zinc/05/37/72/554053772.db2.gz	GLSKCBLLHROQIP-GOSISDBHSA-N	0	0	503.646	3.038	50	0		KGAARN
Cc1cc(C)c(NC(=O)CN2c3cc(S(=O)(=O)N4CCOCC4)ccc3SC[C@H](C)C2=O)c(C)c1	ZINC000035431717	554053776	/nfs/dbraw/zinc/05/37/76/554053776.db2.gz	BDBUTORQAQUWKN-IBGZPJMESA-N	0	0	517.673	3.346	50	0		KGAARN
Cc1cc(C)c(NC(=O)CN2c3cc(S(=O)(=O)N4CCOCC4)ccc3SC[C@@H](C)C2=O)c(C)c1	ZINC000035431719	554053760	/nfs/dbraw/zinc/05/37/60/554053760.db2.gz	BDBUTORQAQUWKN-LJQANCHMSA-N	0	0	517.673	3.346	50	0		KGAARN
C[C@@H]1CSc2ccc(S(=O)(=O)N3CCOCC3)cc2N(CC(=O)Nc2ccc(Cl)cc2)C1=O	ZINC000035431722	554053798	/nfs/dbraw/zinc/05/37/98/554053798.db2.gz	TYUMBXLXTMNPPQ-OAHLLOKOSA-N	0	0	510.037	3.074	50	0		KGAARN
C[C@H]1CSc2ccc(S(=O)(=O)N3CCOCC3)cc2N(CC(=O)Nc2ccc(Cl)cc2)C1=O	ZINC000035431724	554053774	/nfs/dbraw/zinc/05/37/74/554053774.db2.gz	TYUMBXLXTMNPPQ-HNNXBMFYSA-N	0	0	510.037	3.074	50	0		KGAARN
CCc1cccc(C)c1NC(=O)CN1c2cc(S(=O)(=O)N3CCOCC3)ccc2SC[C@H](C)C1=O	ZINC000035431727	554053756	/nfs/dbraw/zinc/05/37/56/554053756.db2.gz	BRXAOULAKWQTQS-SFHVURJKSA-N	0	0	517.673	3.292	50	0		KGAARN
CCc1cccc(C)c1NC(=O)CN1c2cc(S(=O)(=O)N3CCOCC3)ccc2SC[C@@H](C)C1=O	ZINC000035431729	554053794	/nfs/dbraw/zinc/05/37/94/554053794.db2.gz	BRXAOULAKWQTQS-GOSISDBHSA-N	0	0	517.673	3.292	50	0		KGAARN
Cc1cccc(NC(=O)CN2c3cc(S(=O)(=O)N4CCOCC4)ccc3SC[C@H](C)C2=O)c1C	ZINC000035431736	554053792	/nfs/dbraw/zinc/05/37/92/554053792.db2.gz	HLGHYKARXKPGCA-KRWDZBQOSA-N	0	0	503.646	3.038	50	0		KGAARN
Cc1cccc(NC(=O)CN2c3cc(S(=O)(=O)N4CCOCC4)ccc3SC[C@@H](C)C2=O)c1C	ZINC000035431740	554053770	/nfs/dbraw/zinc/05/37/70/554053770.db2.gz	HLGHYKARXKPGCA-QGZVFWFLSA-N	0	0	503.646	3.038	50	0		KGAARN
CC(=O)N1CCc2c(sc3nc(SCC(=O)NCc4ccco4)n(Cc4ccccc4)c(=O)c32)C1	ZINC000035432111	554054470	/nfs/dbraw/zinc/05/44/70/554054470.db2.gz	OQLLJWSQRXVKJX-UHFFFAOYSA-N	0	0	508.625	3.412	50	0		KGAARN
CC(=O)N1CCc2c(sc3nc(SCC(=O)NCc4ccccc4)n(Cc4ccco4)c(=O)c32)C1	ZINC000035432156	554054376	/nfs/dbraw/zinc/05/43/76/554054376.db2.gz	HIAXXOWGMCOVKZ-UHFFFAOYSA-N	0	0	508.625	3.412	50	0		KGAARN
CC(=O)N1CCc2c(sc3nc(SCC(=O)NCCc4ccccc4)n(Cc4ccco4)c(=O)c32)C1	ZINC000035432165	554054485	/nfs/dbraw/zinc/05/44/85/554054485.db2.gz	PNXSZYPRYHCKBY-UHFFFAOYSA-N	0	0	522.652	3.455	50	0		KGAARN
CC(=O)N1CCc2c(sc3nc(SCC(=O)N4CCCCCC4)n(Cc4ccco4)c(=O)c23)C1	ZINC000035432186	554054383	/nfs/dbraw/zinc/05/43/83/554054383.db2.gz	YSPIXHIISXOQHZ-UHFFFAOYSA-N	0	0	500.646	3.499	50	0		KGAARN
CC(=O)N1CCc2c(sc3nc(SCC(=O)Nc4ccc(F)cc4)n(C[C@@H]4CCCO4)c(=O)c32)C1	ZINC000035432243	554054698	/nfs/dbraw/zinc/05/46/98/554054698.db2.gz	CWLKWAUBMVCKNZ-KRWDZBQOSA-N	0	0	516.620	3.412	50	0		KGAARN
CC(=O)N1CCc2c(sc3nc(SCC(=O)Nc4ccc(F)cc4)n(C[C@H]4CCCO4)c(=O)c32)C1	ZINC000035432245	554054683	/nfs/dbraw/zinc/05/46/83/554054683.db2.gz	CWLKWAUBMVCKNZ-QGZVFWFLSA-N	0	0	516.620	3.412	50	0		KGAARN
CC(=O)N1CCc2c(sc3nc(SCC(=O)Nc4ccccc4F)n(C[C@@H]4CCCO4)c(=O)c32)C1	ZINC000035432258	554054717	/nfs/dbraw/zinc/05/47/17/554054717.db2.gz	NTKIGTVFJKSNQF-HNNXBMFYSA-N	0	0	516.620	3.412	50	0		KGAARN
CC(=O)N1CCc2c(sc3nc(SCC(=O)Nc4ccccc4F)n(C[C@H]4CCCO4)c(=O)c32)C1	ZINC000035432260	554054718	/nfs/dbraw/zinc/05/47/18/554054718.db2.gz	NTKIGTVFJKSNQF-OAHLLOKOSA-N	0	0	516.620	3.412	50	0		KGAARN
COc1ccc(NC(=O)CN2c3cc(S(=O)(=O)N4CCCCC4)ccc3N3CCCC[C@@H]3C2=O)cc1	ZINC000035445413	554054893	/nfs/dbraw/zinc/05/48/93/554054893.db2.gz	BNQWPSOESGUWOL-HSZRJFAPSA-N	0	0	512.632	3.214	50	0		KGAARN
COc1ccc(NC(=O)CN2c3cc(S(=O)(=O)N4CCCCC4)ccc3N3CCCC[C@H]3C2=O)cc1	ZINC000035445415	554054929	/nfs/dbraw/zinc/05/49/29/554054929.db2.gz	BNQWPSOESGUWOL-QHCPKHFHSA-N	0	0	512.632	3.214	50	0		KGAARN
O=C(CN1c2cc(S(=O)(=O)N3CCCCC3)ccc2N2CCCC[C@@H]2C1=O)NC1CCCCCC1	ZINC000035445436	554054885	/nfs/dbraw/zinc/05/48/85/554054885.db2.gz	TZBUNUSQEPKHNF-HSZRJFAPSA-N	0	0	502.681	3.406	50	0		KGAARN
O=C(CN1c2cc(S(=O)(=O)N3CCCCC3)ccc2N2CCCC[C@H]2C1=O)NC1CCCCCC1	ZINC000035445438	554054994	/nfs/dbraw/zinc/05/49/94/554054994.db2.gz	TZBUNUSQEPKHNF-QHCPKHFHSA-N	0	0	502.681	3.406	50	0		KGAARN
O=C(CN1C(=O)[C@H]2CCCCN2c2ccc(S(=O)(=O)N3CCCCC3)cc21)Nc1ccc(F)cc1	ZINC000035445450	554054966	/nfs/dbraw/zinc/05/49/66/554054966.db2.gz	AFLQPEJTEAKCCB-JOCHJYFZSA-N	0	0	500.596	3.345	50	0		KGAARN
O=C(CN1C(=O)[C@@H]2CCCCN2c2ccc(S(=O)(=O)N3CCCCC3)cc21)Nc1ccc(F)cc1	ZINC000035445452	554054920	/nfs/dbraw/zinc/05/49/20/554054920.db2.gz	AFLQPEJTEAKCCB-QFIPXVFZSA-N	0	0	500.596	3.345	50	0		KGAARN
O=C(CN1C(=O)[C@H]2CCCCN2c2ccc(S(=O)(=O)N3CCCCC3)cc21)NCc1ccc(F)cc1	ZINC000035445468	554054963	/nfs/dbraw/zinc/05/49/63/554054963.db2.gz	HYEGSUWBVODYMT-HSZRJFAPSA-N	0	0	514.623	3.022	50	0		KGAARN
O=C(CN1C(=O)[C@@H]2CCCCN2c2ccc(S(=O)(=O)N3CCCCC3)cc21)NCc1ccc(F)cc1	ZINC000035445470	554054891	/nfs/dbraw/zinc/05/48/91/554054891.db2.gz	HYEGSUWBVODYMT-QHCPKHFHSA-N	0	0	514.623	3.022	50	0		KGAARN
COc1ccc(NC(=O)N2CCN(Cc3cc(=O)n4nc(-c5ccccc5)sc4n3)CC2)c(OC)c1	ZINC000035447027	554055229	/nfs/dbraw/zinc/05/52/29/554055229.db2.gz	HEYJNAROTXDCDU-UHFFFAOYSA-N	0	0	506.588	3.185	50	0		KGAARN
COc1ccc(NC(=O)N2CCN(Cc3cc(=O)n4nc(-c5ccccc5C)sc4n3)CC2)c(OC)c1	ZINC000035447041	554055222	/nfs/dbraw/zinc/05/52/22/554055222.db2.gz	OZOWDYFURBUJRB-UHFFFAOYSA-N	0	0	520.615	3.493	50	0		KGAARN
Cc1ccccc1-c1nn2c(nc(CN3CCN(C(=O)Nc4ccc5c(c4)OCCO5)CC3)cc2=O)s1	ZINC000035447045	554055245	/nfs/dbraw/zinc/05/52/45/554055245.db2.gz	XZSZPOBHHDTUAO-UHFFFAOYSA-N	0	0	518.599	3.247	50	0		KGAARN
COc1ccc(NC(=O)N2CCN(Cc3cc(=O)n4nc(-c5ccc(C)cc5)sc4n3)CC2)cc1OC	ZINC000035447052	554055248	/nfs/dbraw/zinc/05/52/48/554055248.db2.gz	JOEIFVFIMDFLJU-UHFFFAOYSA-N	0	0	520.615	3.493	50	0		KGAARN
COc1ccc(NC(=O)N2CCN(Cc3cc(=O)n4nc(-c5ccc(C)cc5)sc4n3)CC2)c(OC)c1	ZINC000035447056	554055267	/nfs/dbraw/zinc/05/52/67/554055267.db2.gz	XKXZAUASLYGBCV-UHFFFAOYSA-N	0	0	520.615	3.493	50	0		KGAARN
Cc1ccc(-c2nn3c(nc(CN4CCN(C(=O)Nc5ccc6c(c5)OCCO6)CC4)cc3=O)s2)cc1	ZINC000035447060	554055253	/nfs/dbraw/zinc/05/52/53/554055253.db2.gz	PLCGNGAMDPQNFD-UHFFFAOYSA-N	0	0	518.599	3.247	50	0		KGAARN
COc1ccc(NC(=O)N2CCN(Cc3cc(=O)n4nc(-c5ccccc5F)sc4n3)CC2)cc1OC	ZINC000035447094	554055218	/nfs/dbraw/zinc/05/52/18/554055218.db2.gz	KGDSCCNOIVOWMH-UHFFFAOYSA-N	0	0	524.578	3.324	50	0		KGAARN
COc1ccc(NC(=O)N2CCN(Cc3cc(=O)n4nc(-c5ccccc5F)sc4n3)CC2)c(OC)c1	ZINC000035447099	554055236	/nfs/dbraw/zinc/05/52/36/554055236.db2.gz	VTMZZBYFMRWMJD-UHFFFAOYSA-N	0	0	524.578	3.324	50	0		KGAARN
O=C(Nc1ccc2c(c1)OCCO2)N1CCN(Cc2cc(=O)n3nc(-c4ccccc4F)sc3n2)CC1	ZINC000035447104	554055241	/nfs/dbraw/zinc/05/52/41/554055241.db2.gz	NFJNCBFAUSEDCE-UHFFFAOYSA-N	0	0	522.562	3.078	50	0		KGAARN
COc1ccc(NC(=O)N2CCN(Cc3cc(=O)n4nc(-c5cccc(F)c5)sc4n3)CC2)cc1OC	ZINC000035447110	554055502	/nfs/dbraw/zinc/05/55/02/554055502.db2.gz	BQFFWLYFLGEOJI-UHFFFAOYSA-N	0	0	524.578	3.324	50	0		KGAARN
COc1ccc(OC)c(NC(=O)N2CCN(Cc3cc(=O)n4nc(-c5cccc(F)c5)sc4n3)CC2)c1	ZINC000035447112	554055542	/nfs/dbraw/zinc/05/55/42/554055542.db2.gz	HGYAXOZAVSMAQN-UHFFFAOYSA-N	0	0	524.578	3.324	50	0		KGAARN
O=C(Nc1ccc2c(c1)OCCO2)N1CCN(Cc2cc(=O)n3nc(-c4cccc(F)c4)sc3n2)CC1	ZINC000035447119	554055517	/nfs/dbraw/zinc/05/55/17/554055517.db2.gz	RMYJWMBYDQULOA-UHFFFAOYSA-N	0	0	522.562	3.078	50	0		KGAARN
COc1ccc(NC(=O)N2CCN(Cc3cc(=O)n4nc(-c5ccc(F)cc5)sc4n3)CC2)cc1OC	ZINC000035447125	554055478	/nfs/dbraw/zinc/05/54/78/554055478.db2.gz	BBAFIXYHXWAEEU-UHFFFAOYSA-N	0	0	524.578	3.324	50	0		KGAARN
COc1ccc(NC(=O)N2CCN(Cc3cc(=O)n4nc(-c5ccc(F)cc5)sc4n3)CC2)c(OC)c1	ZINC000035447132	554055552	/nfs/dbraw/zinc/05/55/52/554055552.db2.gz	LWDKOCINPLWBJF-UHFFFAOYSA-N	0	0	524.578	3.324	50	0		KGAARN
O=C(Nc1ccc2c(c1)OCCO2)N1CCN(Cc2cc(=O)n3nc(-c4ccc(F)cc4)sc3n2)CC1	ZINC000035447137	554055545	/nfs/dbraw/zinc/05/55/45/554055545.db2.gz	JQRFOIKCSKIZCB-UHFFFAOYSA-N	0	0	522.562	3.078	50	0		KGAARN
COc1ccccc1NC(=O)N1CCN(Cc2cc(=O)n3nc(-c4ccccc4OC)sc3n2)CC1	ZINC000035447141	554055459	/nfs/dbraw/zinc/05/54/59/554055459.db2.gz	XYCADJWQAHDKMF-UHFFFAOYSA-N	0	0	506.588	3.185	50	0		KGAARN
COc1ccc(C)cc1NC(=O)N1CCN(Cc2cc(=O)n3nc(-c4ccccc4OC)sc3n2)CC1	ZINC000035447146	554055571	/nfs/dbraw/zinc/05/55/71/554055571.db2.gz	ARDWLMFJCCJANO-UHFFFAOYSA-N	0	0	520.615	3.493	50	0		KGAARN
COc1ccc(NC(=O)N2CCN(Cc3cc(=O)n4nc(-c5ccccc5OC)sc4n3)CC2)cc1	ZINC000035447148	554055465	/nfs/dbraw/zinc/05/54/65/554055465.db2.gz	XJKYHMDBXWVCNJ-UHFFFAOYSA-N	0	0	506.588	3.185	50	0		KGAARN
COc1ccc(NC(=O)N2CCN(Cc3cc(=O)n4nc(-c5cccs5)sc4n3)CC2)cc1OC	ZINC000035447153	554055484	/nfs/dbraw/zinc/05/54/84/554055484.db2.gz	VIXJOPPWRKLIBL-UHFFFAOYSA-N	0	0	512.617	3.246	50	0		KGAARN
O=C(Nc1ccc2c(c1)OCCO2)N1CCN(Cc2cc(=O)n3nc(-c4cccs4)sc3n2)CC1	ZINC000035447162	554055499	/nfs/dbraw/zinc/05/54/99/554055499.db2.gz	IRDXNAAVJYIYJM-UHFFFAOYSA-N	0	0	510.601	3.000	50	0		KGAARN
COc1cccc(-c2nn3c(nc(CN4CCN(C(=O)Nc5ccccc5OC)CC4)cc3=O)s2)c1	ZINC000035447169	554055556	/nfs/dbraw/zinc/05/55/56/554055556.db2.gz	QLPMWQXGHBMMPE-UHFFFAOYSA-N	0	0	506.588	3.185	50	0		KGAARN
COc1cccc(-c2nn3c(nc(CN4CCN(C(=O)Nc5cc(C)ccc5OC)CC4)cc3=O)s2)c1	ZINC000035447173	554055453	/nfs/dbraw/zinc/05/54/53/554055453.db2.gz	SWCROINLXLATJR-UHFFFAOYSA-N	0	0	520.615	3.493	50	0		KGAARN
COc1ccc(NC(=O)N2CCN(Cc3cc(=O)n4nc(-c5cccc(OC)c5)sc4n3)CC2)cc1	ZINC000035447175	554055549	/nfs/dbraw/zinc/05/55/49/554055549.db2.gz	HVOXDPMWFOIKOQ-UHFFFAOYSA-N	0	0	506.588	3.185	50	0		KGAARN
COc1ccc(-c2nn3c(nc(CN4CCN(C(=O)Nc5ccccc5OC)CC4)cc3=O)s2)cc1	ZINC000035447179	554055559	/nfs/dbraw/zinc/05/55/59/554055559.db2.gz	HXPKMKLXJMPFNW-UHFFFAOYSA-N	0	0	506.588	3.185	50	0		KGAARN
COc1ccc(-c2nn3c(nc(CN4CCN(C(=O)Nc5cc(C)ccc5OC)CC4)cc3=O)s2)cc1	ZINC000035447184	554055521	/nfs/dbraw/zinc/05/55/21/554055521.db2.gz	ITZHMZNTZJCAJO-UHFFFAOYSA-N	0	0	520.615	3.493	50	0		KGAARN
COc1ccc(NC(=O)N2CCN(Cc3cc(=O)n4nc(-c5ccc(OC)cc5)sc4n3)CC2)cc1	ZINC000035447186	554055474	/nfs/dbraw/zinc/05/54/74/554055474.db2.gz	YWSBBOGOPSMUCX-UHFFFAOYSA-N	0	0	506.588	3.185	50	0		KGAARN
CS(=O)(=O)N1CCN(c2ccc(Nc3c4c(nc5nc(-c6ccccc6)nn53)CCCC4)cc2)CC1	ZINC000035463166	554056204	/nfs/dbraw/zinc/05/62/04/554056204.db2.gz	ZZJCRMYYZZCLOK-UHFFFAOYSA-N	0	0	503.632	3.495	50	0		KGAARN
Cc1[nH]c(C)c(S(=O)(=O)N2CCC(C(=O)NCc3ccccc3Cl)CC2)c1C(=O)N1CCCC1	ZINC000035481849	554056550	/nfs/dbraw/zinc/05/65/50/554056550.db2.gz	YRTSXVZMBIXSOM-UHFFFAOYSA-N	0	0	507.056	3.238	50	0		KGAARN
Cc1[nH]c(C)c(S(=O)(=O)N2CCC(C(=O)NCc3ccc(Cl)cc3)CC2)c1C(=O)N1CCCC1	ZINC000035481850	554056602	/nfs/dbraw/zinc/05/66/02/554056602.db2.gz	ROXDFIPAKGJWKU-UHFFFAOYSA-N	0	0	507.056	3.238	50	0		KGAARN
Cc1[nH]c(C)c(S(=O)(=O)N2CCC(C(=O)N[C@@H]3CCCc4ccccc43)CC2)c1C(=O)N1CCCC1	ZINC000035481862	554056607	/nfs/dbraw/zinc/05/66/07/554056607.db2.gz	NPQVUMSXWXMQIK-HSZRJFAPSA-N	0	0	512.676	3.462	50	0		KGAARN
Cc1[nH]c(C)c(S(=O)(=O)N2CCC(C(=O)N[C@H]3CCCc4ccccc43)CC2)c1C(=O)N1CCCC1	ZINC000035481863	554056442	/nfs/dbraw/zinc/05/64/42/554056442.db2.gz	NPQVUMSXWXMQIK-QHCPKHFHSA-N	0	0	512.676	3.462	50	0		KGAARN
COc1ccc(NC(=O)C2CCN(S(=O)(=O)c3cc(-c4noc(C)n4)sc3C)CC2)cc1OC	ZINC000035502727	554056861	/nfs/dbraw/zinc/05/68/61/554056861.db2.gz	LQSGOKFOFZWSLP-UHFFFAOYSA-N	0	0	506.606	3.472	50	0		KGAARN
COc1ccc(NC(=O)C2CCN(S(=O)(=O)c3cc(-c4noc(C)n4)sc3C)CC2)c(OC)c1	ZINC000035502730	554056740	/nfs/dbraw/zinc/05/67/40/554056740.db2.gz	BIKZDSSDBBSFRG-UHFFFAOYSA-N	0	0	506.606	3.472	50	0		KGAARN
COc1cc(NC(=O)C2CCN(S(=O)(=O)c3cc(-c4noc(C)n4)sc3C)CC2)cc(OC)c1	ZINC000035502733	554056747	/nfs/dbraw/zinc/05/67/47/554056747.db2.gz	JBMQERKWPGDNNU-UHFFFAOYSA-N	0	0	506.606	3.472	50	0		KGAARN
Cc1nc(-c2cc(S(=O)(=O)N3CCC(C(=O)N4CCN(c5ccccc5)CC4)CC3)c(C)s2)no1	ZINC000035502736	554056844	/nfs/dbraw/zinc/05/68/44/554056844.db2.gz	WYGGCHSCKNKDLL-UHFFFAOYSA-N	0	0	515.661	3.164	50	0		KGAARN
COc1ccc(OC)c(NC(=O)C2CCN(S(=O)(=O)c3cc(-c4noc(C)n4)sc3C)CC2)c1	ZINC000035502740	554056866	/nfs/dbraw/zinc/05/68/66/554056866.db2.gz	ZICXMPWDDQXCEM-UHFFFAOYSA-N	0	0	506.606	3.472	50	0		KGAARN
Cc1nc(-c2cc(S(=O)(=O)N3CCC(C(=O)Nc4ccc5c(c4)OCCO5)CC3)c(C)s2)no1	ZINC000035502747	554056799	/nfs/dbraw/zinc/05/67/99/554056799.db2.gz	JBGONNHIIGXYKI-UHFFFAOYSA-N	0	0	504.590	3.226	50	0		KGAARN
CC(=O)Nc1ccc(NC(=O)C2CCN(S(=O)(=O)c3cc(-c4noc(C)n4)sc3C)CC2)cc1	ZINC000035502751	554056885	/nfs/dbraw/zinc/05/68/85/554056885.db2.gz	WIWVDOCQIKUMQT-UHFFFAOYSA-N	0	0	503.606	3.413	50	0		KGAARN
CCc1nc(-c2cc(S(=O)(=O)N3CCC(C(=O)Nc4ccc5c(c4)OCO5)CC3)c(C)s2)no1	ZINC000035502754	554056828	/nfs/dbraw/zinc/05/68/28/554056828.db2.gz	HUHDFTRGRKEGON-UHFFFAOYSA-N	0	0	504.590	3.437	50	0		KGAARN
CCc1nc(-c2cc(S(=O)(=O)N3CCC(C(=O)Nc4ccc5c(c4)OCCO5)CC3)c(C)s2)no1	ZINC000035502757	554056820	/nfs/dbraw/zinc/05/68/20/554056820.db2.gz	FRFKPBOUJVFZJY-UHFFFAOYSA-N	0	0	518.617	3.480	50	0		KGAARN
COc1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3cc(-c4noc(C)n4)sc3C)C2)cc1OC	ZINC000035503006	554057020	/nfs/dbraw/zinc/05/70/20/554057020.db2.gz	UJWVIZBWQXFLDA-HNNXBMFYSA-N	0	0	506.606	3.472	50	0		KGAARN
COc1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3cc(-c4noc(C)n4)sc3C)C2)cc1OC	ZINC000035503009	554057078	/nfs/dbraw/zinc/05/70/78/554057078.db2.gz	UJWVIZBWQXFLDA-OAHLLOKOSA-N	0	0	506.606	3.472	50	0		KGAARN
COc1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3cc(-c4noc(C)n4)sc3C)C2)c(OC)c1	ZINC000035503011	554057012	/nfs/dbraw/zinc/05/70/12/554057012.db2.gz	UCCBTOJMGKJIIY-HNNXBMFYSA-N	0	0	506.606	3.472	50	0		KGAARN
COc1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3cc(-c4noc(C)n4)sc3C)C2)c(OC)c1	ZINC000035503014	554057065	/nfs/dbraw/zinc/05/70/65/554057065.db2.gz	UCCBTOJMGKJIIY-OAHLLOKOSA-N	0	0	506.606	3.472	50	0		KGAARN
Cc1nc(-c2cc(S(=O)(=O)N3CCC[C@H](C(=O)N4CCN(c5ccccc5)CC4)C3)c(C)s2)no1	ZINC000035503017	554057045	/nfs/dbraw/zinc/05/70/45/554057045.db2.gz	WJHUQQIABJQLLX-IBGZPJMESA-N	0	0	515.661	3.164	50	0		KGAARN
Cc1nc(-c2cc(S(=O)(=O)N3CCC[C@@H](C(=O)N4CCN(c5ccccc5)CC4)C3)c(C)s2)no1	ZINC000035503020	554057028	/nfs/dbraw/zinc/05/70/28/554057028.db2.gz	WJHUQQIABJQLLX-LJQANCHMSA-N	0	0	515.661	3.164	50	0		KGAARN
Cc1nc(-c2cc(S(=O)(=O)N3CCC[C@H](C(=O)Nc4ccc5c(c4)OCCO5)C3)c(C)s2)no1	ZINC000035503023	554056984	/nfs/dbraw/zinc/05/69/84/554056984.db2.gz	KAWLCORQMVHMLL-HNNXBMFYSA-N	0	0	504.590	3.226	50	0		KGAARN
Cc1nc(-c2cc(S(=O)(=O)N3CCC[C@@H](C(=O)Nc4ccc5c(c4)OCCO5)C3)c(C)s2)no1	ZINC000035503026	554057015	/nfs/dbraw/zinc/05/70/15/554057015.db2.gz	KAWLCORQMVHMLL-OAHLLOKOSA-N	0	0	504.590	3.226	50	0		KGAARN
CC(=O)Nc1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3cc(-c4noc(C)n4)sc3C)C2)cc1	ZINC000035503028	554057073	/nfs/dbraw/zinc/05/70/73/554057073.db2.gz	CKNARYUADNJQPM-INIZCTEOSA-N	0	0	503.606	3.413	50	0		KGAARN
CC(=O)Nc1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3cc(-c4noc(C)n4)sc3C)C2)cc1	ZINC000035503031	554057051	/nfs/dbraw/zinc/05/70/51/554057051.db2.gz	CKNARYUADNJQPM-MRXNPFEDSA-N	0	0	503.606	3.413	50	0		KGAARN
CCc1nc(-c2cc(S(=O)(=O)N3CCC[C@H](C(=O)Nc4ccc5c(c4)OCO5)C3)c(C)s2)no1	ZINC000035503035	554057069	/nfs/dbraw/zinc/05/70/69/554057069.db2.gz	JWPCFUYPEHPQNA-AWEZNQCLSA-N	0	0	504.590	3.437	50	0		KGAARN
CCc1nc(-c2cc(S(=O)(=O)N3CCC[C@@H](C(=O)Nc4ccc5c(c4)OCO5)C3)c(C)s2)no1	ZINC000035503038	554057017	/nfs/dbraw/zinc/05/70/17/554057017.db2.gz	JWPCFUYPEHPQNA-CQSZACIVSA-N	0	0	504.590	3.437	50	0		KGAARN
COc1cc(NC(=O)N2CCN(Cc3cc(=O)n4nc(-c5ccccc5)sc4n3)CC2)cc(OC)c1	ZINC000035509694	554057352	/nfs/dbraw/zinc/05/73/52/554057352.db2.gz	KLACKSWOVGSACP-UHFFFAOYSA-N	0	0	506.588	3.185	50	0		KGAARN
COC(=O)c1ccccc1NC(=O)N1CCN(Cc2cc(=O)n3nc(-c4ccccc4F)sc3n2)CC1	ZINC000035509720	554057301	/nfs/dbraw/zinc/05/73/01/554057301.db2.gz	FGPXPLINGDIJAI-UHFFFAOYSA-N	0	0	522.562	3.093	50	0		KGAARN
COC(=O)c1ccccc1NC(=O)N1CCN(Cc2cc(=O)n3nc(-c4cccc(F)c4)sc3n2)CC1	ZINC000035509730	554057285	/nfs/dbraw/zinc/05/72/85/554057285.db2.gz	LBKAHOMJHLZAEH-UHFFFAOYSA-N	0	0	522.562	3.093	50	0		KGAARN
COC(=O)c1ccc(NC(=O)N2CCN(Cc3cc(=O)n4nc(-c5ccc(F)cc5)sc4n3)CC2)cc1	ZINC000035509748	554057375	/nfs/dbraw/zinc/05/73/75/554057375.db2.gz	HCAMGXVLOFZBRC-UHFFFAOYSA-N	0	0	522.562	3.093	50	0		KGAARN
COc1cc(NC(=O)N2CCN(Cc3cc(=O)n4nc(-c5ccc(F)cc5)sc4n3)CC2)cc(OC)c1	ZINC000035509750	554057389	/nfs/dbraw/zinc/05/73/89/554057389.db2.gz	KNLVSBLQIFWGSB-UHFFFAOYSA-N	0	0	524.578	3.324	50	0		KGAARN
COc1ccc(-c2nn3c(nc(CN4CCN(C(=O)Nc5cc(F)ccc5F)CC4)cc3=O)s2)cc1	ZINC000035509754	554057370	/nfs/dbraw/zinc/05/73/70/554057370.db2.gz	DPSFOHZGJNJCQL-UHFFFAOYSA-N	0	0	512.542	3.455	50	0		KGAARN
CCOC(=O)c1c(C)n(C)c(C)c1S(=O)(=O)N1CCC(C(=O)N[C@@H]2CCCc3ccccc32)CC1	ZINC000035511100	554057616	/nfs/dbraw/zinc/05/76/16/554057616.db2.gz	UDQBHGYBKLWIDE-JOCHJYFZSA-N	0	0	501.649	3.413	50	0		KGAARN
CCOC(=O)c1c(C)n(C)c(C)c1S(=O)(=O)N1CCC(C(=O)N[C@H]2CCCc3ccccc32)CC1	ZINC000035511101	554057604	/nfs/dbraw/zinc/05/76/04/554057604.db2.gz	UDQBHGYBKLWIDE-QFIPXVFZSA-N	0	0	501.649	3.413	50	0		KGAARN
COc1ccc(-c2c(C(=O)NCc3ccccn3)nn3c2nc(C)cc3C)cc1S(=O)(=O)N1CCCC1	ZINC000035528014	554057949	/nfs/dbraw/zinc/05/79/49/554057949.db2.gz	GCYFCNCURVONCL-UHFFFAOYSA-N	0	0	520.615	3.131	50	0		KGAARN
COc1ccc(-c2c(C(=O)NCc3cccnc3)nn3c2nc(C)cc3C)cc1S(=O)(=O)N1CCCC1	ZINC000035528015	554057841	/nfs/dbraw/zinc/05/78/41/554057841.db2.gz	SCDJMFXDEQPMOB-UHFFFAOYSA-N	0	0	520.615	3.131	50	0		KGAARN
CCOC(=O)c1c(NC(=O)[C@@H](C)N2CCN(S(=O)(=O)c3cccs3)CC2)sc2c1CC[C@@H](C)C2	ZINC000035529772	554058124	/nfs/dbraw/zinc/05/81/24/554058124.db2.gz	BOEMOXCLQWFBLN-HZPDHXFCSA-N	0	0	525.718	3.445	50	0		KGAARN
CCOC(=O)c1c(NC(=O)[C@H](C)N2CCN(S(=O)(=O)c3cccs3)CC2)sc2c1CC[C@@H](C)C2	ZINC000035529776	554058096	/nfs/dbraw/zinc/05/80/96/554058096.db2.gz	BOEMOXCLQWFBLN-CVEARBPZSA-N	0	0	525.718	3.445	50	0		KGAARN
CCOC(=O)c1c(NC(=O)[C@@H](C)N2CCN(S(=O)(=O)c3cccs3)CC2)sc2c1CC[C@H](C)C2	ZINC000035529779	554058130	/nfs/dbraw/zinc/05/81/30/554058130.db2.gz	BOEMOXCLQWFBLN-JKSUJKDBSA-N	0	0	525.718	3.445	50	0		KGAARN
CCOC(=O)c1c(NC(=O)[C@H](C)N2CCN(S(=O)(=O)c3cccs3)CC2)sc2c1CC[C@H](C)C2	ZINC000035529782	554058161	/nfs/dbraw/zinc/05/81/61/554058161.db2.gz	BOEMOXCLQWFBLN-HOTGVXAUSA-N	0	0	525.718	3.445	50	0		KGAARN
COc1ccc(CCNC(=O)Cn2cc(C(=O)c3ccncc3)c(=O)c3cc(C)c(F)cc32)cc1OC	ZINC000035535404	554058411	/nfs/dbraw/zinc/05/84/11/554058411.db2.gz	BVDKLGMKIJILLR-UHFFFAOYSA-N	0	0	503.530	3.451	50	0		KGAARN
O=C(COc1ccc(F)cc1)N1CCN(Cc2cc(=O)n3nc(-c4ccccc4Cl)sc3n2)CC1	ZINC000035535461	554058382	/nfs/dbraw/zinc/05/83/82/554058382.db2.gz	MSDXUEFFZFGOID-UHFFFAOYSA-N	0	0	513.982	3.334	50	0		KGAARN
O=C(COc1ccc(F)cc1)N1CCN(Cc2cc(=O)n3nc(-c4cccc(Cl)c4)sc3n2)CC1	ZINC000035535468	554058652	/nfs/dbraw/zinc/05/86/52/554058652.db2.gz	YEHHXJJWTZZIHS-UHFFFAOYSA-N	0	0	513.982	3.334	50	0		KGAARN
O=C(COc1ccccc1F)N1CCN(Cc2cc(=O)n3nc(-c4ccc(Cl)cc4)sc3n2)CC1	ZINC000035535473	554058638	/nfs/dbraw/zinc/05/86/38/554058638.db2.gz	PWRPYMYXPQWZKM-UHFFFAOYSA-N	0	0	513.982	3.334	50	0		KGAARN
O=C(COc1ccc(F)cc1)N1CCN(Cc2cc(=O)n3nc(-c4ccc(Cl)cc4)sc3n2)CC1	ZINC000035535474	554058673	/nfs/dbraw/zinc/05/86/73/554058673.db2.gz	NPUMWOYOSXQXAK-UHFFFAOYSA-N	0	0	513.982	3.334	50	0		KGAARN
Cc1ccc(OCC(=O)N2CCN(Cc3cc(=O)n4nc(-c5ccccc5F)sc4n3)CC2)cc1C	ZINC000035535478	554058675	/nfs/dbraw/zinc/05/86/75/554058675.db2.gz	XAVBLAIHHLDWNW-UHFFFAOYSA-N	0	0	507.591	3.297	50	0		KGAARN
O=C(COc1ccccc1Cl)N1CCN(Cc2cc(=O)n3nc(-c4ccccc4F)sc3n2)CC1	ZINC000035535481	554058663	/nfs/dbraw/zinc/05/86/63/554058663.db2.gz	JHUIQTWNFDRHDO-UHFFFAOYSA-N	0	0	513.982	3.334	50	0		KGAARN
O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc(=O)n3nc(-c4ccccc4F)sc3n2)CC1	ZINC000035535482	554058648	/nfs/dbraw/zinc/05/86/48/554058648.db2.gz	RRXIFHZLFRNUDK-UHFFFAOYSA-N	0	0	513.982	3.334	50	0		KGAARN
CC[C@H](Oc1ccccc1)C(=O)N1CCN(Cc2cc(=O)n3nc(-c4ccccc4F)sc3n2)CC1	ZINC000035535484	554058651	/nfs/dbraw/zinc/05/86/51/554058651.db2.gz	RWSDBTSNVLVYON-QFIPXVFZSA-N	0	0	507.591	3.459	50	0		KGAARN
CC[C@@H](Oc1ccccc1)C(=O)N1CCN(Cc2cc(=O)n3nc(-c4ccccc4F)sc3n2)CC1	ZINC000035535485	554058659	/nfs/dbraw/zinc/05/86/59/554058659.db2.gz	RWSDBTSNVLVYON-JOCHJYFZSA-N	0	0	507.591	3.459	50	0		KGAARN
Cc1ccc(OCC(=O)N2CCN(Cc3cc(=O)n4nc(-c5cccc(F)c5)sc4n3)CC2)cc1C	ZINC000035535985	554058671	/nfs/dbraw/zinc/05/86/71/554058671.db2.gz	RBLXBGHXYSYTDE-UHFFFAOYSA-N	0	0	507.591	3.297	50	0		KGAARN
O=C(COc1ccccc1Cl)N1CCN(Cc2cc(=O)n3nc(-c4cccc(F)c4)sc3n2)CC1	ZINC000035535993	554058643	/nfs/dbraw/zinc/05/86/43/554058643.db2.gz	VDKLQEHZIBOMBV-UHFFFAOYSA-N	0	0	513.982	3.334	50	0		KGAARN
O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cc(=O)n3nc(-c4cccc(F)c4)sc3n2)CC1	ZINC000035535995	554058640	/nfs/dbraw/zinc/05/86/40/554058640.db2.gz	BTUOMCNLVWFKIK-UHFFFAOYSA-N	0	0	513.982	3.334	50	0		KGAARN
Cc1ccc(OCC(=O)N2CCN(Cc3cc(=O)n4nc(-c5ccc(F)cc5)sc4n3)CC2)cc1C	ZINC000035536005	554058682	/nfs/dbraw/zinc/05/86/82/554058682.db2.gz	ZWNMOJJEQQDECI-UHFFFAOYSA-N	0	0	507.591	3.297	50	0		KGAARN
O=C(COc1ccccc1Cl)N1CCN(Cc2cc(=O)n3nc(-c4ccc(F)cc4)sc3n2)CC1	ZINC000035536011	554058665	/nfs/dbraw/zinc/05/86/65/554058665.db2.gz	FTXHGBDWZWZNJJ-UHFFFAOYSA-N	0	0	513.982	3.334	50	0		KGAARN
COc1ccccc1-c1nn2c(nc(CN3CCN(C(=O)COc4ccc(C)c(C)c4)CC3)cc2=O)s1	ZINC000035536025	554058982	/nfs/dbraw/zinc/05/89/82/554058982.db2.gz	DGPPMWKOKBRWKS-UHFFFAOYSA-N	0	0	519.627	3.167	50	0		KGAARN
COc1cccc(-c2nn3c(nc(CN4CCN(C(=O)COc5ccc(C)c(C)c5)CC4)cc3=O)s2)c1	ZINC000035536039	554059025	/nfs/dbraw/zinc/05/90/25/554059025.db2.gz	PLPQFLJPBSEAQD-UHFFFAOYSA-N	0	0	519.627	3.167	50	0		KGAARN
COc1cccc(-c2nn3c(nc(CN4CCN(C(=O)CSc5ccccc5)CC4)cc3=O)s2)c1	ZINC000035536047	554059018	/nfs/dbraw/zinc/05/90/18/554059018.db2.gz	YQQGSPRGZKCOGV-UHFFFAOYSA-N	0	0	507.641	3.263	50	0		KGAARN
COc1ccc(-c2nn3c(nc(CN4CCN(C(=O)COc5ccc(C)c(C)c5)CC4)cc3=O)s2)cc1	ZINC000035536060	554058939	/nfs/dbraw/zinc/05/89/39/554058939.db2.gz	ODIZBNFEGCSZPM-UHFFFAOYSA-N	0	0	519.627	3.167	50	0		KGAARN
COc1ccc(-c2nn3c(nc(CN4CCN(C(=O)CSc5ccccc5)CC4)cc3=O)s2)cc1	ZINC000035536064	554058972	/nfs/dbraw/zinc/05/89/72/554058972.db2.gz	LCRWNDATOXPIKN-UHFFFAOYSA-N	0	0	507.641	3.263	50	0		KGAARN
Cc1nc(-c2cc(S(=O)(=O)N3CCC(C(=O)NCc4nc5cc(C)ccc5[nH]4)CC3)c(C)s2)no1	ZINC000035554124	554059224	/nfs/dbraw/zinc/05/92/24/554059224.db2.gz	UTUFRPIXFPPIFU-UHFFFAOYSA-N	0	0	514.633	3.317	50	0		KGAARN
CCc1nc(-c2cc(S(=O)(=O)N3CCC(C(=O)NCc4ccc5c(c4)OCO5)CC3)c(C)s2)no1	ZINC000035554137	554059307	/nfs/dbraw/zinc/05/93/07/554059307.db2.gz	IYZOJZAVBCQYGM-UHFFFAOYSA-N	0	0	518.617	3.115	50	0		KGAARN
Cc1sc(-c2noc(C3CCC3)n2)cc1S(=O)(=O)N1CCC(C(=O)NCc2ccccn2)CC1	ZINC000035554349	554059430	/nfs/dbraw/zinc/05/94/30/554059430.db2.gz	GWUNIKAKMWSGNP-UHFFFAOYSA-N	0	0	501.634	3.486	50	0		KGAARN
Cc1sc(-c2noc(C3CCC3)n2)cc1S(=O)(=O)N1CCC(C(=O)NCc2cccnc2)CC1	ZINC000035554352	554059481	/nfs/dbraw/zinc/05/94/81/554059481.db2.gz	SLAMDQMFDKDMIZ-UHFFFAOYSA-N	0	0	501.634	3.486	50	0		KGAARN
Cc1nc(-c2cc(S(=O)(=O)N3CCC[C@@H](C(=O)NCc4nc5cc(C)ccc5[nH]4)C3)c(C)s2)no1	ZINC000035555983	554060077	/nfs/dbraw/zinc/06/00/77/554060077.db2.gz	KMRQRLVUSMOOFC-MRXNPFEDSA-N	0	0	514.633	3.317	50	0		KGAARN
Cc1nc(-c2cc(S(=O)(=O)N3CCC[C@H](C(=O)NCc4nc5cc(C)ccc5[nH]4)C3)c(C)s2)no1	ZINC000035555986	554060011	/nfs/dbraw/zinc/06/00/11/554060011.db2.gz	KMRQRLVUSMOOFC-INIZCTEOSA-N	0	0	514.633	3.317	50	0		KGAARN
Cc1sc(-c2noc(C3CCC3)n2)cc1S(=O)(=O)N1CCC[C@H](C(=O)NCc2cccnc2)C1	ZINC000035556121	554060420	/nfs/dbraw/zinc/06/04/20/554060420.db2.gz	HYCFXWHIEHGCNS-SFHVURJKSA-N	0	0	501.634	3.486	50	0		KGAARN
Cc1sc(-c2noc(C3CCC3)n2)cc1S(=O)(=O)N1CCC[C@@H](C(=O)NCc2cccnc2)C1	ZINC000035556124	554060390	/nfs/dbraw/zinc/06/03/90/554060390.db2.gz	HYCFXWHIEHGCNS-GOSISDBHSA-N	0	0	501.634	3.486	50	0		KGAARN
O=C(NCc1ccc2c(c1)OCO2)C1CCN(S(=O)(=O)c2cc(-c3noc(C4CC4)n3)cs2)CC1	ZINC000035558067	554060874	/nfs/dbraw/zinc/06/08/74/554060874.db2.gz	MBWGDAQSTGPJDQ-UHFFFAOYSA-N	0	0	516.601	3.121	50	0		KGAARN
O=C(Nc1ccc2c(c1)OCCO2)C1CCN(S(=O)(=O)c2cc(-c3noc(C4CC4)n3)cs2)CC1	ZINC000035558112	554060867	/nfs/dbraw/zinc/06/08/67/554060867.db2.gz	IBUSCUGREBQWGA-UHFFFAOYSA-N	0	0	516.601	3.486	50	0		KGAARN
CCOC(=O)c1ccc(NC(=O)CSc2nncn2CC(=O)Nc2ccc(C(=O)OCC)cc2)cc1	ZINC000035655320	554062061	/nfs/dbraw/zinc/06/20/61/554062061.db2.gz	AHBLDAZQWFYXHE-UHFFFAOYSA-N	0	0	511.560	3.001	50	0		KGAARN
CCn1ncc(/C=c2/sc3n(c2=O)[C@H]2c4ccccc4O[C@@](C)(N=3)[C@@H]2C(=O)Nc2ccccc2C)c1C	ZINC000035677888	554062991	/nfs/dbraw/zinc/06/29/91/554062991.db2.gz	BPOUFZVDYHXYGV-BCKIGOOKSA-N	0	0	513.623	3.158	50	0		KGAARN
CCOC(=O)N1CCN(C(=O)c2ccc(CSc3nc(Cl)cc(N4CCN(C)CC4)n3)cc2)CC1	ZINC000035708490	554065882	/nfs/dbraw/zinc/06/58/82/554065882.db2.gz	QTVFDTIDYDOIRN-UHFFFAOYSA-N	0	0	519.071	3.088	50	0		KGAARN
CCOC(=O)CNC(=O)Nc1ccc(N2CCN(c3ccccc3OC)CC2)c(C(=O)N(CC)CC)c1	ZINC000035722953	554067131	/nfs/dbraw/zinc/06/71/31/554067131.db2.gz	LHHBIURLYSVYOR-UHFFFAOYSA-N	0	0	511.623	3.188	50	0		KGAARN
COc1ccc(CCNC(=O)CN2CN(c3ccccc3)C3(CCN(C(=O)C(C)(C)C)CC3)C2=O)cc1OC	ZINC000035743986	554069799	/nfs/dbraw/zinc/06/97/99/554069799.db2.gz	DKABIYULEFTRLV-UHFFFAOYSA-N	0	0	536.673	3.076	50	0		KGAARN
O=C(CN1CN(c2ccccc2)C2(CCN(C(=O)NC3CCCCC3)CC2)C1=O)NCc1ccccc1	ZINC000035744228	554070128	/nfs/dbraw/zinc/07/01/28/554070128.db2.gz	IIDRHMPNBJGWIP-UHFFFAOYSA-N	0	0	503.647	3.486	50	0		KGAARN
COc1ccc(CC(=O)N(CCN2CCOCC2)CC(=O)N(Cc2ccco2)Cc2ccccc2)cc1	ZINC000035765580	554071058	/nfs/dbraw/zinc/07/10/58/554071058.db2.gz	XEHDXRKPFZHGCY-UHFFFAOYSA-N	0	0	505.615	3.221	50	0		KGAARN
COCCN(CC(=O)N(Cc1ccco1)Cc1ccc2c(c1)OCO2)C(=O)c1ccc(OC)cc1OC	ZINC000035767554	554071632	/nfs/dbraw/zinc/07/16/32/554071632.db2.gz	BWOKRJXZSACBMF-UHFFFAOYSA-N	0	0	510.543	3.343	50	0		KGAARN
COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CN1CC[C@@]2(O)CCCC[C@H]2[C@@H]1c1ccc(O)c(OC)c1	ZINC000035807042	554075966	/nfs/dbraw/zinc/07/59/66/554075966.db2.gz	GTSHSTJFTSYFBU-PGJMPONKSA-N	0	0	535.641	3.451	50	0	biogenic,in-vitro	KGAARN
COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CN1CC[C@]2(O)CCCC[C@@H]2[C@@H]1c1ccc2c(c1)OCO2	ZINC000035807326	554075990	/nfs/dbraw/zinc/07/59/90/554075990.db2.gz	HIHNMCOMSIMZIS-KKGYKCSESA-N	0	0	533.625	3.465	50	0	biogenic	KGAARN
COc1ccc(CCn2cnc3sc4c(c3c2=O)CCN(S(=O)(=O)c2ccccc2)C4)cc1OC	ZINC000035842364	554080394	/nfs/dbraw/zinc/08/03/94/554080394.db2.gz	TYBVJCUGJCMQLF-UHFFFAOYSA-N	0	0	511.625	3.465	50	0		KGAARN
COc1ccccc1N1CCN2c3ccc(C(F)(F)F)cc3C[C@@H](C(=O)N3CCN(C(C)=O)CC3)[C@H]2C1	ZINC000035872016	554086505	/nfs/dbraw/zinc/08/65/05/554086505.db2.gz	UBFVDZHJRGETNP-ZJSXRUAMSA-N	0	0	516.564	3.272	50	0		KGAARN
COc1ccccc1N1CCN2c3ccc(C(F)(F)F)cc3C[C@H](C(=O)N3CCN(C(C)=O)CC3)[C@H]2C1	ZINC000035872017	554086439	/nfs/dbraw/zinc/08/64/39/554086439.db2.gz	UBFVDZHJRGETNP-XUZZJYLKSA-N	0	0	516.564	3.272	50	0		KGAARN
CCCN1C(=O)N(CCC)C(=O)C2(Cc3ccccc3N3CCN(Cc4ccc5c(c4)OCO5)C[C@H]32)C1=O	ZINC000035877178	554087799	/nfs/dbraw/zinc/08/77/99/554087799.db2.gz	ZFIJMFCEFYASRX-VWLOTQADSA-N	0	0	518.614	3.259	50	0		KGAARN
COc1cccc(Cc2c(C)nc(C)nc2N2CCN(S(=O)(=O)c3ccc(NC(C)=O)cc3)CC2)c1	ZINC000035888173	554089073	/nfs/dbraw/zinc/08/90/73/554089073.db2.gz	FTBNAEKUTKSIOO-UHFFFAOYSA-N	0	0	509.632	3.162	50	0		KGAARN
O=C(NCCN1CCOCC1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(c3ccccc3F)C[C@@H]12	ZINC000035907765	554091984	/nfs/dbraw/zinc/09/19/84/554091984.db2.gz	UHYUZMWRBIBESJ-RDPSFJRHSA-N	0	0	506.544	3.160	50	0		KGAARN
CC(=O)N1CCN(C(=O)[C@@H]2Cc3cc(C(F)(F)F)ccc3N3CCN(c4ccccc4F)C[C@H]23)CC1	ZINC000035907807	554091991	/nfs/dbraw/zinc/09/19/91/554091991.db2.gz	IAFOEHMIRSMPDZ-HYBUGGRVSA-N	0	0	504.528	3.403	50	0		KGAARN
CC(=O)N1CCN(C(=O)[C@H]2Cc3cc(C(F)(F)F)ccc3N3CCN(c4ccccc4F)C[C@H]23)CC1	ZINC000035907808	554091911	/nfs/dbraw/zinc/09/19/11/554091911.db2.gz	IAFOEHMIRSMPDZ-GBXCKJPGSA-N	0	0	504.528	3.403	50	0		KGAARN
COc1ccccc1N1CCN2c3ccc(C(F)(F)F)cc3C[C@H](C(=O)NCCN3CCOCC3)[C@@H]2C1	ZINC000035907826	554091920	/nfs/dbraw/zinc/09/19/20/554091920.db2.gz	ACSYESFMPQEQDH-URXFXBBRSA-N	0	0	518.580	3.030	50	0		KGAARN
COc1ccccc1N1CCN2c3ccc(C(F)(F)F)cc3C[C@H](C(=O)NCCCN3CCOCC3)[C@@H]2C1	ZINC000035907834	554091937	/nfs/dbraw/zinc/09/19/37/554091937.db2.gz	FJLXNCWJMZXVQG-DHLKQENFSA-N	0	0	532.607	3.420	50	0		KGAARN
CCOC(=O)C1CCN(C(=O)[C@@H]2Cc3cc(C(F)(F)F)ccc3N3CCN(c4ncccn4)C[C@H]23)CC1	ZINC000035907856	554091969	/nfs/dbraw/zinc/09/19/69/554091969.db2.gz	YBRPPSLZEBEMDS-IFMALSPDSA-N	0	0	517.552	3.165	50	0		KGAARN
CCOC(=O)C1CCN(C(=O)[C@H]2Cc3cc(C(F)(F)F)ccc3N3CCN(c4ncccn4)C[C@H]23)CC1	ZINC000035907857	554091982	/nfs/dbraw/zinc/09/19/82/554091982.db2.gz	YBRPPSLZEBEMDS-RBBKRZOGSA-N	0	0	517.552	3.165	50	0		KGAARN
O=C(NCCCN1CCOCC1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(c3ccccc3)C[C@@H]12	ZINC000035907939	554092441	/nfs/dbraw/zinc/09/24/41/554092441.db2.gz	SUIXXQKDDZMFEB-ZCYQVOJMSA-N	0	0	502.581	3.411	50	0		KGAARN
COc1cccc(N2CCN3c4ccc(C(F)(F)F)cc4C[C@H](C(=O)NCCN4CCOCC4)[C@@H]3C2)c1	ZINC000035908013	554092413	/nfs/dbraw/zinc/09/24/13/554092413.db2.gz	FZBFMHMITOBQOS-ZCYQVOJMSA-N	0	0	518.580	3.030	50	0		KGAARN
CCOC(=O)C1CCN(C(=O)[C@@H]2Cc3cc(C(F)(F)F)ccc3N3CCN(c4cnccn4)C[C@H]23)CC1	ZINC000035908156	554092663	/nfs/dbraw/zinc/09/26/63/554092663.db2.gz	IFEVHEFUZUANEO-IFMALSPDSA-N	0	0	517.552	3.165	50	0		KGAARN
CCOC(=O)C1CCN(C(=O)[C@H]2Cc3cc(C(F)(F)F)ccc3N3CCN(c4cnccn4)C[C@H]23)CC1	ZINC000035908157	554092720	/nfs/dbraw/zinc/09/27/20/554092720.db2.gz	IFEVHEFUZUANEO-RBBKRZOGSA-N	0	0	517.552	3.165	50	0		KGAARN
CCOC(=O)CNC(=O)N1CCCN(c2nc(Cc3ccccc3)nc3c2c(C)nn3-c2ccccc2)CC1	ZINC000035908888	554093701	/nfs/dbraw/zinc/09/37/01/554093701.db2.gz	WFCFNVNBFUAEED-UHFFFAOYSA-N	0	0	527.629	3.500	50	0		KGAARN
Cc1cc(-c2c(C)nc3scc(CC(=O)N4CCC5(CC4)OCCO5)n3c2=O)nn1-c1ccccc1	ZINC000035911564	554095088	/nfs/dbraw/zinc/09/50/88/554095088.db2.gz	ZEPLBILCVXQWJQ-UHFFFAOYSA-N	0	0	505.600	3.134	50	0		KGAARN
Cc1cc(-c2c(C)nc3scc(CC(=O)N4CCC5(CC4)OCCO5)n3c2=O)nn1-c1ccc(C)cc1	ZINC000035911595	554095117	/nfs/dbraw/zinc/09/51/17/554095117.db2.gz	XAFDKPQADBJBNV-UHFFFAOYSA-N	0	0	519.627	3.442	50	0		KGAARN
Cc1cc(-c2c(C)nc3scc(CC(=O)N4CCC5(CC4)OCCO5)n3c2=O)nn1-c1ccccc1C	ZINC000035911645	554095073	/nfs/dbraw/zinc/09/50/73/554095073.db2.gz	PBEFMLVBXMOTSW-UHFFFAOYSA-N	0	0	519.627	3.442	50	0		KGAARN
Cc1cc(-c2c(C)nc3scc(CC(=O)N4CCC5(CC4)OCCO5)n3c2=O)nn1-c1ccc(F)cc1	ZINC000035911677	554095096	/nfs/dbraw/zinc/09/50/96/554095096.db2.gz	JEAFSJVFDCTEGT-UHFFFAOYSA-N	0	0	523.590	3.273	50	0		KGAARN
CCc1ccccc1-n1nc(-c2c(C)nc3scc(CC(=O)N4CCN(CC)CC4)n3c2=O)cc1C	ZINC000035911809	554095632	/nfs/dbraw/zinc/09/56/32/554095632.db2.gz	QIJVNSZMRSGAEB-UHFFFAOYSA-N	0	0	504.660	3.495	50	0		KGAARN
Cc1cc(-c2c(C)nc3scc(CC(=O)N4CCC5(CC4)OCCO5)n3c2=O)nn1-c1cccc(F)c1	ZINC000035911844	554095682	/nfs/dbraw/zinc/09/56/82/554095682.db2.gz	HPLNRGSOBXOGRP-UHFFFAOYSA-N	0	0	523.590	3.273	50	0		KGAARN
Cc1cc(-c2c(C)nc3scc(CC(=O)N4CCC5(CC4)OCCO5)n3c2=O)nn1-c1cccc(C)c1	ZINC000035911867	554095691	/nfs/dbraw/zinc/09/56/91/554095691.db2.gz	QBBDEUFJBVRSEJ-UHFFFAOYSA-N	0	0	519.627	3.442	50	0		KGAARN
COc1ccccc1-n1nc(-c2c(C)nc3scc(CC(=O)NCc4ccccn4)n3c2=O)cc1C	ZINC000035912050	554095999	/nfs/dbraw/zinc/09/59/99/554095999.db2.gz	YPRBCTWLLDUDGR-UHFFFAOYSA-N	0	0	500.584	3.488	50	0		KGAARN
COc1ccccc1-n1nc(-c2c(C)nc3scc(CC(=O)NCc4cccnc4)n3c2=O)cc1C	ZINC000035912051	554095892	/nfs/dbraw/zinc/09/58/92/554095892.db2.gz	NRECZOORJOVAJV-UHFFFAOYSA-N	0	0	500.584	3.488	50	0		KGAARN
COc1ccccc1-n1nc(-c2c(C)nc3scc(CC(=O)NCc4ccncc4)n3c2=O)cc1C	ZINC000035912054	554095948	/nfs/dbraw/zinc/09/59/48/554095948.db2.gz	MJNQBWUUACYULN-UHFFFAOYSA-N	0	0	500.584	3.488	50	0		KGAARN
O=C(Nc1cccc(Cl)c1)N1CCN(c2nc(CN3CCN(c4ccccc4)CC3)cc(=O)[nH]2)CC1	ZINC000035925333	554097607	/nfs/dbraw/zinc/09/76/07/554097607.db2.gz	BWUSPUOECBDAGX-UHFFFAOYSA-N	0	0	508.026	3.100	50	0		KGAARN
Cc1cc(-c2c(C)nc3scc(CC(=O)N4CCC5(CC4)OCCO5)n3c2=O)nn1-c1ccccc1F	ZINC000035925770	554098106	/nfs/dbraw/zinc/09/81/06/554098106.db2.gz	WBUPITZHJPDNDM-UHFFFAOYSA-N	0	0	523.590	3.273	50	0		KGAARN
CCOC(=O)CCC(=O)N1CCCN(c2nc(C3CCOCC3)nc3c2cnn3-c2ccccc2)CC1	ZINC000035926045	554098450	/nfs/dbraw/zinc/09/84/50/554098450.db2.gz	XFBGQLNTSRQORT-UHFFFAOYSA-N	0	0	506.607	3.092	50	0		KGAARN
CC[C@H](C(=O)N1CCN(c2nc(CN3CCN(c4ccccc4F)CC3)cc(=O)[nH]2)CC1)c1ccccc1	ZINC000035926284	554099101	/nfs/dbraw/zinc/09/91/01/554099101.db2.gz	CGLRUPMKMDUJCE-DEOSSOPVSA-N	0	0	518.637	3.074	50	0		KGAARN
CC[C@@H](C(=O)N1CCN(c2nc(CN3CCN(c4ccccc4F)CC3)cc(=O)[nH]2)CC1)c1ccccc1	ZINC000035926285	554099325	/nfs/dbraw/zinc/09/93/25/554099325.db2.gz	CGLRUPMKMDUJCE-XMMPIXPASA-N	0	0	518.637	3.074	50	0		KGAARN
CC(C)(C)c1ccc(C(=O)N2CCN(c3nc(CN4CCN(c5ccccc5F)CC4)cc(=O)[nH]3)CC2)cc1	ZINC000035926287	554099297	/nfs/dbraw/zinc/09/92/97/554099297.db2.gz	YPXNEWCMYLKAGL-UHFFFAOYSA-N	0	0	532.664	3.491	50	0		KGAARN
O=C(c1ccccc1Cl)N1CCCN(c2nc(CN3CCN(c4ccccc4F)CC3)cc(=O)[nH]2)CC1	ZINC000035926300	554099078	/nfs/dbraw/zinc/09/90/78/554099078.db2.gz	PWRVPVZLCRCTRB-UHFFFAOYSA-N	0	0	525.028	3.237	50	0		KGAARN
Cc1ccccc1C(=O)N1CCN(c2nc(CN3CCN(c4ccccc4Cl)CC3)cc(=O)[nH]2)CC1	ZINC000035926395	554099767	/nfs/dbraw/zinc/09/97/67/554099767.db2.gz	BZZASKKCXCFYRK-UHFFFAOYSA-N	0	0	507.038	3.016	50	0		KGAARN
O=C(CCc1ccccc1)N1CCN(c2nc(CN3CCN(c4ccccc4Cl)CC3)cc(=O)[nH]2)CC1	ZINC000035926401	554099635	/nfs/dbraw/zinc/09/96/35/554099635.db2.gz	JUESEFNPTOCAKZ-UHFFFAOYSA-N	0	0	521.065	3.027	50	0		KGAARN
CCc1ccc(C(=O)N2CCN(c3nc(CN4CCN(c5ccccc5Cl)CC4)cc(=O)[nH]3)CC2)cc1	ZINC000035926405	554099679	/nfs/dbraw/zinc/09/96/79/554099679.db2.gz	NZKGSNZKOUJACL-UHFFFAOYSA-N	0	0	521.065	3.270	50	0		KGAARN
O=C(C1CCCCC1)N1CCCN(c2nc(CN3CCN(c4ccccc4Cl)CC3)cc(=O)[nH]2)CC1	ZINC000035926413	554099527	/nfs/dbraw/zinc/09/95/27/554099527.db2.gz	ARANSRCGEMLONU-UHFFFAOYSA-N	0	0	513.086	3.365	50	0		KGAARN
CCCCCC(=O)N1CCCN(c2nc(CN3CCN(c4ccccc4Cl)CC3)cc(=O)[nH]2)CC1	ZINC000035926416	554099466	/nfs/dbraw/zinc/09/94/66/554099466.db2.gz	ALUWWLMDZLLESM-UHFFFAOYSA-N	0	0	501.075	3.365	50	0		KGAARN
O=C(CCc1ccccc1)N1CCCN(c2nc(CN3CCN(c4ccccc4Cl)CC3)cc(=O)[nH]2)CC1	ZINC000035926420	554099578	/nfs/dbraw/zinc/09/95/78/554099578.db2.gz	PHMPFULNWFDHJR-UHFFFAOYSA-N	0	0	535.092	3.417	50	0		KGAARN
Cc1cccc(N2CCN(Cc3cc(=O)[nH]c(N4CCN(C(=O)CCC5CCCC5)CC4)n3)CC2)c1C	ZINC000035926555	554099731	/nfs/dbraw/zinc/09/97/31/554099731.db2.gz	DODJEAZOUBCRHO-UHFFFAOYSA-N	0	0	506.695	3.328	50	0		KGAARN
Cc1ccc(C(=O)N2CCCN(c3nc(CN4CCN(Cc5ccc(Cl)cc5)CC4)cc(=O)[nH]3)CC2)cc1	ZINC000035926618	554100132	/nfs/dbraw/zinc/10/01/32/554100132.db2.gz	MLYOMYHCROYRPO-UHFFFAOYSA-N	0	0	535.092	3.402	50	0		KGAARN
CCc1ccc(C(=O)N2CCN(c3nc(CN4CCN(c5ccc(C)c(C)c5)CC4)cc(=O)[nH]3)CC2)cc1	ZINC000035926650	554099933	/nfs/dbraw/zinc/09/99/33/554099933.db2.gz	RHHMMHGOYZLRME-UHFFFAOYSA-N	0	0	514.674	3.234	50	0		KGAARN
Cc1ccc(N2CCN(Cc3cc(=O)[nH]c(N4CCN(C(=O)c5cccc(Cl)c5)CC4)n3)CC2)cc1C	ZINC000035926657	554099944	/nfs/dbraw/zinc/09/99/44/554099944.db2.gz	QPPUXDANLILLHM-UHFFFAOYSA-N	0	0	521.065	3.325	50	0		KGAARN
CCc1ccc(C(=O)N2CCN(c3nc(CN4CCN(c5cc(C)ccc5C)CC4)cc(=O)[nH]3)CC2)cc1	ZINC000035926721	554100478	/nfs/dbraw/zinc/10/04/78/554100478.db2.gz	DYUNBQPUMBNPKU-UHFFFAOYSA-N	0	0	514.674	3.234	50	0		KGAARN
Cc1ccc(NC(=O)N2CCN(c3nc(CN4CCN(c5ccc(C)c(C)c5)CC4)cc(=O)[nH]3)CC2)cc1	ZINC000035926772	554100535	/nfs/dbraw/zinc/10/05/35/554100535.db2.gz	RLUDAQCACDPWSZ-UHFFFAOYSA-N	0	0	515.662	3.371	50	0		KGAARN
O=C(Nc1ccc(Cl)cc1)N1CCN(c2nc(CN3CCN(c4ccccc4F)CC3)cc(=O)[nH]2)CC1	ZINC000035926783	554100409	/nfs/dbraw/zinc/10/04/09/554100409.db2.gz	ODSYHKWVDKVFCA-UHFFFAOYSA-N	0	0	526.016	3.239	50	0		KGAARN
O=C(Nc1cccc(Cl)c1)N1CCN(c2nc(CN3CCN(c4ccccc4F)CC3)cc(=O)[nH]2)CC1	ZINC000035926784	554100848	/nfs/dbraw/zinc/10/08/48/554100848.db2.gz	LGJKHIDFBIKAIV-UHFFFAOYSA-N	0	0	526.016	3.239	50	0		KGAARN
COc1cc2c(cc1OC)CN(Cc1cc(=O)[nH]c(N3CCN(C(=O)Nc4ccc(C)cc4)CC3)n1)CC2	ZINC000035926790	554100894	/nfs/dbraw/zinc/10/08/94/554100894.db2.gz	DLOJJGJBEMDZGI-UHFFFAOYSA-N	0	0	518.618	3.008	50	0		KGAARN
Cc1ccccc1N1CCN(Cc2cc(=O)[nH]c(N3CCN(C(=O)Nc4ccc(Cl)cc4)CC3)n2)CC1	ZINC000035926792	554100809	/nfs/dbraw/zinc/10/08/09/554100809.db2.gz	UUPXXMPZZDLENR-UHFFFAOYSA-N	0	0	522.053	3.408	50	0		KGAARN
O=c1cc(CN2CCN(Cc3ccc(F)cc3)CC2)nc(N2CCN(Cc3ccccc3Cl)CC2)[nH]1	ZINC000035926842	554100932	/nfs/dbraw/zinc/10/09/32/554100932.db2.gz	URHPREQSTBTNKD-UHFFFAOYSA-N	0	0	511.045	3.202	50	0		KGAARN
COc1ccc([C@@H]2CC(c3cccs3)=NN2C(=O)CN(CCN2CCOCC2)C(=O)C2CCC2)cc1	ZINC000035946888	554103398	/nfs/dbraw/zinc/10/33/98/554103398.db2.gz	OZNCFGTZFKZLNN-DEOSSOPVSA-N	0	0	510.660	3.395	50	0		KGAARN
COc1ccc([C@H]2CC(c3cccs3)=NN2C(=O)CN(CCN2CCOCC2)C(=O)C2CCC2)cc1	ZINC000035946889	554103416	/nfs/dbraw/zinc/10/34/16/554103416.db2.gz	OZNCFGTZFKZLNN-XMMPIXPASA-N	0	0	510.660	3.395	50	0		KGAARN
COc1ccccc1[C@@H]1CC(c2ccc(F)cc2)=NN1C(=O)CN(CCN1CCOCC1)C(=O)C1CCC1	ZINC000035947160	554103799	/nfs/dbraw/zinc/10/37/99/554103799.db2.gz	UIUQNKGTISICFZ-SANMLTNESA-N	0	0	522.621	3.473	50	0		KGAARN
COc1ccccc1[C@H]1CC(c2ccc(F)cc2)=NN1C(=O)CN(CCN1CCOCC1)C(=O)C1CCC1	ZINC000035947161	554103973	/nfs/dbraw/zinc/10/39/73/554103973.db2.gz	UIUQNKGTISICFZ-AREMUKBSSA-N	0	0	522.621	3.473	50	0		KGAARN
COc1ccc([C@@H]2CC(c3cccs3)=NN2C(=O)CN(CCN2CCOCC2)C(=O)NC(C)C)cc1	ZINC000035947296	554104109	/nfs/dbraw/zinc/10/41/09/554104109.db2.gz	HMLZREYSQWMCTH-QHCPKHFHSA-N	0	0	513.664	3.187	50	0		KGAARN
COc1ccc([C@H]2CC(c3cccs3)=NN2C(=O)CN(CCN2CCOCC2)C(=O)NC(C)C)cc1	ZINC000035947297	554104118	/nfs/dbraw/zinc/10/41/18/554104118.db2.gz	HMLZREYSQWMCTH-HSZRJFAPSA-N	0	0	513.664	3.187	50	0		KGAARN
CCCNC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2cccs2)C[C@H]1c1ccc(OC)cc1	ZINC000035947298	554104007	/nfs/dbraw/zinc/10/40/07/554104007.db2.gz	ZUYAFFCIMYPGGG-QHCPKHFHSA-N	0	0	513.664	3.188	50	0		KGAARN
CCCNC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccc(OC)cc1	ZINC000035947299	554103984	/nfs/dbraw/zinc/10/39/84/554103984.db2.gz	ZUYAFFCIMYPGGG-HSZRJFAPSA-N	0	0	513.664	3.188	50	0		KGAARN
CC(C)NC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2ccc(F)cc2)C[C@H]1c1ccccc1F	ZINC000035947306	554104012	/nfs/dbraw/zinc/10/40/12/554104012.db2.gz	WWJMFXHCBFWKOK-VWLOTQADSA-N	0	0	513.589	3.395	50	0		KGAARN
CC(C)NC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2ccc(F)cc2)C[C@@H]1c1ccccc1F	ZINC000035947307	554104290	/nfs/dbraw/zinc/10/42/90/554104290.db2.gz	WWJMFXHCBFWKOK-RUZDIDTESA-N	0	0	513.589	3.395	50	0		KGAARN
CCCNC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2ccc(F)cc2)C[C@H]1c1ccccc1F	ZINC000035947308	554104224	/nfs/dbraw/zinc/10/42/24/554104224.db2.gz	JIIMOQVPLZIHFE-VWLOTQADSA-N	0	0	513.589	3.396	50	0		KGAARN
CCCNC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2ccc(F)cc2)C[C@@H]1c1ccccc1F	ZINC000035947309	554104296	/nfs/dbraw/zinc/10/42/96/554104296.db2.gz	JIIMOQVPLZIHFE-RUZDIDTESA-N	0	0	513.589	3.396	50	0		KGAARN
CC(C)NC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2cccs2)C[C@H]1c1ccccc1F	ZINC000035947312	554104288	/nfs/dbraw/zinc/10/42/88/554104288.db2.gz	XZWORIFYQYLJQQ-QFIPXVFZSA-N	0	0	501.628	3.317	50	0		KGAARN
CC(C)NC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccccc1F	ZINC000035947313	554104252	/nfs/dbraw/zinc/10/42/52/554104252.db2.gz	XZWORIFYQYLJQQ-JOCHJYFZSA-N	0	0	501.628	3.317	50	0		KGAARN
CCCNC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2cccs2)C[C@H]1c1ccccc1F	ZINC000035947314	554104235	/nfs/dbraw/zinc/10/42/35/554104235.db2.gz	WIUDXNBBACHNET-QFIPXVFZSA-N	0	0	501.628	3.319	50	0		KGAARN
CCCNC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccccc1F	ZINC000035947315	554104256	/nfs/dbraw/zinc/10/42/56/554104256.db2.gz	WIUDXNBBACHNET-JOCHJYFZSA-N	0	0	501.628	3.319	50	0		KGAARN
COCCN(CC(=O)N1N=C(c2ccccc2Cl)C[C@H]1c1cc(OC)ccc1OC)C(=O)COC	ZINC000035947544	554104393	/nfs/dbraw/zinc/10/43/93/554104393.db2.gz	OEYWRQMWOBURNQ-QFIPXVFZSA-N	0	0	503.983	3.156	50	0		KGAARN
COCCN(CC(=O)N1N=C(c2ccccc2Cl)C[C@@H]1c1cc(OC)ccc1OC)C(=O)COC	ZINC000035947545	554104453	/nfs/dbraw/zinc/10/44/53/554104453.db2.gz	OEYWRQMWOBURNQ-JOCHJYFZSA-N	0	0	503.983	3.156	50	0		KGAARN
COCCN(CC(=O)N1N=C(c2ccc(OC)cc2)C[C@H]1c1ccc2c(c1)OCO2)C(=O)c1ccco1	ZINC000035947823	554104892	/nfs/dbraw/zinc/10/48/92/554104892.db2.gz	JRRJZBGQQKCPLY-QFIPXVFZSA-N	0	0	505.527	3.483	50	0		KGAARN
COCCN(CC(=O)N1N=C(c2ccc(OC)cc2)C[C@@H]1c1ccc2c(c1)OCO2)C(=O)c1ccco1	ZINC000035947824	554104940	/nfs/dbraw/zinc/10/49/40/554104940.db2.gz	JRRJZBGQQKCPLY-JOCHJYFZSA-N	0	0	505.527	3.483	50	0		KGAARN
CCC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2cccs2)C[C@H]1c1ccc(OC)c(OC)c1	ZINC000035947913	554105184	/nfs/dbraw/zinc/10/51/84/554105184.db2.gz	QMOJCNHWCJZFIG-NRFANRHFSA-N	0	0	514.648	3.014	50	0		KGAARN
CCC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccc(OC)c(OC)c1	ZINC000035947914	554105175	/nfs/dbraw/zinc/10/51/75/554105175.db2.gz	QMOJCNHWCJZFIG-OAQYLSRUSA-N	0	0	514.648	3.014	50	0		KGAARN
COc1ccc([C@@H]2CC(c3cccs3)=NN2C(=O)CN(CCN2CCOCC2)C(=O)C2CC2)cc1OC	ZINC000035947915	554105172	/nfs/dbraw/zinc/10/51/72/554105172.db2.gz	AJVWSMOABXYCTI-QFIPXVFZSA-N	0	0	526.659	3.014	50	0		KGAARN
COc1ccc([C@H]2CC(c3cccs3)=NN2C(=O)CN(CCN2CCOCC2)C(=O)C2CC2)cc1OC	ZINC000035947916	554105426	/nfs/dbraw/zinc/10/54/26/554105426.db2.gz	AJVWSMOABXYCTI-JOCHJYFZSA-N	0	0	526.659	3.014	50	0		KGAARN
COc1ccccc1[C@@H]1CC(c2cccs2)=NN1C(=O)CN(CCN1CCOCC1)C(=O)C1CCC1	ZINC000035947921	554105438	/nfs/dbraw/zinc/10/54/38/554105438.db2.gz	LQLULISDFFZSKG-QHCPKHFHSA-N	0	0	510.660	3.395	50	0		KGAARN
COc1ccccc1[C@H]1CC(c2cccs2)=NN1C(=O)CN(CCN1CCOCC1)C(=O)C1CCC1	ZINC000035947922	554105510	/nfs/dbraw/zinc/10/55/10/554105510.db2.gz	LQLULISDFFZSKG-HSZRJFAPSA-N	0	0	510.660	3.395	50	0		KGAARN
COc1ccc(OC)c([C@@H]2CC(c3cccs3)=NN2C(=O)CN(CCN2CCOCC2)C(=O)C(C)C)c1	ZINC000035947975	554105477	/nfs/dbraw/zinc/10/54/77/554105477.db2.gz	RMWKLGIKUBEEFK-QHCPKHFHSA-N	0	0	528.675	3.260	50	0		KGAARN
COc1ccc(OC)c([C@H]2CC(c3cccs3)=NN2C(=O)CN(CCN2CCOCC2)C(=O)C(C)C)c1	ZINC000035947976	554105442	/nfs/dbraw/zinc/10/54/42/554105442.db2.gz	RMWKLGIKUBEEFK-HSZRJFAPSA-N	0	0	528.675	3.260	50	0		KGAARN
CCC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2cccs2)C[C@H]1c1cc(OC)ccc1OC	ZINC000035947977	554105455	/nfs/dbraw/zinc/10/54/55/554105455.db2.gz	VIXHCSVWDRXCHZ-QFIPXVFZSA-N	0	0	514.648	3.014	50	0		KGAARN
CCC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2cccs2)C[C@@H]1c1cc(OC)ccc1OC	ZINC000035947978	554105517	/nfs/dbraw/zinc/10/55/17/554105517.db2.gz	VIXHCSVWDRXCHZ-JOCHJYFZSA-N	0	0	514.648	3.014	50	0		KGAARN
COc1ccc(OC)c([C@@H]2CC(c3cccs3)=NN2C(=O)CN(CCN2CCOCC2)C(=O)C2CC2)c1	ZINC000035947979	554105466	/nfs/dbraw/zinc/10/54/66/554105466.db2.gz	AYQABCALCSWLEO-QHCPKHFHSA-N	0	0	526.659	3.014	50	0		KGAARN
COc1ccc(OC)c([C@H]2CC(c3cccs3)=NN2C(=O)CN(CCN2CCOCC2)C(=O)C2CC2)c1	ZINC000035947980	554105407	/nfs/dbraw/zinc/10/54/07/554105407.db2.gz	AYQABCALCSWLEO-HSZRJFAPSA-N	0	0	526.659	3.014	50	0		KGAARN
CC(C)C(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2ccc(F)cc2)C[C@H]1c1ccc2c(c1)OCO2	ZINC000035947985	554105719	/nfs/dbraw/zinc/10/57/19/554105719.db2.gz	YCMUCQSZAZOKCP-DEOSSOPVSA-N	0	0	524.593	3.049	50	0		KGAARN
CC(C)C(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2ccc(F)cc2)C[C@@H]1c1ccc2c(c1)OCO2	ZINC000035947986	554105688	/nfs/dbraw/zinc/10/56/88/554105688.db2.gz	YCMUCQSZAZOKCP-XMMPIXPASA-N	0	0	524.593	3.049	50	0		KGAARN
Cn1cccc1[C@@H]1CC(c2cccs2)=NN1C(=O)CN(CCN1CCOCC1)C(=O)c1cccs1	ZINC000035947995	554105722	/nfs/dbraw/zinc/10/57/22/554105722.db2.gz	GZZLOOQMZQYHOA-NRFANRHFSA-N	0	0	511.673	3.300	50	0		KGAARN
Cn1cccc1[C@H]1CC(c2cccs2)=NN1C(=O)CN(CCN1CCOCC1)C(=O)c1cccs1	ZINC000035947996	554105694	/nfs/dbraw/zinc/10/56/94/554105694.db2.gz	GZZLOOQMZQYHOA-OAQYLSRUSA-N	0	0	511.673	3.300	50	0		KGAARN
Cn1cccc1[C@@H]1CC(c2cccs2)=NN1C(=O)CN(CCN1CCOCC1)C(=O)c1ccccc1F	ZINC000035948001	554105747	/nfs/dbraw/zinc/10/57/47/554105747.db2.gz	CWZUFCJYCAZQQE-DEOSSOPVSA-N	0	0	523.634	3.378	50	0		KGAARN
Cn1cccc1[C@H]1CC(c2cccs2)=NN1C(=O)CN(CCN1CCOCC1)C(=O)c1ccccc1F	ZINC000035948002	554105741	/nfs/dbraw/zinc/10/57/41/554105741.db2.gz	CWZUFCJYCAZQQE-XMMPIXPASA-N	0	0	523.634	3.378	50	0		KGAARN
Cn1cccc1[C@@H]1CC(c2cccs2)=NN1C(=O)CN(CCN1CCOCC1)C(=O)c1cccc(F)c1	ZINC000035948003	554105710	/nfs/dbraw/zinc/10/57/10/554105710.db2.gz	DEQULUNFVHHNPX-DEOSSOPVSA-N	0	0	523.634	3.378	50	0		KGAARN
Cn1cccc1[C@H]1CC(c2cccs2)=NN1C(=O)CN(CCN1CCOCC1)C(=O)c1cccc(F)c1	ZINC000035948004	554105686	/nfs/dbraw/zinc/10/56/86/554105686.db2.gz	DEQULUNFVHHNPX-XMMPIXPASA-N	0	0	523.634	3.378	50	0		KGAARN
COc1ccc(C2=NN(C(=O)CN(CCN3CCOCC3)C(=O)C(C)C)[C@H](c3ccccc3OC)C2)cc1	ZINC000035948043	554105973	/nfs/dbraw/zinc/10/59/73/554105973.db2.gz	JQCCYGRFDHIMMI-SANMLTNESA-N	0	0	522.646	3.198	50	0		KGAARN
COc1ccc(C2=NN(C(=O)CN(CCN3CCOCC3)C(=O)C(C)C)[C@@H](c3ccccc3OC)C2)cc1	ZINC000035948044	554105944	/nfs/dbraw/zinc/10/59/44/554105944.db2.gz	JQCCYGRFDHIMMI-AREMUKBSSA-N	0	0	522.646	3.198	50	0		KGAARN
COc1ccc(C2=NN(C(=O)CN(CCN3CCOCC3)C(=O)C3CCC3)[C@H](c3ccccc3OC)C2)cc1	ZINC000035948045	554105980	/nfs/dbraw/zinc/10/59/80/554105980.db2.gz	PFIHELLZYONECA-MHZLTWQESA-N	0	0	534.657	3.342	50	0		KGAARN
COc1ccc(C2=NN(C(=O)CN(CCN3CCOCC3)C(=O)C3CCC3)[C@@H](c3ccccc3OC)C2)cc1	ZINC000035948046	554105995	/nfs/dbraw/zinc/10/59/95/554105995.db2.gz	PFIHELLZYONECA-HHHXNRCGSA-N	0	0	534.657	3.342	50	0		KGAARN
COc1ccc(C2=NN(C(=O)CN(CCN3CCOCC3)C(=O)c3ccco3)[C@H](c3ccccc3)C2)cc1	ZINC000035948053	554106034	/nfs/dbraw/zinc/10/60/34/554106034.db2.gz	SHKPUWCSSAZBJU-SANMLTNESA-N	0	0	516.598	3.441	50	0		KGAARN
COc1ccc(C2=NN(C(=O)CN(CCN3CCOCC3)C(=O)c3ccco3)[C@@H](c3ccccc3)C2)cc1	ZINC000035948054	554105940	/nfs/dbraw/zinc/10/59/40/554105940.db2.gz	SHKPUWCSSAZBJU-AREMUKBSSA-N	0	0	516.598	3.441	50	0		KGAARN
COc1ccc(C2=NN(C(=O)CN(CCN3CCOCC3)C(=O)C3CCC3)[C@H](c3ccccc3)C2)cc1	ZINC000035948059	554105934	/nfs/dbraw/zinc/10/59/34/554105934.db2.gz	SBPSRXKYIORJIB-MHZLTWQESA-N	0	0	504.631	3.334	50	0		KGAARN
COc1ccc(C2=NN(C(=O)CN(CCN3CCOCC3)C(=O)C3CCC3)[C@@H](c3ccccc3)C2)cc1	ZINC000035948060	554106003	/nfs/dbraw/zinc/10/60/03/554106003.db2.gz	SBPSRXKYIORJIB-HHHXNRCGSA-N	0	0	504.631	3.334	50	0		KGAARN
Cc1ccc(C2=NN(C(=O)CN(CCN3CCOCC3)C(=O)C3CC3)[C@H](c3ccc4c(c3)OCO4)C2)cc1C	ZINC000035948077	554106012	/nfs/dbraw/zinc/10/60/12/554106012.db2.gz	BMDHUPSCWUWUHC-SANMLTNESA-N	0	0	532.641	3.281	50	0		KGAARN
Cc1ccc(C2=NN(C(=O)CN(CCN3CCOCC3)C(=O)C3CC3)[C@@H](c3ccc4c(c3)OCO4)C2)cc1C	ZINC000035948078	554106023	/nfs/dbraw/zinc/10/60/23/554106023.db2.gz	BMDHUPSCWUWUHC-AREMUKBSSA-N	0	0	532.641	3.281	50	0		KGAARN
COc1ccc(C2=NN(C(=O)CN(CCN3CCOCC3)C(=O)C(C)C)[C@H](c3ccc(C)cc3)C2)cc1	ZINC000035948195	554106181	/nfs/dbraw/zinc/10/61/81/554106181.db2.gz	DILBWHGLENWDCB-MHZLTWQESA-N	0	0	506.647	3.498	50	0		KGAARN
COc1ccc(C2=NN(C(=O)CN(CCN3CCOCC3)C(=O)C(C)C)[C@@H](c3ccc(C)cc3)C2)cc1	ZINC000035948196	554106148	/nfs/dbraw/zinc/10/61/48/554106148.db2.gz	DILBWHGLENWDCB-HHHXNRCGSA-N	0	0	506.647	3.498	50	0		KGAARN
COc1ccc(C2=NN(C(=O)CN(CCN3CCOCC3)C(=O)C3CC3)[C@H](c3ccc(C)cc3)C2)cc1	ZINC000035948201	554106201	/nfs/dbraw/zinc/10/62/01/554106201.db2.gz	KRODJWXQPAKKPG-MHZLTWQESA-N	0	0	504.631	3.252	50	0		KGAARN
COc1ccc(C2=NN(C(=O)CN(CCN3CCOCC3)C(=O)C3CC3)[C@@H](c3ccc(C)cc3)C2)cc1	ZINC000035948202	554106172	/nfs/dbraw/zinc/10/61/72/554106172.db2.gz	KRODJWXQPAKKPG-HHHXNRCGSA-N	0	0	504.631	3.252	50	0		KGAARN
COc1ccc(C2=NN(C(=O)CN(CCN3CCOCC3)C(=O)c3ccco3)[C@H](c3ccco3)C2)cc1	ZINC000035948209	554106188	/nfs/dbraw/zinc/10/61/88/554106188.db2.gz	JEMFMKSHFXOBNS-QHCPKHFHSA-N	0	0	506.559	3.034	50	0		KGAARN
COc1ccc(C2=NN(C(=O)CN(CCN3CCOCC3)C(=O)c3ccco3)[C@@H](c3ccco3)C2)cc1	ZINC000035948210	554106194	/nfs/dbraw/zinc/10/61/94/554106194.db2.gz	JEMFMKSHFXOBNS-HSZRJFAPSA-N	0	0	506.559	3.034	50	0		KGAARN
CCNC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2ccc(OC)cc2)C[C@H]1c1ccc(C)cc1	ZINC000035948870	554106651	/nfs/dbraw/zinc/10/66/51/554106651.db2.gz	RASJPGYCVWWVPK-SANMLTNESA-N	0	0	507.635	3.045	50	0		KGAARN
CCNC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2ccc(OC)cc2)C[C@@H]1c1ccc(C)cc1	ZINC000035948871	554106644	/nfs/dbraw/zinc/10/66/44/554106644.db2.gz	RASJPGYCVWWVPK-AREMUKBSSA-N	0	0	507.635	3.045	50	0		KGAARN
COc1ccc(C2=NN(C(=O)CN(CCN3CCOCC3)C(=O)NC(C)C)[C@H](c3ccc(C)cc3)C2)cc1	ZINC000035948872	554106649	/nfs/dbraw/zinc/10/66/49/554106649.db2.gz	FHALFEMRAPRUSY-MHZLTWQESA-N	0	0	521.662	3.434	50	0		KGAARN
COc1ccc(C2=NN(C(=O)CN(CCN3CCOCC3)C(=O)NC(C)C)[C@@H](c3ccc(C)cc3)C2)cc1	ZINC000035948873	554106640	/nfs/dbraw/zinc/10/66/40/554106640.db2.gz	FHALFEMRAPRUSY-HHHXNRCGSA-N	0	0	521.662	3.434	50	0		KGAARN
CCCNC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2ccc(OC)cc2)C[C@H]1c1ccc(C)cc1	ZINC000035948874	554106646	/nfs/dbraw/zinc/10/66/46/554106646.db2.gz	GYJYBOAKNUKRGI-MHZLTWQESA-N	0	0	521.662	3.435	50	0		KGAARN
CCCNC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2ccc(OC)cc2)C[C@@H]1c1ccc(C)cc1	ZINC000035948875	554106616	/nfs/dbraw/zinc/10/66/16/554106616.db2.gz	GYJYBOAKNUKRGI-HHHXNRCGSA-N	0	0	521.662	3.435	50	0		KGAARN
COCCN(CC(=O)N1N=C(c2ccc(OC)cc2)C[C@H]1c1ccc(OC)c(OC)c1)C(=O)NC(C)C	ZINC000035949094	554106870	/nfs/dbraw/zinc/10/68/70/554106870.db2.gz	DCMBMKGNXGOUFC-QHCPKHFHSA-N	0	0	512.607	3.457	50	0		KGAARN
COCCN(CC(=O)N1N=C(c2ccc(OC)cc2)C[C@@H]1c1ccc(OC)c(OC)c1)C(=O)NC(C)C	ZINC000035949095	554106866	/nfs/dbraw/zinc/10/68/66/554106866.db2.gz	DCMBMKGNXGOUFC-HSZRJFAPSA-N	0	0	512.607	3.457	50	0		KGAARN
CCCNC(=O)N(CCOC)CC(=O)N1N=C(c2ccc(OC)cc2)C[C@H]1c1ccc(OC)c(OC)c1	ZINC000035949096	554106903	/nfs/dbraw/zinc/10/69/03/554106903.db2.gz	LPJJUYZFEARZJG-QHCPKHFHSA-N	0	0	512.607	3.458	50	0		KGAARN
CCCNC(=O)N(CCOC)CC(=O)N1N=C(c2ccc(OC)cc2)C[C@@H]1c1ccc(OC)c(OC)c1	ZINC000035949097	554106900	/nfs/dbraw/zinc/10/69/00/554106900.db2.gz	LPJJUYZFEARZJG-HSZRJFAPSA-N	0	0	512.607	3.458	50	0		KGAARN
CCNC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2cccs2)C[C@H]1c1ccccc1Cl	ZINC000035949160	554106917	/nfs/dbraw/zinc/10/69/17/554106917.db2.gz	DSCFUYHEKKMIRS-NRFANRHFSA-N	0	0	504.056	3.443	50	0		KGAARN
CCNC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccccc1Cl	ZINC000035949161	554106906	/nfs/dbraw/zinc/10/69/06/554106906.db2.gz	DSCFUYHEKKMIRS-OAQYLSRUSA-N	0	0	504.056	3.443	50	0		KGAARN
CCNC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2cccs2)C[C@H]1c1ccc(Cl)cc1	ZINC000035949168	554107068	/nfs/dbraw/zinc/10/70/68/554107068.db2.gz	YGCSLFQIDDCHPB-NRFANRHFSA-N	0	0	504.056	3.443	50	0		KGAARN
CCNC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccc(Cl)cc1	ZINC000035949169	554107070	/nfs/dbraw/zinc/10/70/70/554107070.db2.gz	YGCSLFQIDDCHPB-OAQYLSRUSA-N	0	0	504.056	3.443	50	0		KGAARN
CC(C)NC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2cccs2)C[C@H]1c1ccc(F)cc1	ZINC000035949176	554107045	/nfs/dbraw/zinc/10/70/45/554107045.db2.gz	JYUHDLGYIZHODX-QFIPXVFZSA-N	0	0	501.628	3.317	50	0		KGAARN
CC(C)NC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccc(F)cc1	ZINC000035949177	554107055	/nfs/dbraw/zinc/10/70/55/554107055.db2.gz	JYUHDLGYIZHODX-JOCHJYFZSA-N	0	0	501.628	3.317	50	0		KGAARN
CCCNC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2cccs2)C[C@H]1c1ccc(F)cc1	ZINC000035949178	554107046	/nfs/dbraw/zinc/10/70/46/554107046.db2.gz	JINJEBWLNJZCQJ-QFIPXVFZSA-N	0	0	501.628	3.319	50	0		KGAARN
CCCNC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccc(F)cc1	ZINC000035949179	554107064	/nfs/dbraw/zinc/10/70/64/554107064.db2.gz	JINJEBWLNJZCQJ-JOCHJYFZSA-N	0	0	501.628	3.319	50	0		KGAARN
COc1ccccc1[C@@H]1CC(c2cccs2)=NN1C(=O)CN(CCN1CCOCC1)C(=O)NC(C)C	ZINC000035949182	554107050	/nfs/dbraw/zinc/10/70/50/554107050.db2.gz	FTGLDWRBJNMQJF-QFIPXVFZSA-N	0	0	513.664	3.187	50	0		KGAARN
COc1ccccc1[C@H]1CC(c2cccs2)=NN1C(=O)CN(CCN1CCOCC1)C(=O)NC(C)C	ZINC000035949183	554107053	/nfs/dbraw/zinc/10/70/53/554107053.db2.gz	FTGLDWRBJNMQJF-JOCHJYFZSA-N	0	0	513.664	3.187	50	0		KGAARN
CCCNC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2cccs2)C[C@H]1c1ccccc1OC	ZINC000035949184	554107024	/nfs/dbraw/zinc/10/70/24/554107024.db2.gz	UMVKQSXQAALHAW-QFIPXVFZSA-N	0	0	513.664	3.188	50	0		KGAARN
CCCNC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccccc1OC	ZINC000035949185	554107073	/nfs/dbraw/zinc/10/70/73/554107073.db2.gz	UMVKQSXQAALHAW-JOCHJYFZSA-N	0	0	513.664	3.188	50	0		KGAARN
CCCNC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2ccccc2F)C[C@H]1c1ccc(F)cc1	ZINC000035949214	554107340	/nfs/dbraw/zinc/10/73/40/554107340.db2.gz	UFGGGBSZCFACAY-VWLOTQADSA-N	0	0	513.589	3.396	50	0		KGAARN
CCCNC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2ccccc2F)C[C@@H]1c1ccc(F)cc1	ZINC000035949215	554107322	/nfs/dbraw/zinc/10/73/22/554107322.db2.gz	UFGGGBSZCFACAY-RUZDIDTESA-N	0	0	513.589	3.396	50	0		KGAARN
COc1ccc(C2=NN(C(=O)CN(CCN3CCOCC3)C(=O)NC(C)C)[C@H](c3ccc(F)cc3)C2)cc1	ZINC000035949218	554107295	/nfs/dbraw/zinc/10/72/95/554107295.db2.gz	SQGPFFVUWAIPED-SANMLTNESA-N	0	0	525.625	3.264	50	0		KGAARN
COc1ccc(C2=NN(C(=O)CN(CCN3CCOCC3)C(=O)NC(C)C)[C@@H](c3ccc(F)cc3)C2)cc1	ZINC000035949219	554107252	/nfs/dbraw/zinc/10/72/52/554107252.db2.gz	SQGPFFVUWAIPED-AREMUKBSSA-N	0	0	525.625	3.264	50	0		KGAARN
COc1ccc(C2=NN(C(=O)CN(CCN3CCOCC3)C(=O)NC(C)C)[C@H](c3ccccc3OC)C2)cc1	ZINC000035949224	554107263	/nfs/dbraw/zinc/10/72/63/554107263.db2.gz	YWQCJYLANPEPEB-SANMLTNESA-N	0	0	537.661	3.134	50	0		KGAARN
COc1ccc(C2=NN(C(=O)CN(CCN3CCOCC3)C(=O)NC(C)C)[C@@H](c3ccccc3OC)C2)cc1	ZINC000035949225	554107319	/nfs/dbraw/zinc/10/73/19/554107319.db2.gz	YWQCJYLANPEPEB-AREMUKBSSA-N	0	0	537.661	3.134	50	0		KGAARN
CCCNC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2ccc(OC)cc2)C[C@H]1c1ccccc1OC	ZINC000035949226	554107346	/nfs/dbraw/zinc/10/73/46/554107346.db2.gz	UVRTXAVLBPNRMZ-SANMLTNESA-N	0	0	537.661	3.135	50	0		KGAARN
CCCNC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2ccc(OC)cc2)C[C@@H]1c1ccccc1OC	ZINC000035949227	554107311	/nfs/dbraw/zinc/10/73/11/554107311.db2.gz	UVRTXAVLBPNRMZ-AREMUKBSSA-N	0	0	537.661	3.135	50	0		KGAARN
COc1ccc(C2=NN(C(=O)CN(CCN3CCOCC3)C(=O)NC(C)C)[C@H](c3ccccc3)C2)cc1	ZINC000035949232	554107327	/nfs/dbraw/zinc/10/73/27/554107327.db2.gz	RERZUTASPQXDLA-SANMLTNESA-N	0	0	507.635	3.125	50	0		KGAARN
COc1ccc(C2=NN(C(=O)CN(CCN3CCOCC3)C(=O)NC(C)C)[C@@H](c3ccccc3)C2)cc1	ZINC000035949233	554107300	/nfs/dbraw/zinc/10/73/00/554107300.db2.gz	RERZUTASPQXDLA-AREMUKBSSA-N	0	0	507.635	3.125	50	0		KGAARN
CCCNC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2ccc(OC)cc2)C[C@H]1c1ccccc1	ZINC000035949234	554107324	/nfs/dbraw/zinc/10/73/24/554107324.db2.gz	ODZDFYJLJRLETG-SANMLTNESA-N	0	0	507.635	3.127	50	0		KGAARN
CCCNC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2ccc(OC)cc2)C[C@@H]1c1ccccc1	ZINC000035949235	554107335	/nfs/dbraw/zinc/10/73/35/554107335.db2.gz	ODZDFYJLJRLETG-AREMUKBSSA-N	0	0	507.635	3.127	50	0		KGAARN
CCNC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2ccc(C)c(C)c2)C[C@H]1c1ccc2c(c1)OCO2	ZINC000035949236	554107271	/nfs/dbraw/zinc/10/72/71/554107271.db2.gz	PYSCLTOHGBEFOB-VWLOTQADSA-N	0	0	535.645	3.074	50	0		KGAARN
CCNC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2ccc(C)c(C)c2)C[C@@H]1c1ccc2c(c1)OCO2	ZINC000035949237	554107275	/nfs/dbraw/zinc/10/72/75/554107275.db2.gz	PYSCLTOHGBEFOB-RUZDIDTESA-N	0	0	535.645	3.074	50	0		KGAARN
COc1ccc(C(=O)N(CCN2CCOCC2)CC(=O)N2N=C(c3ccco3)C[C@H]2c2ccco2)cc1	ZINC000035949268	554107247	/nfs/dbraw/zinc/10/72/47/554107247.db2.gz	MUAGUBMKTDKGPG-QHCPKHFHSA-N	0	0	506.559	3.034	50	0		KGAARN
COc1ccc(C(=O)N(CCN2CCOCC2)CC(=O)N2N=C(c3ccco3)C[C@@H]2c2ccco2)cc1	ZINC000035949269	554107316	/nfs/dbraw/zinc/10/73/16/554107316.db2.gz	MUAGUBMKTDKGPG-HSZRJFAPSA-N	0	0	506.559	3.034	50	0		KGAARN
COCC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2ccc(C)c(C)c2)C[C@H]1c1ccc(Cl)cc1	ZINC000035949428	554107545	/nfs/dbraw/zinc/10/75/45/554107545.db2.gz	PFKDXYMDLZFFKD-SANMLTNESA-N	0	0	527.065	3.442	50	0		KGAARN
COCC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2ccc(C)c(C)c2)C[C@@H]1c1ccc(Cl)cc1	ZINC000035949429	554107557	/nfs/dbraw/zinc/10/75/57/554107557.db2.gz	PFKDXYMDLZFFKD-AREMUKBSSA-N	0	0	527.065	3.442	50	0		KGAARN
CCNC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2ccc(C)c(C)c2)C[C@H]1c1ccc(F)cc1	ZINC000035949518	554107863	/nfs/dbraw/zinc/10/78/63/554107863.db2.gz	UEAZTXGUAOESIL-SANMLTNESA-N	0	0	509.626	3.484	50	0		KGAARN
CCNC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2ccc(C)c(C)c2)C[C@@H]1c1ccc(F)cc1	ZINC000035949519	554107912	/nfs/dbraw/zinc/10/79/12/554107912.db2.gz	UEAZTXGUAOESIL-AREMUKBSSA-N	0	0	509.626	3.484	50	0		KGAARN
CCS(=O)(=O)N(CCOC)CC(=O)N(Cc1cccc(F)c1)C1CCN(C(=O)c2ccc(C)cc2)CC1	ZINC000035958198	554108100	/nfs/dbraw/zinc/10/81/00/554108100.db2.gz	ZONMBWGRUZTNNA-UHFFFAOYSA-N	0	0	533.666	3.066	50	0		KGAARN
CCC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2ccc(OC)cc2OC)C[C@H]1c1ccc(C)cc1	ZINC000035960463	554108339	/nfs/dbraw/zinc/10/83/39/554108339.db2.gz	AYGGZMYFIGXATM-SANMLTNESA-N	0	0	522.646	3.261	50	0		KGAARN
CCC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2ccc(OC)cc2OC)C[C@@H]1c1ccc(C)cc1	ZINC000035960464	554108326	/nfs/dbraw/zinc/10/83/26/554108326.db2.gz	AYGGZMYFIGXATM-AREMUKBSSA-N	0	0	522.646	3.261	50	0		KGAARN
COc1ccc(C2=NN(C(=O)CN(CCN3CCOCC3)C(=O)C3CC3)[C@H](c3ccc(C)cc3)C2)c(OC)c1	ZINC000035960465	554108345	/nfs/dbraw/zinc/10/83/45/554108345.db2.gz	DGYHVXWBMXUNLE-MHZLTWQESA-N	0	0	534.657	3.261	50	0		KGAARN
COc1ccc(C2=NN(C(=O)CN(CCN3CCOCC3)C(=O)C3CC3)[C@@H](c3ccc(C)cc3)C2)c(OC)c1	ZINC000035960466	554108363	/nfs/dbraw/zinc/10/83/63/554108363.db2.gz	DGYHVXWBMXUNLE-HHHXNRCGSA-N	0	0	534.657	3.261	50	0		KGAARN
COc1ccc(C2=NN(C(=O)CN(CCN3CCOCC3)C(=O)C(C)C)[C@H](c3ccc(OC)cc3)C2)cc1	ZINC000035960467	554108365	/nfs/dbraw/zinc/10/83/65/554108365.db2.gz	NERRVQOHIAJYBW-MHZLTWQESA-N	0	0	522.646	3.198	50	0		KGAARN
COc1ccc(C2=NN(C(=O)CN(CCN3CCOCC3)C(=O)C(C)C)[C@@H](c3ccc(OC)cc3)C2)cc1	ZINC000035960468	554108341	/nfs/dbraw/zinc/10/83/41/554108341.db2.gz	NERRVQOHIAJYBW-HHHXNRCGSA-N	0	0	522.646	3.198	50	0		KGAARN
COc1ccc(C2=NN(C(=O)CN(CCN3CCOCC3)C(=O)C3CCC3)[C@H](c3ccc(OC)cc3)C2)cc1	ZINC000035960470	554108370	/nfs/dbraw/zinc/10/83/70/554108370.db2.gz	PFXKDSWICHDWST-NDEPHWFRSA-N	0	0	534.657	3.342	50	0		KGAARN
COc1ccc(C2=NN(C(=O)CN(CCN3CCOCC3)C(=O)C3CCC3)[C@@H](c3ccc(OC)cc3)C2)cc1	ZINC000035960471	554108331	/nfs/dbraw/zinc/10/83/31/554108331.db2.gz	PFXKDSWICHDWST-MUUNZHRXSA-N	0	0	534.657	3.342	50	0		KGAARN
COc1ccc(C2=NN(C(=O)CN(CCN3CCOCC3)C(=O)NC(C)C)[C@H](c3ccc(OC)cc3)C2)cc1	ZINC000035960667	554108527	/nfs/dbraw/zinc/10/85/27/554108527.db2.gz	YSEGAILRMDYHKX-MHZLTWQESA-N	0	0	537.661	3.134	50	0		KGAARN
COc1ccc(C2=NN(C(=O)CN(CCN3CCOCC3)C(=O)NC(C)C)[C@@H](c3ccc(OC)cc3)C2)cc1	ZINC000035960668	554108590	/nfs/dbraw/zinc/10/85/90/554108590.db2.gz	YSEGAILRMDYHKX-HHHXNRCGSA-N	0	0	537.661	3.134	50	0		KGAARN
COc1ccccc1[C@@H]1CC(c2ccccc2F)=NN1C(=O)CN(CCN1CCOCC1)C(=O)C(C)C	ZINC000035961150	554109381	/nfs/dbraw/zinc/10/93/81/554109381.db2.gz	OONFSWXOHLDVTH-VWLOTQADSA-N	0	0	510.610	3.329	50	0		KGAARN
COc1ccccc1[C@H]1CC(c2ccccc2F)=NN1C(=O)CN(CCN1CCOCC1)C(=O)C(C)C	ZINC000035961151	554109462	/nfs/dbraw/zinc/10/94/62/554109462.db2.gz	OONFSWXOHLDVTH-RUZDIDTESA-N	0	0	510.610	3.329	50	0		KGAARN
COc1ccccc1[C@@H]1CC(c2ccccc2F)=NN1C(=O)CN(CCN1CCOCC1)C(=O)C1CCC1	ZINC000035961152	554109466	/nfs/dbraw/zinc/10/94/66/554109466.db2.gz	STOWTZRDDUBVFH-SANMLTNESA-N	0	0	522.621	3.473	50	0		KGAARN
COc1ccccc1[C@H]1CC(c2ccccc2F)=NN1C(=O)CN(CCN1CCOCC1)C(=O)C1CCC1	ZINC000035961153	554109436	/nfs/dbraw/zinc/10/94/36/554109436.db2.gz	STOWTZRDDUBVFH-AREMUKBSSA-N	0	0	522.621	3.473	50	0		KGAARN
COc1ccccc1[C@@H]1CC(c2ccccc2F)=NN1C(=O)CN(CCN1CCOCC1)C(=O)C1CC1	ZINC000035961156	554109469	/nfs/dbraw/zinc/10/94/69/554109469.db2.gz	FQQCDSGRLMRDQZ-VWLOTQADSA-N	0	0	508.594	3.083	50	0		KGAARN
COc1ccccc1[C@H]1CC(c2ccccc2F)=NN1C(=O)CN(CCN1CCOCC1)C(=O)C1CC1	ZINC000035961157	554109419	/nfs/dbraw/zinc/10/94/19/554109419.db2.gz	FQQCDSGRLMRDQZ-RUZDIDTESA-N	0	0	508.594	3.083	50	0		KGAARN
CCCNC(=O)N(CCOC)CC(=O)N1N=C(c2ccc(OC)cc2OC)C[C@H]1c1ccc(OC)cc1	ZINC000035961168	554109367	/nfs/dbraw/zinc/10/93/67/554109367.db2.gz	FQPOKVPEQZRYMT-DEOSSOPVSA-N	0	0	512.607	3.458	50	0		KGAARN
CCCNC(=O)N(CCOC)CC(=O)N1N=C(c2ccc(OC)cc2OC)C[C@@H]1c1ccc(OC)cc1	ZINC000035961169	554109400	/nfs/dbraw/zinc/10/94/00/554109400.db2.gz	FQPOKVPEQZRYMT-XMMPIXPASA-N	0	0	512.607	3.458	50	0		KGAARN
COc1ccccc1[C@@H]1CC(c2ccccc2F)=NN1C(=O)CN(CCN1CCOCC1)C(=O)NC(C)C	ZINC000035961228	554109634	/nfs/dbraw/zinc/10/96/34/554109634.db2.gz	CEKUFOMDZYKOEO-VWLOTQADSA-N	0	0	525.625	3.264	50	0		KGAARN
COc1ccccc1[C@H]1CC(c2ccccc2F)=NN1C(=O)CN(CCN1CCOCC1)C(=O)NC(C)C	ZINC000035961229	554109705	/nfs/dbraw/zinc/10/97/05/554109705.db2.gz	CEKUFOMDZYKOEO-RUZDIDTESA-N	0	0	525.625	3.264	50	0		KGAARN
CCCNC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2ccccc2F)C[C@H]1c1ccccc1OC	ZINC000035961230	554109618	/nfs/dbraw/zinc/10/96/18/554109618.db2.gz	ZVXNMUAPSIBGRC-VWLOTQADSA-N	0	0	525.625	3.266	50	0		KGAARN
CCCNC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2ccccc2F)C[C@@H]1c1ccccc1OC	ZINC000035961231	554109679	/nfs/dbraw/zinc/10/96/79/554109679.db2.gz	ZVXNMUAPSIBGRC-RUZDIDTESA-N	0	0	525.625	3.266	50	0		KGAARN
CCNC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2ccc(C)c(C)c2)C[C@H]1c1ccccc1OC	ZINC000035961328	554109588	/nfs/dbraw/zinc/10/95/88/554109588.db2.gz	FXMWPWJCOONEFN-SANMLTNESA-N	0	0	521.662	3.353	50	0		KGAARN
CCNC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2ccc(C)c(C)c2)C[C@@H]1c1ccccc1OC	ZINC000035961329	554109911	/nfs/dbraw/zinc/10/99/11/554109911.db2.gz	FXMWPWJCOONEFN-AREMUKBSSA-N	0	0	521.662	3.353	50	0		KGAARN
CC(C)NC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2ccccc2F)C[C@H]1c1ccccc1F	ZINC000035961735	554110184	/nfs/dbraw/zinc/11/01/84/554110184.db2.gz	AQWOTMITGBSKQA-VWLOTQADSA-N	0	0	513.589	3.395	50	0		KGAARN
CC(C)NC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2ccccc2F)C[C@@H]1c1ccccc1F	ZINC000035961736	554110126	/nfs/dbraw/zinc/11/01/26/554110126.db2.gz	AQWOTMITGBSKQA-RUZDIDTESA-N	0	0	513.589	3.395	50	0		KGAARN
CCCNC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2ccccc2F)C[C@H]1c1ccccc1F	ZINC000035961737	554110177	/nfs/dbraw/zinc/11/01/77/554110177.db2.gz	OBUXOTFUALFCGI-VWLOTQADSA-N	0	0	513.589	3.396	50	0		KGAARN
CCCNC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2ccccc2F)C[C@@H]1c1ccccc1F	ZINC000035961738	554110214	/nfs/dbraw/zinc/11/02/14/554110214.db2.gz	OBUXOTFUALFCGI-RUZDIDTESA-N	0	0	513.589	3.396	50	0		KGAARN
CC(C)NC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2ccccc2F)C[C@H]1c1cccs1	ZINC000035961783	554110204	/nfs/dbraw/zinc/11/02/04/554110204.db2.gz	QPABODNTZRXCRV-QFIPXVFZSA-N	0	0	501.628	3.317	50	0		KGAARN
CC(C)NC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2ccccc2F)C[C@@H]1c1cccs1	ZINC000035961784	554110428	/nfs/dbraw/zinc/11/04/28/554110428.db2.gz	QPABODNTZRXCRV-JOCHJYFZSA-N	0	0	501.628	3.317	50	0		KGAARN
CCCNC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2ccccc2F)C[C@H]1c1cccs1	ZINC000035961785	554110420	/nfs/dbraw/zinc/11/04/20/554110420.db2.gz	IIWRUYASWUVOBZ-QFIPXVFZSA-N	0	0	501.628	3.319	50	0		KGAARN
CCCNC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2ccccc2F)C[C@@H]1c1cccs1	ZINC000035961786	554110386	/nfs/dbraw/zinc/11/03/86/554110386.db2.gz	IIWRUYASWUVOBZ-JOCHJYFZSA-N	0	0	501.628	3.319	50	0		KGAARN
COc1ccc(C2=NN(C(=O)CN(CCN3CCOCC3)C(=O)C(C)C)[C@H](c3ccccc3)C2)c(OC)c1	ZINC000035961883	554110390	/nfs/dbraw/zinc/11/03/90/554110390.db2.gz	PCVDJYNMQHQCMM-SANMLTNESA-N	0	0	522.646	3.198	50	0		KGAARN
COc1ccc(C2=NN(C(=O)CN(CCN3CCOCC3)C(=O)C(C)C)[C@@H](c3ccccc3)C2)c(OC)c1	ZINC000035961884	554110395	/nfs/dbraw/zinc/11/03/95/554110395.db2.gz	PCVDJYNMQHQCMM-AREMUKBSSA-N	0	0	522.646	3.198	50	0		KGAARN
CCCNC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2ccc(OC)cc2OC)C[C@H]1c1ccccc1	ZINC000035961893	554110403	/nfs/dbraw/zinc/11/04/03/554110403.db2.gz	SMAPVVQZORCHRT-SANMLTNESA-N	0	0	537.661	3.135	50	0		KGAARN
CCCNC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2ccc(OC)cc2OC)C[C@@H]1c1ccccc1	ZINC000035961894	554110425	/nfs/dbraw/zinc/11/04/25/554110425.db2.gz	SMAPVVQZORCHRT-AREMUKBSSA-N	0	0	537.661	3.135	50	0		KGAARN
COc1cccc(C2=NN(C(=O)CN(CCN3CCOCC3)C(=O)C(C)C)[C@H](c3ccc(C)cc3)C2)c1	ZINC000035962019	554110679	/nfs/dbraw/zinc/11/06/79/554110679.db2.gz	ZMRCBGFBAXBKQH-MHZLTWQESA-N	0	0	506.647	3.498	50	0		KGAARN
COc1cccc(C2=NN(C(=O)CN(CCN3CCOCC3)C(=O)C(C)C)[C@@H](c3ccc(C)cc3)C2)c1	ZINC000035962020	554110629	/nfs/dbraw/zinc/11/06/29/554110629.db2.gz	ZMRCBGFBAXBKQH-HHHXNRCGSA-N	0	0	506.647	3.498	50	0		KGAARN
COc1cccc(C2=NN(C(=O)CN(CCN3CCOCC3)C(=O)C3CC3)[C@H](c3ccc(C)cc3)C2)c1	ZINC000035962025	554110722	/nfs/dbraw/zinc/11/07/22/554110722.db2.gz	GJCUAAUZJKOAHX-MHZLTWQESA-N	0	0	504.631	3.252	50	0		KGAARN
COc1cccc(C2=NN(C(=O)CN(CCN3CCOCC3)C(=O)C3CC3)[C@@H](c3ccc(C)cc3)C2)c1	ZINC000035962026	554110671	/nfs/dbraw/zinc/11/06/71/554110671.db2.gz	GJCUAAUZJKOAHX-HHHXNRCGSA-N	0	0	504.631	3.252	50	0		KGAARN
COc1ccc([C@@H]2CC(c3cccc(OC)c3)=NN2C(=O)CN(CCN2CCOCC2)C(=O)C2CCC2)cc1	ZINC000035962033	554110657	/nfs/dbraw/zinc/11/06/57/554110657.db2.gz	SKMKXIDWRCKGKI-NDEPHWFRSA-N	0	0	534.657	3.342	50	0		KGAARN
COc1ccc([C@H]2CC(c3cccc(OC)c3)=NN2C(=O)CN(CCN2CCOCC2)C(=O)C2CCC2)cc1	ZINC000035962034	554110633	/nfs/dbraw/zinc/11/06/33/554110633.db2.gz	SKMKXIDWRCKGKI-MUUNZHRXSA-N	0	0	534.657	3.342	50	0		KGAARN
COc1cccc(C2=NN(C(=O)CN(CCN3CCOCC3)C(=O)C3CCC3)[C@H](c3ccccc3F)C2)c1	ZINC000035962041	554110624	/nfs/dbraw/zinc/11/06/24/554110624.db2.gz	VNETZOMKNXNBBF-MHZLTWQESA-N	0	0	522.621	3.473	50	0		KGAARN
COc1cccc(C2=NN(C(=O)CN(CCN3CCOCC3)C(=O)C3CCC3)[C@@H](c3ccccc3F)C2)c1	ZINC000035962042	554110640	/nfs/dbraw/zinc/11/06/40/554110640.db2.gz	VNETZOMKNXNBBF-HHHXNRCGSA-N	0	0	522.621	3.473	50	0		KGAARN
COc1cccc(C2=NN(C(=O)CN(CCN3CCOCC3)C(=O)C3CCC3)[C@H](c3ccc(F)cc3)C2)c1	ZINC000035962947	554111270	/nfs/dbraw/zinc/11/12/70/554111270.db2.gz	CJZOVMFUQKPITB-MHZLTWQESA-N	0	0	522.621	3.473	50	0		KGAARN
COc1cccc(C2=NN(C(=O)CN(CCN3CCOCC3)C(=O)C3CCC3)[C@@H](c3ccc(F)cc3)C2)c1	ZINC000035962950	554111268	/nfs/dbraw/zinc/11/12/68/554111268.db2.gz	CJZOVMFUQKPITB-HHHXNRCGSA-N	0	0	522.621	3.473	50	0		KGAARN
COc1cccc(C2=NN(C(=O)CN(CCN3CCOCC3)C(=O)C(C)C)[C@H](c3ccccc3OC)C2)c1	ZINC000035963001	554111284	/nfs/dbraw/zinc/11/12/84/554111284.db2.gz	FQGOAXYHCSWAJR-SANMLTNESA-N	0	0	522.646	3.198	50	0		KGAARN
COc1cccc(C2=NN(C(=O)CN(CCN3CCOCC3)C(=O)C(C)C)[C@@H](c3ccccc3OC)C2)c1	ZINC000035963003	554111290	/nfs/dbraw/zinc/11/12/90/554111290.db2.gz	FQGOAXYHCSWAJR-AREMUKBSSA-N	0	0	522.646	3.198	50	0		KGAARN
COc1cccc(C2=NN(C(=O)CN(CCN3CCOCC3)C(=O)C3CCC3)[C@H](c3ccccc3OC)C2)c1	ZINC000035963005	554111280	/nfs/dbraw/zinc/11/12/80/554111280.db2.gz	LHZQSKXWCHICLO-MHZLTWQESA-N	0	0	534.657	3.342	50	0		KGAARN
COc1cccc(C2=NN(C(=O)CN(CCN3CCOCC3)C(=O)C3CCC3)[C@@H](c3ccccc3OC)C2)c1	ZINC000035963008	554111313	/nfs/dbraw/zinc/11/13/13/554111313.db2.gz	LHZQSKXWCHICLO-HHHXNRCGSA-N	0	0	534.657	3.342	50	0		KGAARN
COc1cccc(C2=NN(C(=O)CN(CCN3CCOCC3)C(=O)C3CCC3)[C@H](c3ccccc3)C2)c1	ZINC000035963032	554111305	/nfs/dbraw/zinc/11/13/05/554111305.db2.gz	MVIMFQAXXXXSPC-MHZLTWQESA-N	0	0	504.631	3.334	50	0		KGAARN
COc1cccc(C2=NN(C(=O)CN(CCN3CCOCC3)C(=O)C3CCC3)[C@@H](c3ccccc3)C2)c1	ZINC000035963035	554111299	/nfs/dbraw/zinc/11/12/99/554111299.db2.gz	MVIMFQAXXXXSPC-HHHXNRCGSA-N	0	0	504.631	3.334	50	0		KGAARN
CCNC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2cccc(OC)c2)C[C@H]1c1ccc(C)cc1	ZINC000035963156	554111267	/nfs/dbraw/zinc/11/12/67/554111267.db2.gz	DRMMMUPTCLBOHB-SANMLTNESA-N	0	0	507.635	3.045	50	0		KGAARN
CCNC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2cccc(OC)c2)C[C@@H]1c1ccc(C)cc1	ZINC000035963158	554111292	/nfs/dbraw/zinc/11/12/92/554111292.db2.gz	DRMMMUPTCLBOHB-AREMUKBSSA-N	0	0	507.635	3.045	50	0		KGAARN
COc1cccc(C2=NN(C(=O)CN(CCN3CCOCC3)C(=O)NC(C)C)[C@H](c3ccc(C)cc3)C2)c1	ZINC000035963160	554111307	/nfs/dbraw/zinc/11/13/07/554111307.db2.gz	GEAQTEWWSGTUKA-MHZLTWQESA-N	0	0	521.662	3.434	50	0		KGAARN
COc1cccc(C2=NN(C(=O)CN(CCN3CCOCC3)C(=O)NC(C)C)[C@@H](c3ccc(C)cc3)C2)c1	ZINC000035963162	554111571	/nfs/dbraw/zinc/11/15/71/554111571.db2.gz	GEAQTEWWSGTUKA-HHHXNRCGSA-N	0	0	521.662	3.434	50	0		KGAARN
CCCNC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2cccc(OC)c2)C[C@H]1c1ccc(C)cc1	ZINC000035963163	554111564	/nfs/dbraw/zinc/11/15/64/554111564.db2.gz	WVUQKMFNSYAGDI-MHZLTWQESA-N	0	0	521.662	3.435	50	0		KGAARN
CCCNC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2cccc(OC)c2)C[C@@H]1c1ccc(C)cc1	ZINC000035963165	554111525	/nfs/dbraw/zinc/11/15/25/554111525.db2.gz	WVUQKMFNSYAGDI-HHHXNRCGSA-N	0	0	521.662	3.435	50	0		KGAARN
CCCNC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2cccc(OC)c2)C[C@H]1c1ccc(OC)cc1	ZINC000035963174	554111505	/nfs/dbraw/zinc/11/15/05/554111505.db2.gz	GZCHUINBPXQIRU-MHZLTWQESA-N	0	0	537.661	3.135	50	0		KGAARN
CCCNC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2cccc(OC)c2)C[C@@H]1c1ccc(OC)cc1	ZINC000035963176	554111509	/nfs/dbraw/zinc/11/15/09/554111509.db2.gz	GZCHUINBPXQIRU-HHHXNRCGSA-N	0	0	537.661	3.135	50	0		KGAARN
COc1cccc(C2=NN(C(=O)CN(CCN3CCOCC3)C(=O)NC(C)C)[C@H](c3ccccc3F)C2)c1	ZINC000035963177	554111490	/nfs/dbraw/zinc/11/14/90/554111490.db2.gz	GJKLNRWBZRHIOD-SANMLTNESA-N	0	0	525.625	3.264	50	0		KGAARN
COc1cccc(C2=NN(C(=O)CN(CCN3CCOCC3)C(=O)NC(C)C)[C@@H](c3ccccc3F)C2)c1	ZINC000035963179	554111513	/nfs/dbraw/zinc/11/15/13/554111513.db2.gz	GJKLNRWBZRHIOD-AREMUKBSSA-N	0	0	525.625	3.264	50	0		KGAARN
CCCNC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2cccc(OC)c2)C[C@H]1c1ccccc1F	ZINC000035963181	554111528	/nfs/dbraw/zinc/11/15/28/554111528.db2.gz	MSBDEPANAOUBGI-SANMLTNESA-N	0	0	525.625	3.266	50	0		KGAARN
CCCNC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2cccc(OC)c2)C[C@@H]1c1ccccc1F	ZINC000035963182	554111495	/nfs/dbraw/zinc/11/14/95/554111495.db2.gz	MSBDEPANAOUBGI-AREMUKBSSA-N	0	0	525.625	3.266	50	0		KGAARN
COc1cccc(C2=NN(C(=O)CN(CCN3CCOCC3)C(=O)NC(C)C)[C@H](c3ccc(F)cc3)C2)c1	ZINC000035963521	554111793	/nfs/dbraw/zinc/11/17/93/554111793.db2.gz	MJYBJOIZNSKOPD-SANMLTNESA-N	0	0	525.625	3.264	50	0		KGAARN
COc1cccc(C2=NN(C(=O)CN(CCN3CCOCC3)C(=O)NC(C)C)[C@@H](c3ccc(F)cc3)C2)c1	ZINC000035963523	554111779	/nfs/dbraw/zinc/11/17/79/554111779.db2.gz	MJYBJOIZNSKOPD-AREMUKBSSA-N	0	0	525.625	3.264	50	0		KGAARN
CCCNC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2cccc(OC)c2)C[C@H]1c1ccc(F)cc1	ZINC000035963525	554111807	/nfs/dbraw/zinc/11/18/07/554111807.db2.gz	JHCAAKWBFSQTSW-SANMLTNESA-N	0	0	525.625	3.266	50	0		KGAARN
CCCNC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2cccc(OC)c2)C[C@@H]1c1ccc(F)cc1	ZINC000035963527	554111791	/nfs/dbraw/zinc/11/17/91/554111791.db2.gz	JHCAAKWBFSQTSW-AREMUKBSSA-N	0	0	525.625	3.266	50	0		KGAARN
CCCNC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2cccc(OC)c2)C[C@H]1c1ccccc1OC	ZINC000035963553	554111771	/nfs/dbraw/zinc/11/17/71/554111771.db2.gz	HKUYLZZWDAYXCN-SANMLTNESA-N	0	0	537.661	3.135	50	0		KGAARN
CCCNC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2cccc(OC)c2)C[C@@H]1c1ccccc1OC	ZINC000035963556	554111801	/nfs/dbraw/zinc/11/18/01/554111801.db2.gz	HKUYLZZWDAYXCN-AREMUKBSSA-N	0	0	537.661	3.135	50	0		KGAARN
COc1cccc(C2=NN(C(=O)CN(CCN3CCOCC3)C(=O)NC(C)C)[C@H](c3ccccc3)C2)c1	ZINC000035963563	554111783	/nfs/dbraw/zinc/11/17/83/554111783.db2.gz	MFTIDRAAEGWTEL-SANMLTNESA-N	0	0	507.635	3.125	50	0		KGAARN
COc1cccc(C2=NN(C(=O)CN(CCN3CCOCC3)C(=O)NC(C)C)[C@@H](c3ccccc3)C2)c1	ZINC000035963565	554111767	/nfs/dbraw/zinc/11/17/67/554111767.db2.gz	MFTIDRAAEGWTEL-AREMUKBSSA-N	0	0	507.635	3.125	50	0		KGAARN
CCCNC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2cccc(OC)c2)C[C@H]1c1ccccc1	ZINC000035963567	554111797	/nfs/dbraw/zinc/11/17/97/554111797.db2.gz	SDNZYBYVUWRQHQ-SANMLTNESA-N	0	0	507.635	3.127	50	0		KGAARN
CCCNC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2cccc(OC)c2)C[C@@H]1c1ccccc1	ZINC000035963569	554112040	/nfs/dbraw/zinc/11/20/40/554112040.db2.gz	SDNZYBYVUWRQHQ-AREMUKBSSA-N	0	0	507.635	3.127	50	0		KGAARN
COCCN(CC(=O)N1N=C(c2cccc(OC)c2)C[C@H]1c1cc(OC)ccc1OC)C(=O)NC(C)C	ZINC000035964032	554112264	/nfs/dbraw/zinc/11/22/64/554112264.db2.gz	RCQBBTXCIIUJEB-DEOSSOPVSA-N	0	0	512.607	3.457	50	0		KGAARN
COCCN(CC(=O)N1N=C(c2cccc(OC)c2)C[C@@H]1c1cc(OC)ccc1OC)C(=O)NC(C)C	ZINC000035964034	554112307	/nfs/dbraw/zinc/11/23/07/554112307.db2.gz	RCQBBTXCIIUJEB-XMMPIXPASA-N	0	0	512.607	3.457	50	0		KGAARN
CCOC(=O)C1CCN(C(=O)[C@H](CC(C)C)N2CC3=C(C2=O)[C@H](c2ccccc2)NC(=O)N3CC)CC1	ZINC000035964326	554112312	/nfs/dbraw/zinc/11/23/12/554112312.db2.gz	QOOPIRQYBWSERV-URXFXBBRSA-N	0	0	510.635	3.086	50	0		KGAARN
CCOC(=O)C1CCN(C(=O)[C@H](CC(C)C)N2CC3=C(C2=O)[C@@H](c2ccccc2)NC(=O)N3CC)CC1	ZINC000035964328	554112257	/nfs/dbraw/zinc/11/22/57/554112257.db2.gz	QOOPIRQYBWSERV-XUZZJYLKSA-N	0	0	510.635	3.086	50	0		KGAARN
CCOC(=O)C1CCN(C(=O)[C@@H](CC(C)C)N2CC3=C(C2=O)[C@H](c2ccccc2)NC(=O)N3CC)CC1	ZINC000035964330	554112320	/nfs/dbraw/zinc/11/23/20/554112320.db2.gz	QOOPIRQYBWSERV-QPPBQGQZSA-N	0	0	510.635	3.086	50	0		KGAARN
CCOC(=O)C1CCN(C(=O)[C@@H](CC(C)C)N2CC3=C(C2=O)[C@@H](c2ccccc2)NC(=O)N3CC)CC1	ZINC000035964332	554112299	/nfs/dbraw/zinc/11/22/99/554112299.db2.gz	QOOPIRQYBWSERV-ZJSXRUAMSA-N	0	0	510.635	3.086	50	0		KGAARN
CCOC(=O)C1CCN(C(=O)[C@@H](CC(C)C)N2CC3=C(C2=O)[C@H](c2ccccc2Cl)NC(=O)N3C)CC1	ZINC000035964863	554112282	/nfs/dbraw/zinc/11/22/82/554112282.db2.gz	YIYOQEXGNJNGEY-OFNKIYASSA-N	0	0	531.053	3.349	50	0		KGAARN
CCOC(=O)C1CCN(C(=O)[C@H](CC(C)C)N2CC3=C(C2=O)[C@H](c2ccccc2Cl)NC(=O)N3C)CC1	ZINC000035964865	554112314	/nfs/dbraw/zinc/11/23/14/554112314.db2.gz	YIYOQEXGNJNGEY-REWPJTCUSA-N	0	0	531.053	3.349	50	0		KGAARN
CCOC(=O)C1CCN(C(=O)[C@@H](CC(C)C)N2CC3=C(C2=O)[C@@H](c2ccccc2Cl)NC(=O)N3C)CC1	ZINC000035964867	554112534	/nfs/dbraw/zinc/11/25/34/554112534.db2.gz	YIYOQEXGNJNGEY-NFBKMPQASA-N	0	0	531.053	3.349	50	0		KGAARN
CCOC(=O)C1CCN(C(=O)[C@H](CC(C)C)N2CC3=C(C2=O)[C@@H](c2ccccc2Cl)NC(=O)N3C)CC1	ZINC000035964869	554112453	/nfs/dbraw/zinc/11/24/53/554112453.db2.gz	YIYOQEXGNJNGEY-NZQKXSOJSA-N	0	0	531.053	3.349	50	0		KGAARN
CCN1C2=C(C(=O)N([C@@H](Cc3ccccc3)C(=O)NC[C@@H]3CCCO3)C2)[C@@H](c2cccc(C)c2)NC1=O	ZINC000035965402	554112518	/nfs/dbraw/zinc/11/25/18/554112518.db2.gz	AGJAHZGDLZAKDM-JCYRPKCISA-N	0	0	502.615	3.084	50	0		KGAARN
CCN1C2=C(C(=O)N([C@H](Cc3ccccc3)C(=O)NC[C@@H]3CCCO3)C2)[C@@H](c2cccc(C)c2)NC1=O	ZINC000035965408	554112564	/nfs/dbraw/zinc/11/25/64/554112564.db2.gz	AGJAHZGDLZAKDM-PPJWLVRDSA-N	0	0	502.615	3.084	50	0		KGAARN
CCOC(=O)C1CCN(C(=O)[C@@H](c2ccccc2)N2CC3=C(C2=O)[C@H](c2ccc(C)cc2)NC(=O)N3C)CC1	ZINC000035965803	554112470	/nfs/dbraw/zinc/11/24/70/554112470.db2.gz	OVCDNARWFZFDDN-IZZNHLLZSA-N	0	0	530.625	3.330	50	0		KGAARN
CCOC(=O)C1CCN(C(=O)[C@H](c2ccccc2)N2CC3=C(C2=O)[C@H](c2ccc(C)cc2)NC(=O)N3C)CC1	ZINC000035965804	554112586	/nfs/dbraw/zinc/11/25/86/554112586.db2.gz	OVCDNARWFZFDDN-UIOOFZCWSA-N	0	0	530.625	3.330	50	0		KGAARN
CCOC(=O)C1CCN(C(=O)[C@@H](c2ccccc2)N2CC3=C(C2=O)[C@@H](c2ccc(C)cc2)NC(=O)N3C)CC1	ZINC000035965807	554112485	/nfs/dbraw/zinc/11/24/85/554112485.db2.gz	OVCDNARWFZFDDN-CLJLJLNGSA-N	0	0	530.625	3.330	50	0		KGAARN
CCOC(=O)C1CCN(C(=O)[C@H](c2ccccc2)N2CC3=C(C2=O)[C@@H](c2ccc(C)cc2)NC(=O)N3C)CC1	ZINC000035965809	554112503	/nfs/dbraw/zinc/11/25/03/554112503.db2.gz	OVCDNARWFZFDDN-FTJBHMTQSA-N	0	0	530.625	3.330	50	0		KGAARN
CCN1C2=C(C(=O)N([C@H](C(=O)NC[C@@H]3CCCO3)C(C)C)C2)[C@@H](c2ccccc2C(F)(F)F)NC1=O	ZINC000035966554	554112671	/nfs/dbraw/zinc/11/26/71/554112671.db2.gz	LDOVBLFTMNBXCK-RVHYNSKXSA-N	0	0	508.541	3.208	50	0		KGAARN
CCN1C2=C(C(=O)N([C@@H](C(=O)NC[C@@H]3CCCO3)C(C)C)C2)[C@@H](c2ccccc2C(F)(F)F)NC1=O	ZINC000035966560	554112683	/nfs/dbraw/zinc/11/26/83/554112683.db2.gz	LDOVBLFTMNBXCK-IWMITWMQSA-N	0	0	508.541	3.208	50	0		KGAARN
CCN1CCN(C(=O)[C@@H](CC(C)C)N2CC3=C(C2=O)[C@H](c2ccccc2C(F)(F)F)NC(=O)N3CC)CC1	ZINC000035966672	554112775	/nfs/dbraw/zinc/11/27/75/554112775.db2.gz	LEEGPYPFEYSMHO-OFNKIYASSA-N	0	0	535.611	3.467	50	0		KGAARN
CCN1CCN(C(=O)[C@H](CC(C)C)N2CC3=C(C2=O)[C@H](c2ccccc2C(F)(F)F)NC(=O)N3CC)CC1	ZINC000035966674	554112765	/nfs/dbraw/zinc/11/27/65/554112765.db2.gz	LEEGPYPFEYSMHO-REWPJTCUSA-N	0	0	535.611	3.467	50	0		KGAARN
CCN1CCN(C(=O)[C@@H](CC(C)C)N2CC3=C(C2=O)[C@@H](c2ccccc2C(F)(F)F)NC(=O)N3CC)CC1	ZINC000035966677	554112720	/nfs/dbraw/zinc/11/27/20/554112720.db2.gz	LEEGPYPFEYSMHO-NFBKMPQASA-N	0	0	535.611	3.467	50	0		KGAARN
CCN1CCN(C(=O)[C@H](CC(C)C)N2CC3=C(C2=O)[C@@H](c2ccccc2C(F)(F)F)NC(=O)N3CC)CC1	ZINC000035966679	554112704	/nfs/dbraw/zinc/11/27/04/554112704.db2.gz	LEEGPYPFEYSMHO-NZQKXSOJSA-N	0	0	535.611	3.467	50	0		KGAARN
CCN1C2=C(C(=O)N([C@@H](CC(C)C)C(=O)N3CCN(C)CC3)C2)[C@H](c2ccccc2C(F)(F)F)NC1=O	ZINC000035966681	554112735	/nfs/dbraw/zinc/11/27/35/554112735.db2.gz	VMPUHOUWMGQCTB-UGKGYDQZSA-N	0	0	521.584	3.077	50	0		KGAARN
CCN1C2=C(C(=O)N([C@@H](CC(C)C)C(=O)N3CCN(C)CC3)C2)[C@@H](c2ccccc2C(F)(F)F)NC1=O	ZINC000035966683	554112676	/nfs/dbraw/zinc/11/26/76/554112676.db2.gz	VMPUHOUWMGQCTB-SIKLNZKXSA-N	0	0	521.584	3.077	50	0		KGAARN
CCN1C2=C(C(=O)N([C@H](CC(C)C)C(=O)N3CCN(C)CC3)C2)[C@H](c2ccccc2C(F)(F)F)NC1=O	ZINC000035966685	554112953	/nfs/dbraw/zinc/11/29/53/554112953.db2.gz	VMPUHOUWMGQCTB-KNQAVFIVSA-N	0	0	521.584	3.077	50	0		KGAARN
CCN1C2=C(C(=O)N([C@H](CC(C)C)C(=O)N3CCN(C)CC3)C2)[C@@H](c2ccccc2C(F)(F)F)NC1=O	ZINC000035966687	554112938	/nfs/dbraw/zinc/11/29/38/554112938.db2.gz	VMPUHOUWMGQCTB-DENIHFKCSA-N	0	0	521.584	3.077	50	0		KGAARN
CC(C)[C@@H](C(=O)NCc1ccccn1)N1CC2=C(C1=O)[C@H](c1ccccc1C(F)(F)F)NC(=O)N2C	ZINC000035966752	554112979	/nfs/dbraw/zinc/11/29/79/554112979.db2.gz	XDITXZGYLZMGAJ-SFTDATJTSA-N	0	0	501.509	3.234	50	0		KGAARN
CC(C)[C@H](C(=O)NCc1ccccn1)N1CC2=C(C1=O)[C@H](c1ccccc1C(F)(F)F)NC(=O)N2C	ZINC000035966754	554112912	/nfs/dbraw/zinc/11/29/12/554112912.db2.gz	XDITXZGYLZMGAJ-LEWJYISDSA-N	0	0	501.509	3.234	50	0		KGAARN
CC(C)[C@@H](C(=O)NCc1ccccn1)N1CC2=C(C1=O)[C@@H](c1ccccc1C(F)(F)F)NC(=O)N2C	ZINC000035966756	554112964	/nfs/dbraw/zinc/11/29/64/554112964.db2.gz	XDITXZGYLZMGAJ-RTWAWAEBSA-N	0	0	501.509	3.234	50	0		KGAARN
CC(C)[C@H](C(=O)NCc1ccccn1)N1CC2=C(C1=O)[C@@H](c1ccccc1C(F)(F)F)NC(=O)N2C	ZINC000035966758	554112962	/nfs/dbraw/zinc/11/29/62/554112962.db2.gz	XDITXZGYLZMGAJ-NHCUHLMSSA-N	0	0	501.509	3.234	50	0		KGAARN
CC(C)[C@@H](C(=O)NCc1cccnc1)N1CC2=C(C1=O)[C@H](c1ccccc1C(F)(F)F)NC(=O)N2C	ZINC000035966760	554112920	/nfs/dbraw/zinc/11/29/20/554112920.db2.gz	XLVMGTRAUMVLAP-SFTDATJTSA-N	0	0	501.509	3.234	50	0		KGAARN
CC(C)[C@H](C(=O)NCc1cccnc1)N1CC2=C(C1=O)[C@H](c1ccccc1C(F)(F)F)NC(=O)N2C	ZINC000035966762	554112969	/nfs/dbraw/zinc/11/29/69/554112969.db2.gz	XLVMGTRAUMVLAP-LEWJYISDSA-N	0	0	501.509	3.234	50	0		KGAARN
CC(C)[C@@H](C(=O)NCc1cccnc1)N1CC2=C(C1=O)[C@@H](c1ccccc1C(F)(F)F)NC(=O)N2C	ZINC000035966764	554112976	/nfs/dbraw/zinc/11/29/76/554112976.db2.gz	XLVMGTRAUMVLAP-RTWAWAEBSA-N	0	0	501.509	3.234	50	0		KGAARN
CC(C)[C@H](C(=O)NCc1cccnc1)N1CC2=C(C1=O)[C@@H](c1ccccc1C(F)(F)F)NC(=O)N2C	ZINC000035966766	554112970	/nfs/dbraw/zinc/11/29/70/554112970.db2.gz	XLVMGTRAUMVLAP-NHCUHLMSSA-N	0	0	501.509	3.234	50	0		KGAARN
CCN1C2=C(C(=O)N(CC(=O)NCCc3ccccn3)C2)[C@H](c2cccc(Oc3ccccc3)c2)NC1=O	ZINC000035967112	554112925	/nfs/dbraw/zinc/11/29/25/554112925.db2.gz	IOQFLAGJBMMDTQ-MHZLTWQESA-N	0	0	511.582	3.415	50	0		KGAARN
CCN1C2=C(C(=O)N(CC(=O)NCCc3ccccn3)C2)[C@@H](c2cccc(Oc3ccccc3)c2)NC1=O	ZINC000035967115	554112960	/nfs/dbraw/zinc/11/29/60/554112960.db2.gz	IOQFLAGJBMMDTQ-HHHXNRCGSA-N	0	0	511.582	3.415	50	0		KGAARN
CCN1C2=C(C(=O)N(CCC(=O)NC[C@@H]3CCCO3)C2)[C@H](c2cccc(Oc3ccccc3)c2)NC1=O	ZINC000035967190	554112967	/nfs/dbraw/zinc/11/29/67/554112967.db2.gz	PBIMGLGTBJPURX-NVQXNPDNSA-N	0	0	504.587	3.347	50	0		KGAARN
CCN1C2=C(C(=O)N(CCC(=O)NC[C@@H]3CCCO3)C2)[C@@H](c2cccc(Oc3ccccc3)c2)NC1=O	ZINC000035967192	554112965	/nfs/dbraw/zinc/11/29/65/554112965.db2.gz	PBIMGLGTBJPURX-BKMJKUGQSA-N	0	0	504.587	3.347	50	0		KGAARN
CCN1C2=C(C(=O)N(CCC(=O)NC[C@H]3CCCO3)C2)[C@H](c2cccc(Oc3ccccc3)c2)NC1=O	ZINC000035967195	554112948	/nfs/dbraw/zinc/11/29/48/554112948.db2.gz	PBIMGLGTBJPURX-GJZUVCINSA-N	0	0	504.587	3.347	50	0		KGAARN
CCN1C2=C(C(=O)N(CCC(=O)NC[C@H]3CCCO3)C2)[C@@H](c2cccc(Oc3ccccc3)c2)NC1=O	ZINC000035967197	554112931	/nfs/dbraw/zinc/11/29/31/554112931.db2.gz	PBIMGLGTBJPURX-ATIYNZHBSA-N	0	0	504.587	3.347	50	0		KGAARN
CCN1C2=C(C(=O)N([C@@H](Cc3ccccc3)C(=O)NCc3ccccn3)C2)[C@H](c2cccc(F)c2)NC1=O	ZINC000035969444	554113369	/nfs/dbraw/zinc/11/33/69/554113369.db2.gz	FERAEZNBANNWEC-OZXSUGGESA-N	0	0	513.573	3.331	50	0		KGAARN
CCN1C2=C(C(=O)N([C@@H](Cc3ccccc3)C(=O)NCc3ccccn3)C2)[C@@H](c2cccc(F)c2)NC1=O	ZINC000035969447	554113374	/nfs/dbraw/zinc/11/33/74/554113374.db2.gz	FERAEZNBANNWEC-JYFHCDHNSA-N	0	0	513.573	3.331	50	0		KGAARN
CCN1C2=C(C(=O)N([C@H](Cc3ccccc3)C(=O)NCc3ccccn3)C2)[C@H](c2cccc(F)c2)NC1=O	ZINC000035969450	554113411	/nfs/dbraw/zinc/11/34/11/554113411.db2.gz	FERAEZNBANNWEC-BVAGGSTKSA-N	0	0	513.573	3.331	50	0		KGAARN
CCN1C2=C(C(=O)N([C@H](Cc3ccccc3)C(=O)NCc3ccccn3)C2)[C@@H](c2cccc(F)c2)NC1=O	ZINC000035969453	554113401	/nfs/dbraw/zinc/11/34/01/554113401.db2.gz	FERAEZNBANNWEC-ZEQKJWHPSA-N	0	0	513.573	3.331	50	0		KGAARN
COc1ccc([C@@H]2NC(=O)N(C)C3=C2C(=O)N([C@@H](Cc2ccccc2)C(=O)NCc2ccco2)C3)cc1	ZINC000035979329	554116762	/nfs/dbraw/zinc/11/67/62/554116762.db2.gz	RHYCOVCNECCJNR-DHLKQENFSA-N	0	0	500.555	3.008	50	0		KGAARN
COc1ccc([C@H]2NC(=O)N(C)C3=C2C(=O)N([C@@H](Cc2ccccc2)C(=O)NCc2ccco2)C3)cc1	ZINC000035979332	554116753	/nfs/dbraw/zinc/11/67/53/554116753.db2.gz	RHYCOVCNECCJNR-WIOPSUGQSA-N	0	0	500.555	3.008	50	0		KGAARN
COc1ccc([C@@H]2NC(=O)N(C)C3=C2C(=O)N([C@H](Cc2ccccc2)C(=O)NCc2ccco2)C3)cc1	ZINC000035979335	554116834	/nfs/dbraw/zinc/11/68/34/554116834.db2.gz	RHYCOVCNECCJNR-RDGATRHJSA-N	0	0	500.555	3.008	50	0		KGAARN
COc1ccc([C@H]2NC(=O)N(C)C3=C2C(=O)N([C@H](Cc2ccccc2)C(=O)NCc2ccco2)C3)cc1	ZINC000035979339	554116870	/nfs/dbraw/zinc/11/68/70/554116870.db2.gz	RHYCOVCNECCJNR-RCZVLFRGSA-N	0	0	500.555	3.008	50	0		KGAARN
COc1ccc(S(=O)(=O)N(CCN2CCOCC2)Cc2nccn2Cc2c(C)cc(C)cc2C)cc1	ZINC000035979893	554116888	/nfs/dbraw/zinc/11/68/88/554116888.db2.gz	GWWQKLMWYHWQMM-UHFFFAOYSA-N	0	0	512.676	3.388	50	0		KGAARN
O=C(NCc1cccnc1)[C@@H]1COC2(CCN(C(=O)c3ccc(F)cc3)CC2)N1C(=O)c1ccc(F)cc1	ZINC000035981780	554117804	/nfs/dbraw/zinc/11/78/04/554117804.db2.gz	XFQQCVQMYRNTOQ-DEOSSOPVSA-N	0	0	520.536	3.150	50	0		KGAARN
O=C(NCc1cccnc1)[C@H]1COC2(CCN(C(=O)c3ccc(F)cc3)CC2)N1C(=O)c1ccc(F)cc1	ZINC000035981781	554117827	/nfs/dbraw/zinc/11/78/27/554117827.db2.gz	XFQQCVQMYRNTOQ-XMMPIXPASA-N	0	0	520.536	3.150	50	0		KGAARN
COc1ccc(C(=O)N2CCC3(CC2)OC[C@@H](C(=O)NCc2ccco2)N3C(=O)c2ccc(F)cc2)cc1	ZINC000035981844	554117802	/nfs/dbraw/zinc/11/78/02/554117802.db2.gz	WCSRLWGZUZWGPM-DEOSSOPVSA-N	0	0	521.545	3.217	50	0		KGAARN
COc1ccc(C(=O)N2CCC3(CC2)OC[C@H](C(=O)NCc2ccco2)N3C(=O)c2ccc(F)cc2)cc1	ZINC000035981845	554117810	/nfs/dbraw/zinc/11/78/10/554117810.db2.gz	WCSRLWGZUZWGPM-XMMPIXPASA-N	0	0	521.545	3.217	50	0		KGAARN
Cc1ccc(C(=O)N2CCC3(CC2)OC[C@@H](C(=O)NCc2cccnc2)N3C(=O)c2ccc(F)cc2)cc1	ZINC000035981884	554118131	/nfs/dbraw/zinc/11/81/31/554118131.db2.gz	JODJYTYIKHIHAV-VWLOTQADSA-N	0	0	516.573	3.319	50	0		KGAARN
Cc1ccc(C(=O)N2CCC3(CC2)OC[C@H](C(=O)NCc2cccnc2)N3C(=O)c2ccc(F)cc2)cc1	ZINC000035981885	554118125	/nfs/dbraw/zinc/11/81/25/554118125.db2.gz	JODJYTYIKHIHAV-RUZDIDTESA-N	0	0	516.573	3.319	50	0		KGAARN
Cc1cccc(C(=O)N2CCC3(CC2)OC[C@@H](C(=O)NCc2ccncc2)N3C(=O)c2ccc(F)cc2)c1	ZINC000035981982	554118310	/nfs/dbraw/zinc/11/83/10/554118310.db2.gz	CSANYDFZQXCKGE-VWLOTQADSA-N	0	0	516.573	3.319	50	0		KGAARN
Cc1cccc(C(=O)N2CCC3(CC2)OC[C@H](C(=O)NCc2ccncc2)N3C(=O)c2ccc(F)cc2)c1	ZINC000035981983	554118294	/nfs/dbraw/zinc/11/82/94/554118294.db2.gz	CSANYDFZQXCKGE-RUZDIDTESA-N	0	0	516.573	3.319	50	0		KGAARN
CC(C)CNC(=O)[C@@H]1COC2(CCN(C(=O)c3ccc(F)cc3F)CC2)N1C(=O)c1ccc(F)cc1	ZINC000035982002	554118329	/nfs/dbraw/zinc/11/83/29/554118329.db2.gz	HPWMILSGWIWMOB-QFIPXVFZSA-N	0	0	503.521	3.350	50	0		KGAARN
CC(C)CNC(=O)[C@H]1COC2(CCN(C(=O)c3ccc(F)cc3F)CC2)N1C(=O)c1ccc(F)cc1	ZINC000035982003	554118361	/nfs/dbraw/zinc/11/83/61/554118361.db2.gz	HPWMILSGWIWMOB-JOCHJYFZSA-N	0	0	503.521	3.350	50	0		KGAARN
CCc1ccc(C(=O)N2CCC3(CC2)OC[C@@H](C(=O)NC[C@@H]2CCCO2)N3C(=O)c2ccc(F)cc2)cc1	ZINC000035982030	554118566	/nfs/dbraw/zinc/11/85/66/554118566.db2.gz	NZKFNUFPUCPHDY-DQEYMECFSA-N	0	0	523.605	3.157	50	0		KGAARN
CCc1ccc(C(=O)N2CCC3(CC2)OC[C@H](C(=O)NC[C@@H]2CCCO2)N3C(=O)c2ccc(F)cc2)cc1	ZINC000035982031	554118511	/nfs/dbraw/zinc/11/85/11/554118511.db2.gz	NZKFNUFPUCPHDY-LOSJGSFVSA-N	0	0	523.605	3.157	50	0		KGAARN
CCc1ccc(C(=O)N2CCC3(CC2)OC[C@@H](C(=O)NC[C@H]2CCCO2)N3C(=O)c2ccc(F)cc2)cc1	ZINC000035982032	554118531	/nfs/dbraw/zinc/11/85/31/554118531.db2.gz	NZKFNUFPUCPHDY-RPBOFIJWSA-N	0	0	523.605	3.157	50	0		KGAARN
CCc1ccc(C(=O)N2CCC3(CC2)OC[C@H](C(=O)NC[C@H]2CCCO2)N3C(=O)c2ccc(F)cc2)cc1	ZINC000035982033	554118518	/nfs/dbraw/zinc/11/85/18/554118518.db2.gz	NZKFNUFPUCPHDY-JWQCQUIFSA-N	0	0	523.605	3.157	50	0		KGAARN
CC[C@@H](C)NC(=O)[C@@H]1COC2(CCN(C(=O)c3ccc(OC)cc3)CC2)N1C(=O)c1ccc(OC)cc1	ZINC000035986384	554119034	/nfs/dbraw/zinc/11/90/34/554119034.db2.gz	PVJPIIDNEHGACD-DVECYGJZSA-N	0	0	509.603	3.092	50	0		KGAARN
CC[C@H](C)NC(=O)[C@@H]1COC2(CCN(C(=O)c3ccc(OC)cc3)CC2)N1C(=O)c1ccc(OC)cc1	ZINC000035986385	554119101	/nfs/dbraw/zinc/11/91/01/554119101.db2.gz	PVJPIIDNEHGACD-CYFREDJKSA-N	0	0	509.603	3.092	50	0		KGAARN
CC[C@@H](C)NC(=O)[C@H]1COC2(CCN(C(=O)c3ccc(OC)cc3)CC2)N1C(=O)c1ccc(OC)cc1	ZINC000035986386	554119072	/nfs/dbraw/zinc/11/90/72/554119072.db2.gz	PVJPIIDNEHGACD-NTKDMRAZSA-N	0	0	509.603	3.092	50	0		KGAARN
CC[C@H](C)NC(=O)[C@H]1COC2(CCN(C(=O)c3ccc(OC)cc3)CC2)N1C(=O)c1ccc(OC)cc1	ZINC000035986387	554119075	/nfs/dbraw/zinc/11/90/75/554119075.db2.gz	PVJPIIDNEHGACD-YADARESESA-N	0	0	509.603	3.092	50	0		KGAARN
COc1ccc(C(=O)N2[C@H](C(=O)NCc3ccccn3)COC23CCN(C(=O)CC(C)(C)C)CC3)cc1	ZINC000035986432	554119064	/nfs/dbraw/zinc/11/90/64/554119064.db2.gz	CDEDXVQBLATTDP-QHCPKHFHSA-N	0	0	508.619	3.003	50	0		KGAARN
COc1ccc(C(=O)N2[C@@H](C(=O)NCc3ccccn3)COC23CCN(C(=O)CC(C)(C)C)CC3)cc1	ZINC000035986433	554119015	/nfs/dbraw/zinc/11/90/15/554119015.db2.gz	CDEDXVQBLATTDP-HSZRJFAPSA-N	0	0	508.619	3.003	50	0		KGAARN
COc1ccc(C(=O)N2[C@H](C(=O)NCc3cccnc3)COC23CCN(C(=O)CC(C)(C)C)CC3)cc1	ZINC000035986434	554119078	/nfs/dbraw/zinc/11/90/78/554119078.db2.gz	WNOHVIWVAIONBY-QHCPKHFHSA-N	0	0	508.619	3.003	50	0		KGAARN
COc1ccc(C(=O)N2[C@@H](C(=O)NCc3cccnc3)COC23CCN(C(=O)CC(C)(C)C)CC3)cc1	ZINC000035986435	554119043	/nfs/dbraw/zinc/11/90/43/554119043.db2.gz	WNOHVIWVAIONBY-HSZRJFAPSA-N	0	0	508.619	3.003	50	0		KGAARN
COc1ccc(C(=O)N2[C@H](C(=O)NCc3ccncc3)COC23CCN(C(=O)c2ccccc2C)CC3)cc1	ZINC000035986470	554119089	/nfs/dbraw/zinc/11/90/89/554119089.db2.gz	BPSAKLJYTCXDRV-SANMLTNESA-N	0	0	528.609	3.189	50	0		KGAARN
COc1ccc(C(=O)N2[C@@H](C(=O)NCc3ccncc3)COC23CCN(C(=O)c2ccccc2C)CC3)cc1	ZINC000035986471	554119022	/nfs/dbraw/zinc/11/90/22/554119022.db2.gz	BPSAKLJYTCXDRV-AREMUKBSSA-N	0	0	528.609	3.189	50	0		KGAARN
COc1ccc(C(=O)N2[C@H](C(=O)NCc3ccccn3)COC23CCN(C(=O)c2ccccc2C)CC3)cc1	ZINC000035986482	554119250	/nfs/dbraw/zinc/11/92/50/554119250.db2.gz	QCYKJXZJFLFUKF-SANMLTNESA-N	0	0	528.609	3.189	50	0		KGAARN
COc1ccc(C(=O)N2[C@@H](C(=O)NCc3ccccn3)COC23CCN(C(=O)c2ccccc2C)CC3)cc1	ZINC000035986483	554119283	/nfs/dbraw/zinc/11/92/83/554119283.db2.gz	QCYKJXZJFLFUKF-AREMUKBSSA-N	0	0	528.609	3.189	50	0		KGAARN
COc1ccc(C(=O)N2[C@H](C(=O)NCc3cccnc3)COC23CCN(C(=O)c2ccccc2C)CC3)cc1	ZINC000035986484	554119262	/nfs/dbraw/zinc/11/92/62/554119262.db2.gz	MMMMIYDJDRHVSE-SANMLTNESA-N	0	0	528.609	3.189	50	0		KGAARN
COc1ccc(C(=O)N2[C@@H](C(=O)NCc3cccnc3)COC23CCN(C(=O)c2ccccc2C)CC3)cc1	ZINC000035986485	554119256	/nfs/dbraw/zinc/11/92/56/554119256.db2.gz	MMMMIYDJDRHVSE-AREMUKBSSA-N	0	0	528.609	3.189	50	0		KGAARN
COc1ccc(C(=O)N2[C@H](C(=O)NCc3ccccn3)COC23CCN(C(=O)c2cccc(C)c2)CC3)cc1	ZINC000035986544	554119276	/nfs/dbraw/zinc/11/92/76/554119276.db2.gz	GBQWARPVFRCGPJ-SANMLTNESA-N	0	0	528.609	3.189	50	0		KGAARN
COc1ccc(C(=O)N2[C@@H](C(=O)NCc3ccccn3)COC23CCN(C(=O)c2cccc(C)c2)CC3)cc1	ZINC000035986545	554119246	/nfs/dbraw/zinc/11/92/46/554119246.db2.gz	GBQWARPVFRCGPJ-AREMUKBSSA-N	0	0	528.609	3.189	50	0		KGAARN
CCOC(=O)C1CCN(C(=O)[C@@H]2COC3(CCN(C(=O)CC(C)(C)C)CC3)N2C(=O)c2ccccc2)CC1	ZINC000035986723	554119552	/nfs/dbraw/zinc/11/95/52/554119552.db2.gz	YWYSIVLPMROPOH-QHCPKHFHSA-N	0	0	527.662	3.084	50	0		KGAARN
CCOC(=O)C1CCN(C(=O)[C@H]2COC3(CCN(C(=O)CC(C)(C)C)CC3)N2C(=O)c2ccccc2)CC1	ZINC000035986724	554119563	/nfs/dbraw/zinc/11/95/63/554119563.db2.gz	YWYSIVLPMROPOH-HSZRJFAPSA-N	0	0	527.662	3.084	50	0		KGAARN
O=C(NC[C@@H]1CCCO1)[C@@H]1COC2(CCN(C(=O)c3ccc(Cl)cc3)CC2)N1C(=O)c1ccccc1	ZINC000035986785	554119521	/nfs/dbraw/zinc/11/95/21/554119521.db2.gz	YPYWCXYVFAMCNF-GOTSBHOMSA-N	0	0	512.006	3.109	50	0		KGAARN
O=C(NC[C@@H]1CCCO1)[C@H]1COC2(CCN(C(=O)c3ccc(Cl)cc3)CC2)N1C(=O)c1ccccc1	ZINC000035986786	554119532	/nfs/dbraw/zinc/11/95/32/554119532.db2.gz	YPYWCXYVFAMCNF-XZOQPEGZSA-N	0	0	512.006	3.109	50	0		KGAARN
O=C(NC[C@H]1CCCO1)[C@@H]1COC2(CCN(C(=O)c3ccc(Cl)cc3)CC2)N1C(=O)c1ccccc1	ZINC000035986787	554119528	/nfs/dbraw/zinc/11/95/28/554119528.db2.gz	YPYWCXYVFAMCNF-PKTZIBPZSA-N	0	0	512.006	3.109	50	0		KGAARN
O=C(NC[C@H]1CCCO1)[C@H]1COC2(CCN(C(=O)c3ccc(Cl)cc3)CC2)N1C(=O)c1ccccc1	ZINC000035986788	554119562	/nfs/dbraw/zinc/11/95/62/554119562.db2.gz	YPYWCXYVFAMCNF-DHIUTWEWSA-N	0	0	512.006	3.109	50	0		KGAARN
COCCNC(=O)[C@@H]1COC2(CCN(C(=O)c3ccc(Cl)c(Cl)c3)CC2)N1C(=O)c1ccccc1	ZINC000035986809	554119545	/nfs/dbraw/zinc/11/95/45/554119545.db2.gz	PMXBSQIBAYRAKY-NRFANRHFSA-N	0	0	520.413	3.230	50	0		KGAARN
COCCNC(=O)[C@H]1COC2(CCN(C(=O)c3ccc(Cl)c(Cl)c3)CC2)N1C(=O)c1ccccc1	ZINC000035986810	554119536	/nfs/dbraw/zinc/11/95/36/554119536.db2.gz	PMXBSQIBAYRAKY-OAQYLSRUSA-N	0	0	520.413	3.230	50	0		KGAARN
COc1cccc(C(=O)N2CCC3(CC2)OC[C@@H](C(=O)NCc2ccco2)N3C(=O)c2ccccc2)c1	ZINC000035986819	554119718	/nfs/dbraw/zinc/11/97/18/554119718.db2.gz	YOHHEBPTEIFOKV-DEOSSOPVSA-N	0	0	503.555	3.078	50	0		KGAARN
COc1cccc(C(=O)N2CCC3(CC2)OC[C@H](C(=O)NCc2ccco2)N3C(=O)c2ccccc2)c1	ZINC000035986820	554119637	/nfs/dbraw/zinc/11/96/37/554119637.db2.gz	YOHHEBPTEIFOKV-XMMPIXPASA-N	0	0	503.555	3.078	50	0		KGAARN
O=C(NC[C@@H]1CCCO1)[C@@H]1COC2(CCN(C(=O)c3cccc(Cl)c3)CC2)N1C(=O)c1ccccc1	ZINC000035986851	554119657	/nfs/dbraw/zinc/11/96/57/554119657.db2.gz	FHBNQYJJYPUODJ-GOTSBHOMSA-N	0	0	512.006	3.109	50	0		KGAARN
O=C(NC[C@@H]1CCCO1)[C@H]1COC2(CCN(C(=O)c3cccc(Cl)c3)CC2)N1C(=O)c1ccccc1	ZINC000035986852	554119729	/nfs/dbraw/zinc/11/97/29/554119729.db2.gz	FHBNQYJJYPUODJ-XZOQPEGZSA-N	0	0	512.006	3.109	50	0		KGAARN
O=C(NC[C@H]1CCCO1)[C@@H]1COC2(CCN(C(=O)c3cccc(Cl)c3)CC2)N1C(=O)c1ccccc1	ZINC000035986853	554119688	/nfs/dbraw/zinc/11/96/88/554119688.db2.gz	FHBNQYJJYPUODJ-PKTZIBPZSA-N	0	0	512.006	3.109	50	0		KGAARN
O=C(NC[C@H]1CCCO1)[C@H]1COC2(CCN(C(=O)c3cccc(Cl)c3)CC2)N1C(=O)c1ccccc1	ZINC000035986854	554119677	/nfs/dbraw/zinc/11/96/77/554119677.db2.gz	FHBNQYJJYPUODJ-DHIUTWEWSA-N	0	0	512.006	3.109	50	0		KGAARN
CC[C@@H](C)NC(=O)[C@@H]1COC2(CCN(C(=O)c3ccc(OC)c(OC)c3)CC2)N1C(=O)c1ccccc1	ZINC000035986893	554119915	/nfs/dbraw/zinc/11/99/15/554119915.db2.gz	ITAVORZTVXDHTL-KNQAVFIVSA-N	0	0	509.603	3.092	50	0		KGAARN
CC[C@H](C)NC(=O)[C@@H]1COC2(CCN(C(=O)c3ccc(OC)c(OC)c3)CC2)N1C(=O)c1ccccc1	ZINC000035986894	554119958	/nfs/dbraw/zinc/11/99/58/554119958.db2.gz	ITAVORZTVXDHTL-UGKGYDQZSA-N	0	0	509.603	3.092	50	0		KGAARN
CC[C@@H](C)NC(=O)[C@H]1COC2(CCN(C(=O)c3ccc(OC)c(OC)c3)CC2)N1C(=O)c1ccccc1	ZINC000035986895	554119962	/nfs/dbraw/zinc/11/99/62/554119962.db2.gz	ITAVORZTVXDHTL-DENIHFKCSA-N	0	0	509.603	3.092	50	0		KGAARN
CC[C@H](C)NC(=O)[C@H]1COC2(CCN(C(=O)c3ccc(OC)c(OC)c3)CC2)N1C(=O)c1ccccc1	ZINC000035986896	554119899	/nfs/dbraw/zinc/11/98/99/554119899.db2.gz	ITAVORZTVXDHTL-SIKLNZKXSA-N	0	0	509.603	3.092	50	0		KGAARN
O=C(NCc1cccnc1)[C@@H]1COC2(CCN(C(=O)c3ccc(F)cc3F)CC2)N1C(=O)c1ccccc1	ZINC000035986911	554119924	/nfs/dbraw/zinc/11/99/24/554119924.db2.gz	OKHBHCJGJFZDSR-DEOSSOPVSA-N	0	0	520.536	3.150	50	0		KGAARN
O=C(NCc1cccnc1)[C@H]1COC2(CCN(C(=O)c3ccc(F)cc3F)CC2)N1C(=O)c1ccccc1	ZINC000035986912	554119875	/nfs/dbraw/zinc/11/98/75/554119875.db2.gz	OKHBHCJGJFZDSR-XMMPIXPASA-N	0	0	520.536	3.150	50	0		KGAARN
Cc1cccc(C(=O)N2[C@H](C(=O)NCc3ccncc3)COC23CCN(C(=O)c2ccc(F)cc2)CC3)c1	ZINC000035986931	554119956	/nfs/dbraw/zinc/11/99/56/554119956.db2.gz	OTQCSAQIADWKJW-VWLOTQADSA-N	0	0	516.573	3.319	50	0		KGAARN
Cc1cccc(C(=O)N2[C@@H](C(=O)NCc3ccncc3)COC23CCN(C(=O)c2ccc(F)cc2)CC3)c1	ZINC000035986932	554119888	/nfs/dbraw/zinc/11/98/88/554119888.db2.gz	OTQCSAQIADWKJW-RUZDIDTESA-N	0	0	516.573	3.319	50	0		KGAARN
Cc1cccc(C(=O)N2[C@H](C(=O)NCc3ccccn3)COC23CCN(C(=O)c2ccc(F)cc2)CC3)c1	ZINC000035986941	554119948	/nfs/dbraw/zinc/11/99/48/554119948.db2.gz	ONWHMOSGYCSDOX-VWLOTQADSA-N	0	0	516.573	3.319	50	0		KGAARN
Cc1cccc(C(=O)N2[C@@H](C(=O)NCc3ccccn3)COC23CCN(C(=O)c2ccc(F)cc2)CC3)c1	ZINC000035986942	554119938	/nfs/dbraw/zinc/11/99/38/554119938.db2.gz	ONWHMOSGYCSDOX-RUZDIDTESA-N	0	0	516.573	3.319	50	0		KGAARN
Cc1cccc(C(=O)N2[C@H](C(=O)NCc3cccnc3)COC23CCN(C(=O)c2ccc(F)cc2)CC3)c1	ZINC000035986943	554119954	/nfs/dbraw/zinc/11/99/54/554119954.db2.gz	MJKNOMQEOUNXSB-VWLOTQADSA-N	0	0	516.573	3.319	50	0		KGAARN
Cc1cccc(C(=O)N2[C@@H](C(=O)NCc3cccnc3)COC23CCN(C(=O)c2ccc(F)cc2)CC3)c1	ZINC000035986944	554119951	/nfs/dbraw/zinc/11/99/51/554119951.db2.gz	MJKNOMQEOUNXSB-RUZDIDTESA-N	0	0	516.573	3.319	50	0		KGAARN
COc1ccc(C(=O)N2CCC3(CC2)OC[C@@H](C(=O)NCc2ccccn2)N3C(=O)c2cccc(C)c2)cc1	ZINC000035986961	554120027	/nfs/dbraw/zinc/12/00/27/554120027.db2.gz	DBKVUVURPJQBTD-SANMLTNESA-N	0	0	528.609	3.189	50	0		KGAARN
COc1ccc(C(=O)N2CCC3(CC2)OC[C@H](C(=O)NCc2ccccn2)N3C(=O)c2cccc(C)c2)cc1	ZINC000035986962	554120089	/nfs/dbraw/zinc/12/00/89/554120089.db2.gz	DBKVUVURPJQBTD-AREMUKBSSA-N	0	0	528.609	3.189	50	0		KGAARN
Cc1cccc(C(=O)N2[C@H](C(=O)NCc3ccc4c(c3)OCO4)COC23CCN(C(=O)CC(C)C)CC3)c1	ZINC000035986973	554120104	/nfs/dbraw/zinc/12/01/04/554120104.db2.gz	PBFZTQRWVNHJLJ-QHCPKHFHSA-N	0	0	521.614	3.246	50	0		KGAARN
Cc1cccc(C(=O)N2[C@@H](C(=O)NCc3ccc4c(c3)OCO4)COC23CCN(C(=O)CC(C)C)CC3)c1	ZINC000035986974	554120115	/nfs/dbraw/zinc/12/01/15/554120115.db2.gz	PBFZTQRWVNHJLJ-HSZRJFAPSA-N	0	0	521.614	3.246	50	0		KGAARN
CCOC(=O)C1CCN(C(=O)[C@@H]2COC3(CCN(C(=O)CC(C)(C)C)CC3)N2C(=O)c2cccc(C)c2)CC1	ZINC000035987013	554120077	/nfs/dbraw/zinc/12/00/77/554120077.db2.gz	WVAPNXOIMWKNRE-DEOSSOPVSA-N	0	0	541.689	3.393	50	0		KGAARN
CCOC(=O)C1CCN(C(=O)[C@H]2COC3(CCN(C(=O)CC(C)(C)C)CC3)N2C(=O)c2cccc(C)c2)CC1	ZINC000035987014	554120121	/nfs/dbraw/zinc/12/01/21/554120121.db2.gz	WVAPNXOIMWKNRE-XMMPIXPASA-N	0	0	541.689	3.393	50	0		KGAARN
Cc1cccc(C(=O)N2[C@H](C(=O)NCc3ccccn3)COC23CCN(C(=O)c2ccccc2F)CC3)c1	ZINC000035987023	554120097	/nfs/dbraw/zinc/12/00/97/554120097.db2.gz	CAYBFZTZWFEKMQ-VWLOTQADSA-N	0	0	516.573	3.319	50	0		KGAARN
Cc1cccc(C(=O)N2[C@@H](C(=O)NCc3ccccn3)COC23CCN(C(=O)c2ccccc2F)CC3)c1	ZINC000035987024	554120038	/nfs/dbraw/zinc/12/00/38/554120038.db2.gz	CAYBFZTZWFEKMQ-RUZDIDTESA-N	0	0	516.573	3.319	50	0		KGAARN
Cc1cccc(C(=O)N2[C@H](C(=O)NCc3ccncc3)COC23CCN(C(=O)c2cccc(F)c2)CC3)c1	ZINC000035987033	554120093	/nfs/dbraw/zinc/12/00/93/554120093.db2.gz	DIOBMVOSHZSJDU-VWLOTQADSA-N	0	0	516.573	3.319	50	0		KGAARN
Cc1cccc(C(=O)N2[C@@H](C(=O)NCc3ccncc3)COC23CCN(C(=O)c2cccc(F)c2)CC3)c1	ZINC000035987034	554120036	/nfs/dbraw/zinc/12/00/36/554120036.db2.gz	DIOBMVOSHZSJDU-RUZDIDTESA-N	0	0	516.573	3.319	50	0		KGAARN
Cc1cccc(C(=O)N2[C@H](C(=O)NCc3ccccn3)COC23CCN(C(=O)c2cccc(F)c2)CC3)c1	ZINC000035987045	554120044	/nfs/dbraw/zinc/12/00/44/554120044.db2.gz	XMCLEXHNBPUMFL-VWLOTQADSA-N	0	0	516.573	3.319	50	0		KGAARN
Cc1cccc(C(=O)N2[C@@H](C(=O)NCc3ccccn3)COC23CCN(C(=O)c2cccc(F)c2)CC3)c1	ZINC000035987046	554120070	/nfs/dbraw/zinc/12/00/70/554120070.db2.gz	XMCLEXHNBPUMFL-RUZDIDTESA-N	0	0	516.573	3.319	50	0		KGAARN
Cc1cccc(C(=O)N2[C@H](C(=O)NCc3cccnc3)COC23CCN(C(=O)c2cccc(F)c2)CC3)c1	ZINC000035987047	554120326	/nfs/dbraw/zinc/12/03/26/554120326.db2.gz	AWYQXQHAVUHGQY-VWLOTQADSA-N	0	0	516.573	3.319	50	0		KGAARN
Cc1cccc(C(=O)N2[C@@H](C(=O)NCc3cccnc3)COC23CCN(C(=O)c2cccc(F)c2)CC3)c1	ZINC000035987048	554120399	/nfs/dbraw/zinc/12/03/99/554120399.db2.gz	AWYQXQHAVUHGQY-RUZDIDTESA-N	0	0	516.573	3.319	50	0		KGAARN
Cc1cccc(C(=O)N2[C@H](C(=O)NCc3ccncc3)COC23CCN(C(=O)Cc2ccccc2)CC3)c1	ZINC000035987057	554120375	/nfs/dbraw/zinc/12/03/75/554120375.db2.gz	AZDXOYDOSPJSLR-SANMLTNESA-N	0	0	512.610	3.109	50	0		KGAARN
Cc1cccc(C(=O)N2[C@@H](C(=O)NCc3ccncc3)COC23CCN(C(=O)Cc2ccccc2)CC3)c1	ZINC000035987058	554120405	/nfs/dbraw/zinc/12/04/05/554120405.db2.gz	AZDXOYDOSPJSLR-AREMUKBSSA-N	0	0	512.610	3.109	50	0		KGAARN
Cc1cccc(C(=O)N2[C@H](C(=O)NCc3cccnc3)COC23CCN(C(=O)Cc2ccccc2)CC3)c1	ZINC000035987067	554120351	/nfs/dbraw/zinc/12/03/51/554120351.db2.gz	RXSZEOYZCLTRII-SANMLTNESA-N	0	0	512.610	3.109	50	0		KGAARN
Cc1cccc(C(=O)N2[C@@H](C(=O)NCc3cccnc3)COC23CCN(C(=O)Cc2ccccc2)CC3)c1	ZINC000035987068	554120381	/nfs/dbraw/zinc/12/03/81/554120381.db2.gz	RXSZEOYZCLTRII-AREMUKBSSA-N	0	0	512.610	3.109	50	0		KGAARN
Cc1cccc(C(=O)N2[C@H](C(=O)NC[C@@H]3CCCO3)COC23CCN(C(=O)c2ccccc2C)CC3)c1	ZINC000035987081	554120363	/nfs/dbraw/zinc/12/03/63/554120363.db2.gz	NEYSOANUUYRRAW-ZCYQVOJMSA-N	0	0	505.615	3.072	50	0		KGAARN
Cc1cccc(C(=O)N2[C@@H](C(=O)NC[C@@H]3CCCO3)COC23CCN(C(=O)c2ccccc2C)CC3)c1	ZINC000035987082	554120343	/nfs/dbraw/zinc/12/03/43/554120343.db2.gz	NEYSOANUUYRRAW-UKILVPOCSA-N	0	0	505.615	3.072	50	0		KGAARN
Cc1cccc(C(=O)N2[C@H](C(=O)NC[C@H]3CCCO3)COC23CCN(C(=O)c2ccccc2C)CC3)c1	ZINC000035987083	554120318	/nfs/dbraw/zinc/12/03/18/554120318.db2.gz	NEYSOANUUYRRAW-NOZRDPDXSA-N	0	0	505.615	3.072	50	0		KGAARN
Cc1cccc(C(=O)N2[C@@H](C(=O)NC[C@H]3CCCO3)COC23CCN(C(=O)c2ccccc2C)CC3)c1	ZINC000035987084	554120366	/nfs/dbraw/zinc/12/03/66/554120366.db2.gz	NEYSOANUUYRRAW-ILBGXUMGSA-N	0	0	505.615	3.072	50	0		KGAARN
COc1cccc(C(=O)N2CCC3(CC2)OC[C@@H](C(=O)NCc2ccncc2)N3C(=O)c2cccc(C)c2)c1	ZINC000035987091	554120338	/nfs/dbraw/zinc/12/03/38/554120338.db2.gz	XDYWEMYKFMUJIE-SANMLTNESA-N	0	0	528.609	3.189	50	0		KGAARN
COc1cccc(C(=O)N2CCC3(CC2)OC[C@H](C(=O)NCc2ccncc2)N3C(=O)c2cccc(C)c2)c1	ZINC000035987092	554120340	/nfs/dbraw/zinc/12/03/40/554120340.db2.gz	XDYWEMYKFMUJIE-AREMUKBSSA-N	0	0	528.609	3.189	50	0		KGAARN
COc1cccc(C(=O)N2CCC3(CC2)OC[C@@H](C(=O)NCc2ccco2)N3C(=O)c2cccc(C)c2)c1	ZINC000035987095	554120393	/nfs/dbraw/zinc/12/03/93/554120393.db2.gz	SMCZJAFKRIDYDI-VWLOTQADSA-N	0	0	517.582	3.387	50	0		KGAARN
COc1cccc(C(=O)N2CCC3(CC2)OC[C@H](C(=O)NCc2ccco2)N3C(=O)c2cccc(C)c2)c1	ZINC000035987096	554120342	/nfs/dbraw/zinc/12/03/42/554120342.db2.gz	SMCZJAFKRIDYDI-RUZDIDTESA-N	0	0	517.582	3.387	50	0		KGAARN
COc1cccc(C(=O)N2CCC3(CC2)OC[C@@H](C(=O)NCc2ccccn2)N3C(=O)c2cccc(C)c2)c1	ZINC000035987101	554120506	/nfs/dbraw/zinc/12/05/06/554120506.db2.gz	BDDSCNMIFRQCES-SANMLTNESA-N	0	0	528.609	3.189	50	0		KGAARN
COc1cccc(C(=O)N2CCC3(CC2)OC[C@H](C(=O)NCc2ccccn2)N3C(=O)c2cccc(C)c2)c1	ZINC000035987102	554120548	/nfs/dbraw/zinc/12/05/48/554120548.db2.gz	BDDSCNMIFRQCES-AREMUKBSSA-N	0	0	528.609	3.189	50	0		KGAARN
COc1cccc(C(=O)N2CCC3(CC2)OC[C@@H](C(=O)NCc2cccnc2)N3C(=O)c2cccc(C)c2)c1	ZINC000035987103	554120533	/nfs/dbraw/zinc/12/05/33/554120533.db2.gz	HLGHVMDTLVHUOY-SANMLTNESA-N	0	0	528.609	3.189	50	0		KGAARN
COc1cccc(C(=O)N2CCC3(CC2)OC[C@H](C(=O)NCc2cccnc2)N3C(=O)c2cccc(C)c2)c1	ZINC000035987104	554120500	/nfs/dbraw/zinc/12/05/00/554120500.db2.gz	HLGHVMDTLVHUOY-AREMUKBSSA-N	0	0	528.609	3.189	50	0		KGAARN
Cc1cccc(C(=O)N2[C@H](C(=O)NCc3ccccn3)COC23CCN(C(=O)c2cccc(C)c2)CC3)c1	ZINC000035987145	554120558	/nfs/dbraw/zinc/12/05/58/554120558.db2.gz	ZONAZICLIODKAW-SANMLTNESA-N	0	0	512.610	3.488	50	0		KGAARN
Cc1cccc(C(=O)N2[C@@H](C(=O)NCc3ccccn3)COC23CCN(C(=O)c2cccc(C)c2)CC3)c1	ZINC000035987146	554120492	/nfs/dbraw/zinc/12/04/92/554120492.db2.gz	ZONAZICLIODKAW-AREMUKBSSA-N	0	0	512.610	3.488	50	0		KGAARN
Cc1cccc(C(=O)N2[C@H](C(=O)NCc3cccnc3)COC23CCN(C(=O)c2cccc(C)c2)CC3)c1	ZINC000035987147	554120568	/nfs/dbraw/zinc/12/05/68/554120568.db2.gz	RWFGIVPQBQOZQY-SANMLTNESA-N	0	0	512.610	3.488	50	0		KGAARN
Cc1cccc(C(=O)N2[C@@H](C(=O)NCc3cccnc3)COC23CCN(C(=O)c2cccc(C)c2)CC3)c1	ZINC000035987148	554120580	/nfs/dbraw/zinc/12/05/80/554120580.db2.gz	RWFGIVPQBQOZQY-AREMUKBSSA-N	0	0	512.610	3.488	50	0		KGAARN
Cc1cccc(C(=O)N2[C@H](C(=O)NC[C@@H]3CCCO3)COC23CCN(C(=O)c2cccc(C)c2)CC3)c1	ZINC000035987151	554120498	/nfs/dbraw/zinc/12/04/98/554120498.db2.gz	MGDLPTSXPYGJRH-DQEYMECFSA-N	0	0	505.615	3.072	50	0		KGAARN
Cc1cccc(C(=O)N2[C@@H](C(=O)NC[C@@H]3CCCO3)COC23CCN(C(=O)c2cccc(C)c2)CC3)c1	ZINC000035987152	554120544	/nfs/dbraw/zinc/12/05/44/554120544.db2.gz	MGDLPTSXPYGJRH-LOSJGSFVSA-N	0	0	505.615	3.072	50	0		KGAARN
Cc1cccc(C(=O)N2[C@H](C(=O)NC[C@H]3CCCO3)COC23CCN(C(=O)c2cccc(C)c2)CC3)c1	ZINC000035987153	554120489	/nfs/dbraw/zinc/12/04/89/554120489.db2.gz	MGDLPTSXPYGJRH-RPBOFIJWSA-N	0	0	505.615	3.072	50	0		KGAARN
Cc1cccc(C(=O)N2[C@@H](C(=O)NC[C@H]3CCCO3)COC23CCN(C(=O)c2cccc(C)c2)CC3)c1	ZINC000035987154	554120587	/nfs/dbraw/zinc/12/05/87/554120587.db2.gz	MGDLPTSXPYGJRH-JWQCQUIFSA-N	0	0	505.615	3.072	50	0		KGAARN
Cc1cccc(C(=O)N2[C@H](C(=O)NC[C@@H]3CCCO3)COC23CCN(C(=O)c2ccc(F)cc2F)CC3)c1	ZINC000035987167	554120565	/nfs/dbraw/zinc/12/05/65/554120565.db2.gz	DVZPSGSHEIWEEJ-URXFXBBRSA-N	0	0	527.568	3.042	50	0		KGAARN
Cc1cccc(C(=O)N2[C@@H](C(=O)NC[C@@H]3CCCO3)COC23CCN(C(=O)c2ccc(F)cc2F)CC3)c1	ZINC000035987168	554120578	/nfs/dbraw/zinc/12/05/78/554120578.db2.gz	DVZPSGSHEIWEEJ-XUZZJYLKSA-N	0	0	527.568	3.042	50	0		KGAARN
Cc1cccc(C(=O)N2[C@H](C(=O)NC[C@H]3CCCO3)COC23CCN(C(=O)c2ccc(F)cc2F)CC3)c1	ZINC000035987169	554120826	/nfs/dbraw/zinc/12/08/26/554120826.db2.gz	DVZPSGSHEIWEEJ-QPPBQGQZSA-N	0	0	527.568	3.042	50	0		KGAARN
Cc1cccc(C(=O)N2[C@@H](C(=O)NC[C@H]3CCCO3)COC23CCN(C(=O)c2ccc(F)cc2F)CC3)c1	ZINC000035987170	554120882	/nfs/dbraw/zinc/12/08/82/554120882.db2.gz	DVZPSGSHEIWEEJ-ZJSXRUAMSA-N	0	0	527.568	3.042	50	0		KGAARN
Cc1ccccc1C(=O)N1[C@H](C(=O)NCc2ccncc2)COC12CCN(C(=O)c1ccc(F)cc1)CC2	ZINC000035987315	554120862	/nfs/dbraw/zinc/12/08/62/554120862.db2.gz	UWMNAQHZIIMDHP-VWLOTQADSA-N	0	0	516.573	3.319	50	0		KGAARN
Cc1ccccc1C(=O)N1[C@@H](C(=O)NCc2ccncc2)COC12CCN(C(=O)c1ccc(F)cc1)CC2	ZINC000035987316	554120852	/nfs/dbraw/zinc/12/08/52/554120852.db2.gz	UWMNAQHZIIMDHP-RUZDIDTESA-N	0	0	516.573	3.319	50	0		KGAARN
Cc1ccccc1C(=O)N1[C@H](C(=O)NCc2ccccn2)COC12CCN(C(=O)c1ccc(F)cc1)CC2	ZINC000035987331	554120848	/nfs/dbraw/zinc/12/08/48/554120848.db2.gz	LPZZWVGVZVZPLN-VWLOTQADSA-N	0	0	516.573	3.319	50	0		KGAARN
Cc1ccccc1C(=O)N1[C@@H](C(=O)NCc2ccccn2)COC12CCN(C(=O)c1ccc(F)cc1)CC2	ZINC000035987332	554120829	/nfs/dbraw/zinc/12/08/29/554120829.db2.gz	LPZZWVGVZVZPLN-RUZDIDTESA-N	0	0	516.573	3.319	50	0		KGAARN
Cc1ccccc1C(=O)N1[C@H](C(=O)NCc2ccccn2)COC12CCN(C(=O)c1ccccc1F)CC2	ZINC000035987425	554121007	/nfs/dbraw/zinc/12/10/07/554121007.db2.gz	KPOSTHLACPEYNF-VWLOTQADSA-N	0	0	516.573	3.319	50	0		KGAARN
Cc1ccccc1C(=O)N1[C@@H](C(=O)NCc2ccccn2)COC12CCN(C(=O)c1ccccc1F)CC2	ZINC000035987426	554121038	/nfs/dbraw/zinc/12/10/38/554121038.db2.gz	KPOSTHLACPEYNF-RUZDIDTESA-N	0	0	516.573	3.319	50	0		KGAARN
Cc1ccccc1C(=O)N1[C@H](C(=O)NCc2cccnc2)COC12CCN(C(=O)c1ccccc1F)CC2	ZINC000035987427	554121053	/nfs/dbraw/zinc/12/10/53/554121053.db2.gz	FRBQRNHEFLZQLG-VWLOTQADSA-N	0	0	516.573	3.319	50	0		KGAARN
Cc1ccccc1C(=O)N1[C@@H](C(=O)NCc2cccnc2)COC12CCN(C(=O)c1ccccc1F)CC2	ZINC000035987428	554121068	/nfs/dbraw/zinc/12/10/68/554121068.db2.gz	FRBQRNHEFLZQLG-RUZDIDTESA-N	0	0	516.573	3.319	50	0		KGAARN
Cc1ccccc1C(=O)N1[C@H](C(=O)NCc2ccncc2)COC12CCN(C(=O)c1cccc(F)c1)CC2	ZINC000035987433	554121030	/nfs/dbraw/zinc/12/10/30/554121030.db2.gz	FHYPPOWNXITDCB-VWLOTQADSA-N	0	0	516.573	3.319	50	0		KGAARN
Cc1ccccc1C(=O)N1[C@@H](C(=O)NCc2ccncc2)COC12CCN(C(=O)c1cccc(F)c1)CC2	ZINC000035987434	554121011	/nfs/dbraw/zinc/12/10/11/554121011.db2.gz	FHYPPOWNXITDCB-RUZDIDTESA-N	0	0	516.573	3.319	50	0		KGAARN
Cc1ccccc1C(=O)N1[C@H](C(=O)NCc2ccccn2)COC12CCN(C(=O)c1cccc(F)c1)CC2	ZINC000035987443	554121339	/nfs/dbraw/zinc/12/13/39/554121339.db2.gz	KORGVTVDQGNDEJ-VWLOTQADSA-N	0	0	516.573	3.319	50	0		KGAARN
Cc1ccccc1C(=O)N1[C@@H](C(=O)NCc2ccccn2)COC12CCN(C(=O)c1cccc(F)c1)CC2	ZINC000035987444	554121360	/nfs/dbraw/zinc/12/13/60/554121360.db2.gz	KORGVTVDQGNDEJ-RUZDIDTESA-N	0	0	516.573	3.319	50	0		KGAARN
Cc1ccccc1C(=O)N1[C@H](C(=O)NC[C@@H]2CCCO2)COC12CCN(C(=O)c1ccc(Cl)cc1)CC2	ZINC000035987465	554121282	/nfs/dbraw/zinc/12/12/82/554121282.db2.gz	KDHNFSJEYLWJGC-UPVQGACJSA-N	0	0	526.033	3.417	50	0		KGAARN
Cc1ccccc1C(=O)N1[C@@H](C(=O)NC[C@@H]2CCCO2)COC12CCN(C(=O)c1ccc(Cl)cc1)CC2	ZINC000035987466	554121348	/nfs/dbraw/zinc/12/13/48/554121348.db2.gz	KDHNFSJEYLWJGC-LADGPHEKSA-N	0	0	526.033	3.417	50	0		KGAARN
Cc1ccccc1C(=O)N1[C@H](C(=O)NC[C@H]2CCCO2)COC12CCN(C(=O)c1ccc(Cl)cc1)CC2	ZINC000035987467	554121318	/nfs/dbraw/zinc/12/13/18/554121318.db2.gz	KDHNFSJEYLWJGC-VWNXMTODSA-N	0	0	526.033	3.417	50	0		KGAARN
Cc1ccccc1C(=O)N1[C@@H](C(=O)NC[C@H]2CCCO2)COC12CCN(C(=O)c1ccc(Cl)cc1)CC2	ZINC000035987468	554121311	/nfs/dbraw/zinc/12/13/11/554121311.db2.gz	KDHNFSJEYLWJGC-ISKFKSNPSA-N	0	0	526.033	3.417	50	0		KGAARN
Cc1ccc(C(=O)N2[C@H](C(=O)NCc3ccncc3)COC23CCN(C(=O)c2cccc(C)c2)CC3)cc1	ZINC000035987538	554121336	/nfs/dbraw/zinc/12/13/36/554121336.db2.gz	UJCNDYUJTPXETA-SANMLTNESA-N	0	0	512.610	3.488	50	0		KGAARN
Cc1ccc(C(=O)N2[C@@H](C(=O)NCc3ccncc3)COC23CCN(C(=O)c2cccc(C)c2)CC3)cc1	ZINC000035987539	554121324	/nfs/dbraw/zinc/12/13/24/554121324.db2.gz	UJCNDYUJTPXETA-AREMUKBSSA-N	0	0	512.610	3.488	50	0		KGAARN
Cc1ccccc1C(=O)N1[C@H](C(=O)NC[C@@H]2CCCO2)COC12CCN(C(=O)c1cccc(Cl)c1)CC2	ZINC000035987588	554121463	/nfs/dbraw/zinc/12/14/63/554121463.db2.gz	XOOYCGDFPXUZOL-UPVQGACJSA-N	0	0	526.033	3.417	50	0		KGAARN
Cc1ccccc1C(=O)N1[C@@H](C(=O)NC[C@@H]2CCCO2)COC12CCN(C(=O)c1cccc(Cl)c1)CC2	ZINC000035987589	554121500	/nfs/dbraw/zinc/12/15/00/554121500.db2.gz	XOOYCGDFPXUZOL-LADGPHEKSA-N	0	0	526.033	3.417	50	0		KGAARN
Cc1ccccc1C(=O)N1[C@H](C(=O)NC[C@H]2CCCO2)COC12CCN(C(=O)c1cccc(Cl)c1)CC2	ZINC000035987590	554121470	/nfs/dbraw/zinc/12/14/70/554121470.db2.gz	XOOYCGDFPXUZOL-VWNXMTODSA-N	0	0	526.033	3.417	50	0		KGAARN
Cc1ccccc1C(=O)N1[C@@H](C(=O)NC[C@H]2CCCO2)COC12CCN(C(=O)c1cccc(Cl)c1)CC2	ZINC000035987591	554121508	/nfs/dbraw/zinc/12/15/08/554121508.db2.gz	XOOYCGDFPXUZOL-ISKFKSNPSA-N	0	0	526.033	3.417	50	0		KGAARN
Cc1ccccc1C(=O)N1[C@H](C(=O)NCc2ccco2)COC12CCN(C(=O)Cc1cccs1)CC2	ZINC000035987594	554121526	/nfs/dbraw/zinc/12/15/26/554121526.db2.gz	VKXBVPUDOGJISY-QHCPKHFHSA-N	0	0	507.612	3.368	50	0		KGAARN
Cc1ccccc1C(=O)N1[C@@H](C(=O)NCc2ccco2)COC12CCN(C(=O)Cc1cccs1)CC2	ZINC000035987595	554121569	/nfs/dbraw/zinc/12/15/69/554121569.db2.gz	VKXBVPUDOGJISY-HSZRJFAPSA-N	0	0	507.612	3.368	50	0		KGAARN
Cc1ccccc1C(=O)N1[C@H](C(=O)NCc2ccccn2)COC12CCN(C(=O)Cc1cccs1)CC2	ZINC000035987604	554121511	/nfs/dbraw/zinc/12/15/11/554121511.db2.gz	YDRHKZIIHPHLKJ-DEOSSOPVSA-N	0	0	518.639	3.170	50	0		KGAARN
Cc1ccccc1C(=O)N1[C@@H](C(=O)NCc2ccccn2)COC12CCN(C(=O)Cc1cccs1)CC2	ZINC000035987605	554121538	/nfs/dbraw/zinc/12/15/38/554121538.db2.gz	YDRHKZIIHPHLKJ-XMMPIXPASA-N	0	0	518.639	3.170	50	0		KGAARN
Cc1ccc(C(=O)N2[C@H](C(=O)NCc3ccccn3)COC23CCN(C(=O)c2cccs2)CC3)cc1	ZINC000035987666	554121865	/nfs/dbraw/zinc/12/18/65/554121865.db2.gz	IEPZXCDMUUJPDF-QFIPXVFZSA-N	0	0	504.612	3.241	50	0		KGAARN
Cc1ccc(C(=O)N2[C@@H](C(=O)NCc3ccccn3)COC23CCN(C(=O)c2cccs2)CC3)cc1	ZINC000035987667	554121803	/nfs/dbraw/zinc/12/18/03/554121803.db2.gz	IEPZXCDMUUJPDF-JOCHJYFZSA-N	0	0	504.612	3.241	50	0		KGAARN
Cc1ccc(C(=O)N2[C@H](C(=O)NCc3cccnc3)COC23CCN(C(=O)c2cccs2)CC3)cc1	ZINC000035987668	554121768	/nfs/dbraw/zinc/12/17/68/554121768.db2.gz	FOHMJCZXHNXGFE-QFIPXVFZSA-N	0	0	504.612	3.241	50	0		KGAARN
Cc1ccc(C(=O)N2[C@@H](C(=O)NCc3cccnc3)COC23CCN(C(=O)c2cccs2)CC3)cc1	ZINC000035987669	554121799	/nfs/dbraw/zinc/12/17/99/554121799.db2.gz	FOHMJCZXHNXGFE-JOCHJYFZSA-N	0	0	504.612	3.241	50	0		KGAARN
Cc1ccc(C(=O)N2[C@H](C(=O)NC[C@@H]3CCCO3)COC23CCN(C(=O)c2ccccc2Cl)CC3)cc1	ZINC000035987678	554121835	/nfs/dbraw/zinc/12/18/35/554121835.db2.gz	JYFBGLQNNDLGHS-URXFXBBRSA-N	0	0	526.033	3.417	50	0		KGAARN
Cc1ccc(C(=O)N2[C@@H](C(=O)NC[C@@H]3CCCO3)COC23CCN(C(=O)c2ccccc2Cl)CC3)cc1	ZINC000035987679	554121873	/nfs/dbraw/zinc/12/18/73/554121873.db2.gz	JYFBGLQNNDLGHS-XUZZJYLKSA-N	0	0	526.033	3.417	50	0		KGAARN
Cc1ccc(C(=O)N2[C@H](C(=O)NC[C@H]3CCCO3)COC23CCN(C(=O)c2ccccc2Cl)CC3)cc1	ZINC000035987680	554121825	/nfs/dbraw/zinc/12/18/25/554121825.db2.gz	JYFBGLQNNDLGHS-QPPBQGQZSA-N	0	0	526.033	3.417	50	0		KGAARN
Cc1ccc(C(=O)N2[C@@H](C(=O)NC[C@H]3CCCO3)COC23CCN(C(=O)c2ccccc2Cl)CC3)cc1	ZINC000035987681	554121788	/nfs/dbraw/zinc/12/17/88/554121788.db2.gz	JYFBGLQNNDLGHS-ZJSXRUAMSA-N	0	0	526.033	3.417	50	0		KGAARN
COc1ccc(C(=O)N2CCC3(CC2)OC[C@@H](C(=O)NCc2ccco2)N3C(=O)c2ccc(C)cc2)cc1	ZINC000035987690	554121860	/nfs/dbraw/zinc/12/18/60/554121860.db2.gz	KWMDBZVMRRUHBJ-VWLOTQADSA-N	0	0	517.582	3.387	50	0		KGAARN
COc1ccc(C(=O)N2CCC3(CC2)OC[C@H](C(=O)NCc2ccco2)N3C(=O)c2ccc(C)cc2)cc1	ZINC000035987691	554121746	/nfs/dbraw/zinc/12/17/46/554121746.db2.gz	KWMDBZVMRRUHBJ-RUZDIDTESA-N	0	0	517.582	3.387	50	0		KGAARN
COc1ccc(C(=O)N2CCC3(CC2)OC[C@@H](C(=O)NCc2ccccn2)N3C(=O)c2ccc(C)cc2)cc1	ZINC000035987698	554121795	/nfs/dbraw/zinc/12/17/95/554121795.db2.gz	MMTLRSQTKCYZCF-SANMLTNESA-N	0	0	528.609	3.189	50	0		KGAARN
COc1ccc(C(=O)N2CCC3(CC2)OC[C@H](C(=O)NCc2ccccn2)N3C(=O)c2ccc(C)cc2)cc1	ZINC000035987699	554121808	/nfs/dbraw/zinc/12/18/08/554121808.db2.gz	MMTLRSQTKCYZCF-AREMUKBSSA-N	0	0	528.609	3.189	50	0		KGAARN
Cc1ccc(C(=O)N2[C@H](C(=O)NCc3ccncc3)COC23CCN(C(=O)c2ccc(C)cc2)CC3)cc1	ZINC000035987724	554121751	/nfs/dbraw/zinc/12/17/51/554121751.db2.gz	CYCFPWLUMIICML-SANMLTNESA-N	0	0	512.610	3.488	50	0		KGAARN
Cc1ccc(C(=O)N2[C@@H](C(=O)NCc3ccncc3)COC23CCN(C(=O)c2ccc(C)cc2)CC3)cc1	ZINC000035987725	554121779	/nfs/dbraw/zinc/12/17/79/554121779.db2.gz	CYCFPWLUMIICML-AREMUKBSSA-N	0	0	512.610	3.488	50	0		KGAARN
Cc1ccc(C(=O)N2[C@H](C(=O)NCc3cccnc3)COC23CCN(C(=O)c2ccc(C)cc2)CC3)cc1	ZINC000035987734	554121856	/nfs/dbraw/zinc/12/18/56/554121856.db2.gz	QIGHWJMXMNGUSB-SANMLTNESA-N	0	0	512.610	3.488	50	0		KGAARN
Cc1ccc(C(=O)N2[C@@H](C(=O)NCc3cccnc3)COC23CCN(C(=O)c2ccc(C)cc2)CC3)cc1	ZINC000035987735	554121776	/nfs/dbraw/zinc/12/17/76/554121776.db2.gz	QIGHWJMXMNGUSB-AREMUKBSSA-N	0	0	512.610	3.488	50	0		KGAARN
Cc1ccc(C(=O)N2[C@H](C(=O)NC[C@@H]3CCCO3)COC23CCN(C(=O)c2ccc(C)cc2)CC3)cc1	ZINC000035987738	554121960	/nfs/dbraw/zinc/12/19/60/554121960.db2.gz	VXQCLRLNKTYOPX-DQEYMECFSA-N	0	0	505.615	3.072	50	0		KGAARN
Cc1ccc(C(=O)N2[C@@H](C(=O)NC[C@@H]3CCCO3)COC23CCN(C(=O)c2ccc(C)cc2)CC3)cc1	ZINC000035987739	554121947	/nfs/dbraw/zinc/12/19/47/554121947.db2.gz	VXQCLRLNKTYOPX-LOSJGSFVSA-N	0	0	505.615	3.072	50	0		KGAARN
Cc1ccc(C(=O)N2[C@H](C(=O)NC[C@H]3CCCO3)COC23CCN(C(=O)c2ccc(C)cc2)CC3)cc1	ZINC000035987740	554122028	/nfs/dbraw/zinc/12/20/28/554122028.db2.gz	VXQCLRLNKTYOPX-RPBOFIJWSA-N	0	0	505.615	3.072	50	0		KGAARN
Cc1ccc(C(=O)N2[C@@H](C(=O)NC[C@H]3CCCO3)COC23CCN(C(=O)c2ccc(C)cc2)CC3)cc1	ZINC000035987741	554122014	/nfs/dbraw/zinc/12/20/14/554122014.db2.gz	VXQCLRLNKTYOPX-JWQCQUIFSA-N	0	0	505.615	3.072	50	0		KGAARN
CC[C@@H](C)NC(=O)[C@@H]1COC2(CCN(C(=O)c3ccc4c(c3)OCO4)CC2)N1C(=O)c1ccc(C)cc1	ZINC000035987772	554121950	/nfs/dbraw/zinc/12/19/50/554121950.db2.gz	ULHXITODLHQBFW-KNQAVFIVSA-N	0	0	507.587	3.112	50	0		KGAARN
CC[C@H](C)NC(=O)[C@@H]1COC2(CCN(C(=O)c3ccc4c(c3)OCO4)CC2)N1C(=O)c1ccc(C)cc1	ZINC000035987773	554121953	/nfs/dbraw/zinc/12/19/53/554121953.db2.gz	ULHXITODLHQBFW-UGKGYDQZSA-N	0	0	507.587	3.112	50	0		KGAARN
CC[C@@H](C)NC(=O)[C@H]1COC2(CCN(C(=O)c3ccc4c(c3)OCO4)CC2)N1C(=O)c1ccc(C)cc1	ZINC000035987774	554122005	/nfs/dbraw/zinc/12/20/05/554122005.db2.gz	ULHXITODLHQBFW-DENIHFKCSA-N	0	0	507.587	3.112	50	0		KGAARN
CC[C@H](C)NC(=O)[C@H]1COC2(CCN(C(=O)c3ccc4c(c3)OCO4)CC2)N1C(=O)c1ccc(C)cc1	ZINC000035987775	554121955	/nfs/dbraw/zinc/12/19/55/554121955.db2.gz	ULHXITODLHQBFW-SIKLNZKXSA-N	0	0	507.587	3.112	50	0		KGAARN
Cc1ccc(C(=O)N2[C@H](C(=O)NC[C@@H]3CCCO3)COC23CCN(C(=O)c2cccc(Cl)c2)CC3)cc1	ZINC000035987782	554122023	/nfs/dbraw/zinc/12/20/23/554122023.db2.gz	KUMRGDZKDWAMRM-ZEQRLZLVSA-N	0	0	526.033	3.417	50	0		KGAARN
Cc1ccc(C(=O)N2[C@@H](C(=O)NC[C@@H]3CCCO3)COC23CCN(C(=O)c2cccc(Cl)c2)CC3)cc1	ZINC000035987783	554122046	/nfs/dbraw/zinc/12/20/46/554122046.db2.gz	KUMRGDZKDWAMRM-BJKOFHAPSA-N	0	0	526.033	3.417	50	0		KGAARN
Cc1ccc(C(=O)N2[C@H](C(=O)NC[C@H]3CCCO3)COC23CCN(C(=O)c2cccc(Cl)c2)CC3)cc1	ZINC000035987784	554122279	/nfs/dbraw/zinc/12/22/79/554122279.db2.gz	KUMRGDZKDWAMRM-RPWUZVMVSA-N	0	0	526.033	3.417	50	0		KGAARN
Cc1ccc(C(=O)N2[C@@H](C(=O)NC[C@H]3CCCO3)COC23CCN(C(=O)c2cccc(Cl)c2)CC3)cc1	ZINC000035987785	554122299	/nfs/dbraw/zinc/12/22/99/554122299.db2.gz	KUMRGDZKDWAMRM-DNQXCXABSA-N	0	0	526.033	3.417	50	0		KGAARN
Cc1ccc(C(=O)N2[C@H](C(=O)NCc3ccncc3)COC23CCN(C(=O)Cc2cccs2)CC3)cc1	ZINC000035987790	554122301	/nfs/dbraw/zinc/12/23/01/554122301.db2.gz	VFUMEWRQADCKMD-DEOSSOPVSA-N	0	0	518.639	3.170	50	0		KGAARN
Cc1ccc(C(=O)N2[C@@H](C(=O)NCc3ccncc3)COC23CCN(C(=O)Cc2cccs2)CC3)cc1	ZINC000035987791	554122239	/nfs/dbraw/zinc/12/22/39/554122239.db2.gz	VFUMEWRQADCKMD-XMMPIXPASA-N	0	0	518.639	3.170	50	0		KGAARN
COc1cccc(C(=O)N2CCC3(CC2)OC[C@@H](C(=O)NCc2ccco2)N3C(=O)c2ccccc2C)c1	ZINC000035987818	554122243	/nfs/dbraw/zinc/12/22/43/554122243.db2.gz	RMWFDJPRRQPASU-VWLOTQADSA-N	0	0	517.582	3.387	50	0		KGAARN
COc1cccc(C(=O)N2CCC3(CC2)OC[C@H](C(=O)NCc2ccco2)N3C(=O)c2ccccc2C)c1	ZINC000035987819	554122228	/nfs/dbraw/zinc/12/22/28/554122228.db2.gz	RMWFDJPRRQPASU-RUZDIDTESA-N	0	0	517.582	3.387	50	0		KGAARN
COc1cccc(C(=O)N2CCC3(CC2)OC[C@@H](C(=O)NCc2ccccn2)N3C(=O)c2ccccc2C)c1	ZINC000035987826	554122275	/nfs/dbraw/zinc/12/22/75/554122275.db2.gz	WUJQUURLLKSEKR-SANMLTNESA-N	0	0	528.609	3.189	50	0		KGAARN
COc1cccc(C(=O)N2CCC3(CC2)OC[C@H](C(=O)NCc2ccccn2)N3C(=O)c2ccccc2C)c1	ZINC000035987827	554122327	/nfs/dbraw/zinc/12/23/27/554122327.db2.gz	WUJQUURLLKSEKR-AREMUKBSSA-N	0	0	528.609	3.189	50	0		KGAARN
COc1cccc(C(=O)N2CCC3(CC2)OC[C@@H](C(=O)NCc2cccnc2)N3C(=O)c2ccccc2C)c1	ZINC000035987828	554122271	/nfs/dbraw/zinc/12/22/71/554122271.db2.gz	MVXUOEYXLPNDRQ-SANMLTNESA-N	0	0	528.609	3.189	50	0		KGAARN
COc1cccc(C(=O)N2CCC3(CC2)OC[C@H](C(=O)NCc2cccnc2)N3C(=O)c2ccccc2C)c1	ZINC000035987829	554122310	/nfs/dbraw/zinc/12/23/10/554122310.db2.gz	MVXUOEYXLPNDRQ-AREMUKBSSA-N	0	0	528.609	3.189	50	0		KGAARN
COc1ccc(C(=O)N2CCC3(CC2)OC[C@@H](C(=O)NC(C)C)N3C(=O)c2ccccc2C)cc1OC	ZINC000035987848	554122268	/nfs/dbraw/zinc/12/22/68/554122268.db2.gz	QXBIQVNGHBPDPN-QFIPXVFZSA-N	0	0	509.603	3.010	50	0		KGAARN
COc1ccc(C(=O)N2CCC3(CC2)OC[C@H](C(=O)NC(C)C)N3C(=O)c2ccccc2C)cc1OC	ZINC000035987849	554122258	/nfs/dbraw/zinc/12/22/58/554122258.db2.gz	QXBIQVNGHBPDPN-JOCHJYFZSA-N	0	0	509.603	3.010	50	0		KGAARN
CC[C@@H](C)NC(=O)[C@@H]1COC2(CCN(C(=O)c3ccc(OC)c(OC)c3)CC2)N1C(=O)c1ccccc1C	ZINC000035987850	554122305	/nfs/dbraw/zinc/12/23/05/554122305.db2.gz	DDLKUUGDJITPEW-OFNKIYASSA-N	0	0	523.630	3.400	50	0		KGAARN
CC[C@H](C)NC(=O)[C@@H]1COC2(CCN(C(=O)c3ccc(OC)c(OC)c3)CC2)N1C(=O)c1ccccc1C	ZINC000035987851	554122314	/nfs/dbraw/zinc/12/23/14/554122314.db2.gz	DDLKUUGDJITPEW-REWPJTCUSA-N	0	0	523.630	3.400	50	0		KGAARN
CC[C@@H](C)NC(=O)[C@H]1COC2(CCN(C(=O)c3ccc(OC)c(OC)c3)CC2)N1C(=O)c1ccccc1C	ZINC000035987852	554122312	/nfs/dbraw/zinc/12/23/12/554122312.db2.gz	DDLKUUGDJITPEW-NFBKMPQASA-N	0	0	523.630	3.400	50	0		KGAARN
CC[C@H](C)NC(=O)[C@H]1COC2(CCN(C(=O)c3ccc(OC)c(OC)c3)CC2)N1C(=O)c1ccccc1C	ZINC000035987853	554122308	/nfs/dbraw/zinc/12/23/08/554122308.db2.gz	DDLKUUGDJITPEW-NZQKXSOJSA-N	0	0	523.630	3.400	50	0		KGAARN
COc1ccc(C(=O)N2CCC3(CC2)OC[C@@H](C(=O)N2CCCC2)N3C(=O)c2ccccc2C)cc1OC	ZINC000035987854	554122282	/nfs/dbraw/zinc/12/22/82/554122282.db2.gz	AKZIOQLFDSGARB-QHCPKHFHSA-N	0	0	521.614	3.108	50	0		KGAARN
COc1ccc(C(=O)N2CCC3(CC2)OC[C@H](C(=O)N2CCCC2)N3C(=O)c2ccccc2C)cc1OC	ZINC000035987855	554122254	/nfs/dbraw/zinc/12/22/54/554122254.db2.gz	AKZIOQLFDSGARB-HSZRJFAPSA-N	0	0	521.614	3.108	50	0		KGAARN
COc1cc(-c2ncc(C(=O)N3CCN(C)CC3)c(N3CCc4ccccc4C3)n2)cc(OC)c1OC	ZINC000035987908	554122546	/nfs/dbraw/zinc/12/25/46/554122546.db2.gz	CJDZDDVTSQZSIS-UHFFFAOYSA-N	0	0	503.603	3.120	50	0		KGAARN
CCOC(=O)C1CCN(C(=O)[C@@H](Cc2ccccc2)NC(=O)c2cc(-c3ccc(OC)cc3)on2)CC1	ZINC000035989300	554122891	/nfs/dbraw/zinc/12/28/91/554122891.db2.gz	AXHXJVOAKQPDED-XMMPIXPASA-N	0	0	505.571	3.493	50	0		KGAARN
CCOC(=O)C1CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)c2cc(-c3ccc(OC)cc3)on2)CC1	ZINC000035989301	554122799	/nfs/dbraw/zinc/12/27/99/554122799.db2.gz	AXHXJVOAKQPDED-DEOSSOPVSA-N	0	0	505.571	3.493	50	0		KGAARN
O=C(NCc1ccco1)[C@@H]1COC2(CCN(C(=O)c3ccc(F)cc3)CC2)N1C(=O)c1cccc(F)c1	ZINC000035989887	554122826	/nfs/dbraw/zinc/12/28/26/554122826.db2.gz	JCIYZKPXDFCJTB-QHCPKHFHSA-N	0	0	509.509	3.348	50	0		KGAARN
O=C(NCc1ccco1)[C@H]1COC2(CCN(C(=O)c3ccc(F)cc3)CC2)N1C(=O)c1cccc(F)c1	ZINC000035989888	554122900	/nfs/dbraw/zinc/12/29/00/554122900.db2.gz	JCIYZKPXDFCJTB-HSZRJFAPSA-N	0	0	509.509	3.348	50	0		KGAARN
O=C(NCc1ccccn1)[C@@H]1COC2(CCN(C(=O)c3ccccc3F)CC2)N1C(=O)c1cccc(F)c1	ZINC000035989926	554123067	/nfs/dbraw/zinc/12/30/67/554123067.db2.gz	MZHOAIAIBWNCNW-DEOSSOPVSA-N	0	0	520.536	3.150	50	0		KGAARN
O=C(NCc1ccccn1)[C@H]1COC2(CCN(C(=O)c3ccccc3F)CC2)N1C(=O)c1cccc(F)c1	ZINC000035989927	554123129	/nfs/dbraw/zinc/12/31/29/554123129.db2.gz	MZHOAIAIBWNCNW-XMMPIXPASA-N	0	0	520.536	3.150	50	0		KGAARN
O=C(NCc1cccnc1)[C@@H]1COC2(CCN(C(=O)c3ccccc3F)CC2)N1C(=O)c1cccc(F)c1	ZINC000035989928	554123126	/nfs/dbraw/zinc/12/31/26/554123126.db2.gz	XVHXNYPCOJDCCI-DEOSSOPVSA-N	0	0	520.536	3.150	50	0		KGAARN
O=C(NCc1cccnc1)[C@H]1COC2(CCN(C(=O)c3ccccc3F)CC2)N1C(=O)c1cccc(F)c1	ZINC000035989929	554123083	/nfs/dbraw/zinc/12/30/83/554123083.db2.gz	XVHXNYPCOJDCCI-XMMPIXPASA-N	0	0	520.536	3.150	50	0		KGAARN
Cc1ccccc1C(=O)N1CCC2(CC1)OC[C@@H](C(=O)NCc1ccccn1)N2C(=O)c1cccc(F)c1	ZINC000035989958	554123166	/nfs/dbraw/zinc/12/31/66/554123166.db2.gz	RHWBZVZPIIXKNJ-VWLOTQADSA-N	0	0	516.573	3.319	50	0		KGAARN
Cc1ccccc1C(=O)N1CCC2(CC1)OC[C@H](C(=O)NCc1ccccn1)N2C(=O)c1cccc(F)c1	ZINC000035989959	554123038	/nfs/dbraw/zinc/12/30/38/554123038.db2.gz	RHWBZVZPIIXKNJ-RUZDIDTESA-N	0	0	516.573	3.319	50	0		KGAARN
COCCNC(=O)c1cnc(-c2cc(OC)c(OC)c(OC)c2)nc1N1CCN(c2ccccc2F)CC1	ZINC000035989993	554123463	/nfs/dbraw/zinc/12/34/63/554123463.db2.gz	VOPUGTHQBAVOSW-UHFFFAOYSA-N	0	0	525.581	3.011	50	0		KGAARN
COc1cccc(C(=O)N2[C@H](C(=O)NCc3ccco3)COC23CCN(C(=O)c2ccc(F)cc2)CC3)c1	ZINC000035990000	554123403	/nfs/dbraw/zinc/12/34/03/554123403.db2.gz	BRXNCSMPSXTZGV-DEOSSOPVSA-N	0	0	521.545	3.217	50	0		KGAARN
COc1cccc(C(=O)N2[C@@H](C(=O)NCc3ccco3)COC23CCN(C(=O)c2ccc(F)cc2)CC3)c1	ZINC000035990001	554123426	/nfs/dbraw/zinc/12/34/26/554123426.db2.gz	BRXNCSMPSXTZGV-XMMPIXPASA-N	0	0	521.545	3.217	50	0		KGAARN
COc1cccc(C(=O)N2[C@H](C(=O)NCc3ccccn3)COC23CCN(C(=O)CC(C)(C)C)CC3)c1	ZINC000035990046	554123459	/nfs/dbraw/zinc/12/34/59/554123459.db2.gz	MYRVTOUTDDOIRJ-QHCPKHFHSA-N	0	0	508.619	3.003	50	0		KGAARN
COc1cccc(C(=O)N2[C@@H](C(=O)NCc3ccccn3)COC23CCN(C(=O)CC(C)(C)C)CC3)c1	ZINC000035990047	554123394	/nfs/dbraw/zinc/12/33/94/554123394.db2.gz	MYRVTOUTDDOIRJ-HSZRJFAPSA-N	0	0	508.619	3.003	50	0		KGAARN
COc1cccc(C(=O)N2[C@H](C(=O)NCc3cccnc3)COC23CCN(C(=O)CC(C)(C)C)CC3)c1	ZINC000035990048	554123493	/nfs/dbraw/zinc/12/34/93/554123493.db2.gz	RXJSXRPYLZRMEH-QHCPKHFHSA-N	0	0	508.619	3.003	50	0		KGAARN
COc1cccc(C(=O)N2[C@@H](C(=O)NCc3cccnc3)COC23CCN(C(=O)CC(C)(C)C)CC3)c1	ZINC000035990049	554123530	/nfs/dbraw/zinc/12/35/30/554123530.db2.gz	RXJSXRPYLZRMEH-HSZRJFAPSA-N	0	0	508.619	3.003	50	0		KGAARN
COc1cccc(C(=O)N2[C@H](C(=O)NCc3ccco3)COC23CCN(C(=O)c2ccccc2F)CC3)c1	ZINC000035990056	554123510	/nfs/dbraw/zinc/12/35/10/554123510.db2.gz	SKIJZHOLNJQZIZ-DEOSSOPVSA-N	0	0	521.545	3.217	50	0		KGAARN
COc1cccc(C(=O)N2[C@@H](C(=O)NCc3ccco3)COC23CCN(C(=O)c2ccccc2F)CC3)c1	ZINC000035990057	554123390	/nfs/dbraw/zinc/12/33/90/554123390.db2.gz	SKIJZHOLNJQZIZ-XMMPIXPASA-N	0	0	521.545	3.217	50	0		KGAARN
COc1cccc(C(=O)N2[C@H](C(=O)NCc3ccco3)COC23CCN(C(=O)c2cccc(F)c2)CC3)c1	ZINC000035990075	554123754	/nfs/dbraw/zinc/12/37/54/554123754.db2.gz	KMURVQPOZIUARY-DEOSSOPVSA-N	0	0	521.545	3.217	50	0		KGAARN
COc1cccc(C(=O)N2[C@@H](C(=O)NCc3ccco3)COC23CCN(C(=O)c2cccc(F)c2)CC3)c1	ZINC000035990076	554123768	/nfs/dbraw/zinc/12/37/68/554123768.db2.gz	KMURVQPOZIUARY-XMMPIXPASA-N	0	0	521.545	3.217	50	0		KGAARN
COCc1nc2c(c(C)nn2-c2ccccc2Cl)c(N2CCN(S(=O)(=O)c3ccccc3)CC2)n1	ZINC000035990425	554123651	/nfs/dbraw/zinc/12/36/51/554123651.db2.gz	XTLWRQSQGRRVRD-UHFFFAOYSA-N	0	0	513.023	3.435	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)c3ccc(F)cc3)CC2)N(C)C(=O)N[C@@H]1c1cccc(Cl)c1	ZINC000035991836	554124316	/nfs/dbraw/zinc/12/43/16/554124316.db2.gz	QMHXLTHNGNGMPQ-HSZRJFAPSA-N	0	0	514.985	3.450	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)c3ccc(F)cc3)CC2)N(C)C(=O)N[C@H]1c1cccc(Cl)c1	ZINC000035991837	554124377	/nfs/dbraw/zinc/12/43/77/554124377.db2.gz	QMHXLTHNGNGMPQ-QHCPKHFHSA-N	0	0	514.985	3.450	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)c3cccs3)CC2)N(C)C(=O)N[C@@H]1c1cccc(Cl)c1	ZINC000035991840	554124390	/nfs/dbraw/zinc/12/43/90/554124390.db2.gz	MLLUWTKZRGVHER-OAQYLSRUSA-N	0	0	503.024	3.373	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)c3cccs3)CC2)N(C)C(=O)N[C@H]1c1cccc(Cl)c1	ZINC000035991841	554124272	/nfs/dbraw/zinc/12/42/72/554124272.db2.gz	MLLUWTKZRGVHER-NRFANRHFSA-N	0	0	503.024	3.373	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)c3ccc(F)cc3)CC2)N(CC)C(=O)N[C@H]1c1ccccc1OC	ZINC000035991876	554124339	/nfs/dbraw/zinc/12/43/39/554124339.db2.gz	QNXUTLRUMFIQSG-VWLOTQADSA-N	0	0	524.593	3.196	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)c3ccc(F)cc3)CC2)N(CC)C(=O)N[C@@H]1c1ccccc1OC	ZINC000035991877	554124572	/nfs/dbraw/zinc/12/45/72/554124572.db2.gz	QNXUTLRUMFIQSG-RUZDIDTESA-N	0	0	524.593	3.196	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)c3ccc(C)cc3)[C@H](C)C2)N(C)C(=O)N[C@@H]1c1ccccc1OC	ZINC000035991904	554124564	/nfs/dbraw/zinc/12/45/64/554124564.db2.gz	IZXHQXCUUFITEF-FQRUVTKNSA-N	0	0	520.630	3.363	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)c3ccc(C)cc3)[C@H](C)C2)N(C)C(=O)N[C@H]1c1ccccc1OC	ZINC000035991905	554124622	/nfs/dbraw/zinc/12/46/22/554124622.db2.gz	IZXHQXCUUFITEF-IBVKSMDESA-N	0	0	520.630	3.363	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)c3cccc(F)c3)[C@H](C)C2)N(C)C(=O)N[C@@H]1c1ccccc1OC	ZINC000035991908	554124526	/nfs/dbraw/zinc/12/45/26/554124526.db2.gz	FOONZMUKTBDRGG-IQGLISFBSA-N	0	0	524.593	3.194	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)c3cccc(F)c3)[C@H](C)C2)N(C)C(=O)N[C@H]1c1ccccc1OC	ZINC000035991909	554124600	/nfs/dbraw/zinc/12/46/00/554124600.db2.gz	FOONZMUKTBDRGG-CJAUYULYSA-N	0	0	524.593	3.194	50	0		KGAARN
CCOC(=O)C1=C(CN2CCCN(C(=O)c3ccccc3)CC2)N(C)C(=O)N[C@@H]1c1ccccc1OC	ZINC000035991920	554124514	/nfs/dbraw/zinc/12/45/14/554124514.db2.gz	RFUXXAMBJYNNQF-RUZDIDTESA-N	0	0	506.603	3.057	50	0		KGAARN
CCOC(=O)C1=C(CN2CCCN(C(=O)c3ccccc3)CC2)N(C)C(=O)N[C@H]1c1ccccc1OC	ZINC000035991921	554124592	/nfs/dbraw/zinc/12/45/92/554124592.db2.gz	RFUXXAMBJYNNQF-VWLOTQADSA-N	0	0	506.603	3.057	50	0		KGAARN
CCOC(=O)C1=C(CN2CCCN(C(=O)c3ccc(C)cc3)CC2)N(C)C(=O)N[C@@H]1c1ccccc1OC	ZINC000035991922	554124521	/nfs/dbraw/zinc/12/45/21/554124521.db2.gz	YKLFAFOUQPPFJT-AREMUKBSSA-N	0	0	520.630	3.365	50	0		KGAARN
CCOC(=O)C1=C(CN2CCCN(C(=O)c3ccc(C)cc3)CC2)N(C)C(=O)N[C@H]1c1ccccc1OC	ZINC000035991923	554124544	/nfs/dbraw/zinc/12/45/44/554124544.db2.gz	YKLFAFOUQPPFJT-SANMLTNESA-N	0	0	520.630	3.365	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)c3ccccc3Cl)CC2)N(C)C(=O)N[C@@H]1c1ccccc1F	ZINC000035991952	554124609	/nfs/dbraw/zinc/12/46/09/554124609.db2.gz	SFTIHMOELKPCPM-HSZRJFAPSA-N	0	0	514.985	3.450	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)c3ccccc3Cl)CC2)N(C)C(=O)N[C@H]1c1ccccc1F	ZINC000035991953	554124539	/nfs/dbraw/zinc/12/45/39/554124539.db2.gz	SFTIHMOELKPCPM-QHCPKHFHSA-N	0	0	514.985	3.450	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)c3ccc(F)cc3)[C@H](C)C2)N(C)C(=O)N[C@@H]1c1ccccc1F	ZINC000035991958	554124606	/nfs/dbraw/zinc/12/46/06/554124606.db2.gz	KNJCLSWFTHPETO-MZNJEOGPSA-N	0	0	512.557	3.325	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)c3ccc(F)cc3)[C@H](C)C2)N(C)C(=O)N[C@H]1c1ccccc1F	ZINC000035991959	554124611	/nfs/dbraw/zinc/12/46/11/554124611.db2.gz	KNJCLSWFTHPETO-OSPHWJPCSA-N	0	0	512.557	3.325	50	0		KGAARN
CCOC(=O)C1=C(CN2CCCN(C(=O)c3ccc(OC)cc3)CC2)N(C)C(=O)N[C@@H]1c1ccccc1F	ZINC000035991972	554124532	/nfs/dbraw/zinc/12/45/32/554124532.db2.gz	LTKYEUZOFVDCCZ-RUZDIDTESA-N	0	0	524.593	3.196	50	0		KGAARN
CCOC(=O)C1=C(CN2CCCN(C(=O)c3ccc(OC)cc3)CC2)N(C)C(=O)N[C@H]1c1ccccc1F	ZINC000035991973	554124552	/nfs/dbraw/zinc/12/45/52/554124552.db2.gz	LTKYEUZOFVDCCZ-VWLOTQADSA-N	0	0	524.593	3.196	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)c3ccc(F)cc3)[C@H](C)C2)N(C)C(=O)N[C@@H]1c1ccc(C)cc1	ZINC000035992039	554124833	/nfs/dbraw/zinc/12/48/33/554124833.db2.gz	JHLJSNMHIVTWQP-KBMIEXCESA-N	0	0	508.594	3.494	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)c3ccc(F)cc3)[C@H](C)C2)N(C)C(=O)N[C@H]1c1ccc(C)cc1	ZINC000035992040	554124815	/nfs/dbraw/zinc/12/48/15/554124815.db2.gz	JHLJSNMHIVTWQP-CLOONOSVSA-N	0	0	508.594	3.494	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)c3ccc(OC)cc3)[C@H](C)C2)N(C)C(=O)N[C@@H]1c1ccc(C)cc1	ZINC000035992043	554124831	/nfs/dbraw/zinc/12/48/31/554124831.db2.gz	HYBKWPDYKRXCQS-FQRUVTKNSA-N	0	0	520.630	3.363	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)c3ccc(OC)cc3)[C@H](C)C2)N(C)C(=O)N[C@H]1c1ccc(C)cc1	ZINC000035992044	554124822	/nfs/dbraw/zinc/12/48/22/554124822.db2.gz	HYBKWPDYKRXCQS-IBVKSMDESA-N	0	0	520.630	3.363	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)c3ccccc3F)[C@H](C)C2)N(C)C(=O)N[C@@H]1c1ccc(C)cc1	ZINC000035992053	554124765	/nfs/dbraw/zinc/12/47/65/554124765.db2.gz	VCIVDXPOIADLGK-KBMIEXCESA-N	0	0	508.594	3.494	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)c3ccccc3F)[C@H](C)C2)N(C)C(=O)N[C@H]1c1ccc(C)cc1	ZINC000035992054	554124808	/nfs/dbraw/zinc/12/48/08/554124808.db2.gz	VCIVDXPOIADLGK-CLOONOSVSA-N	0	0	508.594	3.494	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)c3cccc(F)c3)[C@H](C)C2)N(C)C(=O)N[C@@H]1c1ccc(C)cc1	ZINC000035992055	554124792	/nfs/dbraw/zinc/12/47/92/554124792.db2.gz	OKILPFLEGPHHKP-KBMIEXCESA-N	0	0	508.594	3.494	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)c3cccc(F)c3)[C@H](C)C2)N(C)C(=O)N[C@H]1c1ccc(C)cc1	ZINC000035992056	554125020	/nfs/dbraw/zinc/12/50/20/554125020.db2.gz	OKILPFLEGPHHKP-CLOONOSVSA-N	0	0	508.594	3.494	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)c3cccc(OC)c3)[C@H](C)C2)N(C)C(=O)N[C@@H]1c1ccc(C)cc1	ZINC000035992061	554125050	/nfs/dbraw/zinc/12/50/50/554125050.db2.gz	RQRBNTQLDOWPLS-FQRUVTKNSA-N	0	0	520.630	3.363	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)c3cccc(OC)c3)[C@H](C)C2)N(C)C(=O)N[C@H]1c1ccc(C)cc1	ZINC000035992062	554125069	/nfs/dbraw/zinc/12/50/69/554125069.db2.gz	RQRBNTQLDOWPLS-IBVKSMDESA-N	0	0	520.630	3.363	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)C(C)C)CC2)N(CC)C(=O)N[C@H]1c1ccc(C(F)(F)F)cc1	ZINC000035992063	554125062	/nfs/dbraw/zinc/12/50/62/554125062.db2.gz	NHNFCIWRWZHXJS-NRFANRHFSA-N	0	0	510.557	3.409	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)C(C)C)CC2)N(CC)C(=O)N[C@@H]1c1ccc(C(F)(F)F)cc1	ZINC000035992064	554125053	/nfs/dbraw/zinc/12/50/53/554125053.db2.gz	NHNFCIWRWZHXJS-OAQYLSRUSA-N	0	0	510.557	3.409	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)C3CC3)CC2)N(CC)C(=O)N[C@H]1c1ccc(C(F)(F)F)cc1	ZINC000035992069	554125096	/nfs/dbraw/zinc/12/50/96/554125096.db2.gz	ISGCUGHZIILPHY-NRFANRHFSA-N	0	0	508.541	3.163	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)C3CC3)CC2)N(CC)C(=O)N[C@@H]1c1ccc(C(F)(F)F)cc1	ZINC000035992070	554125032	/nfs/dbraw/zinc/12/50/32/554125032.db2.gz	ISGCUGHZIILPHY-OAQYLSRUSA-N	0	0	508.541	3.163	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)C(C)C)[C@H](C)C2)N(C)C(=O)N[C@@H]1c1ccc(C(F)(F)F)cc1	ZINC000035992071	554125027	/nfs/dbraw/zinc/12/50/27/554125027.db2.gz	UDCJLRLFLLQWJA-IIBYNOLFSA-N	0	0	510.557	3.407	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)C(C)C)[C@H](C)C2)N(C)C(=O)N[C@H]1c1ccc(C(F)(F)F)cc1	ZINC000035992072	554125040	/nfs/dbraw/zinc/12/50/40/554125040.db2.gz	UDCJLRLFLLQWJA-IERDGZPVSA-N	0	0	510.557	3.407	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)c3ccc(F)cc3)[C@H](C)C2)N(C)C(=O)N[C@@H]1c1ccc(F)cc1	ZINC000035992079	554125088	/nfs/dbraw/zinc/12/50/88/554125088.db2.gz	RFKLARHLCGRBMN-MZNJEOGPSA-N	0	0	512.557	3.325	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)c3ccc(F)cc3)[C@H](C)C2)N(C)C(=O)N[C@H]1c1ccc(F)cc1	ZINC000035992080	554125075	/nfs/dbraw/zinc/12/50/75/554125075.db2.gz	RFKLARHLCGRBMN-OSPHWJPCSA-N	0	0	512.557	3.325	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)c3cccs3)[C@H](C)C2)N(C)C(=O)N[C@@H]1c1ccc(F)cc1	ZINC000035992087	554125022	/nfs/dbraw/zinc/12/50/22/554125022.db2.gz	ZYXSGZQSRALAPX-OPAMFIHVSA-N	0	0	500.596	3.247	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)c3cccs3)[C@H](C)C2)N(C)C(=O)N[C@H]1c1ccc(F)cc1	ZINC000035992088	554125077	/nfs/dbraw/zinc/12/50/77/554125077.db2.gz	ZYXSGZQSRALAPX-ZHRRBRCNSA-N	0	0	500.596	3.247	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)c3ccc(OC)cc3)[C@H](C)C2)N(C)C(=O)N[C@@H]1c1ccc(F)cc1	ZINC000035992091	554125038	/nfs/dbraw/zinc/12/50/38/554125038.db2.gz	AWTQYDUOKRAXKR-IQGLISFBSA-N	0	0	524.593	3.194	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)c3ccc(OC)cc3)[C@H](C)C2)N(C)C(=O)N[C@H]1c1ccc(F)cc1	ZINC000035992092	554125082	/nfs/dbraw/zinc/12/50/82/554125082.db2.gz	AWTQYDUOKRAXKR-CJAUYULYSA-N	0	0	524.593	3.194	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)c3ccc(C)cc3)[C@H](C)C2)N(C)C(=O)N[C@@H]1c1ccc(F)cc1	ZINC000035992097	554125043	/nfs/dbraw/zinc/12/50/43/554125043.db2.gz	XMICKHZCZPICBF-KBMIEXCESA-N	0	0	508.594	3.494	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)c3ccc(C)cc3)[C@H](C)C2)N(C)C(=O)N[C@H]1c1ccc(F)cc1	ZINC000035992098	554125072	/nfs/dbraw/zinc/12/50/72/554125072.db2.gz	XMICKHZCZPICBF-CLOONOSVSA-N	0	0	508.594	3.494	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)c3cccc(F)c3)[C@H](C)C2)N(C)C(=O)N[C@@H]1c1ccc(F)cc1	ZINC000035992103	554125035	/nfs/dbraw/zinc/12/50/35/554125035.db2.gz	YRCUOIZTNGKUPY-MZNJEOGPSA-N	0	0	512.557	3.325	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)c3cccc(F)c3)[C@H](C)C2)N(C)C(=O)N[C@H]1c1ccc(F)cc1	ZINC000035992104	554125056	/nfs/dbraw/zinc/12/50/56/554125056.db2.gz	YRCUOIZTNGKUPY-OSPHWJPCSA-N	0	0	512.557	3.325	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)c3ccc(F)cc3)CC2)N(CC)C(=O)N[C@H]1c1cccc(F)c1	ZINC000035992155	554125309	/nfs/dbraw/zinc/12/53/09/554125309.db2.gz	KFQLPNVLCLPOPI-DEOSSOPVSA-N	0	0	512.557	3.326	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)c3ccc(F)cc3)CC2)N(CC)C(=O)N[C@@H]1c1cccc(F)c1	ZINC000035992156	554125342	/nfs/dbraw/zinc/12/53/42/554125342.db2.gz	KFQLPNVLCLPOPI-XMMPIXPASA-N	0	0	512.557	3.326	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)c3cccs3)CC2)N(CC)C(=O)N[C@H]1c1cccc(F)c1	ZINC000035992163	554125328	/nfs/dbraw/zinc/12/53/28/554125328.db2.gz	KNKBVLPPDBADNI-QFIPXVFZSA-N	0	0	500.596	3.249	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)c3cccs3)CC2)N(CC)C(=O)N[C@@H]1c1cccc(F)c1	ZINC000035992164	554125334	/nfs/dbraw/zinc/12/53/34/554125334.db2.gz	KNKBVLPPDBADNI-JOCHJYFZSA-N	0	0	500.596	3.249	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)c3ccc(OC)cc3)CC2)N(CC)C(=O)N[C@H]1c1cccc(F)c1	ZINC000035992167	554125313	/nfs/dbraw/zinc/12/53/13/554125313.db2.gz	OWMFAYRJXVGWMB-VWLOTQADSA-N	0	0	524.593	3.196	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)c3ccc(OC)cc3)CC2)N(CC)C(=O)N[C@@H]1c1cccc(F)c1	ZINC000035992168	554125315	/nfs/dbraw/zinc/12/53/15/554125315.db2.gz	OWMFAYRJXVGWMB-RUZDIDTESA-N	0	0	524.593	3.196	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)c3ccc(C)cc3)CC2)N(CC)C(=O)N[C@H]1c1cccc(F)c1	ZINC000035992173	554125337	/nfs/dbraw/zinc/12/53/37/554125337.db2.gz	LKNFTYZBVOHMSC-VWLOTQADSA-N	0	0	508.594	3.496	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)c3ccc(C)cc3)CC2)N(CC)C(=O)N[C@@H]1c1cccc(F)c1	ZINC000035992174	554125320	/nfs/dbraw/zinc/12/53/20/554125320.db2.gz	LKNFTYZBVOHMSC-RUZDIDTESA-N	0	0	508.594	3.496	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)c3ccccc3F)CC2)N(CC)C(=O)N[C@H]1c1cccc(F)c1	ZINC000035992177	554125302	/nfs/dbraw/zinc/12/53/02/554125302.db2.gz	LSVMFSHOEHHXHY-DEOSSOPVSA-N	0	0	512.557	3.326	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)c3ccccc3F)CC2)N(CC)C(=O)N[C@@H]1c1cccc(F)c1	ZINC000035992178	554125317	/nfs/dbraw/zinc/12/53/17/554125317.db2.gz	LSVMFSHOEHHXHY-XMMPIXPASA-N	0	0	512.557	3.326	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)c3cccc(F)c3)CC2)N(CC)C(=O)N[C@H]1c1cccc(F)c1	ZINC000035992179	554125292	/nfs/dbraw/zinc/12/52/92/554125292.db2.gz	XXTHDYGRTYACPQ-DEOSSOPVSA-N	0	0	512.557	3.326	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)c3cccc(F)c3)CC2)N(CC)C(=O)N[C@@H]1c1cccc(F)c1	ZINC000035992180	554125339	/nfs/dbraw/zinc/12/53/39/554125339.db2.gz	XXTHDYGRTYACPQ-XMMPIXPASA-N	0	0	512.557	3.326	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)c3cccc(OC)c3)CC2)N(CC)C(=O)N[C@H]1c1cccc(F)c1	ZINC000035992185	554125347	/nfs/dbraw/zinc/12/53/47/554125347.db2.gz	HOKCTHIYGPOQTO-VWLOTQADSA-N	0	0	524.593	3.196	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)c3cccc(OC)c3)CC2)N(CC)C(=O)N[C@@H]1c1cccc(F)c1	ZINC000035992186	554125262	/nfs/dbraw/zinc/12/52/62/554125262.db2.gz	HOKCTHIYGPOQTO-RUZDIDTESA-N	0	0	524.593	3.196	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)C3CCCC3)[C@H](C)C2)N(CC)C(=O)N[C@H]1c1cccc(F)c1	ZINC000035992205	554125281	/nfs/dbraw/zinc/12/52/81/554125281.db2.gz	YPFPKALVRWEARD-KOSHJBKYSA-N	0	0	500.615	3.452	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)C3CCCC3)[C@H](C)C2)N(CC)C(=O)N[C@@H]1c1cccc(F)c1	ZINC000035992206	554125324	/nfs/dbraw/zinc/12/53/24/554125324.db2.gz	YPFPKALVRWEARD-HOYKHHGWSA-N	0	0	500.615	3.452	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)NC(C)C)CC2)N(CC)C(=O)N[C@H]1c1ccc(C(F)(F)F)cc1	ZINC000035992241	554125563	/nfs/dbraw/zinc/12/55/63/554125563.db2.gz	ZKXVAHUAVMMZGD-NRFANRHFSA-N	0	0	525.572	3.344	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)NC(C)C)CC2)N(CC)C(=O)N[C@@H]1c1ccc(C(F)(F)F)cc1	ZINC000035992242	554125683	/nfs/dbraw/zinc/12/56/83/554125683.db2.gz	ZKXVAHUAVMMZGD-OAQYLSRUSA-N	0	0	525.572	3.344	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)NC(C)C)[C@H](C)C2)N(C)C(=O)N[C@@H]1c1ccc(C(F)(F)F)cc1	ZINC000035992247	554125597	/nfs/dbraw/zinc/12/55/97/554125597.db2.gz	INUZMJMRINEKGN-IIBYNOLFSA-N	0	0	525.572	3.343	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)NC(C)C)[C@H](C)C2)N(C)C(=O)N[C@H]1c1ccc(C(F)(F)F)cc1	ZINC000035992248	554125623	/nfs/dbraw/zinc/12/56/23/554125623.db2.gz	INUZMJMRINEKGN-IERDGZPVSA-N	0	0	525.572	3.343	50	0		KGAARN
CCNC(=O)N1CCN(CC2=C(C(=O)OCC)[C@H](c3cccc(Oc4ccccc4)c3)NC(=O)N2C)CC1	ZINC000035992259	554125706	/nfs/dbraw/zinc/12/57/06/554125706.db2.gz	OHCAKXGRCDOVFO-VWLOTQADSA-N	0	0	521.618	3.339	50	0		KGAARN
CCNC(=O)N1CCN(CC2=C(C(=O)OCC)[C@@H](c3cccc(Oc4ccccc4)c3)NC(=O)N2C)CC1	ZINC000035992260	554125690	/nfs/dbraw/zinc/12/56/90/554125690.db2.gz	OHCAKXGRCDOVFO-RUZDIDTESA-N	0	0	521.618	3.339	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)NC(C)(C)C)[C@H](C)C2)N(CC)C(=O)N[C@H]1c1cccc(F)c1	ZINC000035992279	554125648	/nfs/dbraw/zinc/12/56/48/554125648.db2.gz	FJGXFQJLEIXJDM-VGSWGCGISA-N	0	0	503.619	3.243	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)NC(C)(C)C)[C@H](C)C2)N(CC)C(=O)N[C@@H]1c1cccc(F)c1	ZINC000035992280	554125632	/nfs/dbraw/zinc/12/56/32/554125632.db2.gz	FJGXFQJLEIXJDM-VGOFRKELSA-N	0	0	503.619	3.243	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)c3ccc(F)cc3)CC2)N(CC)C(=O)N[C@H]1c1ccc(F)cc1	ZINC000035992790	554126141	/nfs/dbraw/zinc/12/61/41/554126141.db2.gz	MQUSWVAUXWSPJR-DEOSSOPVSA-N	0	0	512.557	3.326	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)c3ccc(F)cc3)CC2)N(CC)C(=O)N[C@@H]1c1ccc(F)cc1	ZINC000035992791	554126122	/nfs/dbraw/zinc/12/61/22/554126122.db2.gz	MQUSWVAUXWSPJR-XMMPIXPASA-N	0	0	512.557	3.326	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)c3cccs3)CC2)N(CC)C(=O)N[C@H]1c1ccc(F)cc1	ZINC000035992792	554126031	/nfs/dbraw/zinc/12/60/31/554126031.db2.gz	SSAOYTSIDQMDRU-QFIPXVFZSA-N	0	0	500.596	3.249	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)c3cccs3)CC2)N(CC)C(=O)N[C@@H]1c1ccc(F)cc1	ZINC000035992793	554126166	/nfs/dbraw/zinc/12/61/66/554126166.db2.gz	SSAOYTSIDQMDRU-JOCHJYFZSA-N	0	0	500.596	3.249	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)c3ccccc3F)CC2)N(CC)C(=O)N[C@H]1c1ccc(F)cc1	ZINC000035992798	554126048	/nfs/dbraw/zinc/12/60/48/554126048.db2.gz	ZDOPZSSBAGXNMU-DEOSSOPVSA-N	0	0	512.557	3.326	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)c3ccccc3F)CC2)N(CC)C(=O)N[C@@H]1c1ccc(F)cc1	ZINC000035992799	554126027	/nfs/dbraw/zinc/12/60/27/554126027.db2.gz	ZDOPZSSBAGXNMU-XMMPIXPASA-N	0	0	512.557	3.326	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)c3cccc(F)c3)CC2)N(CC)C(=O)N[C@H]1c1ccc(F)cc1	ZINC000035992800	554126183	/nfs/dbraw/zinc/12/61/83/554126183.db2.gz	LYXWCYZXCXPADF-DEOSSOPVSA-N	0	0	512.557	3.326	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)c3cccc(F)c3)CC2)N(CC)C(=O)N[C@@H]1c1ccc(F)cc1	ZINC000035992801	554126018	/nfs/dbraw/zinc/12/60/18/554126018.db2.gz	LYXWCYZXCXPADF-XMMPIXPASA-N	0	0	512.557	3.326	50	0		KGAARN
CCOC(=O)C1=C(CN2CCCN(C(=O)c3cccc(F)c3)CC2)N(C)C(=O)N[C@@H]1c1ccc(F)cc1	ZINC000035992826	554126382	/nfs/dbraw/zinc/12/63/82/554126382.db2.gz	PVXDYJRPQJFZGC-XMMPIXPASA-N	0	0	512.557	3.326	50	0		KGAARN
CCOC(=O)C1=C(CN2CCCN(C(=O)c3cccc(F)c3)CC2)N(C)C(=O)N[C@H]1c1ccc(F)cc1	ZINC000035992827	554126421	/nfs/dbraw/zinc/12/64/21/554126421.db2.gz	PVXDYJRPQJFZGC-DEOSSOPVSA-N	0	0	512.557	3.326	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)NC(C)(C)C)[C@H](C)C2)N(C)C(=O)N[C@@H]1c1ccccc1Cl	ZINC000035992868	554126460	/nfs/dbraw/zinc/12/64/60/554126460.db2.gz	MKTOXHLYFPQXJU-IIBYNOLFSA-N	0	0	506.047	3.368	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)NC(C)(C)C)[C@H](C)C2)N(C)C(=O)N[C@H]1c1ccccc1Cl	ZINC000035992869	554126470	/nfs/dbraw/zinc/12/64/70/554126470.db2.gz	MKTOXHLYFPQXJU-IERDGZPVSA-N	0	0	506.047	3.368	50	0		KGAARN
CCOC(=O)C1=C(CN2CCCN(C(=O)NC(C)(C)C)CC2)N(C)C(=O)N[C@@H]1c1ccccc1Cl	ZINC000035992876	554126431	/nfs/dbraw/zinc/12/64/31/554126431.db2.gz	IDFIELWVSCWBQK-OAQYLSRUSA-N	0	0	506.047	3.369	50	0		KGAARN
CCOC(=O)C1=C(CN2CCCN(C(=O)NC(C)(C)C)CC2)N(C)C(=O)N[C@H]1c1ccccc1Cl	ZINC000035992877	554126463	/nfs/dbraw/zinc/12/64/63/554126463.db2.gz	IDFIELWVSCWBQK-NRFANRHFSA-N	0	0	506.047	3.369	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)NC(C)(C)C)[C@H](C)C2)N(CC)C(=O)N[C@H]1c1ccc(F)cc1	ZINC000035992890	554126390	/nfs/dbraw/zinc/12/63/90/554126390.db2.gz	PCSSSLNCHIHFQT-VGSWGCGISA-N	0	0	503.619	3.243	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)NC(C)(C)C)[C@H](C)C2)N(CC)C(=O)N[C@@H]1c1ccc(F)cc1	ZINC000035992891	554126418	/nfs/dbraw/zinc/12/64/18/554126418.db2.gz	PCSSSLNCHIHFQT-VGOFRKELSA-N	0	0	503.619	3.243	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)c3ccc(F)cc3)[C@H](C)C2)N(C)C(=O)N[C@@H]1c1ccccc1C	ZINC000035993363	554126674	/nfs/dbraw/zinc/12/66/74/554126674.db2.gz	LHNGICLLRRJAMA-KBMIEXCESA-N	0	0	508.594	3.494	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)c3ccc(F)cc3)[C@H](C)C2)N(C)C(=O)N[C@H]1c1ccccc1C	ZINC000035993364	554126604	/nfs/dbraw/zinc/12/66/04/554126604.db2.gz	LHNGICLLRRJAMA-CLOONOSVSA-N	0	0	508.594	3.494	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)c3ccc(OC)cc3)[C@H](C)C2)N(C)C(=O)N[C@@H]1c1ccccc1C	ZINC000035993373	554126691	/nfs/dbraw/zinc/12/66/91/554126691.db2.gz	IEYFCLKWSUZSIK-FQRUVTKNSA-N	0	0	520.630	3.363	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)c3ccc(OC)cc3)[C@H](C)C2)N(C)C(=O)N[C@H]1c1ccccc1C	ZINC000035993374	554126729	/nfs/dbraw/zinc/12/67/29/554126729.db2.gz	IEYFCLKWSUZSIK-IBVKSMDESA-N	0	0	520.630	3.363	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)c3ccccc3F)[C@H](C)C2)N(C)C(=O)N[C@@H]1c1ccccc1C	ZINC000035993385	554126682	/nfs/dbraw/zinc/12/66/82/554126682.db2.gz	VPGIIEONKNLOGH-KBMIEXCESA-N	0	0	508.594	3.494	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)c3ccccc3F)[C@H](C)C2)N(C)C(=O)N[C@H]1c1ccccc1C	ZINC000035993386	554126694	/nfs/dbraw/zinc/12/66/94/554126694.db2.gz	VPGIIEONKNLOGH-CLOONOSVSA-N	0	0	508.594	3.494	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)c3cccc(F)c3)[C@H](C)C2)N(C)C(=O)N[C@@H]1c1ccccc1C	ZINC000035993387	554126653	/nfs/dbraw/zinc/12/66/53/554126653.db2.gz	SAFLMFDXGXBSDN-KBMIEXCESA-N	0	0	508.594	3.494	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)c3cccc(F)c3)[C@H](C)C2)N(C)C(=O)N[C@H]1c1ccccc1C	ZINC000035993388	554126747	/nfs/dbraw/zinc/12/67/47/554126747.db2.gz	SAFLMFDXGXBSDN-CLOONOSVSA-N	0	0	508.594	3.494	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)c3cccc(OC)c3)[C@H](C)C2)N(C)C(=O)N[C@@H]1c1ccccc1C	ZINC000035993393	554126743	/nfs/dbraw/zinc/12/67/43/554126743.db2.gz	LXERVYQYLDYJII-FQRUVTKNSA-N	0	0	520.630	3.363	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)c3cccc(OC)c3)[C@H](C)C2)N(C)C(=O)N[C@H]1c1ccccc1C	ZINC000035993394	554126756	/nfs/dbraw/zinc/12/67/56/554126756.db2.gz	LXERVYQYLDYJII-IBVKSMDESA-N	0	0	520.630	3.363	50	0		KGAARN
CCOC(=O)C1=C(CN2CCCN(C(=O)c3ccc(F)cc3)CC2)N(C)C(=O)N[C@@H]1c1ccccc1C	ZINC000035993395	554126718	/nfs/dbraw/zinc/12/67/18/554126718.db2.gz	HGNVLEZKFKQYDM-RUZDIDTESA-N	0	0	508.594	3.496	50	0		KGAARN
CCOC(=O)C1=C(CN2CCCN(C(=O)c3ccc(F)cc3)CC2)N(C)C(=O)N[C@H]1c1ccccc1C	ZINC000035993396	554126701	/nfs/dbraw/zinc/12/67/01/554126701.db2.gz	HGNVLEZKFKQYDM-VWLOTQADSA-N	0	0	508.594	3.496	50	0		KGAARN
CCOC(=O)C1=C(CN2CCCN(C(=O)c3ccccc3F)CC2)N(C)C(=O)N[C@@H]1c1ccccc1C	ZINC000035993413	554126639	/nfs/dbraw/zinc/12/66/39/554126639.db2.gz	FWAXKBIIIHXEPJ-RUZDIDTESA-N	0	0	508.594	3.496	50	0		KGAARN
CCOC(=O)C1=C(CN2CCCN(C(=O)c3ccccc3F)CC2)N(C)C(=O)N[C@H]1c1ccccc1C	ZINC000035993414	554126611	/nfs/dbraw/zinc/12/66/11/554126611.db2.gz	FWAXKBIIIHXEPJ-VWLOTQADSA-N	0	0	508.594	3.496	50	0		KGAARN
CCOC(=O)C1=C(CN2CCCN(C(=O)c3cccc(F)c3)CC2)N(C)C(=O)N[C@@H]1c1ccccc1C	ZINC000035993415	554127036	/nfs/dbraw/zinc/12/70/36/554127036.db2.gz	FWSHVEOHDKDOGL-RUZDIDTESA-N	0	0	508.594	3.496	50	0		KGAARN
CCOC(=O)C1=C(CN2CCCN(C(=O)c3cccc(F)c3)CC2)N(C)C(=O)N[C@H]1c1ccccc1C	ZINC000035993416	554127063	/nfs/dbraw/zinc/12/70/63/554127063.db2.gz	FWSHVEOHDKDOGL-VWLOTQADSA-N	0	0	508.594	3.496	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)c3cccs3)CC2)N(C)C(=O)N[C@@H]1c1ccccc1Cl	ZINC000035993431	554127045	/nfs/dbraw/zinc/12/70/45/554127045.db2.gz	ZFHUZFIAYPJGSD-OAQYLSRUSA-N	0	0	503.024	3.373	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)c3cccs3)CC2)N(C)C(=O)N[C@H]1c1ccccc1Cl	ZINC000035993432	554127059	/nfs/dbraw/zinc/12/70/59/554127059.db2.gz	ZFHUZFIAYPJGSD-NRFANRHFSA-N	0	0	503.024	3.373	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)c3ccc(OC)cc3)CC2)N(C)C(=O)N[C@@H]1c1ccccc1Cl	ZINC000035993433	554126972	/nfs/dbraw/zinc/12/69/72/554126972.db2.gz	LCBPKOOXYJFJIR-XMMPIXPASA-N	0	0	527.021	3.320	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)c3ccc(OC)cc3)CC2)N(C)C(=O)N[C@H]1c1ccccc1Cl	ZINC000035993434	554126999	/nfs/dbraw/zinc/12/69/99/554126999.db2.gz	LCBPKOOXYJFJIR-DEOSSOPVSA-N	0	0	527.021	3.320	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)c3ccccc3F)CC2)N(C)C(=O)N[C@@H]1c1ccccc1Cl	ZINC000035993443	554127077	/nfs/dbraw/zinc/12/70/77/554127077.db2.gz	FRXRTEZOZQIXMS-HSZRJFAPSA-N	0	0	514.985	3.450	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)c3ccccc3F)CC2)N(C)C(=O)N[C@H]1c1ccccc1Cl	ZINC000035993444	554126970	/nfs/dbraw/zinc/12/69/70/554126970.db2.gz	FRXRTEZOZQIXMS-QHCPKHFHSA-N	0	0	514.985	3.450	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)c3cccc(F)c3)CC2)N(C)C(=O)N[C@@H]1c1ccccc1Cl	ZINC000035993445	554127074	/nfs/dbraw/zinc/12/70/74/554127074.db2.gz	PXPLWOPMNAWSBM-HSZRJFAPSA-N	0	0	514.985	3.450	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)c3cccc(F)c3)CC2)N(C)C(=O)N[C@H]1c1ccccc1Cl	ZINC000035993446	554126956	/nfs/dbraw/zinc/12/69/56/554126956.db2.gz	PXPLWOPMNAWSBM-QHCPKHFHSA-N	0	0	514.985	3.450	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)c3ccco3)[C@H](C)C2)N(C)C(=O)N[C@@H]1c1ccc(Cl)cc1	ZINC000035993505	554127368	/nfs/dbraw/zinc/12/73/68/554127368.db2.gz	OUJJNSMALOICRU-OPAMFIHVSA-N	0	0	500.983	3.293	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)c3ccco3)[C@H](C)C2)N(C)C(=O)N[C@H]1c1ccc(Cl)cc1	ZINC000035993506	554127267	/nfs/dbraw/zinc/12/72/67/554127267.db2.gz	OUJJNSMALOICRU-ZHRRBRCNSA-N	0	0	500.983	3.293	50	0		KGAARN
COC(=O)c1[nH]c2ccc(Br)cc2c1NC(=O)[C@H](C)N1CCN(C(=O)c2ccco2)CC1	ZINC000035999912	554127395	/nfs/dbraw/zinc/12/73/95/554127395.db2.gz	DKMRYCMOQUAXRK-ZDUSSCGKSA-N	0	0	503.353	3.095	50	0		KGAARN
COC(=O)c1[nH]c2ccc(Br)cc2c1NC(=O)[C@@H](C)N1CCN(C(=O)c2ccco2)CC1	ZINC000035999913	554127207	/nfs/dbraw/zinc/12/72/07/554127207.db2.gz	DKMRYCMOQUAXRK-CYBMUJFWSA-N	0	0	503.353	3.095	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)c3ccc(Cl)cc3)CC2)N(C)C(=O)N[C@@H]1c1cccc(F)c1	ZINC000036000069	554127567	/nfs/dbraw/zinc/12/75/67/554127567.db2.gz	MIOKCVFVSGTLLT-HSZRJFAPSA-N	0	0	514.985	3.450	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)c3ccc(Cl)cc3)CC2)N(C)C(=O)N[C@H]1c1cccc(F)c1	ZINC000036000071	554127656	/nfs/dbraw/zinc/12/76/56/554127656.db2.gz	MIOKCVFVSGTLLT-QHCPKHFHSA-N	0	0	514.985	3.450	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)c3ccc(F)cc3)[C@H](C)C2)N(C)C(=O)N[C@@H]1c1cccc(F)c1	ZINC000036000081	554127534	/nfs/dbraw/zinc/12/75/34/554127534.db2.gz	SAEKBKYFMUZDSX-MZNJEOGPSA-N	0	0	512.557	3.325	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)c3ccc(F)cc3)[C@H](C)C2)N(C)C(=O)N[C@H]1c1cccc(F)c1	ZINC000036000083	554127538	/nfs/dbraw/zinc/12/75/38/554127538.db2.gz	SAEKBKYFMUZDSX-OSPHWJPCSA-N	0	0	512.557	3.325	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)c3cccs3)[C@H](C)C2)N(C)C(=O)N[C@@H]1c1cccc(F)c1	ZINC000036000093	554127634	/nfs/dbraw/zinc/12/76/34/554127634.db2.gz	UGNTZNOHRQTDMX-OPAMFIHVSA-N	0	0	500.596	3.247	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)c3cccs3)[C@H](C)C2)N(C)C(=O)N[C@H]1c1cccc(F)c1	ZINC000036000095	554127669	/nfs/dbraw/zinc/12/76/69/554127669.db2.gz	UGNTZNOHRQTDMX-ZHRRBRCNSA-N	0	0	500.596	3.247	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)c3ccc(OC)cc3)[C@H](C)C2)N(C)C(=O)N[C@@H]1c1cccc(F)c1	ZINC000036000099	554127597	/nfs/dbraw/zinc/12/75/97/554127597.db2.gz	MGNFPMYNJJQFSC-IQGLISFBSA-N	0	0	524.593	3.194	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)c3ccc(OC)cc3)[C@H](C)C2)N(C)C(=O)N[C@H]1c1cccc(F)c1	ZINC000036000101	554127561	/nfs/dbraw/zinc/12/75/61/554127561.db2.gz	MGNFPMYNJJQFSC-CJAUYULYSA-N	0	0	524.593	3.194	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)c3ccc(C)cc3)[C@H](C)C2)N(C)C(=O)N[C@@H]1c1cccc(F)c1	ZINC000036000114	554127650	/nfs/dbraw/zinc/12/76/50/554127650.db2.gz	HXQHFLNREQXIII-KBMIEXCESA-N	0	0	508.594	3.494	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)c3ccc(C)cc3)[C@H](C)C2)N(C)C(=O)N[C@H]1c1cccc(F)c1	ZINC000036000116	554127652	/nfs/dbraw/zinc/12/76/52/554127652.db2.gz	HXQHFLNREQXIII-CLOONOSVSA-N	0	0	508.594	3.494	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)c3ccccc3F)[C@H](C)C2)N(C)C(=O)N[C@@H]1c1cccc(F)c1	ZINC000036000121	554127570	/nfs/dbraw/zinc/12/75/70/554127570.db2.gz	WVDFNTNCUOLAFK-MZNJEOGPSA-N	0	0	512.557	3.325	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)c3ccccc3F)[C@H](C)C2)N(C)C(=O)N[C@H]1c1cccc(F)c1	ZINC000036000123	554127642	/nfs/dbraw/zinc/12/76/42/554127642.db2.gz	WVDFNTNCUOLAFK-OSPHWJPCSA-N	0	0	512.557	3.325	50	0		KGAARN
CCOC(=O)C1=C(CN2CCCN(C(=O)c3ccc(OC)cc3)CC2)N(C)C(=O)N[C@@H]1c1cccc(F)c1	ZINC000036000143	554127615	/nfs/dbraw/zinc/12/76/15/554127615.db2.gz	TVFJRMMHROXROI-RUZDIDTESA-N	0	0	524.593	3.196	50	0		KGAARN
CCOC(=O)C1=C(CN2CCCN(C(=O)c3ccc(OC)cc3)CC2)N(C)C(=O)N[C@H]1c1cccc(F)c1	ZINC000036000145	554127601	/nfs/dbraw/zinc/12/76/01/554127601.db2.gz	TVFJRMMHROXROI-VWLOTQADSA-N	0	0	524.593	3.196	50	0		KGAARN
CCOC(=O)C1=C(CN2CCCN(C(=O)NC(C)(C)C)CC2)N(C)C(=O)N[C@@H]1c1ccc(Cl)cc1	ZINC000036000158	554127587	/nfs/dbraw/zinc/12/75/87/554127587.db2.gz	PPWVWFMYGXMKKD-OAQYLSRUSA-N	0	0	506.047	3.369	50	0		KGAARN
CCOC(=O)C1=C(CN2CCCN(C(=O)NC(C)(C)C)CC2)N(C)C(=O)N[C@H]1c1ccc(Cl)cc1	ZINC000036000159	554127574	/nfs/dbraw/zinc/12/75/74/554127574.db2.gz	PPWVWFMYGXMKKD-NRFANRHFSA-N	0	0	506.047	3.369	50	0		KGAARN
COc1ccc(-c2cc(C(=O)N(CCC(=O)NCc3ccc4c(c3)OCO4)C[C@@H]3CCCO3)no2)cc1	ZINC000036001388	554128683	/nfs/dbraw/zinc/12/86/83/554128683.db2.gz	PCDDDOCQIVIDSO-NRFANRHFSA-N	0	0	507.543	3.407	50	0		KGAARN
COc1ccc(-c2cc(C(=O)N(CCC(=O)NCc3ccc4c(c3)OCO4)C[C@H]3CCCO3)no2)cc1	ZINC000036001389	554128651	/nfs/dbraw/zinc/12/86/51/554128651.db2.gz	PCDDDOCQIVIDSO-OAQYLSRUSA-N	0	0	507.543	3.407	50	0		KGAARN
CCOC(=O)C1CCN(C(=O)CCN(C[C@@H]2CCCO2)C(=O)c2cc(-c3ccc(OC)cc3)on2)CC1	ZINC000036001404	554128674	/nfs/dbraw/zinc/12/86/74/554128674.db2.gz	PKPXVFJLLWSATG-QFIPXVFZSA-N	0	0	513.591	3.163	50	0		KGAARN
CCOC(=O)C1CCN(C(=O)CCN(C[C@H]2CCCO2)C(=O)c2cc(-c3ccc(OC)cc3)on2)CC1	ZINC000036001405	554128680	/nfs/dbraw/zinc/12/86/80/554128680.db2.gz	PKPXVFJLLWSATG-JOCHJYFZSA-N	0	0	513.591	3.163	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)c3ccccc3F)CC2)N(CC)C(=O)N[C@H]1c1cccc(C)c1	ZINC000036001520	554128863	/nfs/dbraw/zinc/12/88/63/554128863.db2.gz	FZPZTXFUIGXCJC-VWLOTQADSA-N	0	0	508.594	3.496	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)c3ccccc3F)CC2)N(CC)C(=O)N[C@@H]1c1cccc(C)c1	ZINC000036001521	554128895	/nfs/dbraw/zinc/12/88/95/554128895.db2.gz	FZPZTXFUIGXCJC-RUZDIDTESA-N	0	0	508.594	3.496	50	0		KGAARN
CCNC(=O)N1CCN(CC2=C(C(=O)OCC)[C@H](c3ccc(C(F)(F)F)cc3)NC(=O)N2CC)C[C@@H]1C	ZINC000036001558	554128889	/nfs/dbraw/zinc/12/88/89/554128889.db2.gz	MSZHOZTVGAUPJJ-KKSFZXQISA-N	0	0	525.572	3.344	50	0		KGAARN
CCNC(=O)N1CCN(CC2=C(C(=O)OCC)[C@H](c3ccc(C(F)(F)F)cc3)NC(=O)N2CC)C[C@H]1C	ZINC000036001559	554128941	/nfs/dbraw/zinc/12/89/41/554128941.db2.gz	MSZHOZTVGAUPJJ-IERDGZPVSA-N	0	0	525.572	3.344	50	0		KGAARN
CCOC(=O)C1=C(CN2CCCN(C(=O)NC(C)C)CC2)N(C)C(=O)N[C@@H]1c1ccc(C(F)(F)F)cc1	ZINC000036001586	554128907	/nfs/dbraw/zinc/12/89/07/554128907.db2.gz	CFXOYWSNJZBQAC-OAQYLSRUSA-N	0	0	525.572	3.344	50	0		KGAARN
CCOC(=O)C1=C(CN2CCCN(C(=O)NC(C)C)CC2)N(C)C(=O)N[C@H]1c1ccc(C(F)(F)F)cc1	ZINC000036001587	554128759	/nfs/dbraw/zinc/12/87/59/554128759.db2.gz	CFXOYWSNJZBQAC-NRFANRHFSA-N	0	0	525.572	3.344	50	0		KGAARN
CCCNC(=O)N1CCCN(CC2=C(C(=O)OCC)[C@H](c3ccc(C(F)(F)F)cc3)NC(=O)N2C)CC1	ZINC000036001588	554128841	/nfs/dbraw/zinc/12/88/41/554128841.db2.gz	FVMCUQOFAPDNRZ-NRFANRHFSA-N	0	0	525.572	3.346	50	0		KGAARN
CCCNC(=O)N1CCCN(CC2=C(C(=O)OCC)[C@@H](c3ccc(C(F)(F)F)cc3)NC(=O)N2C)CC1	ZINC000036001589	554128811	/nfs/dbraw/zinc/12/88/11/554128811.db2.gz	FVMCUQOFAPDNRZ-OAQYLSRUSA-N	0	0	525.572	3.346	50	0		KGAARN
COCc1nc2c(c(C)nn2-c2ccccc2)c(N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)n1	ZINC000036002235	554129115	/nfs/dbraw/zinc/12/91/15/554129115.db2.gz	KWJVGMSNFRCUHT-UHFFFAOYSA-N	0	0	513.023	3.435	50	0		KGAARN
CCOC(=O)C1CCN(C(=O)[C@@H](Cc2ccccc2)NC(=O)c2cc(-c3cccc(OC)c3)on2)CC1	ZINC000036002400	554129189	/nfs/dbraw/zinc/12/91/89/554129189.db2.gz	SULGLZKUCUKUEB-XMMPIXPASA-N	0	0	505.571	3.493	50	0		KGAARN
CCOC(=O)C1CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)c2cc(-c3cccc(OC)c3)on2)CC1	ZINC000036002401	554129207	/nfs/dbraw/zinc/12/92/07/554129207.db2.gz	SULGLZKUCUKUEB-DEOSSOPVSA-N	0	0	505.571	3.493	50	0		KGAARN
CCOC(=O)[C@@H]1CCCN(C(=O)[C@@H](Cc2ccccc2)NC(=O)c2cc(-c3cccc(OC)c3)on2)C1	ZINC000036002404	554129163	/nfs/dbraw/zinc/12/91/63/554129163.db2.gz	RDXQQFBNPBCRJR-ZJSXRUAMSA-N	0	0	505.571	3.493	50	0		KGAARN
CCOC(=O)[C@H]1CCCN(C(=O)[C@@H](Cc2ccccc2)NC(=O)c2cc(-c3cccc(OC)c3)on2)C1	ZINC000036002405	554129107	/nfs/dbraw/zinc/12/91/07/554129107.db2.gz	RDXQQFBNPBCRJR-XUZZJYLKSA-N	0	0	505.571	3.493	50	0		KGAARN
CCOC(=O)[C@@H]1CCCN(C(=O)[C@H](Cc2ccccc2)NC(=O)c2cc(-c3cccc(OC)c3)on2)C1	ZINC000036002406	554129186	/nfs/dbraw/zinc/12/91/86/554129186.db2.gz	RDXQQFBNPBCRJR-QPPBQGQZSA-N	0	0	505.571	3.493	50	0		KGAARN
CCOC(=O)[C@H]1CCCN(C(=O)[C@H](Cc2ccccc2)NC(=O)c2cc(-c3cccc(OC)c3)on2)C1	ZINC000036002407	554129177	/nfs/dbraw/zinc/12/91/77/554129177.db2.gz	RDXQQFBNPBCRJR-URXFXBBRSA-N	0	0	505.571	3.493	50	0		KGAARN
COc1cccc(-c2cc(C(=O)N(CCC(=O)NCc3ccc4c(c3)OCO4)C[C@@H]3CCCO3)no2)c1	ZINC000036002489	554129210	/nfs/dbraw/zinc/12/92/10/554129210.db2.gz	DMCUUQJJGVNCGO-NRFANRHFSA-N	0	0	507.543	3.407	50	0		KGAARN
COc1cccc(-c2cc(C(=O)N(CCC(=O)NCc3ccc4c(c3)OCO4)C[C@H]3CCCO3)no2)c1	ZINC000036002490	554129193	/nfs/dbraw/zinc/12/91/93/554129193.db2.gz	DMCUUQJJGVNCGO-OAQYLSRUSA-N	0	0	507.543	3.407	50	0		KGAARN
CCOC(=O)C1CCN(C(=O)CCN(C[C@@H]2CCCO2)C(=O)c2cc(-c3cccc(OC)c3)on2)CC1	ZINC000036002511	554129124	/nfs/dbraw/zinc/12/91/24/554129124.db2.gz	ULUSLUKACJAIKF-QFIPXVFZSA-N	0	0	513.591	3.163	50	0		KGAARN
CCOC(=O)C1CCN(C(=O)CCN(C[C@H]2CCCO2)C(=O)c2cc(-c3cccc(OC)c3)on2)CC1	ZINC000036002512	554129152	/nfs/dbraw/zinc/12/91/52/554129152.db2.gz	ULUSLUKACJAIKF-JOCHJYFZSA-N	0	0	513.591	3.163	50	0		KGAARN
CCOC(=O)[C@@H]1CCCN(C(=O)CCN(C[C@@H]2CCCO2)C(=O)c2cc(-c3cccc(OC)c3)on2)C1	ZINC000036002515	554129159	/nfs/dbraw/zinc/12/91/59/554129159.db2.gz	ZQYPFCNOFJBXQD-IRLDBZIGSA-N	0	0	513.591	3.163	50	0		KGAARN
CCOC(=O)[C@H]1CCCN(C(=O)CCN(C[C@@H]2CCCO2)C(=O)c2cc(-c3cccc(OC)c3)on2)C1	ZINC000036002516	554129127	/nfs/dbraw/zinc/12/91/27/554129127.db2.gz	ZQYPFCNOFJBXQD-UNMCSNQZSA-N	0	0	513.591	3.163	50	0		KGAARN
CCOC(=O)[C@@H]1CCCN(C(=O)CCN(C[C@H]2CCCO2)C(=O)c2cc(-c3cccc(OC)c3)on2)C1	ZINC000036002517	554129135	/nfs/dbraw/zinc/12/91/35/554129135.db2.gz	ZQYPFCNOFJBXQD-IFMALSPDSA-N	0	0	513.591	3.163	50	0		KGAARN
CCOC(=O)[C@H]1CCCN(C(=O)CCN(C[C@H]2CCCO2)C(=O)c2cc(-c3cccc(OC)c3)on2)C1	ZINC000036002518	554129167	/nfs/dbraw/zinc/12/91/67/554129167.db2.gz	ZQYPFCNOFJBXQD-RBBKRZOGSA-N	0	0	513.591	3.163	50	0		KGAARN
CCOC(=O)C1=C(CN2CCCN(C(=O)c3ccccc3)CC2)N(C)C(=O)N[C@@H]1c1ccc(OC)cc1	ZINC000036003236	554129430	/nfs/dbraw/zinc/12/94/30/554129430.db2.gz	GNUXAXMWKROYQN-RUZDIDTESA-N	0	0	506.603	3.057	50	0		KGAARN
CCOC(=O)C1=C(CN2CCCN(C(=O)c3ccccc3)CC2)N(C)C(=O)N[C@H]1c1ccc(OC)cc1	ZINC000036003237	554129316	/nfs/dbraw/zinc/12/93/16/554129316.db2.gz	GNUXAXMWKROYQN-VWLOTQADSA-N	0	0	506.603	3.057	50	0		KGAARN
CCOC(=O)C1=C(CN2CCCN(C(=O)c3ccccc3F)CC2)N(C)C(=O)N[C@@H]1c1cccc(C)c1	ZINC000036003248	554129289	/nfs/dbraw/zinc/12/92/89/554129289.db2.gz	TXZFZPYZFUCMPC-RUZDIDTESA-N	0	0	508.594	3.496	50	0		KGAARN
CCOC(=O)C1=C(CN2CCCN(C(=O)c3ccccc3F)CC2)N(C)C(=O)N[C@H]1c1cccc(C)c1	ZINC000036003249	554129355	/nfs/dbraw/zinc/12/93/55/554129355.db2.gz	TXZFZPYZFUCMPC-VWLOTQADSA-N	0	0	508.594	3.496	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)c3ccc(F)cc3)CC2)N(C)C(=O)N[C@@H]1c1cc(C)ccc1C	ZINC000036005265	554129937	/nfs/dbraw/zinc/12/99/37/554129937.db2.gz	PLZRLITUSRYRBS-RUZDIDTESA-N	0	0	508.594	3.414	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)c3ccc(F)cc3)CC2)N(C)C(=O)N[C@H]1c1cc(C)ccc1C	ZINC000036005266	554129977	/nfs/dbraw/zinc/12/99/77/554129977.db2.gz	PLZRLITUSRYRBS-VWLOTQADSA-N	0	0	508.594	3.414	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)c3ccc(OC)cc3)CC2)N(C)C(=O)N[C@@H]1c1cc(C)ccc1C	ZINC000036005273	554129869	/nfs/dbraw/zinc/12/98/69/554129869.db2.gz	PJVPBUQRJQBKDK-AREMUKBSSA-N	0	0	520.630	3.283	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)c3ccc(OC)cc3)CC2)N(C)C(=O)N[C@H]1c1cc(C)ccc1C	ZINC000036005274	554129933	/nfs/dbraw/zinc/12/99/33/554129933.db2.gz	PJVPBUQRJQBKDK-SANMLTNESA-N	0	0	520.630	3.283	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)C3CCC3)CC2)N(C)C(=O)N[C@@H]1c1cccc(Cl)c1Cl	ZINC000036005303	554130180	/nfs/dbraw/zinc/13/01/80/554130180.db2.gz	QFBGFFDLEWVXDF-OAQYLSRUSA-N	0	0	509.434	3.451	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)C3CCC3)CC2)N(C)C(=O)N[C@H]1c1cccc(Cl)c1Cl	ZINC000036005304	554130236	/nfs/dbraw/zinc/13/02/36/554130236.db2.gz	QFBGFFDLEWVXDF-NRFANRHFSA-N	0	0	509.434	3.451	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)C3CC3)[C@H](C)C2)N(C)C(=O)N[C@@H]1c1cccc(Cl)c1Cl	ZINC000036005307	554130221	/nfs/dbraw/zinc/13/02/21/554130221.db2.gz	QHMOVIVQRZAFOC-SPLOXXLWSA-N	0	0	509.434	3.449	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)C3CC3)[C@H](C)C2)N(C)C(=O)N[C@H]1c1cccc(Cl)c1Cl	ZINC000036005308	554130229	/nfs/dbraw/zinc/13/02/29/554130229.db2.gz	QHMOVIVQRZAFOC-SZNDQCEHSA-N	0	0	509.434	3.449	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)c3ccco3)CC2)N(CC)C(=O)N[C@H]1c1ccccc1Cl	ZINC000036005315	554130231	/nfs/dbraw/zinc/13/02/31/554130231.db2.gz	SJKLJBKFZIUHID-QFIPXVFZSA-N	0	0	500.983	3.294	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)c3ccco3)CC2)N(CC)C(=O)N[C@@H]1c1ccccc1Cl	ZINC000036005316	554130201	/nfs/dbraw/zinc/13/02/01/554130201.db2.gz	SJKLJBKFZIUHID-JOCHJYFZSA-N	0	0	500.983	3.294	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)c3ccco3)[C@H](C)C2)N(CC)C(=O)N[C@H]1c1ccc(OC)cc1	ZINC000036005329	554130205	/nfs/dbraw/zinc/13/02/05/554130205.db2.gz	CZIYGDRCWLZEBJ-KOSHJBKYSA-N	0	0	510.591	3.038	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)c3ccco3)[C@H](C)C2)N(CC)C(=O)N[C@@H]1c1ccc(OC)cc1	ZINC000036005330	554130226	/nfs/dbraw/zinc/13/02/26/554130226.db2.gz	CZIYGDRCWLZEBJ-HOYKHHGWSA-N	0	0	510.591	3.038	50	0		KGAARN
CCCNC(=O)N1CCN(CC2=C(C(=O)OCC)[C@H](c3ccc(Cl)cc3Cl)NC(=O)N2C)CC1	ZINC000036005411	554130409	/nfs/dbraw/zinc/13/04/09/554130409.db2.gz	XBHRDIATEBDVSJ-FQEVSTJZSA-N	0	0	512.438	3.244	50	0		KGAARN
CCCNC(=O)N1CCN(CC2=C(C(=O)OCC)[C@@H](c3ccc(Cl)cc3Cl)NC(=O)N2C)CC1	ZINC000036005412	554130346	/nfs/dbraw/zinc/13/03/46/554130346.db2.gz	XBHRDIATEBDVSJ-HXUWFJFHSA-N	0	0	512.438	3.244	50	0		KGAARN
CCNC(=O)N1CCN(CC2=C(C(=O)OCC)[C@H](c3ccc(Cl)cc3Cl)NC(=O)N2C)C[C@@H]1C	ZINC000036005413	554130470	/nfs/dbraw/zinc/13/04/70/554130470.db2.gz	CMGAYYKNRNQSPC-XOBRGWDASA-N	0	0	512.438	3.242	50	0		KGAARN
CCNC(=O)N1CCN(CC2=C(C(=O)OCC)[C@H](c3ccc(Cl)cc3Cl)NC(=O)N2C)C[C@H]1C	ZINC000036005414	554130383	/nfs/dbraw/zinc/13/03/83/554130383.db2.gz	CMGAYYKNRNQSPC-VLIAUNLRSA-N	0	0	512.438	3.242	50	0		KGAARN
CCNC(=O)N1CCN(CC2=C(C(=O)OCC)[C@H](c3cccc(Cl)c3Cl)NC(=O)N2C)C[C@@H]1C	ZINC000036005463	554130360	/nfs/dbraw/zinc/13/03/60/554130360.db2.gz	QCSUOSRGOFNKQP-XOBRGWDASA-N	0	0	512.438	3.242	50	0		KGAARN
CCNC(=O)N1CCN(CC2=C(C(=O)OCC)[C@H](c3cccc(Cl)c3Cl)NC(=O)N2C)C[C@H]1C	ZINC000036005464	554130424	/nfs/dbraw/zinc/13/04/24/554130424.db2.gz	QCSUOSRGOFNKQP-VLIAUNLRSA-N	0	0	512.438	3.242	50	0		KGAARN
CCNC(=O)N1CCCN(CC2=C(C(=O)OCC)[C@H](c3cccc(Cl)c3Cl)NC(=O)N2C)CC1	ZINC000036005467	554130396	/nfs/dbraw/zinc/13/03/96/554130396.db2.gz	DTDVOJFCNFTXHU-FQEVSTJZSA-N	0	0	512.438	3.244	50	0		KGAARN
CCNC(=O)N1CCCN(CC2=C(C(=O)OCC)[C@@H](c3cccc(Cl)c3Cl)NC(=O)N2C)CC1	ZINC000036005468	554130411	/nfs/dbraw/zinc/13/04/11/554130411.db2.gz	DTDVOJFCNFTXHU-HXUWFJFHSA-N	0	0	512.438	3.244	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)NC(C)(C)C)CC2)N(CC)C(=O)N[C@H]1c1ccccc1Cl	ZINC000036005469	554130370	/nfs/dbraw/zinc/13/03/70/554130370.db2.gz	GGNQJMSCWFDWGO-NRFANRHFSA-N	0	0	506.047	3.369	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)NC(C)(C)C)CC2)N(CC)C(=O)N[C@@H]1c1ccccc1Cl	ZINC000036005470	554130441	/nfs/dbraw/zinc/13/04/41/554130441.db2.gz	GGNQJMSCWFDWGO-OAQYLSRUSA-N	0	0	506.047	3.369	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)NC(C)C)[C@H](C)C2)N(CC)C(=O)N[C@H]1c1ccccc1Cl	ZINC000036005479	554130474	/nfs/dbraw/zinc/13/04/74/554130474.db2.gz	UJGCVXKVGFTTAQ-VGSWGCGISA-N	0	0	506.047	3.368	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)NC(C)C)[C@H](C)C2)N(CC)C(=O)N[C@@H]1c1ccccc1Cl	ZINC000036005480	554130752	/nfs/dbraw/zinc/13/07/52/554130752.db2.gz	UJGCVXKVGFTTAQ-VGOFRKELSA-N	0	0	506.047	3.368	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)NC(C)(C)C)[C@H](C)C2)N(CC)C(=O)N[C@H]1c1ccc(OC)cc1	ZINC000036005491	554130720	/nfs/dbraw/zinc/13/07/20/554130720.db2.gz	LBQQQKIHPMKYMJ-JPYJTQIMSA-N	0	0	515.655	3.113	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)NC(C)(C)C)[C@H](C)C2)N(CC)C(=O)N[C@@H]1c1ccc(OC)cc1	ZINC000036005492	554130709	/nfs/dbraw/zinc/13/07/09/554130709.db2.gz	LBQQQKIHPMKYMJ-WZONZLPQSA-N	0	0	515.655	3.113	50	0		KGAARN
CCNC(=O)N1CCN(CC2=C(C(=O)OCC)[C@H](c3ccccc3C(F)(F)F)NC(=O)N2CC)C[C@@H]1C	ZINC000036005525	554130722	/nfs/dbraw/zinc/13/07/22/554130722.db2.gz	PHDAACOKUMCTIV-KKSFZXQISA-N	0	0	525.572	3.344	50	0		KGAARN
CCNC(=O)N1CCN(CC2=C(C(=O)OCC)[C@H](c3ccccc3C(F)(F)F)NC(=O)N2CC)C[C@H]1C	ZINC000036005526	554130756	/nfs/dbraw/zinc/13/07/56/554130756.db2.gz	PHDAACOKUMCTIV-IERDGZPVSA-N	0	0	525.572	3.344	50	0		KGAARN
CCNC(=O)N1CCCN(CC2=C(C(=O)OCC)[C@H](c3ccccc3C(F)(F)F)NC(=O)N2CC)CC1	ZINC000036005527	554130728	/nfs/dbraw/zinc/13/07/28/554130728.db2.gz	WKQXCWWBEHKBAV-NRFANRHFSA-N	0	0	525.572	3.346	50	0		KGAARN
CCNC(=O)N1CCCN(CC2=C(C(=O)OCC)[C@@H](c3ccccc3C(F)(F)F)NC(=O)N2CC)CC1	ZINC000036005528	554130762	/nfs/dbraw/zinc/13/07/62/554130762.db2.gz	WKQXCWWBEHKBAV-OAQYLSRUSA-N	0	0	525.572	3.346	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)NC(C)(C)C)CC2)N(C)C(=O)N[C@@H]1c1ccccc1C(F)(F)F	ZINC000036005529	554130708	/nfs/dbraw/zinc/13/07/08/554130708.db2.gz	HJORRLQTSOZKDB-HXUWFJFHSA-N	0	0	525.572	3.344	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)NC(C)(C)C)CC2)N(C)C(=O)N[C@H]1c1ccccc1C(F)(F)F	ZINC000036005530	554130776	/nfs/dbraw/zinc/13/07/76/554130776.db2.gz	HJORRLQTSOZKDB-FQEVSTJZSA-N	0	0	525.572	3.344	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)NC(C)C)[C@H](C)C2)N(C)C(=O)N[C@@H]1c1ccccc1C(F)(F)F	ZINC000036005537	554130726	/nfs/dbraw/zinc/13/07/26/554130726.db2.gz	DFKLKABOHDPBJD-IIBYNOLFSA-N	0	0	525.572	3.343	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)NC(C)C)[C@H](C)C2)N(C)C(=O)N[C@H]1c1ccccc1C(F)(F)F	ZINC000036005538	554130754	/nfs/dbraw/zinc/13/07/54/554130754.db2.gz	DFKLKABOHDPBJD-IERDGZPVSA-N	0	0	525.572	3.343	50	0		KGAARN
CCOC(=O)C1=C(CN2CCCN(C(=O)NC(C)C)CC2)N(C)C(=O)N[C@@H]1c1ccccc1C(F)(F)F	ZINC000036005541	554130714	/nfs/dbraw/zinc/13/07/14/554130714.db2.gz	ZNSVAHJORNHQAV-OAQYLSRUSA-N	0	0	525.572	3.344	50	0		KGAARN
CCOC(=O)C1=C(CN2CCCN(C(=O)NC(C)C)CC2)N(C)C(=O)N[C@H]1c1ccccc1C(F)(F)F	ZINC000036005542	554130736	/nfs/dbraw/zinc/13/07/36/554130736.db2.gz	ZNSVAHJORNHQAV-NRFANRHFSA-N	0	0	525.572	3.344	50	0		KGAARN
COCCN(CC(=O)Nc1ccc(N2CCN(C(=O)Nc3cccc(C(F)(F)F)c3)CC2)cc1)C(C)=O	ZINC000036005963	554131451	/nfs/dbraw/zinc/13/14/51/554131451.db2.gz	GPRIGDOJMPNMIQ-UHFFFAOYSA-N	0	0	521.540	3.493	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)NC(C)(C)C)[C@H](C)C2)N(CC)C(=O)N[C@H]1c1ccccc1F	ZINC000036006713	554131718	/nfs/dbraw/zinc/13/17/18/554131718.db2.gz	LCDNVPLLVHHLIR-VGSWGCGISA-N	0	0	503.619	3.243	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)NC(C)(C)C)[C@H](C)C2)N(CC)C(=O)N[C@@H]1c1ccccc1F	ZINC000036006714	554131770	/nfs/dbraw/zinc/13/17/70/554131770.db2.gz	LCDNVPLLVHHLIR-VGOFRKELSA-N	0	0	503.619	3.243	50	0		KGAARN
CCCCn1c(=O)/c(=C2/Sc3ccccc3N2C)s/c1=C1/C(=O)N(c2ccccc2)C(=S)N1C	ZINC000036008726	554132339	/nfs/dbraw/zinc/13/23/39/554132339.db2.gz	AHMXTSISUCYLER-SRPFLQSCSA-N	0	0	508.694	3.389	50	0		KGAARN
COCCN(Cc1ccc(OC)c(OS(=O)(=O)c2ccc(NC(C)=O)cc2)c1)C(=O)NC(C)(C)C	ZINC000036008858	554132324	/nfs/dbraw/zinc/13/23/24/554132324.db2.gz	AMQQWLJQMDCDAW-UHFFFAOYSA-N	0	0	507.609	3.378	50	0		KGAARN
COCCCNC(=O)CN1c2c(c(C(C)(C)C)nn2C)[C@@H](c2ccc(OC)c(OC)c2)SCC1=O	ZINC000036009504	554132482	/nfs/dbraw/zinc/13/24/82/554132482.db2.gz	MLEJZMRMYNFBSF-JOCHJYFZSA-N	0	0	504.653	3.057	50	0		KGAARN
COCCCNC(=O)CN1c2c(c(C(C)(C)C)nn2C)[C@H](c2ccc(OC)c(OC)c2)SCC1=O	ZINC000036009505	554132529	/nfs/dbraw/zinc/13/25/29/554132529.db2.gz	MLEJZMRMYNFBSF-QFIPXVFZSA-N	0	0	504.653	3.057	50	0		KGAARN
COCCN(CC(=O)Nc1ccc(N2CCN(C(=O)c3ccc(OC)cc3)CC2)cc1)C(=O)c1ccccc1	ZINC000036013025	554133213	/nfs/dbraw/zinc/13/32/13/554133213.db2.gz	VPHSHRAVJDBPGH-UHFFFAOYSA-N	0	0	530.625	3.385	50	0		KGAARN
COCCN(CC(=O)Nc1ccc(N2CCN(C(=O)c3ccc(OC)cc3)CC2)cc1)C(=O)C1CCCC1	ZINC000036013028	554133172	/nfs/dbraw/zinc/13/31/72/554133172.db2.gz	DPDTYHVZEIRSGC-UHFFFAOYSA-N	0	0	522.646	3.261	50	0		KGAARN
COCC(=O)N(CC(=O)Nc1ccc(N2CCN(C(=O)c3ccc(OC)cc3)CC2)cc1)Cc1ccccc1	ZINC000036013035	554133253	/nfs/dbraw/zinc/13/32/53/554133253.db2.gz	AKPXWBAYRCXQLG-UHFFFAOYSA-N	0	0	530.625	3.271	50	0		KGAARN
COCCN(CC(=O)Nc1ccc(N2CCN(C(=O)c3ccc(C)cc3)CC2)cc1)C(=O)c1ccco1	ZINC000036013138	554133457	/nfs/dbraw/zinc/13/34/57/554133457.db2.gz	XQNLBVZELOJQAQ-UHFFFAOYSA-N	0	0	504.587	3.278	50	0		KGAARN
COCCN(CC(=O)Nc1ccc(N2CCN(C(=O)c3ccccc3F)CC2)cc1)C(=O)c1ccco1	ZINC000036013261	554133693	/nfs/dbraw/zinc/13/36/93/554133693.db2.gz	PNYBIXDZOLQWHE-UHFFFAOYSA-N	0	0	508.550	3.108	50	0		KGAARN
COCCN(CC(=O)Nc1ccc(N2CCN(C(=O)c3ccccc3F)CC2)cc1)C(=O)C1CCCC1	ZINC000036013276	554133667	/nfs/dbraw/zinc/13/36/67/554133667.db2.gz	AOQBTLOKKCPZJP-UHFFFAOYSA-N	0	0	510.610	3.392	50	0		KGAARN
COCC(=O)N(CC(=O)Nc1ccc(N2CCN(C(=O)c3ccccc3F)CC2)cc1)Cc1ccccc1	ZINC000036013291	554133686	/nfs/dbraw/zinc/13/36/86/554133686.db2.gz	XVHDIJVRTCFKKR-UHFFFAOYSA-N	0	0	518.589	3.402	50	0		KGAARN
COCCN(CC(=O)Nc1ccc(N2CCN(C(=O)c3cccc(F)c3)CC2)cc1)C(=O)c1ccco1	ZINC000036013371	554133965	/nfs/dbraw/zinc/13/39/65/554133965.db2.gz	YVSCRZIKRVWMBP-UHFFFAOYSA-N	0	0	508.550	3.108	50	0		KGAARN
COCC(=O)N(CC(=O)Nc1ccc(N2CCN(C(=O)c3cccc(F)c3)CC2)cc1)Cc1ccccc1	ZINC000036013393	554133975	/nfs/dbraw/zinc/13/39/75/554133975.db2.gz	MFPKLHYZNCSYJK-UHFFFAOYSA-N	0	0	518.589	3.402	50	0		KGAARN
COCC(=O)N(CC(=O)Nc1ccc(N2CCN(C(=O)NC3CCCCC3)CC2)cc1)Cc1ccccc1	ZINC000036013539	554134299	/nfs/dbraw/zinc/13/42/99/554134299.db2.gz	CICDGWWDQJPVAV-UHFFFAOYSA-N	0	0	521.662	3.465	50	0		KGAARN
COCCN(CC(=O)Nc1ccc(N2CCN(C(=O)c3ccc(C)cc3)CC2)cc1)C(=O)NC(C)(C)C	ZINC000036013583	554134568	/nfs/dbraw/zinc/13/45/68/554134568.db2.gz	RCFPJBGCOPPSAS-UHFFFAOYSA-N	0	0	509.651	3.352	50	0		KGAARN
COCCN(CC(=O)Nc1ccc(N2CCN(C(=O)c3ccccc3F)CC2)cc1)C(=O)NC(C)(C)C	ZINC000036013596	554134553	/nfs/dbraw/zinc/13/45/53/554134553.db2.gz	GUTGHWWHRKQYGY-UHFFFAOYSA-N	0	0	513.614	3.183	50	0		KGAARN
COCCN(CC(=O)Nc1ccc(N2CCN(C(=O)c3cccc(F)c3)CC2)cc1)C(=O)NC(C)(C)C	ZINC000036013610	554134538	/nfs/dbraw/zinc/13/45/38/554134538.db2.gz	GBFKXHLGFDAJBP-UHFFFAOYSA-N	0	0	513.614	3.183	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)NC(C)C)[C@H](C)C2)N(CC)C(=O)N[C@H]1c1ccc(Cl)cc1	ZINC000036013996	554135152	/nfs/dbraw/zinc/13/51/52/554135152.db2.gz	YANQVXLRNBPCJQ-VGSWGCGISA-N	0	0	506.047	3.368	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)NC(C)C)[C@H](C)C2)N(CC)C(=O)N[C@@H]1c1ccc(Cl)cc1	ZINC000036013998	554135101	/nfs/dbraw/zinc/13/51/01/554135101.db2.gz	YANQVXLRNBPCJQ-VGOFRKELSA-N	0	0	506.047	3.368	50	0		KGAARN
CCCNC(=O)N1CCN(CC2=C(C(=O)OCC)[C@H](c3ccc(Cl)cc3)NC(=O)N2CC)C[C@@H]1C	ZINC000036013999	554135089	/nfs/dbraw/zinc/13/50/89/554135089.db2.gz	ZMVOCVRXTCAGML-JTSKRJEESA-N	0	0	506.047	3.369	50	0		KGAARN
CCCNC(=O)N1CCN(CC2=C(C(=O)OCC)[C@H](c3ccc(Cl)cc3)NC(=O)N2CC)C[C@H]1C	ZINC000036014001	554135090	/nfs/dbraw/zinc/13/50/90/554135090.db2.gz	ZMVOCVRXTCAGML-VGSWGCGISA-N	0	0	506.047	3.369	50	0		KGAARN
CCOC(=O)C1=C(CN2CCCN(C(=O)NC(C)C)CC2)N(CC)C(=O)N[C@H]1c1ccc(Cl)cc1	ZINC000036014009	554135121	/nfs/dbraw/zinc/13/51/21/554135121.db2.gz	WWDPEKVHEILCGN-QFIPXVFZSA-N	0	0	506.047	3.369	50	0		KGAARN
CCOC(=O)C1=C(CN2CCCN(C(=O)NC(C)C)CC2)N(CC)C(=O)N[C@@H]1c1ccc(Cl)cc1	ZINC000036014011	554135092	/nfs/dbraw/zinc/13/50/92/554135092.db2.gz	WWDPEKVHEILCGN-JOCHJYFZSA-N	0	0	506.047	3.369	50	0		KGAARN
CCCNC(=O)N1CCCN(CC2=C(C(=O)OCC)[C@H](c3ccc(Cl)cc3)NC(=O)N2CC)CC1	ZINC000036014013	554135103	/nfs/dbraw/zinc/13/51/03/554135103.db2.gz	AQSWUKGVPMFMSV-QFIPXVFZSA-N	0	0	506.047	3.371	50	0		KGAARN
CCCNC(=O)N1CCCN(CC2=C(C(=O)OCC)[C@@H](c3ccc(Cl)cc3)NC(=O)N2CC)CC1	ZINC000036014014	554135141	/nfs/dbraw/zinc/13/51/41/554135141.db2.gz	AQSWUKGVPMFMSV-JOCHJYFZSA-N	0	0	506.047	3.371	50	0		KGAARN
COc1ccc(OC)c(-c2cc(C(=O)N[C@@H](Cc3ccccc3)C(=O)NCCc3ccccn3)no2)c1	ZINC000036014789	554135447	/nfs/dbraw/zinc/13/54/47/554135447.db2.gz	FHNDHINIYHYMML-QHCPKHFHSA-N	0	0	500.555	3.454	50	0		KGAARN
COc1ccc(OC)c(-c2cc(C(=O)N[C@H](Cc3ccccc3)C(=O)NCCc3ccccn3)no2)c1	ZINC000036014793	554135383	/nfs/dbraw/zinc/13/53/83/554135383.db2.gz	FHNDHINIYHYMML-HSZRJFAPSA-N	0	0	500.555	3.454	50	0		KGAARN
COc1ccc(OC)c(-c2cc(C(=O)N(CCC(=O)NCCc3ccccn3)C[C@@H]3CCCO3)no2)c1	ZINC000036015262	554135424	/nfs/dbraw/zinc/13/54/24/554135424.db2.gz	LVDVMXKQOVDVMV-NRFANRHFSA-N	0	0	508.575	3.124	50	0		KGAARN
COc1ccc(OC)c(-c2cc(C(=O)N(CCC(=O)NCCc3ccccn3)C[C@H]3CCCO3)no2)c1	ZINC000036015264	554135409	/nfs/dbraw/zinc/13/54/09/554135409.db2.gz	LVDVMXKQOVDVMV-OAQYLSRUSA-N	0	0	508.575	3.124	50	0		KGAARN
CCCS(=O)(=O)Nc1ccc(N(C)C)c(CN(CCOC)S(=O)(=O)c2cccc(Cl)c2)c1	ZINC000036015786	554135777	/nfs/dbraw/zinc/13/57/77/554135777.db2.gz	DOAHYRZCYNLZPE-UHFFFAOYSA-N	0	0	504.074	3.395	50	0		KGAARN
COCCN(CC(=O)Nc1ccc(N2CCN(C(=O)NC(C)(C)C)CC2)cc1)C(=O)c1ccc(OC)cc1	ZINC000036016453	554135769	/nfs/dbraw/zinc/13/57/69/554135769.db2.gz	NOFJCYXHAPGLHI-UHFFFAOYSA-N	0	0	525.650	3.053	50	0		KGAARN
COCC(=O)N(CC(=O)Nc1ccc(N2CCN(C(=O)NC(C)(C)C)CC2)cc1)Cc1ccc(F)cc1	ZINC000036016539	554135729	/nfs/dbraw/zinc/13/57/29/554135729.db2.gz	UUEHBZKMRPUYDR-UHFFFAOYSA-N	0	0	513.614	3.070	50	0		KGAARN
C=CCN1C(=O)N[C@H](c2ccsc2)C(C(=O)OCC)=C1CN1CCN(C(=O)NC(C)(C)C)[C@H](C)C1	ZINC000036016901	554136013	/nfs/dbraw/zinc/13/60/13/554136013.db2.gz	MVLHUZSYJBIQLU-DYESRHJHSA-N	0	0	503.669	3.332	50	0		KGAARN
C=CCN1C(=O)N[C@@H](c2ccsc2)C(C(=O)OCC)=C1CN1CCN(C(=O)NC(C)(C)C)[C@H](C)C1	ZINC000036016903	554136007	/nfs/dbraw/zinc/13/60/07/554136007.db2.gz	MVLHUZSYJBIQLU-UTKZUKDTSA-N	0	0	503.669	3.332	50	0		KGAARN
CCCNC(=O)N1CCCN(CC2=C(C(=O)OCC)[C@H](c3cccc(Cl)c3)NC(=O)N2CC)CC1	ZINC000036017113	554136051	/nfs/dbraw/zinc/13/60/51/554136051.db2.gz	XBLCLQHGKSHNPG-QFIPXVFZSA-N	0	0	506.047	3.371	50	0		KGAARN
CCCNC(=O)N1CCCN(CC2=C(C(=O)OCC)[C@@H](c3cccc(Cl)c3)NC(=O)N2CC)CC1	ZINC000036017114	554136022	/nfs/dbraw/zinc/13/60/22/554136022.db2.gz	XBLCLQHGKSHNPG-JOCHJYFZSA-N	0	0	506.047	3.371	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)NC(C)(C)C)[C@H](C)C2)N(CC)C(=O)N[C@H]1c1ccccc1OC	ZINC000036017168	554136265	/nfs/dbraw/zinc/13/62/65/554136265.db2.gz	DZWQTTAQMTVJHM-JPYJTQIMSA-N	0	0	515.655	3.113	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)NC(C)(C)C)[C@H](C)C2)N(CC)C(=O)N[C@@H]1c1ccccc1OC	ZINC000036017170	554136267	/nfs/dbraw/zinc/13/62/67/554136267.db2.gz	DZWQTTAQMTVJHM-WZONZLPQSA-N	0	0	515.655	3.113	50	0		KGAARN
CCOC(=O)C1=C(CN2CCCN(C(=O)NC(C)(C)C)CC2)N(CC)C(=O)N[C@H]1c1ccccc1OC	ZINC000036017180	554136345	/nfs/dbraw/zinc/13/63/45/554136345.db2.gz	GWYHLXIRZPDTDI-QHCPKHFHSA-N	0	0	515.655	3.114	50	0		KGAARN
CCOC(=O)C1=C(CN2CCCN(C(=O)NC(C)(C)C)CC2)N(CC)C(=O)N[C@@H]1c1ccccc1OC	ZINC000036017182	554136357	/nfs/dbraw/zinc/13/63/57/554136357.db2.gz	GWYHLXIRZPDTDI-HSZRJFAPSA-N	0	0	515.655	3.114	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)c3ccccc3)[C@H](C)C2)N(CC)C(=O)N[C@H]1c1cccc(OC)c1	ZINC000036017243	554136238	/nfs/dbraw/zinc/13/62/38/554136238.db2.gz	YMFKFHMXLNZPAQ-IBVKSMDESA-N	0	0	520.630	3.445	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)c3ccccc3)[C@H](C)C2)N(CC)C(=O)N[C@@H]1c1cccc(OC)c1	ZINC000036017245	554136365	/nfs/dbraw/zinc/13/63/65/554136365.db2.gz	YMFKFHMXLNZPAQ-FQRUVTKNSA-N	0	0	520.630	3.445	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)C3CC3)CC2)N(CC)C(=O)N[C@H]1c1cccc(Cl)c1Cl	ZINC000036017256	554136291	/nfs/dbraw/zinc/13/62/91/554136291.db2.gz	MVRAUMUOZFBBQJ-NRFANRHFSA-N	0	0	509.434	3.451	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)C3CC3)CC2)N(CC)C(=O)N[C@@H]1c1cccc(Cl)c1Cl	ZINC000036017258	554136374	/nfs/dbraw/zinc/13/63/74/554136374.db2.gz	MVRAUMUOZFBBQJ-OAQYLSRUSA-N	0	0	509.434	3.451	50	0		KGAARN
CCNC(=O)N1CCN(CC2=C(C(=O)OCC)[C@H](c3cccc(Cl)c3Cl)NC(=O)N2CC)CC1	ZINC000036017420	554136713	/nfs/dbraw/zinc/13/67/13/554136713.db2.gz	ASBYJZHBOILRMJ-FQEVSTJZSA-N	0	0	512.438	3.244	50	0		KGAARN
CCNC(=O)N1CCN(CC2=C(C(=O)OCC)[C@@H](c3cccc(Cl)c3Cl)NC(=O)N2CC)CC1	ZINC000036017422	554136574	/nfs/dbraw/zinc/13/65/74/554136574.db2.gz	ASBYJZHBOILRMJ-HXUWFJFHSA-N	0	0	512.438	3.244	50	0		KGAARN
Cc1cccc(C(=O)N2CCC3(CC2)OC[C@@H](C(=O)NCc2ccccn2)N3C(=O)c2ccc(F)cc2)c1	ZINC000036017586	554136932	/nfs/dbraw/zinc/13/69/32/554136932.db2.gz	JITZTGVWDAUXOL-VWLOTQADSA-N	0	0	516.573	3.319	50	0		KGAARN
Cc1cccc(C(=O)N2CCC3(CC2)OC[C@H](C(=O)NCc2ccccn2)N3C(=O)c2ccc(F)cc2)c1	ZINC000036017588	554136970	/nfs/dbraw/zinc/13/69/70/554136970.db2.gz	JITZTGVWDAUXOL-RUZDIDTESA-N	0	0	516.573	3.319	50	0		KGAARN
COc1ccc(C(=O)N2[C@H](C(=O)NCc3ccco3)COC23CCN(C(=O)c2ccc(F)cc2)CC3)cc1	ZINC000036018165	554136871	/nfs/dbraw/zinc/13/68/71/554136871.db2.gz	ASMROZUPNRQJJU-DEOSSOPVSA-N	0	0	521.545	3.217	50	0		KGAARN
COc1ccc(C(=O)N2[C@@H](C(=O)NCc3ccco3)COC23CCN(C(=O)c2ccc(F)cc2)CC3)cc1	ZINC000036018168	554136980	/nfs/dbraw/zinc/13/69/80/554136980.db2.gz	ASMROZUPNRQJJU-XMMPIXPASA-N	0	0	521.545	3.217	50	0		KGAARN
COc1ccc(C(=O)N2[C@H](C(=O)NCc3ccccc3)COC23CCN(C(=O)Cc2ccccc2)CC3)cc1	ZINC000036018223	554136922	/nfs/dbraw/zinc/13/69/22/554136922.db2.gz	LRLUFHROVMKOJM-MHZLTWQESA-N	0	0	527.621	3.414	50	0		KGAARN
COc1ccc(C(=O)N2[C@@H](C(=O)NCc3ccccc3)COC23CCN(C(=O)Cc2ccccc2)CC3)cc1	ZINC000036018225	554136978	/nfs/dbraw/zinc/13/69/78/554136978.db2.gz	LRLUFHROVMKOJM-HHHXNRCGSA-N	0	0	527.621	3.414	50	0		KGAARN
O=C(NC[C@@H]1CCCO1)[C@@H]1COC2(CCN(C(=O)c3ccccc3Cl)CC2)N1C(=O)c1ccccc1	ZINC000036018339	554137235	/nfs/dbraw/zinc/13/72/35/554137235.db2.gz	BJKJVWVIVJHHOS-REWPJTCUSA-N	0	0	512.006	3.109	50	0		KGAARN
O=C(NC[C@@H]1CCCO1)[C@H]1COC2(CCN(C(=O)c3ccccc3Cl)CC2)N1C(=O)c1ccccc1	ZINC000036018341	554137137	/nfs/dbraw/zinc/13/71/37/554137137.db2.gz	BJKJVWVIVJHHOS-NZQKXSOJSA-N	0	0	512.006	3.109	50	0		KGAARN
O=C(NC[C@H]1CCCO1)[C@@H]1COC2(CCN(C(=O)c3ccccc3Cl)CC2)N1C(=O)c1ccccc1	ZINC000036018344	554137198	/nfs/dbraw/zinc/13/71/98/554137198.db2.gz	BJKJVWVIVJHHOS-OFNKIYASSA-N	0	0	512.006	3.109	50	0		KGAARN
O=C(NC[C@H]1CCCO1)[C@H]1COC2(CCN(C(=O)c3ccccc3Cl)CC2)N1C(=O)c1ccccc1	ZINC000036018347	554137211	/nfs/dbraw/zinc/13/72/11/554137211.db2.gz	BJKJVWVIVJHHOS-NFBKMPQASA-N	0	0	512.006	3.109	50	0		KGAARN
Cc1ccc(C(=O)N2[C@H](C(=O)NCc3cccnc3)COC23CCN(C(=O)c2ccc(F)cc2)CC3)cc1	ZINC000036018403	554137243	/nfs/dbraw/zinc/13/72/43/554137243.db2.gz	OUAVKGILMSODNM-VWLOTQADSA-N	0	0	516.573	3.319	50	0		KGAARN
Cc1ccc(C(=O)N2[C@@H](C(=O)NCc3cccnc3)COC23CCN(C(=O)c2ccc(F)cc2)CC3)cc1	ZINC000036018406	554137112	/nfs/dbraw/zinc/13/71/12/554137112.db2.gz	OUAVKGILMSODNM-RUZDIDTESA-N	0	0	516.573	3.319	50	0		KGAARN
CCNC(=O)N1CCN(CC2=C(C(=O)OCC)[C@H](c3ccc(Cl)c(Cl)c3)NC(=O)N2CC)CC1	ZINC000036019080	554137177	/nfs/dbraw/zinc/13/71/77/554137177.db2.gz	JMCWSRSSQMWLTI-FQEVSTJZSA-N	0	0	512.438	3.244	50	0		KGAARN
CCNC(=O)N1CCN(CC2=C(C(=O)OCC)[C@@H](c3ccc(Cl)c(Cl)c3)NC(=O)N2CC)CC1	ZINC000036019083	554137152	/nfs/dbraw/zinc/13/71/52/554137152.db2.gz	JMCWSRSSQMWLTI-HXUWFJFHSA-N	0	0	512.438	3.244	50	0		KGAARN
C=CCN1C(=O)N[C@H](c2cccc(F)c2)C(C(=O)OCC)=C1CN1CCN(C(=O)NC(C)(C)C)[C@H](C)C1	ZINC000036019098	554137409	/nfs/dbraw/zinc/13/74/09/554137409.db2.gz	AGFMSWQTCRPGJS-WZONZLPQSA-N	0	0	515.630	3.409	50	0		KGAARN
C=CCN1C(=O)N[C@@H](c2cccc(F)c2)C(C(=O)OCC)=C1CN1CCN(C(=O)NC(C)(C)C)[C@H](C)C1	ZINC000036019099	554137445	/nfs/dbraw/zinc/13/74/45/554137445.db2.gz	AGFMSWQTCRPGJS-JPYJTQIMSA-N	0	0	515.630	3.409	50	0		KGAARN
COCC(=O)Nc1ccc(N2CCN(C(=O)c3ccccc3F)CC2)c(C(=O)NCc2ccc(F)cc2)c1	ZINC000036019217	554137430	/nfs/dbraw/zinc/13/74/30/554137430.db2.gz	CSHJBLUELSOETK-UHFFFAOYSA-N	0	0	522.552	3.442	50	0		KGAARN
COCC(=O)Nc1ccc(N2CCCN(C(=O)c3ccco3)CC2)c(C(=O)NCc2ccc(F)cc2)c1	ZINC000036019242	554137737	/nfs/dbraw/zinc/13/77/37/554137737.db2.gz	YNBVVQFBGLLCDK-UHFFFAOYSA-N	0	0	508.550	3.286	50	0		KGAARN
COc1ccc(C(=O)N2CCN(c3ccc(NC(=O)CC(C)C)cc3C(=O)N3CCOCC3)CC2)cc1	ZINC000036019277	554137692	/nfs/dbraw/zinc/13/76/92/554137692.db2.gz	NGGUZBLTQSROGM-UHFFFAOYSA-N	0	0	508.619	3.115	50	0		KGAARN
COc1ccc(C(=O)N2CCN(c3ccc(NC(=O)c4ccccc4)cc3C(=O)N3CCOCC3)CC2)cc1	ZINC000036019278	554137953	/nfs/dbraw/zinc/13/79/53/554137953.db2.gz	OFWULVJMUWQWRR-UHFFFAOYSA-N	0	0	528.609	3.382	50	0		KGAARN
COc1ccc(C(=O)N2CCN(c3ccc(NC(=O)C4CCCC4)cc3C(=O)N3CCOCC3)CC2)cc1	ZINC000036019280	554138020	/nfs/dbraw/zinc/13/80/20/554138020.db2.gz	KEJXDMQRUYYMLL-UHFFFAOYSA-N	0	0	520.630	3.259	50	0		KGAARN
Cc1ccc(C(=O)N2CCN(c3ccc(NC(=O)c4ccco4)cc3C(=O)N3CCOCC3)CC2)cc1	ZINC000036019293	554138033	/nfs/dbraw/zinc/13/80/33/554138033.db2.gz	LMTRJQWLUVCJIC-UHFFFAOYSA-N	0	0	502.571	3.275	50	0		KGAARN
O=C(Nc1ccc(N2CCN(C(=O)c3ccccc3F)CC2)c(C(=O)N2CCOCC2)c1)C1CCCC1	ZINC000036019313	554137960	/nfs/dbraw/zinc/13/79/60/554137960.db2.gz	UQLVFOXBRZBGBK-UHFFFAOYSA-N	0	0	508.594	3.389	50	0		KGAARN
O=C(Nc1ccc(N2CCN(C(=O)c3cccc(F)c3)CC2)c(C(=O)N2CCOCC2)c1)c1ccco1	ZINC000036019314	554137994	/nfs/dbraw/zinc/13/79/94/554137994.db2.gz	CJDNLPCTOZZTAH-UHFFFAOYSA-N	0	0	506.534	3.106	50	0		KGAARN
O=C(Nc1ccc(N2CCN(C(=O)c3cccc(F)c3)CC2)c(C(=O)N2CCOCC2)c1)C1CCCC1	ZINC000036019321	554138003	/nfs/dbraw/zinc/13/80/03/554138003.db2.gz	UMTCYYSCXKQHQE-UHFFFAOYSA-N	0	0	508.594	3.389	50	0		KGAARN
O=C(Nc1ccc(N2CCN(C(=O)C3CCCC3)CC2)c(C(=O)N2CCOCC2)c1)c1ccc(F)cc1	ZINC000036019322	554138046	/nfs/dbraw/zinc/13/80/46/554138046.db2.gz	FMDXPIFZKNQOSO-UHFFFAOYSA-N	0	0	508.594	3.389	50	0		KGAARN
O=C(Nc1ccc(N2CCN(C(=O)C3CCCC3)CC2)c(C(=O)N2CCOCC2)c1)c1ccccc1F	ZINC000036019330	554137999	/nfs/dbraw/zinc/13/79/99/554137999.db2.gz	SZNOTOBFNFDKSS-UHFFFAOYSA-N	0	0	508.594	3.389	50	0		KGAARN
O=C(Nc1ccc(N2CCN(C(=O)C3CCCC3)CC2)c(C(=O)N2CCOCC2)c1)c1cccc(F)c1	ZINC000036019331	554138038	/nfs/dbraw/zinc/13/80/38/554138038.db2.gz	FEKNIMBDDZHROA-UHFFFAOYSA-N	0	0	508.594	3.389	50	0		KGAARN
COc1cccc(C(=O)Nc2ccc(N3CCN(C(=O)C4CCCC4)CC3)c(C(=O)N3CCOCC3)c2)c1	ZINC000036019334	554137990	/nfs/dbraw/zinc/13/79/90/554137990.db2.gz	LIIHOTXSLGDFFD-UHFFFAOYSA-N	0	0	520.630	3.259	50	0		KGAARN
CC[C@H](C(=O)N1CCN(c2ccc(NC(=O)C3CC3)cc2C(=O)N2CCOCC2)CC1)c1ccccc1	ZINC000036019343	554138029	/nfs/dbraw/zinc/13/80/29/554138029.db2.gz	YGLXQSVXLPAULH-DEOSSOPVSA-N	0	0	504.631	3.350	50	0		KGAARN
CC[C@@H](C(=O)N1CCN(c2ccc(NC(=O)C3CC3)cc2C(=O)N2CCOCC2)CC1)c1ccccc1	ZINC000036019344	554138011	/nfs/dbraw/zinc/13/80/11/554138011.db2.gz	YGLXQSVXLPAULH-XMMPIXPASA-N	0	0	504.631	3.350	50	0		KGAARN
O=C(Nc1ccc(N2CCN(C(=O)C3CC3)CC2)c(C(=O)N2CCCCC2)c1)c1ccc2c(c1)OCO2	ZINC000036019376	554138238	/nfs/dbraw/zinc/13/82/38/554138238.db2.gz	YPUGQLUMLKPWMG-UHFFFAOYSA-N	0	0	504.587	3.352	50	0		KGAARN
COCC(=O)Nc1ccc(N2CCCN(C(=O)NC(C)(C)C)CC2)c(C(=O)NCc2ccc(F)cc2)c1	ZINC000036019526	554138845	/nfs/dbraw/zinc/13/88/45/554138845.db2.gz	GLNQPZYBXOSIEW-UHFFFAOYSA-N	0	0	513.614	3.361	50	0		KGAARN
O=C(Nc1ccc(N2CCN(C(=O)Nc3ccccc3F)CC2)c(C(=O)N2CCOCC2)c1)C1CCC1	ZINC000036019559	554138806	/nfs/dbraw/zinc/13/88/06/554138806.db2.gz	XOVKQBUQQGMFQS-UHFFFAOYSA-N	0	0	509.582	3.391	50	0		KGAARN
O=C(Nc1ccc(N2CCN(C(=O)NC3CCCCC3)CC2)c(C(=O)N2CCOCC2)c1)C1CCCC1	ZINC000036019565	554139097	/nfs/dbraw/zinc/13/90/97/554139097.db2.gz	VPYFEIQEAMVMMG-UHFFFAOYSA-N	0	0	511.667	3.452	50	0		KGAARN
COCc1nc2c(c(C)nn2-c2cccc(Cl)c2)c(N2CCN(S(=O)(=O)c3ccccc3)CC2)n1	ZINC000036019774	554139273	/nfs/dbraw/zinc/13/92/73/554139273.db2.gz	HKGAWACOUNSBHF-UHFFFAOYSA-N	0	0	513.023	3.435	50	0		KGAARN
COc1ccc(C(=O)N2CCC3(CC2)OC[C@@H](C(=O)NCc2cccnc2)N3C(=O)c2ccc(C)cc2)cc1	ZINC000036020674	554139394	/nfs/dbraw/zinc/13/93/94/554139394.db2.gz	VCOLWPMJHGYLNN-SANMLTNESA-N	0	0	528.609	3.189	50	0		KGAARN
COc1ccc(C(=O)N2CCC3(CC2)OC[C@H](C(=O)NCc2cccnc2)N3C(=O)c2ccc(C)cc2)cc1	ZINC000036020675	554139399	/nfs/dbraw/zinc/13/93/99/554139399.db2.gz	VCOLWPMJHGYLNN-AREMUKBSSA-N	0	0	528.609	3.189	50	0		KGAARN
COc1cccc(C(=O)N2[C@H](C(=O)NCc3ccccc3)COC23CCN(C(=O)Cc2ccccc2)CC3)c1	ZINC000036020960	554139537	/nfs/dbraw/zinc/13/95/37/554139537.db2.gz	SDHQLUIVMKAPGQ-MHZLTWQESA-N	0	0	527.621	3.414	50	0		KGAARN
COc1cccc(C(=O)N2[C@@H](C(=O)NCc3ccccc3)COC23CCN(C(=O)Cc2ccccc2)CC3)c1	ZINC000036020961	554139584	/nfs/dbraw/zinc/13/95/84/554139584.db2.gz	SDHQLUIVMKAPGQ-HHHXNRCGSA-N	0	0	527.621	3.414	50	0		KGAARN
CCCN(CC(=O)N1CCN(c2ccc(-c3cccc(OC)c3)nn2)CC1)C(=O)c1cccc(OC)c1	ZINC000036024120	554139987	/nfs/dbraw/zinc/13/99/87/554139987.db2.gz	KGBXIUDFYCNYIE-UHFFFAOYSA-N	0	0	503.603	3.362	50	0		KGAARN
COc1ccc(CCN2C(=O)[C@@H](C(C)C)NC23CCN(S(=O)(=O)c2ccc(F)cc2)CC3)cc1OC	ZINC000036024489	554139979	/nfs/dbraw/zinc/13/99/79/554139979.db2.gz	XVAMWVKOSBESAG-XMMPIXPASA-N	0	0	519.639	3.023	50	0		KGAARN
COc1ccc(CCN2C(=O)[C@H](C(C)C)NC23CCN(S(=O)(=O)c2ccc(F)cc2)CC3)cc1OC	ZINC000036024490	554139858	/nfs/dbraw/zinc/13/98/58/554139858.db2.gz	XVAMWVKOSBESAG-DEOSSOPVSA-N	0	0	519.639	3.023	50	0		KGAARN
C[C@H]1NC2(CCN(S(=O)(=O)c3ccc(Cl)c(Cl)c3)CC2)N(Cc2ccc3c(c2)OCO3)C1=O	ZINC000036024668	554140026	/nfs/dbraw/zinc/14/00/26/554140026.db2.gz	VMCWGCOJKBPMHB-CQSZACIVSA-N	0	0	512.415	3.223	50	0		KGAARN
C[C@@H]1NC2(CCN(S(=O)(=O)c3ccc(Cl)c(Cl)c3)CC2)N(Cc2ccc3c(c2)OCO3)C1=O	ZINC000036024670	554139940	/nfs/dbraw/zinc/13/99/40/554139940.db2.gz	VMCWGCOJKBPMHB-AWEZNQCLSA-N	0	0	512.415	3.223	50	0		KGAARN
COCCN(CC(=O)Nc1cc(N2CCN(C(=O)NC(C)C)CC2)ccc1Cl)C(=O)c1cccs1	ZINC000036025834	554140527	/nfs/dbraw/zinc/14/05/27/554140527.db2.gz	PGPLGHYNIBQOMM-UHFFFAOYSA-N	0	0	522.071	3.369	50	0		KGAARN
COCCN(CC(=O)Nc1cc(N2CCN(C(=O)NC(C)C)CC2)ccc1Cl)C(=O)C1CCCC1	ZINC000036025839	554140466	/nfs/dbraw/zinc/14/04/66/554140466.db2.gz	AUUPDQZELFERBZ-UHFFFAOYSA-N	0	0	508.063	3.184	50	0		KGAARN
O=C(Nc1ccc(N2CCCN(C(=O)Nc3ccccc3F)CC2)c(C(=O)N2CCOCC2)c1)C1CC1	ZINC000036025875	554140500	/nfs/dbraw/zinc/14/05/00/554140500.db2.gz	KHQAQLFROPDNDR-UHFFFAOYSA-N	0	0	509.582	3.391	50	0		KGAARN
CCc1cc(N2CCN(C(C)=O)CC2)nc(SCc2ccc(C(=O)NCCc3ccccn3)cc2)n1	ZINC000036028362	554141540	/nfs/dbraw/zinc/14/15/40/554141540.db2.gz	MXDAHXGWPORSCV-UHFFFAOYSA-N	0	0	504.660	3.367	50	0		KGAARN
COc1ccc(CCN2C(=O)[C@@H](CC(C)C)NC23CCN(C(=O)c2ccc4c(c2)OCO4)CC3)cc1OC	ZINC000036029722	554142193	/nfs/dbraw/zinc/14/21/93/554142193.db2.gz	LUPBCJUYYMZMDK-JOCHJYFZSA-N	0	0	523.630	3.454	50	0		KGAARN
COc1ccc(CCN2C(=O)[C@H](CC(C)C)NC23CCN(C(=O)c2ccc4c(c2)OCO4)CC3)cc1OC	ZINC000036029723	554142117	/nfs/dbraw/zinc/14/21/17/554142117.db2.gz	LUPBCJUYYMZMDK-QFIPXVFZSA-N	0	0	523.630	3.454	50	0		KGAARN
CC(C)Cn1c(CN(CCN2CCOCC2)C(=O)c2ccco2)cnc1S(=O)(=O)Cc1ccccc1	ZINC000036030050	554142210	/nfs/dbraw/zinc/14/22/10/554142210.db2.gz	GIPNGVSYFSNONU-UHFFFAOYSA-N	0	0	514.648	3.081	50	0		KGAARN
CC(C)CC(=O)N(CCN1CCOCC1)Cc1cnc(S(=O)(=O)Cc2ccccc2)n1CC(C)C	ZINC000036030053	554142104	/nfs/dbraw/zinc/14/21/04/554142104.db2.gz	FHIUKJKBGHAVIA-UHFFFAOYSA-N	0	0	504.697	3.220	50	0		KGAARN
CC(C)Cn1c(CN(CCN2CCOCC2)C(=O)c2ccccc2)cnc1S(=O)(=O)Cc1ccccc1	ZINC000036030054	554142155	/nfs/dbraw/zinc/14/21/55/554142155.db2.gz	HWYQXRGWGVLXDK-UHFFFAOYSA-N	0	0	524.687	3.488	50	0		KGAARN
CC(C)Cn1c(CN(CCN2CCOCC2)C(=O)C2CCCC2)cnc1S(=O)(=O)Cc1ccccc1	ZINC000036030056	554142509	/nfs/dbraw/zinc/14/25/09/554142509.db2.gz	CRRVTFNCYFYVNQ-UHFFFAOYSA-N	0	0	516.708	3.364	50	0		KGAARN
COCCN(Cc1cnc(S(=O)(=O)Cc2ccccc2)n1CCOC)C(=O)c1cccc(Cl)c1	ZINC000036030281	554142797	/nfs/dbraw/zinc/14/27/97/554142797.db2.gz	QMAJRDFPONRVBR-UHFFFAOYSA-N	0	0	506.024	3.446	50	0		KGAARN
COCCn1c(CN(C[C@@H]2CCCO2)C(=O)c2ccc(F)cc2)cnc1S(=O)(=O)Cc1ccccc1	ZINC000036030321	554142756	/nfs/dbraw/zinc/14/27/56/554142756.db2.gz	OLLKDZCQAVNUEH-DEOSSOPVSA-N	0	0	515.607	3.464	50	0		KGAARN
COCCn1c(CN(C[C@H]2CCCO2)C(=O)c2ccc(F)cc2)cnc1S(=O)(=O)Cc1ccccc1	ZINC000036030322	554142730	/nfs/dbraw/zinc/14/27/30/554142730.db2.gz	OLLKDZCQAVNUEH-XMMPIXPASA-N	0	0	515.607	3.464	50	0		KGAARN
COCCn1c(CN(C[C@@H]2CCCO2)C(=O)c2cccs2)cnc1S(=O)(=O)Cc1ccccc1	ZINC000036030323	554142778	/nfs/dbraw/zinc/14/27/78/554142778.db2.gz	OIENBANXAZITPO-NRFANRHFSA-N	0	0	503.646	3.386	50	0		KGAARN
COCCn1c(CN(C[C@H]2CCCO2)C(=O)c2cccs2)cnc1S(=O)(=O)Cc1ccccc1	ZINC000036030324	554142724	/nfs/dbraw/zinc/14/27/24/554142724.db2.gz	OIENBANXAZITPO-OAQYLSRUSA-N	0	0	503.646	3.386	50	0		KGAARN
COCCn1c(CN(C[C@@H]2CCCO2)C(=O)c2ccc(OC)cc2)cnc1S(=O)(=O)Cc1ccccc1	ZINC000036030325	554143006	/nfs/dbraw/zinc/14/30/06/554143006.db2.gz	UDACDJQUPFZOLT-VWLOTQADSA-N	0	0	527.643	3.333	50	0		KGAARN
COCCn1c(CN(C[C@H]2CCCO2)C(=O)c2ccc(OC)cc2)cnc1S(=O)(=O)Cc1ccccc1	ZINC000036030326	554143004	/nfs/dbraw/zinc/14/30/04/554143004.db2.gz	UDACDJQUPFZOLT-RUZDIDTESA-N	0	0	527.643	3.333	50	0		KGAARN
COCCn1c(CN(C[C@@H]2CCCO2)C(=O)c2ccccc2F)cnc1S(=O)(=O)Cc1ccccc1	ZINC000036030340	554143042	/nfs/dbraw/zinc/14/30/42/554143042.db2.gz	SRZCSPBRJMRHLN-QFIPXVFZSA-N	0	0	515.607	3.464	50	0		KGAARN
COCCn1c(CN(C[C@H]2CCCO2)C(=O)c2ccccc2F)cnc1S(=O)(=O)Cc1ccccc1	ZINC000036030341	554143002	/nfs/dbraw/zinc/14/30/02/554143002.db2.gz	SRZCSPBRJMRHLN-JOCHJYFZSA-N	0	0	515.607	3.464	50	0		KGAARN
COCCn1c(CN(C[C@@H]2CCCO2)C(=O)c2ccccc2)cnc1S(=O)(=O)Cc1cccc(OC)c1	ZINC000036030422	554143034	/nfs/dbraw/zinc/14/30/34/554143034.db2.gz	KKZYOBAOHKJLPG-VWLOTQADSA-N	0	0	527.643	3.333	50	0		KGAARN
COCCn1c(CN(C[C@H]2CCCO2)C(=O)c2ccccc2)cnc1S(=O)(=O)Cc1cccc(OC)c1	ZINC000036030423	554143037	/nfs/dbraw/zinc/14/30/37/554143037.db2.gz	KKZYOBAOHKJLPG-RUZDIDTESA-N	0	0	527.643	3.333	50	0		KGAARN
COCCn1c(CN(C[C@@H]2CCCO2)C(=O)CC(C)(C)C)cnc1S(=O)(=O)Cc1cccc(OC)c1	ZINC000036030424	554143069	/nfs/dbraw/zinc/14/30/69/554143069.db2.gz	BBBFMTWVYNHLDG-QHCPKHFHSA-N	0	0	521.680	3.456	50	0		KGAARN
COCCn1c(CN(C[C@H]2CCCO2)C(=O)CC(C)(C)C)cnc1S(=O)(=O)Cc1cccc(OC)c1	ZINC000036030425	554142994	/nfs/dbraw/zinc/14/29/94/554142994.db2.gz	BBBFMTWVYNHLDG-HSZRJFAPSA-N	0	0	521.680	3.456	50	0		KGAARN
Cc1ccc(C(=O)N(CCN2CCOCC2)Cc2cnc(S(=O)(=O)Cc3ccccc3)n2C2CC2)cc1	ZINC000036030501	554143317	/nfs/dbraw/zinc/14/33/17/554143317.db2.gz	VMCCRBKGUIRUAP-UHFFFAOYSA-N	0	0	522.671	3.475	50	0		KGAARN
O=C(c1ccccc1F)N(CCN1CCOCC1)Cc1cnc(S(=O)(=O)Cc2ccccc2)n1C1CC1	ZINC000036030503	554143302	/nfs/dbraw/zinc/14/33/02/554143302.db2.gz	CDPSRQDCDSZGKS-UHFFFAOYSA-N	0	0	526.634	3.306	50	0		KGAARN
O=C(c1cccc(F)c1)N(CCN1CCOCC1)Cc1cnc(S(=O)(=O)Cc2ccccc2)n1C1CC1	ZINC000036030504	554143320	/nfs/dbraw/zinc/14/33/20/554143320.db2.gz	RVAXJLSJDYMNBF-UHFFFAOYSA-N	0	0	526.634	3.306	50	0		KGAARN
O=C(C1CCCC1)N(CCN1CCOCC1)Cc1cnc(S(=O)(=O)Cc2ccccc2)n1C1CC1	ZINC000036030505	554143299	/nfs/dbraw/zinc/14/32/99/554143299.db2.gz	QQCTZZXPCHLABT-UHFFFAOYSA-N	0	0	500.665	3.043	50	0		KGAARN
CC(=O)N(CCN1CCOCC1)Cc1cnc(S(=O)(=O)Cc2cccc(C)c2)n1C1CCCCC1	ZINC000036030580	554143324	/nfs/dbraw/zinc/14/33/24/554143324.db2.gz	ZULJGFCYLYAXKN-UHFFFAOYSA-N	0	0	502.681	3.351	50	0		KGAARN
COCCN(Cc1cnc(S(=O)(=O)Cc2ccccc2F)n1C[C@@H]1CCCO1)C(=O)c1ccccc1	ZINC000036030660	554143811	/nfs/dbraw/zinc/14/38/11/554143811.db2.gz	GDMDXWMKROSPDJ-QHCPKHFHSA-N	0	0	515.607	3.464	50	0		KGAARN
COCCN(Cc1cnc(S(=O)(=O)Cc2ccccc2F)n1C[C@H]1CCCO1)C(=O)c1ccccc1	ZINC000036030661	554143850	/nfs/dbraw/zinc/14/38/50/554143850.db2.gz	GDMDXWMKROSPDJ-HSZRJFAPSA-N	0	0	515.607	3.464	50	0		KGAARN
COCCN(Cc1cnc(S(=O)(=O)Cc2ccccc2F)n1C[C@@H]1CCCO1)C(=O)C1CCCC1	ZINC000036030666	554143783	/nfs/dbraw/zinc/14/37/83/554143783.db2.gz	WXEBBHVIBHIETO-QFIPXVFZSA-N	0	0	507.628	3.340	50	0		KGAARN
COCCN(Cc1cnc(S(=O)(=O)Cc2ccccc2F)n1C[C@H]1CCCO1)C(=O)C1CCCC1	ZINC000036030667	554143789	/nfs/dbraw/zinc/14/37/89/554143789.db2.gz	WXEBBHVIBHIETO-JOCHJYFZSA-N	0	0	507.628	3.340	50	0		KGAARN
COCCN(Cc1cnc(S(=O)(=O)Cc2ccccc2F)n1C[C@@H]1CCCO1)C(=O)Cc1ccccc1	ZINC000036030668	554143778	/nfs/dbraw/zinc/14/37/78/554143778.db2.gz	WTIKAEHZEFWBSM-DEOSSOPVSA-N	0	0	529.634	3.393	50	0		KGAARN
COCCN(Cc1cnc(S(=O)(=O)Cc2ccccc2F)n1C[C@H]1CCCO1)C(=O)Cc1ccccc1	ZINC000036030669	554143774	/nfs/dbraw/zinc/14/37/74/554143774.db2.gz	WTIKAEHZEFWBSM-XMMPIXPASA-N	0	0	529.634	3.393	50	0		KGAARN
CC(C)C(=O)N(Cc1cnc(S(=O)(=O)Cc2ccccc2F)n1C[C@@H]1CCCO1)C[C@@H]1CCCO1	ZINC000036030746	554144111	/nfs/dbraw/zinc/14/41/11/554144111.db2.gz	UBRCCPDTHIYKNC-VXKWHMMOSA-N	0	0	507.628	3.339	50	0		KGAARN
CC(C)C(=O)N(Cc1cnc(S(=O)(=O)Cc2ccccc2F)n1C[C@H]1CCCO1)C[C@@H]1CCCO1	ZINC000036030747	554144022	/nfs/dbraw/zinc/14/40/22/554144022.db2.gz	UBRCCPDTHIYKNC-FCHUYYIVSA-N	0	0	507.628	3.339	50	0		KGAARN
CC(C)C(=O)N(Cc1cnc(S(=O)(=O)Cc2ccccc2F)n1C[C@@H]1CCCO1)C[C@H]1CCCO1	ZINC000036030748	554144029	/nfs/dbraw/zinc/14/40/29/554144029.db2.gz	UBRCCPDTHIYKNC-YADHBBJMSA-N	0	0	507.628	3.339	50	0		KGAARN
CC(C)C(=O)N(Cc1cnc(S(=O)(=O)Cc2ccccc2F)n1C[C@H]1CCCO1)C[C@H]1CCCO1	ZINC000036030749	554144126	/nfs/dbraw/zinc/14/41/26/554144126.db2.gz	UBRCCPDTHIYKNC-FGZHOGPDSA-N	0	0	507.628	3.339	50	0		KGAARN
O=C(C1CC1)N(Cc1cnc(S(=O)(=O)Cc2ccccc2F)n1C[C@@H]1CCCO1)C[C@@H]1CCCO1	ZINC000036030754	554144058	/nfs/dbraw/zinc/14/40/58/554144058.db2.gz	ANAFEJOYTKSFAA-VXKWHMMOSA-N	0	0	505.612	3.093	50	0		KGAARN
O=C(C1CC1)N(Cc1cnc(S(=O)(=O)Cc2ccccc2F)n1C[C@H]1CCCO1)C[C@@H]1CCCO1	ZINC000036030755	554144005	/nfs/dbraw/zinc/14/40/05/554144005.db2.gz	ANAFEJOYTKSFAA-FCHUYYIVSA-N	0	0	505.612	3.093	50	0		KGAARN
O=C(C1CC1)N(Cc1cnc(S(=O)(=O)Cc2ccccc2F)n1C[C@@H]1CCCO1)C[C@H]1CCCO1	ZINC000036030756	554144050	/nfs/dbraw/zinc/14/40/50/554144050.db2.gz	ANAFEJOYTKSFAA-YADHBBJMSA-N	0	0	505.612	3.093	50	0		KGAARN
O=C(C1CC1)N(Cc1cnc(S(=O)(=O)Cc2ccccc2F)n1C[C@H]1CCCO1)C[C@H]1CCCO1	ZINC000036030757	554144065	/nfs/dbraw/zinc/14/40/65/554144065.db2.gz	ANAFEJOYTKSFAA-FGZHOGPDSA-N	0	0	505.612	3.093	50	0		KGAARN
COCCN(Cc1cnc(S(=O)(=O)Cc2ccc(F)cc2)n1C[C@@H]1CCCO1)C(=O)c1ccccc1	ZINC000036030818	554144334	/nfs/dbraw/zinc/14/43/34/554144334.db2.gz	FULZWLWLUKDORX-DEOSSOPVSA-N	0	0	515.607	3.464	50	0		KGAARN
COCCN(Cc1cnc(S(=O)(=O)Cc2ccc(F)cc2)n1C[C@H]1CCCO1)C(=O)c1ccccc1	ZINC000036030819	554144287	/nfs/dbraw/zinc/14/42/87/554144287.db2.gz	FULZWLWLUKDORX-XMMPIXPASA-N	0	0	515.607	3.464	50	0		KGAARN
COCCN(Cc1cnc(S(=O)(=O)Cc2ccc(F)cc2)n1C[C@@H]1CCCO1)C(=O)C1CCCC1	ZINC000036030822	554144363	/nfs/dbraw/zinc/14/43/63/554144363.db2.gz	VXPQXKZTGQVZQU-QHCPKHFHSA-N	0	0	507.628	3.340	50	0		KGAARN
COCCN(Cc1cnc(S(=O)(=O)Cc2ccc(F)cc2)n1C[C@H]1CCCO1)C(=O)C1CCCC1	ZINC000036030823	554144324	/nfs/dbraw/zinc/14/43/24/554144324.db2.gz	VXPQXKZTGQVZQU-HSZRJFAPSA-N	0	0	507.628	3.340	50	0		KGAARN
CN(C)CCN(Cc1cnc(S(=O)(=O)Cc2ccc(F)cc2)n1C[C@@H]1CCCO1)C(=O)C1CCCC1	ZINC000036030856	554144604	/nfs/dbraw/zinc/14/46/04/554144604.db2.gz	HAHSDYRUWZXMDA-DEOSSOPVSA-N	0	0	520.671	3.256	50	0		KGAARN
CN(C)CCN(Cc1cnc(S(=O)(=O)Cc2ccc(F)cc2)n1C[C@H]1CCCO1)C(=O)C1CCCC1	ZINC000036030857	554144646	/nfs/dbraw/zinc/14/46/46/554144646.db2.gz	HAHSDYRUWZXMDA-XMMPIXPASA-N	0	0	520.671	3.256	50	0		KGAARN
O=C(C1CC1)N(Cc1cnc(S(=O)(=O)Cc2ccc(F)cc2)n1C[C@@H]1CCCO1)C[C@@H]1CCCO1	ZINC000036030867	554144565	/nfs/dbraw/zinc/14/45/65/554144565.db2.gz	ABASAGHGFZSOOQ-GOTSBHOMSA-N	0	0	505.612	3.093	50	0		KGAARN
O=C(C1CC1)N(Cc1cnc(S(=O)(=O)Cc2ccc(F)cc2)n1C[C@H]1CCCO1)C[C@@H]1CCCO1	ZINC000036030870	554144625	/nfs/dbraw/zinc/14/46/25/554144625.db2.gz	ABASAGHGFZSOOQ-XZOQPEGZSA-N	0	0	505.612	3.093	50	0		KGAARN
O=C(C1CC1)N(Cc1cnc(S(=O)(=O)Cc2ccc(F)cc2)n1C[C@@H]1CCCO1)C[C@H]1CCCO1	ZINC000036030872	554144644	/nfs/dbraw/zinc/14/46/44/554144644.db2.gz	ABASAGHGFZSOOQ-PKTZIBPZSA-N	0	0	505.612	3.093	50	0		KGAARN
O=C(C1CC1)N(Cc1cnc(S(=O)(=O)Cc2ccc(F)cc2)n1C[C@H]1CCCO1)C[C@H]1CCCO1	ZINC000036030875	554144573	/nfs/dbraw/zinc/14/45/73/554144573.db2.gz	ABASAGHGFZSOOQ-DHIUTWEWSA-N	0	0	505.612	3.093	50	0		KGAARN
CCN(Cc1cnc(S(=O)(=O)Cc2ccccc2)n1C[C@@H]1CCCO1)C(=O)c1ccc2c(c1)OCO2	ZINC000036031029	554144633	/nfs/dbraw/zinc/14/46/33/554144633.db2.gz	LWZQQJNCWGMKGY-QFIPXVFZSA-N	0	0	511.600	3.427	50	0		KGAARN
CCN(Cc1cnc(S(=O)(=O)Cc2ccccc2)n1C[C@H]1CCCO1)C(=O)c1ccc2c(c1)OCO2	ZINC000036031031	554144576	/nfs/dbraw/zinc/14/45/76/554144576.db2.gz	LWZQQJNCWGMKGY-JOCHJYFZSA-N	0	0	511.600	3.427	50	0		KGAARN
CC(C)Cn1c(CN(CCN2CCOCC2)C(=O)NC(C)(C)C)cnc1S(=O)(=O)Cc1ccccc1	ZINC000036031342	554144996	/nfs/dbraw/zinc/14/49/96/554144996.db2.gz	ARQHLCGHLHMLHO-UHFFFAOYSA-N	0	0	519.712	3.155	50	0		KGAARN
COCCN(Cc1cnc(S(=O)(=O)Cc2ccccc2)n1CCOC)C(=O)Nc1ccc(C)cc1	ZINC000036031484	554144967	/nfs/dbraw/zinc/14/49/67/554144967.db2.gz	YABLWLIHHKVQEY-UHFFFAOYSA-N	0	0	500.621	3.492	50	0		KGAARN
CCNC(=O)N(Cc1ccco1)Cc1cnc(S(=O)(=O)Cc2ccccc2F)n1C[C@@H]1CCCO1	ZINC000036031706	554145134	/nfs/dbraw/zinc/14/51/34/554145134.db2.gz	MZGCXOMMGKTCJQ-NRFANRHFSA-N	0	0	504.584	3.500	50	0		KGAARN
CCNC(=O)N(Cc1ccco1)Cc1cnc(S(=O)(=O)Cc2ccccc2F)n1C[C@H]1CCCO1	ZINC000036031708	554145137	/nfs/dbraw/zinc/14/51/37/554145137.db2.gz	MZGCXOMMGKTCJQ-OAQYLSRUSA-N	0	0	504.584	3.500	50	0		KGAARN
CC(C)NC(=O)N(Cc1cnc(S(=O)(=O)Cc2ccccc2F)n1C[C@@H]1CCCO1)C[C@@H]1CCCO1	ZINC000036031743	554145083	/nfs/dbraw/zinc/14/50/83/554145083.db2.gz	CSMZNGREYMZMMO-VXKWHMMOSA-N	0	0	522.643	3.274	50	0		KGAARN
CC(C)NC(=O)N(Cc1cnc(S(=O)(=O)Cc2ccccc2F)n1C[C@H]1CCCO1)C[C@@H]1CCCO1	ZINC000036031745	554145071	/nfs/dbraw/zinc/14/50/71/554145071.db2.gz	CSMZNGREYMZMMO-FCHUYYIVSA-N	0	0	522.643	3.274	50	0		KGAARN
CC(C)NC(=O)N(Cc1cnc(S(=O)(=O)Cc2ccccc2F)n1C[C@@H]1CCCO1)C[C@H]1CCCO1	ZINC000036031748	554145095	/nfs/dbraw/zinc/14/50/95/554145095.db2.gz	CSMZNGREYMZMMO-YADHBBJMSA-N	0	0	522.643	3.274	50	0		KGAARN
CC(C)NC(=O)N(Cc1cnc(S(=O)(=O)Cc2ccccc2F)n1C[C@H]1CCCO1)C[C@H]1CCCO1	ZINC000036031750	554145171	/nfs/dbraw/zinc/14/51/71/554145171.db2.gz	CSMZNGREYMZMMO-FGZHOGPDSA-N	0	0	522.643	3.274	50	0		KGAARN
CCNC(=O)N(Cc1ccco1)Cc1cnc(S(=O)(=O)Cc2ccc(F)cc2)n1C[C@@H]1CCCO1	ZINC000036031776	554145089	/nfs/dbraw/zinc/14/50/89/554145089.db2.gz	IVJPYHPPUKUNJW-QFIPXVFZSA-N	0	0	504.584	3.500	50	0		KGAARN
CCNC(=O)N(Cc1ccco1)Cc1cnc(S(=O)(=O)Cc2ccc(F)cc2)n1C[C@H]1CCCO1	ZINC000036031778	554145152	/nfs/dbraw/zinc/14/51/52/554145152.db2.gz	IVJPYHPPUKUNJW-JOCHJYFZSA-N	0	0	504.584	3.500	50	0		KGAARN
CC(C)NC(=O)N(Cc1cnc(S(=O)(=O)Cc2ccc(F)cc2)n1C[C@@H]1CCCO1)C[C@@H]1CCCO1	ZINC000036031803	554145143	/nfs/dbraw/zinc/14/51/43/554145143.db2.gz	NXIAPBBHDXGLEY-GOTSBHOMSA-N	0	0	522.643	3.274	50	0		KGAARN
CC(C)NC(=O)N(Cc1cnc(S(=O)(=O)Cc2ccc(F)cc2)n1C[C@H]1CCCO1)C[C@@H]1CCCO1	ZINC000036031805	554145123	/nfs/dbraw/zinc/14/51/23/554145123.db2.gz	NXIAPBBHDXGLEY-XZOQPEGZSA-N	0	0	522.643	3.274	50	0		KGAARN
CC(C)NC(=O)N(Cc1cnc(S(=O)(=O)Cc2ccc(F)cc2)n1C[C@@H]1CCCO1)C[C@H]1CCCO1	ZINC000036031808	554145421	/nfs/dbraw/zinc/14/54/21/554145421.db2.gz	NXIAPBBHDXGLEY-PKTZIBPZSA-N	0	0	522.643	3.274	50	0		KGAARN
CC(C)NC(=O)N(Cc1cnc(S(=O)(=O)Cc2ccc(F)cc2)n1C[C@H]1CCCO1)C[C@H]1CCCO1	ZINC000036031810	554145574	/nfs/dbraw/zinc/14/55/74/554145574.db2.gz	NXIAPBBHDXGLEY-DHIUTWEWSA-N	0	0	522.643	3.274	50	0		KGAARN
CCNC(=S)N(Cc1cnc(S(=O)(=O)Cc2cccc(OC)c2)n1CC(C)C)C[C@@H]1CCCO1	ZINC000036032080	554145557	/nfs/dbraw/zinc/14/55/57/554145557.db2.gz	IXWBLUIFSKATMG-QFIPXVFZSA-N	0	0	508.710	3.397	50	0		KGAARN
CCNC(=S)N(Cc1cnc(S(=O)(=O)Cc2cccc(OC)c2)n1CC(C)C)C[C@H]1CCCO1	ZINC000036032082	554145489	/nfs/dbraw/zinc/14/54/89/554145489.db2.gz	IXWBLUIFSKATMG-JOCHJYFZSA-N	0	0	508.710	3.397	50	0		KGAARN
COCCN(Cc1cnc(S(=O)(=O)Cc2ccccc2)n1CCOC)C(=S)Nc1ccc(F)cc1	ZINC000036032100	554145511	/nfs/dbraw/zinc/14/55/11/554145511.db2.gz	ZZQRFIIMBRLMKW-UHFFFAOYSA-N	0	0	520.652	3.488	50	0		KGAARN
CCNC(=S)N(Cc1ccco1)Cc1cnc(S(=O)(=O)Cc2cccc(OC)c2)n1CCOC	ZINC000036032150	554145737	/nfs/dbraw/zinc/14/57/37/554145737.db2.gz	AFVYOLUKQGHRTR-UHFFFAOYSA-N	0	0	506.650	3.002	50	0		KGAARN
COCCn1c(CN(Cc2ccco2)C(=S)NC(C)C)cnc1S(=O)(=O)Cc1cccc(OC)c1	ZINC000036032152	554145657	/nfs/dbraw/zinc/14/56/57/554145657.db2.gz	WQSQJCIZKKAHNE-UHFFFAOYSA-N	0	0	520.677	3.390	50	0		KGAARN
CCNC(=S)N(Cc1cnc(S(=O)(=O)Cc2ccccc2F)n1C[C@@H]1CCCO1)C[C@@H]1CCCO1	ZINC000036032285	554145632	/nfs/dbraw/zinc/14/56/32/554145632.db2.gz	OCTIZHNXGFTWEX-SFTDATJTSA-N	0	0	524.684	3.051	50	0		KGAARN
CCNC(=S)N(Cc1cnc(S(=O)(=O)Cc2ccccc2F)n1C[C@H]1CCCO1)C[C@@H]1CCCO1	ZINC000036032287	554145616	/nfs/dbraw/zinc/14/56/16/554145616.db2.gz	OCTIZHNXGFTWEX-LEWJYISDSA-N	0	0	524.684	3.051	50	0		KGAARN
CCNC(=S)N(Cc1cnc(S(=O)(=O)Cc2ccccc2F)n1C[C@@H]1CCCO1)C[C@H]1CCCO1	ZINC000036032289	554145715	/nfs/dbraw/zinc/14/57/15/554145715.db2.gz	OCTIZHNXGFTWEX-RTWAWAEBSA-N	0	0	524.684	3.051	50	0		KGAARN
CCNC(=S)N(Cc1cnc(S(=O)(=O)Cc2ccccc2F)n1C[C@H]1CCCO1)C[C@H]1CCCO1	ZINC000036032292	554145643	/nfs/dbraw/zinc/14/56/43/554145643.db2.gz	OCTIZHNXGFTWEX-NHCUHLMSSA-N	0	0	524.684	3.051	50	0		KGAARN
CCNC(=S)N(Cc1cnc(S(=O)(=O)Cc2ccc(F)cc2)n1C[C@@H]1CCCO1)C[C@@H]1CCCO1	ZINC000036032332	554146081	/nfs/dbraw/zinc/14/60/81/554146081.db2.gz	IQWBAFMQULWWSE-VXKWHMMOSA-N	0	0	524.684	3.051	50	0		KGAARN
CCNC(=S)N(Cc1cnc(S(=O)(=O)Cc2ccc(F)cc2)n1C[C@H]1CCCO1)C[C@@H]1CCCO1	ZINC000036032334	554146025	/nfs/dbraw/zinc/14/60/25/554146025.db2.gz	IQWBAFMQULWWSE-FCHUYYIVSA-N	0	0	524.684	3.051	50	0		KGAARN
CCNC(=S)N(Cc1cnc(S(=O)(=O)Cc2ccc(F)cc2)n1C[C@@H]1CCCO1)C[C@H]1CCCO1	ZINC000036032336	554146058	/nfs/dbraw/zinc/14/60/58/554146058.db2.gz	IQWBAFMQULWWSE-YADHBBJMSA-N	0	0	524.684	3.051	50	0		KGAARN
CCNC(=S)N(Cc1cnc(S(=O)(=O)Cc2ccc(F)cc2)n1C[C@H]1CCCO1)C[C@H]1CCCO1	ZINC000036032338	554146003	/nfs/dbraw/zinc/14/60/03/554146003.db2.gz	IQWBAFMQULWWSE-FGZHOGPDSA-N	0	0	524.684	3.051	50	0		KGAARN
COCCn1c(CN(CC(C)C)S(=O)(=O)c2ccccc2)cnc1S(=O)(=O)Cc1ccccc1	ZINC000036032415	554145986	/nfs/dbraw/zinc/14/59/86/554145986.db2.gz	OEYNIDSKWIAGHT-UHFFFAOYSA-N	0	0	505.662	3.350	50	0		KGAARN
COCCn1c(CN(C2CC2)S(=O)(=O)c2ccc(C)cc2)cnc1S(=O)(=O)Cc1ccccc1	ZINC000036032430	554146007	/nfs/dbraw/zinc/14/60/07/554146007.db2.gz	UJPUTVVDLQGANU-UHFFFAOYSA-N	0	0	503.646	3.165	50	0		KGAARN
COCCn1c(CN(CC2CC2)S(=O)(=O)c2ccccc2)cnc1S(=O)(=O)Cc1ccccc1	ZINC000036032435	554145982	/nfs/dbraw/zinc/14/59/82/554145982.db2.gz	ONBJMBJASQZIFO-UHFFFAOYSA-N	0	0	503.646	3.104	50	0		KGAARN
COCCn1c(CN(CC2CC2)S(=O)(=O)c2ccc(C)cc2)cnc1S(=O)(=O)Cc1ccccc1	ZINC000036032437	554145966	/nfs/dbraw/zinc/14/59/66/554145966.db2.gz	YYBXMZBIOMTSLW-UHFFFAOYSA-N	0	0	517.673	3.413	50	0		KGAARN
O=C(CN1CCN(c2ncccn2)CC1)N1CCCc2c3cc(OCc4ccccc4)ccc3oc(=O)c21	ZINC000036037409	554146522	/nfs/dbraw/zinc/14/65/22/554146522.db2.gz	WCQZVNHCEARBPX-UHFFFAOYSA-N	0	0	511.582	3.263	50	0		KGAARN
O=C(NCCN1CCOCC1)c1ccc(CSc2nc(-c3ccccc3)cc(N3CCOCC3)n2)cc1	ZINC000036038590	554146745	/nfs/dbraw/zinc/14/67/45/554146745.db2.gz	OHOFCNVCYDYLRP-UHFFFAOYSA-N	0	0	519.671	3.335	50	0		KGAARN
CC(=O)N1CCN(c2cc(-c3ccccc3)nc(SCc3cccc(C(=O)N4CCN(C)CC4)c3)n2)CC1	ZINC000036038673	554146886	/nfs/dbraw/zinc/14/68/86/554146886.db2.gz	JDHJZEMUPGAZLJ-UHFFFAOYSA-N	0	0	530.698	3.492	50	0		KGAARN
CC(=O)N1CCN(c2cc(C(F)(F)F)nc(SCc3ccc(C(=O)NCc4ccccn4)o3)n2)CC1	ZINC000036038792	554147139	/nfs/dbraw/zinc/14/71/39/554147139.db2.gz	FSMTUAPWLXQDMN-UHFFFAOYSA-N	0	0	520.537	3.374	50	0		KGAARN
Cc1ccccc1CS(=O)(=O)c1ncc(CN(CCN2CCOCC2)C(=O)C(C)C)n1CC(C)C	ZINC000036039688	554147452	/nfs/dbraw/zinc/14/74/52/554147452.db2.gz	SPNDMJYRRYVBPS-UHFFFAOYSA-N	0	0	504.697	3.138	50	0		KGAARN
COCCn1c(CN(C(=O)c2cccc(OC)c2)C2CC2)cnc1S(=O)(=O)Cc1ccc(F)cc1	ZINC000036039883	554147841	/nfs/dbraw/zinc/14/78/41/554147841.db2.gz	XZWXKLDVMITQOA-UHFFFAOYSA-N	0	0	501.580	3.456	50	0		KGAARN
COCCn1c(CN(CCN(C)C)C(=O)CC(C)(C)C)cnc1S(=O)(=O)Cc1ccccc1Cl	ZINC000036039951	554147845	/nfs/dbraw/zinc/14/78/45/554147845.db2.gz	POLUZFKYCCYNBY-UHFFFAOYSA-N	0	0	513.104	3.483	50	0		KGAARN
COCCn1c(CN(CCN(C)C)C(=O)C2CCCC2)cnc1S(=O)(=O)Cc1ccccc1Cl	ZINC000036039952	554147796	/nfs/dbraw/zinc/14/77/96/554147796.db2.gz	ICGHMPPODBVVPX-UHFFFAOYSA-N	0	0	511.088	3.237	50	0		KGAARN
COCCn1c(CN(CCN(C)C)C(=O)Cc2ccccc2)cnc1S(=O)(=O)Cc1ccccc1Cl	ZINC000036039953	554147806	/nfs/dbraw/zinc/14/78/06/554147806.db2.gz	KJIKXNAKXBPDQL-UHFFFAOYSA-N	0	0	533.094	3.290	50	0		KGAARN
CC(C)C(=O)N(CCN1CCOCC1)Cc1cnc(S(=O)(=O)Cc2ccccc2)n1Cc1ccccc1	ZINC000036040117	554148414	/nfs/dbraw/zinc/14/84/14/554148414.db2.gz	HBQLFUBCIGTLTJ-UHFFFAOYSA-N	0	0	524.687	3.222	50	0		KGAARN
Cc1ccccc1CS(=O)(=O)c1ncc(CN(CCN2CCOCC2)C(=O)NC(C)C)n1CC(C)C	ZINC000036040492	554149296	/nfs/dbraw/zinc/14/92/96/554149296.db2.gz	LDQFSALTXMOMTN-UHFFFAOYSA-N	0	0	519.712	3.074	50	0		KGAARN
CCNC(=O)N(CCN(C)C)Cc1cnc(S(=O)(=O)Cc2ccccc2F)n1Cc1ccccc1	ZINC000036040541	554149547	/nfs/dbraw/zinc/14/95/47/554149547.db2.gz	DCVZTOZDMCZHAL-UHFFFAOYSA-N	0	0	501.628	3.138	50	0		KGAARN
Cc1ccccc1CS(=O)(=O)c1ncc(CN(CCN2CCOCC2)C(=S)NC(C)C)n1CC(C)C	ZINC000036040633	554149865	/nfs/dbraw/zinc/14/98/65/554149865.db2.gz	IQGRSJIQYIMZFY-UHFFFAOYSA-N	0	0	535.780	3.239	50	0		KGAARN
CCNC(=S)N(CCOC)Cc1cnc(S(=O)(=O)Cc2ccccc2F)n1Cc1ccccc1	ZINC000036040673	554149899	/nfs/dbraw/zinc/14/98/99/554149899.db2.gz	NAYUOEVSKGEYBS-UHFFFAOYSA-N	0	0	504.653	3.387	50	0		KGAARN
CCNC(=S)N(CCN(C)C)Cc1cnc(S(=O)(=O)Cc2ccccc2F)n1Cc1ccccc1	ZINC000036040681	554149857	/nfs/dbraw/zinc/14/98/57/554149857.db2.gz	MJXZFFZEPCNJKI-UHFFFAOYSA-N	0	0	517.696	3.302	50	0		KGAARN
CCNC(=S)N(CCOC)Cc1cnc(S(=O)(=O)Cc2ccc(F)cc2)n1Cc1ccccc1	ZINC000036040691	554149884	/nfs/dbraw/zinc/14/98/84/554149884.db2.gz	WRXCSMWNKDAKHP-UHFFFAOYSA-N	0	0	504.653	3.387	50	0		KGAARN
CCNC(=S)N(CCN(C)C)Cc1cnc(S(=O)(=O)Cc2ccc(F)cc2)n1Cc1ccccc1	ZINC000036040700	554150241	/nfs/dbraw/zinc/15/02/41/554150241.db2.gz	GQQGYQAZFJDXBL-UHFFFAOYSA-N	0	0	517.696	3.302	50	0		KGAARN
CN(C)CCN(Cc1cnc(S(=O)(=O)Cc2ccc(F)cc2)n1Cc1ccccc1)C(=S)NC1CC1	ZINC000036040701	554150202	/nfs/dbraw/zinc/15/02/02/554150202.db2.gz	HCJPKAGDHMTCHA-UHFFFAOYSA-N	0	0	529.707	3.445	50	0		KGAARN
CN(C)CCN(Cc1cnc(S(=O)(=O)Cc2ccccc2)n1Cc1ccccc1)C(=S)NC1CC1	ZINC000036040722	554150247	/nfs/dbraw/zinc/15/02/47/554150247.db2.gz	LDBJDCQGQCYAON-UHFFFAOYSA-N	0	0	511.717	3.306	50	0		KGAARN
CCNC(=S)N(CCN(C)C)Cc1cnc(S(=O)(=O)Cc2ccccc2C)n1Cc1ccccc1	ZINC000036040742	554150237	/nfs/dbraw/zinc/15/02/37/554150237.db2.gz	WUFHDYCVDVAOBI-UHFFFAOYSA-N	0	0	513.733	3.472	50	0		KGAARN
COCCn1c(CN(CC(C)C)S(=O)(=O)c2ccccc2)cnc1S(=O)(=O)Cc1ccc(F)cc1	ZINC000036040779	554150416	/nfs/dbraw/zinc/15/04/16/554150416.db2.gz	UMYMQJYUQHZKAN-UHFFFAOYSA-N	0	0	523.652	3.489	50	0		KGAARN
COCCn1c(CN(C2CC2)S(=O)(=O)c2ccc(C)cc2)cnc1S(=O)(=O)Cc1ccc(F)cc1	ZINC000036040780	554150463	/nfs/dbraw/zinc/15/04/63/554150463.db2.gz	JZVNHBNDCUGYAE-UHFFFAOYSA-N	0	0	521.636	3.304	50	0		KGAARN
COCCn1c(CN(CC2CC2)S(=O)(=O)c2ccccc2)cnc1S(=O)(=O)Cc1ccc(F)cc1	ZINC000036040781	554150487	/nfs/dbraw/zinc/15/04/87/554150487.db2.gz	PURJKPVGZIVJGE-UHFFFAOYSA-N	0	0	521.636	3.243	50	0		KGAARN
COCc1cc(N2CCN(c3ccccc3F)CC2)nc(SCc2ccc(C(=O)N3CCOCC3)o2)n1	ZINC000036040900	554150405	/nfs/dbraw/zinc/15/04/05/554150405.db2.gz	MBSYYTDQTGYIBK-UHFFFAOYSA-N	0	0	527.622	3.446	50	0		KGAARN
CC(C)C(=O)N(CCN1CCOCC1)Cc1cnc(S(=O)(=O)Cc2cccc(Cl)c2)n1C(C)C	ZINC000036042701	554151273	/nfs/dbraw/zinc/15/12/73/554151273.db2.gz	ZISQCYVBYDJIAS-UHFFFAOYSA-N	0	0	511.088	3.408	50	0		KGAARN
CC(C)C(=O)N(CCN1CCOCC1)Cc1cnc(S(=O)(=O)Cc2ccccc2Cl)n1C(C)C	ZINC000036042783	554151552	/nfs/dbraw/zinc/15/15/52/554151552.db2.gz	SLJPGJCUJGOACO-UHFFFAOYSA-N	0	0	511.088	3.408	50	0		KGAARN
CC(C)n1c(CN(CCN2CCOCC2)C(=O)C2CC2)cnc1S(=O)(=O)Cc1ccccc1Cl	ZINC000036042784	554151599	/nfs/dbraw/zinc/15/15/99/554151599.db2.gz	LIXTZYAKWQKOJF-UHFFFAOYSA-N	0	0	509.072	3.162	50	0		KGAARN
CC(C)NC(=O)N(CCN1CCOCC1)Cc1cnc(S(=O)(=O)Cc2cccc(Cl)c2)n1C(C)C	ZINC000036042854	554151839	/nfs/dbraw/zinc/15/18/39/554151839.db2.gz	BENFACPVYAIPSX-UHFFFAOYSA-N	0	0	526.103	3.344	50	0		KGAARN
CCNC(=S)N(CCN1CCOCC1)Cc1cnc(S(=O)(=O)Cc2cccc(Cl)c2)n1C(C)C	ZINC000036042895	554151742	/nfs/dbraw/zinc/15/17/42/554151742.db2.gz	SUKFQBIVIBASHD-UHFFFAOYSA-N	0	0	528.144	3.120	50	0		KGAARN
COc1ccccc1N1CCN(C(=O)[C@@H]2CN(C(=O)C3CC3)C[C@@H]2c2cc(OC)c(OC)c(OC)c2)CC1	ZINC000036044541	554152409	/nfs/dbraw/zinc/15/24/09/554152409.db2.gz	KZKVXMSSNILOIL-FGZHOGPDSA-N	0	0	523.630	3.022	50	0		KGAARN
COc1ccccc1N1CCN(C(=O)[C@H]2CN(C(=O)C3CC3)C[C@@H]2c2cc(OC)c(OC)c(OC)c2)CC1	ZINC000036044542	554152484	/nfs/dbraw/zinc/15/24/84/554152484.db2.gz	KZKVXMSSNILOIL-YADHBBJMSA-N	0	0	523.630	3.022	50	0		KGAARN
COc1ccccc1N1CCN(C(=O)[C@@H]2CN(C(=O)C3CC3)C[C@H]2c2cc(OC)c(OC)c(OC)c2)CC1	ZINC000036044543	554152481	/nfs/dbraw/zinc/15/24/81/554152481.db2.gz	KZKVXMSSNILOIL-FCHUYYIVSA-N	0	0	523.630	3.022	50	0		KGAARN
COc1ccccc1N1CCN(C(=O)[C@H]2CN(C(=O)C3CC3)C[C@H]2c2cc(OC)c(OC)c(OC)c2)CC1	ZINC000036044544	554152488	/nfs/dbraw/zinc/15/24/88/554152488.db2.gz	KZKVXMSSNILOIL-VXKWHMMOSA-N	0	0	523.630	3.022	50	0		KGAARN
CC(C)NC(=O)N(CCN1CCOCC1)CC(=O)Nc1nc(-c2ccccc2)cn1-c1ccc(F)cc1	ZINC000036045078	554153255	/nfs/dbraw/zinc/15/32/55/554153255.db2.gz	VVYOTVSVOIQDQO-UHFFFAOYSA-N	0	0	508.598	3.369	50	0		KGAARN
COCCN(CC(=O)Nc1nc(-c2ccc(Cl)cc2)cn1-c1ccc(OC)c(OC)c1)C(=O)COC	ZINC000036051963	554157470	/nfs/dbraw/zinc/15/74/70/554157470.db2.gz	ZFUVBFDQIBTSKW-UHFFFAOYSA-N	0	0	516.982	3.270	50	0		KGAARN
COc1ccccc1[C@@H]1CN(C(=O)c2ccc3c(c2)OCO3)C[C@@H]1C(=O)NCc1ccc2c(c1)OCO2	ZINC000036055109	554159078	/nfs/dbraw/zinc/15/90/78/554159078.db2.gz	GMOYBUVKVBGDCL-SFTDATJTSA-N	0	0	502.523	3.325	50	0		KGAARN
COc1ccccc1[C@H]1CN(C(=O)c2ccc3c(c2)OCO3)C[C@@H]1C(=O)NCc1ccc2c(c1)OCO2	ZINC000036055110	554159047	/nfs/dbraw/zinc/15/90/47/554159047.db2.gz	GMOYBUVKVBGDCL-RTWAWAEBSA-N	0	0	502.523	3.325	50	0		KGAARN
COc1ccccc1[C@@H]1CN(C(=O)c2ccc3c(c2)OCO3)C[C@H]1C(=O)NCc1ccc2c(c1)OCO2	ZINC000036055111	554159075	/nfs/dbraw/zinc/15/90/75/554159075.db2.gz	GMOYBUVKVBGDCL-LEWJYISDSA-N	0	0	502.523	3.325	50	0		KGAARN
COc1ccccc1[C@H]1CN(C(=O)c2ccc3c(c2)OCO3)C[C@H]1C(=O)NCc1ccc2c(c1)OCO2	ZINC000036055112	554158984	/nfs/dbraw/zinc/15/89/84/554158984.db2.gz	GMOYBUVKVBGDCL-NHCUHLMSSA-N	0	0	502.523	3.325	50	0		KGAARN
COc1cccc([C@@H]2CN(S(=O)(=O)c3ccc(Cl)cc3)C[C@@H]2C(=O)NCc2ccccn2)c1OC	ZINC000036055477	554159090	/nfs/dbraw/zinc/15/90/90/554159090.db2.gz	LJBZDHCZWPTDOX-VXKWHMMOSA-N	0	0	516.019	3.473	50	0		KGAARN
COc1cccc([C@H]2CN(S(=O)(=O)c3ccc(Cl)cc3)C[C@@H]2C(=O)NCc2ccccn2)c1OC	ZINC000036055478	554159338	/nfs/dbraw/zinc/15/93/38/554159338.db2.gz	LJBZDHCZWPTDOX-YADHBBJMSA-N	0	0	516.019	3.473	50	0		KGAARN
COc1ccc(S(=O)(=O)N2C[C@@H](C(=O)NCc3ccc4c(c3)OCO4)[C@@H](c3ccccc3OC)C2)cc1	ZINC000036055523	554159375	/nfs/dbraw/zinc/15/93/75/554159375.db2.gz	KDZQQOSBBLXEBF-DHIUTWEWSA-N	0	0	524.595	3.153	50	0		KGAARN
COc1ccc(S(=O)(=O)N2C[C@@H](c3ccccc3OC)[C@H](C(=O)NCc3ccc4c(c3)OCO4)C2)cc1	ZINC000036055524	554159351	/nfs/dbraw/zinc/15/93/51/554159351.db2.gz	KDZQQOSBBLXEBF-XZOQPEGZSA-N	0	0	524.595	3.153	50	0		KGAARN
COc1ccc(-c2cn(-c3ccc(OC)cc3)c(NC(=O)CN(CCN3CCOCC3)C(=O)C(C)C)n2)cc1	ZINC000036055559	554159397	/nfs/dbraw/zinc/15/93/97/554159397.db2.gz	AOAMPWCJCHTTNN-UHFFFAOYSA-N	0	0	535.645	3.312	50	0		KGAARN
CCC(=O)N(CCN1CCOCC1)CC(=O)Nc1nc(-c2ccc(OC)cc2)cn1-c1ccc(OC)cc1	ZINC000036055560	554159362	/nfs/dbraw/zinc/15/93/62/554159362.db2.gz	ZJJFAAFCWOBWFR-UHFFFAOYSA-N	0	0	521.618	3.066	50	0		KGAARN
COc1ccc(-c2cn(-c3ccc(OC)cc3)c(NC(=O)CN(CCN3CCOCC3)C(=O)C3CC3)n2)cc1	ZINC000036055561	554159381	/nfs/dbraw/zinc/15/93/81/554159381.db2.gz	BRZKAZPWBMAAMP-UHFFFAOYSA-N	0	0	533.629	3.066	50	0		KGAARN
COCCN(CC(=O)Nc1nc(-c2ccc(Cl)cc2)cn1-c1cc(OC)cc(OC)c1)C(=O)COC	ZINC000036058185	554160181	/nfs/dbraw/zinc/16/01/81/554160181.db2.gz	XNHWCBBRDLGFPM-UHFFFAOYSA-N	0	0	516.982	3.270	50	0		KGAARN
COCc1cc(N2CCOCC2)nc(SCc2ccc(C(=O)NCc3ccc4c(c3)OCO4)cc2)n1	ZINC000036058217	554160144	/nfs/dbraw/zinc/16/01/44/554160144.db2.gz	YTBDXBITBCZPAI-UHFFFAOYSA-N	0	0	508.600	3.411	50	0		KGAARN
CCOC(=O)C1CCN(C(=O)c2ccc(CSc3nc(COC)cc(N4CCOCC4)n3)cc2)CC1	ZINC000036058237	554160109	/nfs/dbraw/zinc/16/01/09/554160109.db2.gz	VRHOWLNYRAXQDX-UHFFFAOYSA-N	0	0	514.648	3.167	50	0		KGAARN
CCOC(=O)[C@@H]1CCCN(C(=O)c2ccc(CSc3nc(COC)cc(N4CCN(C)CC4)n3)cc2)C1	ZINC000036058255	554160155	/nfs/dbraw/zinc/16/01/55/554160155.db2.gz	GPVMNUQBHNEFLT-JOCHJYFZSA-N	0	0	527.691	3.082	50	0		KGAARN
CCOC(=O)[C@H]1CCCN(C(=O)c2ccc(CSc3nc(COC)cc(N4CCN(C)CC4)n3)cc2)C1	ZINC000036058256	554160071	/nfs/dbraw/zinc/16/00/71/554160071.db2.gz	GPVMNUQBHNEFLT-QFIPXVFZSA-N	0	0	527.691	3.082	50	0		KGAARN
COc1ccc(-n2cc(-c3ccc(Cl)cc3)nc2NC(=O)CN(CCN2CCOCC2)C(C)=O)cc1	ZINC000036060932	554160664	/nfs/dbraw/zinc/16/06/64/554160664.db2.gz	XQUPZNBPFURPMY-UHFFFAOYSA-N	0	0	512.010	3.321	50	0		KGAARN
CCOc1ccc(CN(Cc2nc(C(=O)NCCN3CCOCC3)co2)Cc2ccc3c(c2)OCO3)cc1	ZINC000036061514	554161486	/nfs/dbraw/zinc/16/14/86/554161486.db2.gz	KZUVKJLIJFTQMM-UHFFFAOYSA-N	0	0	522.602	3.066	50	0		KGAARN
CCOc1ccc(CN(Cc2nc(C(=O)N3CCN(C(C)=O)CC3)co2)Cc2ccc3c(c2)OCO3)cc1	ZINC000036061528	554161512	/nfs/dbraw/zinc/16/15/12/554161512.db2.gz	BNRWRNOKDUMRDZ-UHFFFAOYSA-N	0	0	520.586	3.309	50	0		KGAARN
CCOC(=O)[C@@H]1CCCN(C(=O)c2cccc(CSc3nc(COC)cc(N4CCN(C)CC4)n3)c2)C1	ZINC000036061656	554161710	/nfs/dbraw/zinc/16/17/10/554161710.db2.gz	MHXJDYKNJHBUMC-JOCHJYFZSA-N	0	0	527.691	3.082	50	0		KGAARN
CCOC(=O)[C@H]1CCCN(C(=O)c2cccc(CSc3nc(COC)cc(N4CCN(C)CC4)n3)c2)C1	ZINC000036061657	554161764	/nfs/dbraw/zinc/16/17/64/554161764.db2.gz	MHXJDYKNJHBUMC-QFIPXVFZSA-N	0	0	527.691	3.082	50	0		KGAARN
COCCN(CC(=O)N1CCN(c2ccc(-c3ccccc3Cl)nn2)CC1)C(=O)c1ccc(OC)cc1	ZINC000036061665	554161712	/nfs/dbraw/zinc/16/17/12/554161712.db2.gz	WJEPZPTVJCOIFC-UHFFFAOYSA-N	0	0	524.021	3.243	50	0		KGAARN
COCCN(CC(=O)N1CCN(c2ccc(-c3ccccc3Cl)nn2)CC1)C(=O)Cc1ccccc1	ZINC000036061672	554161709	/nfs/dbraw/zinc/16/17/09/554161709.db2.gz	CDDDZLDDBYZOII-UHFFFAOYSA-N	0	0	508.022	3.163	50	0		KGAARN
COCCN(CC(=O)N1CCN(c2ccc(-c3ccccc3Cl)nn2)CC1)C(=O)c1cccc(OC)c1	ZINC000036061674	554161752	/nfs/dbraw/zinc/16/17/52/554161752.db2.gz	SAJARDXNYXVRRR-UHFFFAOYSA-N	0	0	524.021	3.243	50	0		KGAARN
COc1ccc(C(=O)N(CC(=O)N2CCN(c3ccc(-c4ccccc4)nn3)CC2)C[C@@H]2CCCO2)cc1	ZINC000036061786	554162001	/nfs/dbraw/zinc/16/20/01/554162001.db2.gz	HSBYRFZCVDRJMA-VWLOTQADSA-N	0	0	515.614	3.122	50	0		KGAARN
COc1ccc(C(=O)N(CC(=O)N2CCN(c3ccc(-c4ccccc4)nn3)CC2)C[C@H]2CCCO2)cc1	ZINC000036061787	554161963	/nfs/dbraw/zinc/16/19/63/554161963.db2.gz	HSBYRFZCVDRJMA-RUZDIDTESA-N	0	0	515.614	3.122	50	0		KGAARN
COc1cccc(C(=O)N(CC(=O)N2CCN(c3ccc(-c4ccccc4)nn3)CC2)C[C@@H]2CCCO2)c1	ZINC000036061806	554162055	/nfs/dbraw/zinc/16/20/55/554162055.db2.gz	FTRZQCUIZWKKIL-VWLOTQADSA-N	0	0	515.614	3.122	50	0		KGAARN
COc1cccc(C(=O)N(CC(=O)N2CCN(c3ccc(-c4ccccc4)nn3)CC2)C[C@H]2CCCO2)c1	ZINC000036061807	554162019	/nfs/dbraw/zinc/16/20/19/554162019.db2.gz	FTRZQCUIZWKKIL-RUZDIDTESA-N	0	0	515.614	3.122	50	0		KGAARN
O=C(CN(C[C@@H]1CCCO1)C(=O)c1ccco1)N1CCN(c2ccc(-c3ccccc3Cl)nn2)CC1	ZINC000036062584	554162235	/nfs/dbraw/zinc/16/22/35/554162235.db2.gz	SRWNIELIYBFTIX-IBGZPJMESA-N	0	0	509.994	3.360	50	0		KGAARN
O=C(CN(C[C@H]1CCCO1)C(=O)c1ccco1)N1CCN(c2ccc(-c3ccccc3Cl)nn2)CC1	ZINC000036062586	554162236	/nfs/dbraw/zinc/16/22/36/554162236.db2.gz	SRWNIELIYBFTIX-LJQANCHMSA-N	0	0	509.994	3.360	50	0		KGAARN
CC(C)CC(=O)N(CC(=O)N1CCN(c2ccc(-c3ccccc3Cl)nn2)CC1)C[C@@H]1CCCO1	ZINC000036062612	554162267	/nfs/dbraw/zinc/16/22/67/554162267.db2.gz	FOFTXCFCMJHAPV-FQEVSTJZSA-N	0	0	500.043	3.499	50	0		KGAARN
CC(C)CC(=O)N(CC(=O)N1CCN(c2ccc(-c3ccccc3Cl)nn2)CC1)C[C@H]1CCCO1	ZINC000036062615	554162259	/nfs/dbraw/zinc/16/22/59/554162259.db2.gz	FOFTXCFCMJHAPV-HXUWFJFHSA-N	0	0	500.043	3.499	50	0		KGAARN
CC(C)NC(=O)N(CC(=O)N1CCN(c2ccc(-c3ccccc3Cl)nn2)CC1)C[C@@H]1CCCO1	ZINC000036062882	554162283	/nfs/dbraw/zinc/16/22/83/554162283.db2.gz	AYDVQUDXQJEQFJ-IBGZPJMESA-N	0	0	501.031	3.045	50	0		KGAARN
CC(C)NC(=O)N(CC(=O)N1CCN(c2ccc(-c3ccccc3Cl)nn2)CC1)C[C@H]1CCCO1	ZINC000036062884	554162243	/nfs/dbraw/zinc/16/22/43/554162243.db2.gz	AYDVQUDXQJEQFJ-LJQANCHMSA-N	0	0	501.031	3.045	50	0		KGAARN
CCCNC(=O)N(CC(=O)N1CCN(c2ccc(-c3ccccc3Cl)nn2)CC1)C[C@@H]1CCCO1	ZINC000036062886	554162234	/nfs/dbraw/zinc/16/22/34/554162234.db2.gz	MBYKWWBNBIGJDZ-IBGZPJMESA-N	0	0	501.031	3.046	50	0		KGAARN
CCCNC(=O)N(CC(=O)N1CCN(c2ccc(-c3ccccc3Cl)nn2)CC1)C[C@H]1CCCO1	ZINC000036062888	554162245	/nfs/dbraw/zinc/16/22/45/554162245.db2.gz	MBYKWWBNBIGJDZ-LJQANCHMSA-N	0	0	501.031	3.046	50	0		KGAARN
COc1ccc(-c2ccc(N3CCN(C(=O)CN(Cc4ccco4)C(=O)c4ccco4)CC3)nn2)cc1	ZINC000036064200	554163315	/nfs/dbraw/zinc/16/33/15/554163315.db2.gz	XNKVZALFEJAWPU-UHFFFAOYSA-N	0	0	501.543	3.329	50	0		KGAARN
COc1ccc(-c2ccc(N3CCN(C(=O)CN(Cc4ccc(F)cc4)C(=O)C4CC4)CC3)nn2)cc1	ZINC000036064218	554163482	/nfs/dbraw/zinc/16/34/82/554163482.db2.gz	BGYVTTCNTKHAGJ-UHFFFAOYSA-N	0	0	503.578	3.379	50	0		KGAARN
COc1ccc(-c2ccc(N3CCN(C(=O)CN(Cc4ccco4)C(=O)NC(C)(C)C)CC3)nn2)cc1	ZINC000036064219	554163468	/nfs/dbraw/zinc/16/34/68/554163468.db2.gz	MWPHZEGTNOEMIK-UHFFFAOYSA-N	0	0	506.607	3.404	50	0		KGAARN
CCCN(CC(=O)N1CCN(c2ccc(-c3ccc(OC)cc3)nn2)CC1)C(=O)c1ccc(OC)cc1	ZINC000036064305	554163511	/nfs/dbraw/zinc/16/35/11/554163511.db2.gz	VMYXXQHEMAWNMY-UHFFFAOYSA-N	0	0	503.603	3.362	50	0		KGAARN
CC(=O)N1CCN(c2cc(C(C)(C)C)nc(SCc3cccc(C(=O)N4CCN(C)CC4)c3)n2)CC1	ZINC000036065188	554163844	/nfs/dbraw/zinc/16/38/44/554163844.db2.gz	ZWSRXOPRNZMDQG-UHFFFAOYSA-N	0	0	510.708	3.123	50	0		KGAARN
COc1ccc(-c2ccc(N3CCN(C(=O)CN(CC(C)C)C(=O)c4ccc5c(c4)OCO5)CC3)nn2)cc1	ZINC000036065228	554163792	/nfs/dbraw/zinc/16/37/92/554163792.db2.gz	OKVUMIDKAFQTPW-UHFFFAOYSA-N	0	0	531.613	3.328	50	0		KGAARN
COc1ccc(-c2ccc(N3CCN(C(=O)CN(C(=O)c4cccc(OC)c4)C(C)C)CC3)nn2)cc1	ZINC000036065249	554164017	/nfs/dbraw/zinc/16/40/17/554164017.db2.gz	OGBURKMEAMWXNM-UHFFFAOYSA-N	0	0	503.603	3.360	50	0		KGAARN
COc1ccc(-c2ccc(N3CCN(C(=O)CN(C(=O)c4cccc(OC)c4)C4CC4)CC3)nn2)cc1	ZINC000036065257	554164034	/nfs/dbraw/zinc/16/40/34/554164034.db2.gz	ZRPMBJXIAQTWHA-UHFFFAOYSA-N	0	0	501.587	3.114	50	0		KGAARN
COc1ccc(-c2ccc(N3CCN(C(=O)CN(C[C@@H]4CCCO4)C(=O)c4ccccc4)CC3)nn2)cc1	ZINC000036065261	554164068	/nfs/dbraw/zinc/16/40/68/554164068.db2.gz	CCMMAHFICZUWQD-VWLOTQADSA-N	0	0	515.614	3.122	50	0		KGAARN
COc1ccc(-c2ccc(N3CCN(C(=O)CN(C[C@H]4CCCO4)C(=O)c4ccccc4)CC3)nn2)cc1	ZINC000036065262	554164023	/nfs/dbraw/zinc/16/40/23/554164023.db2.gz	CCMMAHFICZUWQD-RUZDIDTESA-N	0	0	515.614	3.122	50	0		KGAARN
COc1ccc(-c2ccc(N3CCN(C(=O)CN(C[C@@H]4CCCO4)C(=O)c4ccc(C)cc4)CC3)nn2)cc1	ZINC000036065263	554164051	/nfs/dbraw/zinc/16/40/51/554164051.db2.gz	MUNSZHSBCFXBST-SANMLTNESA-N	0	0	529.641	3.431	50	0		KGAARN
COc1ccc(-c2ccc(N3CCN(C(=O)CN(C[C@H]4CCCO4)C(=O)c4ccc(C)cc4)CC3)nn2)cc1	ZINC000036065264	554164059	/nfs/dbraw/zinc/16/40/59/554164059.db2.gz	MUNSZHSBCFXBST-AREMUKBSSA-N	0	0	529.641	3.431	50	0		KGAARN
CCCCN(CC(=O)N1CCN(c2ccc(-c3ccc(OC)cc3)nn2)CC1)C(=O)c1ccc2c(c1)OCO2	ZINC000036065277	554163998	/nfs/dbraw/zinc/16/39/98/554163998.db2.gz	YVPAISUPGXXINL-UHFFFAOYSA-N	0	0	531.613	3.472	50	0		KGAARN
O=C(NCCN1CCOCC1)c1coc(CN(Cc2ccc3c(c2)OCO3)Cc2ccccc2Cl)n1	ZINC000036065748	554164841	/nfs/dbraw/zinc/16/48/41/554164841.db2.gz	UKFNDNYGSHSKQD-UHFFFAOYSA-N	0	0	512.994	3.321	50	0		KGAARN
COc1cccc(CN(Cc2nc(C(=O)N3CCN(C)CC3)co2)Cc2ccc3c(c2)OCO3)c1OC	ZINC000036065821	554165020	/nfs/dbraw/zinc/16/50/20/554165020.db2.gz	BECGLHMUEZGWNW-UHFFFAOYSA-N	0	0	508.575	3.011	50	0		KGAARN
Cc1ccc(C)c(CN(Cc2nc(C(=O)NCCN3CCOCC3)co2)Cc2ccc3c(c2)OCO3)c1	ZINC000036065881	554164969	/nfs/dbraw/zinc/16/49/69/554164969.db2.gz	BYNCOQXBWSGSLW-UHFFFAOYSA-N	0	0	506.603	3.285	50	0		KGAARN
CCOCCCN1C(=O)[C@H]2[C@@H](C(=O)Nc3cccc(Cl)c3)[C@H]3C=C[C@@]2(O3)[C@H]1C(=O)NC1CCCCC1	ZINC000036066301	554165331	/nfs/dbraw/zinc/16/53/31/554165331.db2.gz	NXBHZSCKPFUDDX-UETMDFGDSA-N	0	0	516.038	3.305	50	0	biogenic	KGAARN
CCOCCCN1C(=O)[C@H]2[C@@H](C(=O)Nc3cccc(Cl)c3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)NC1CCCCC1	ZINC000036066302	554165359	/nfs/dbraw/zinc/16/53/59/554165359.db2.gz	NXBHZSCKPFUDDX-ZKWJSJOJSA-N	0	0	516.038	3.305	50	0	biogenic	KGAARN
CCOCCCN1C(=O)[C@H]2[C@@H](C(=O)Nc3ccc(Cl)cc3)[C@H]3C=C[C@@]2(O3)[C@H]1C(=O)NC1CCCCC1	ZINC000036066313	554165311	/nfs/dbraw/zinc/16/53/11/554165311.db2.gz	KRBNTEIPZDRUHO-UETMDFGDSA-N	0	0	516.038	3.305	50	0	biogenic	KGAARN
CCOCCCN1C(=O)[C@H]2[C@@H](C(=O)Nc3ccc(Cl)cc3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)NC1CCCCC1	ZINC000036066314	554165356	/nfs/dbraw/zinc/16/53/56/554165356.db2.gz	KRBNTEIPZDRUHO-ZKWJSJOJSA-N	0	0	516.038	3.305	50	0	biogenic	KGAARN
CCOCCCN1C(=O)[C@H]2[C@@H](C(=O)Nc3ccc(OCC)cc3)[C@H]3C=C[C@@]2(O3)[C@H]1C(=O)NC1CCCCC1	ZINC000036066329	554165545	/nfs/dbraw/zinc/16/55/45/554165545.db2.gz	GMTAZIDCGCRSHZ-ZKNIRDGJSA-N	0	0	525.646	3.050	50	0	biogenic	KGAARN
CCOCCCN1C(=O)[C@H]2[C@@H](C(=O)Nc3ccc(OCC)cc3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)NC1CCCCC1	ZINC000036066330	554165491	/nfs/dbraw/zinc/16/54/91/554165491.db2.gz	GMTAZIDCGCRSHZ-JBBRWPJWSA-N	0	0	525.646	3.050	50	0	biogenic	KGAARN
CC(C)N1C(=O)[C@H]2[C@@H](C(=O)Nc3ccc(Br)cc3)[C@H]3C=C[C@@]2(O3)[C@H]1C(=O)NC1CCCCC1	ZINC000036066331	554165536	/nfs/dbraw/zinc/16/55/36/554165536.db2.gz	FITJFXQMIFIQFJ-JFHULYJISA-N	0	0	516.436	3.396	50	0	biogenic	KGAARN
CC(C)N1C(=O)[C@H]2[C@@H](C(=O)Nc3ccc(Br)cc3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)NC1CCCCC1	ZINC000036066332	554165471	/nfs/dbraw/zinc/16/54/71/554165471.db2.gz	FITJFXQMIFIQFJ-GBHCNSOCSA-N	0	0	516.436	3.396	50	0	biogenic	KGAARN
CCOCCCN1C(=O)[C@H]2[C@@H](C(=O)Nc3ccc(C)c(C)c3)[C@H]3C=C[C@@]2(O3)[C@H]1C(=O)NC1CCCCC1	ZINC000036066353	554165538	/nfs/dbraw/zinc/16/55/38/554165538.db2.gz	ZZSNZBVVUNKZBF-ZKNIRDGJSA-N	0	0	509.647	3.268	50	0	biogenic	KGAARN
CCOCCCN1C(=O)[C@H]2[C@@H](C(=O)Nc3ccc(C)c(C)c3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)NC1CCCCC1	ZINC000036066354	554165564	/nfs/dbraw/zinc/16/55/64/554165564.db2.gz	ZZSNZBVVUNKZBF-JBBRWPJWSA-N	0	0	509.647	3.268	50	0	biogenic	KGAARN
CC(=O)N1CCN(C(=O)c2coc(CN(Cc3ccc4c(c3)OCO4)Cc3ccc(F)cc3F)n2)CC1	ZINC000036068092	554165488	/nfs/dbraw/zinc/16/54/88/554165488.db2.gz	GARVFBZGJOTWAW-UHFFFAOYSA-N	0	0	512.513	3.188	50	0		KGAARN
Cc1ccc(CN(Cc2nc(C(=O)NCCN3CCOCC3)co2)Cc2ccc3c(c2)OCO3)c(C)c1	ZINC000036068370	554165474	/nfs/dbraw/zinc/16/54/74/554165474.db2.gz	KKSWDOGMBUSTFT-UHFFFAOYSA-N	0	0	506.603	3.285	50	0		KGAARN
O=C(CN(Cc1ccc2c(c1)OCO2)C(=O)c1ccco1)N1CCN(c2ccc(-c3ccccc3)nn2)CC1	ZINC000036069250	554166112	/nfs/dbraw/zinc/16/61/12/554166112.db2.gz	OWLRPBZSTZZQAT-UHFFFAOYSA-N	0	0	525.565	3.457	50	0		KGAARN
CC(C)C(=O)N(CC(=O)N1CCN(c2ccc(-c3ccccc3)nn2)CC1)Cc1ccc2c(c1)OCO2	ZINC000036069252	554166079	/nfs/dbraw/zinc/16/60/79/554166079.db2.gz	YZCWNVYFLCSTPS-UHFFFAOYSA-N	0	0	501.587	3.206	50	0		KGAARN
O=C(CN(Cc1ccc2c(c1)OCO2)C(=O)C1CCC1)N1CCN(c2ccc(-c3ccccc3)nn2)CC1	ZINC000036069255	554166062	/nfs/dbraw/zinc/16/60/62/554166062.db2.gz	LWPWFULZRAWMBE-UHFFFAOYSA-N	0	0	513.598	3.350	50	0		KGAARN
Cc1ccc(-c2ccc(N3CCN(C(=O)CN(C(=O)c4ccc5c(c4)OCO5)C(C)C)CC3)nn2)cc1	ZINC000036069503	554166358	/nfs/dbraw/zinc/16/63/58/554166358.db2.gz	DGPREAXVIXUSLJ-UHFFFAOYSA-N	0	0	501.587	3.380	50	0		KGAARN
CCC(=O)N(CC(=O)N1CCN(c2ccc(-c3ccc(C)cc3)nn2)CC1)Cc1ccc2c(c1)OCO2	ZINC000036069703	554166605	/nfs/dbraw/zinc/16/66/05/554166605.db2.gz	JIHKEAJEFMYWHA-UHFFFAOYSA-N	0	0	501.587	3.268	50	0		KGAARN
Cc1ccc(-c2ccc(N3CCN(C(=O)CN(Cc4ccc5c(c4)OCO5)C(=O)C4CC4)CC3)nn2)cc1	ZINC000036069705	554166630	/nfs/dbraw/zinc/16/66/30/554166630.db2.gz	WEJAGOSGFQZAHE-UHFFFAOYSA-N	0	0	513.598	3.268	50	0		KGAARN
Cc1ccc(-c2ccc(N3CCN(C(=O)CN(C[C@@H]4CCCO4)C(=O)c4cccs4)CC3)nn2)cc1	ZINC000036069801	554166592	/nfs/dbraw/zinc/16/65/92/554166592.db2.gz	OOQRXYJUMYOWBW-QFIPXVFZSA-N	0	0	505.644	3.484	50	0		KGAARN
Cc1ccc(-c2ccc(N3CCN(C(=O)CN(C[C@H]4CCCO4)C(=O)c4cccs4)CC3)nn2)cc1	ZINC000036069803	554166656	/nfs/dbraw/zinc/16/66/56/554166656.db2.gz	OOQRXYJUMYOWBW-JOCHJYFZSA-N	0	0	505.644	3.484	50	0		KGAARN
COc1ccc(C(=O)N(CC(=O)N2CCN(c3ccc(-c4ccc(C)cc4)nn3)CC2)C[C@@H]2CCCO2)cc1	ZINC000036069805	554166674	/nfs/dbraw/zinc/16/66/74/554166674.db2.gz	FUOYOJSXHCCCOV-SANMLTNESA-N	0	0	529.641	3.431	50	0		KGAARN
COc1ccc(C(=O)N(CC(=O)N2CCN(c3ccc(-c4ccc(C)cc4)nn3)CC2)C[C@H]2CCCO2)cc1	ZINC000036069808	554166612	/nfs/dbraw/zinc/16/66/12/554166612.db2.gz	FUOYOJSXHCCCOV-AREMUKBSSA-N	0	0	529.641	3.431	50	0		KGAARN
COc1cccc(C(=O)N(CC(=O)N2CCN(c3ccc(-c4ccc(C)cc4)nn3)CC2)C[C@@H]2CCCO2)c1	ZINC000036069850	554166601	/nfs/dbraw/zinc/16/66/01/554166601.db2.gz	CWWJGZUPDCPSBM-SANMLTNESA-N	0	0	529.641	3.431	50	0		KGAARN
COc1cccc(C(=O)N(CC(=O)N2CCN(c3ccc(-c4ccc(C)cc4)nn3)CC2)C[C@H]2CCCO2)c1	ZINC000036069853	554166636	/nfs/dbraw/zinc/16/66/36/554166636.db2.gz	CWWJGZUPDCPSBM-AREMUKBSSA-N	0	0	529.641	3.431	50	0		KGAARN
COCCN(CC(=O)N1CCCN(c2ccc(-c3ccc(C)cc3)nn2)CC1)C(=O)c1ccc(OC)cc1	ZINC000036069994	554166883	/nfs/dbraw/zinc/16/68/83/554166883.db2.gz	SLZXVONFDXCIMC-UHFFFAOYSA-N	0	0	517.630	3.288	50	0		KGAARN
COCCN(CC(=O)N1CCCN(c2ccc(-c3ccc(C)cc3)nn2)CC1)C(=O)c1ccccc1F	ZINC000036070004	554166939	/nfs/dbraw/zinc/16/69/39/554166939.db2.gz	IOXZEIFGKAHBDV-UHFFFAOYSA-N	0	0	505.594	3.419	50	0		KGAARN
COCCN(CC(=O)N1CCCN(c2ccc(-c3ccc(C)cc3)nn2)CC1)C(=O)c1cccc(F)c1	ZINC000036070007	554166885	/nfs/dbraw/zinc/16/68/85/554166885.db2.gz	SCOXKXBDJXIHSR-UHFFFAOYSA-N	0	0	505.594	3.419	50	0		KGAARN
COCCN(CC(=O)N1CCCN(c2ccc(-c3ccc(C)cc3)nn2)CC1)C(=O)c1cccc(OC)c1	ZINC000036070012	554166874	/nfs/dbraw/zinc/16/68/74/554166874.db2.gz	JBXFNNLBXYMWLZ-UHFFFAOYSA-N	0	0	517.630	3.288	50	0		KGAARN
COc1ccc(-c2ccc(N3CCN(C(=O)CN(CC4CC4)C(=O)c4ccccc4F)CC3)nn2)cc1	ZINC000036070234	554167088	/nfs/dbraw/zinc/16/70/88/554167088.db2.gz	RPCUXGDJTLWKMY-UHFFFAOYSA-N	0	0	503.578	3.492	50	0		KGAARN
COc1ccc(-c2ccc(N3CCN(C(=O)CN(Cc4ccco4)C(=O)C(C)C)CC3)nn2)c(OC)c1	ZINC000036070251	554167109	/nfs/dbraw/zinc/16/71/09/554167109.db2.gz	SLZCHVVPFHYDLL-UHFFFAOYSA-N	0	0	507.591	3.087	50	0		KGAARN
COc1ccc(-c2ccc(N3CCN(C(=O)CN(Cc4ccco4)C(=O)CC(C)C)CC3)nn2)c(OC)c1	ZINC000036070253	554167078	/nfs/dbraw/zinc/16/70/78/554167078.db2.gz	FUPIZNOGTACHJD-UHFFFAOYSA-N	0	0	521.618	3.477	50	0		KGAARN
COc1ccc(-c2ccc(N3CCN(C(=O)CN(Cc4ccccc4)C(=O)C(C)C)CC3)nn2)c(OC)c1	ZINC000036070259	554167081	/nfs/dbraw/zinc/16/70/81/554167081.db2.gz	XZHNKFFXVHLQDM-UHFFFAOYSA-N	0	0	517.630	3.494	50	0		KGAARN
COc1ccc(-c2ccc(N3CCN(C(=O)CN(Cc4ccccc4)C(=O)C4CC4)CC3)nn2)c(OC)c1	ZINC000036070266	554167075	/nfs/dbraw/zinc/16/70/75/554167075.db2.gz	PKPDHQLJADGPBD-UHFFFAOYSA-N	0	0	515.614	3.248	50	0		KGAARN
COc1ccc(-c2ccc(N3CCN(C(=O)CN(C(=O)c4cccs4)C(C)C)CC3)nn2)c(OC)c1	ZINC000036070271	554167131	/nfs/dbraw/zinc/16/71/31/554167131.db2.gz	GRJJEBSYZAAGKG-UHFFFAOYSA-N	0	0	509.632	3.422	50	0		KGAARN
COc1ccc(C(=O)N(CC(=O)N2CCN(c3ccc(-c4ccc(OC)cc4OC)nn3)CC2)C(C)C)cc1	ZINC000036070273	554167058	/nfs/dbraw/zinc/16/70/58/554167058.db2.gz	VNJAAUPRUSOGLA-UHFFFAOYSA-N	0	0	533.629	3.369	50	0		KGAARN
COc1ccc(-c2ccc(N3CCN(C(=O)CN(C(=O)c4cccs4)C4CC4)CC3)nn2)c(OC)c1	ZINC000036070294	554167115	/nfs/dbraw/zinc/16/71/15/554167115.db2.gz	XFIQOWGQXFMOQL-UHFFFAOYSA-N	0	0	507.616	3.176	50	0		KGAARN
CCCN(CC(=O)N1CCN(c2ccc(-c3ccc(OC)cc3OC)nn2)CC1)C(=O)c1ccc(OC)cc1	ZINC000036070316	554167111	/nfs/dbraw/zinc/16/71/11/554167111.db2.gz	OKHIQIFBIHRSKW-UHFFFAOYSA-N	0	0	533.629	3.370	50	0		KGAARN
COc1ccc(-c2ccc(N3CCN(C(=O)CN(Cc4ccco4)C(=O)NC(C)C)CC3)nn2)c(OC)c1	ZINC000036070419	554167401	/nfs/dbraw/zinc/16/74/01/554167401.db2.gz	YBPQKSOQODFSMU-UHFFFAOYSA-N	0	0	522.606	3.023	50	0		KGAARN
CCCNC(=O)N(CC(=O)N1CCN(c2ccc(-c3ccc(OC)cc3OC)nn2)CC1)Cc1ccco1	ZINC000036070421	554167388	/nfs/dbraw/zinc/16/73/88/554167388.db2.gz	QBNLCZRPMJCHRX-UHFFFAOYSA-N	0	0	522.606	3.024	50	0		KGAARN
CCCCN(CC(=O)N1CCN(c2ccc(-c3ccc(OC)cc3OC)nn2)CC1)C(=O)NC(C)(C)C	ZINC000036070429	554167406	/nfs/dbraw/zinc/16/74/06/554167406.db2.gz	MABIUFSHQOAEJE-UHFFFAOYSA-N	0	0	512.655	3.420	50	0		KGAARN
CC(C)Oc1cnn(-c2ccc(Cl)cc2)c(=O)c1Nc1cccc(C(=O)NCCN2CCOCC2)c1	ZINC000036070455	554167344	/nfs/dbraw/zinc/16/73/44/554167344.db2.gz	IZZCHVVLLAYQSU-UHFFFAOYSA-N	0	0	512.010	3.479	50	0		KGAARN
CCOC(=O)C1CCN(C(=O)c2cccc(Nc3c(Oc4ccc5c(c4)OCO5)cnn(C)c3=O)c2)CC1	ZINC000036071176	554168106	/nfs/dbraw/zinc/16/81/06/554168106.db2.gz	FFBCOMJACPRKBP-UHFFFAOYSA-N	0	0	520.542	3.460	50	0		KGAARN
CCOC(=O)[C@@H]1CCCN(C(=O)c2cccc(Nc3c(Oc4ccc5c(c4)OCO5)cnn(C)c3=O)c2)C1	ZINC000036071178	554168126	/nfs/dbraw/zinc/16/81/26/554168126.db2.gz	NMWFYDCBELCSMP-GOSISDBHSA-N	0	0	520.542	3.460	50	0		KGAARN
CCOC(=O)[C@H]1CCCN(C(=O)c2cccc(Nc3c(Oc4ccc5c(c4)OCO5)cnn(C)c3=O)c2)C1	ZINC000036071179	554168142	/nfs/dbraw/zinc/16/81/42/554168142.db2.gz	NMWFYDCBELCSMP-SFHVURJKSA-N	0	0	520.542	3.460	50	0		KGAARN
Cc1ccc(-c2ccc(N3CCCN(C(=O)CN(C[C@@H]4CCCO4)C(=O)c4ccco4)CC3)nn2)cc1	ZINC000036071226	554168454	/nfs/dbraw/zinc/16/84/54/554168454.db2.gz	FVFCLCUXAFBSCG-QHCPKHFHSA-N	0	0	503.603	3.405	50	0		KGAARN
Cc1ccc(-c2ccc(N3CCCN(C(=O)CN(C[C@H]4CCCO4)C(=O)c4ccco4)CC3)nn2)cc1	ZINC000036071227	554168364	/nfs/dbraw/zinc/16/83/64/554168364.db2.gz	FVFCLCUXAFBSCG-HSZRJFAPSA-N	0	0	503.603	3.405	50	0		KGAARN
COCCN(CC(=O)N1CCN(c2ccc(-c3ccc(Cl)cc3Cl)nn2)CC1)C(=O)c1ccco1	ZINC000036071273	554168422	/nfs/dbraw/zinc/16/84/22/554168422.db2.gz	SFRRNFDMXSSYKJ-UHFFFAOYSA-N	0	0	518.401	3.481	50	0		KGAARN
COCCN(CC(=O)N1CCCN(c2ccc(-c3ccc(OC)cc3)nn2)CC1)C(=O)c1ccc(F)cc1	ZINC000036071334	554168603	/nfs/dbraw/zinc/16/86/03/554168603.db2.gz	DJSCBOVYZWGCCE-UHFFFAOYSA-N	0	0	521.593	3.119	50	0		KGAARN
COCCN(CC(=O)N1CCCN(c2ccc(-c3ccc(OC)cc3)nn2)CC1)C(=O)c1cccs1	ZINC000036071338	554168600	/nfs/dbraw/zinc/16/86/00/554168600.db2.gz	VSFQUVOHAHJEFX-UHFFFAOYSA-N	0	0	509.632	3.041	50	0		KGAARN
COCCN(CC(=O)N1CCCN(c2ccc(-c3ccc(OC)cc3)nn2)CC1)C(=O)c1ccc(C)cc1	ZINC000036071340	554168614	/nfs/dbraw/zinc/16/86/14/554168614.db2.gz	LHBUQRSJPHQVRO-UHFFFAOYSA-N	0	0	517.630	3.288	50	0		KGAARN
COCCN(CC(=O)N1CCCN(c2ccc(-c3ccc(OC)cc3)nn2)CC1)C(=O)c1ccccc1F	ZINC000036071341	554168617	/nfs/dbraw/zinc/16/86/17/554168617.db2.gz	KZKUDLRMZNDODU-UHFFFAOYSA-N	0	0	521.593	3.119	50	0		KGAARN
COCCN(CC(=O)N1CCCN(c2ccc(-c3ccc(OC)cc3)nn2)CC1)C(=O)c1cccc(F)c1	ZINC000036071342	554168607	/nfs/dbraw/zinc/16/86/07/554168607.db2.gz	UFAGLSRDDPVURG-UHFFFAOYSA-N	0	0	521.593	3.119	50	0		KGAARN
COCCN(CC(=O)N1CCCN(c2ccc(-c3ccc(OC)cc3)nn2)CC1)C(=O)c1ccccc1C	ZINC000036071343	554168618	/nfs/dbraw/zinc/16/86/18/554168618.db2.gz	TYFYSPBYWVOXDU-UHFFFAOYSA-N	0	0	517.630	3.288	50	0		KGAARN
COCCN(CC(=O)N1CCCN(c2ccc(-c3cccc(OC)c3)nn2)CC1)C(=O)c1ccc(F)cc1	ZINC000036071433	554168802	/nfs/dbraw/zinc/16/88/02/554168802.db2.gz	SZPYMTNBXMSGCA-UHFFFAOYSA-N	0	0	521.593	3.119	50	0		KGAARN
COCCN(CC(=O)N1CCCN(c2ccc(-c3cccc(OC)c3)nn2)CC1)C(=O)c1cccs1	ZINC000036071435	554168848	/nfs/dbraw/zinc/16/88/48/554168848.db2.gz	MDSVHQIGAVIPHV-UHFFFAOYSA-N	0	0	509.632	3.041	50	0		KGAARN
CCN(CC(=O)N1CCCN(c2ccc(-c3cccc(OC)c3)nn2)CC1)C(=O)c1ccc(OC)cc1	ZINC000036071491	554169058	/nfs/dbraw/zinc/16/90/58/554169058.db2.gz	XZZKHMYUVLKFCJ-UHFFFAOYSA-N	0	0	503.603	3.362	50	0		KGAARN
CCN(CC(=O)N1CCCN(c2ccc(-c3cccc(OC)c3)nn2)CC1)C(=O)c1cccc(OC)c1	ZINC000036071499	554169030	/nfs/dbraw/zinc/16/90/30/554169030.db2.gz	CYWQGDGHPXMKTQ-UHFFFAOYSA-N	0	0	503.603	3.362	50	0		KGAARN
CCN(CC(=O)N1CCCN(c2ccc(-c3cccc(OC)c3)nn2)CC1)C(=O)c1ccc2c(c1)OCO2	ZINC000036071500	554169079	/nfs/dbraw/zinc/16/90/79/554169079.db2.gz	XLAYCVKOEZYZBC-UHFFFAOYSA-N	0	0	517.586	3.082	50	0		KGAARN
COc1cccc(-c2ccc(N3CCCN(C(=O)CN(C(=O)c4ccc5c(c4)OCO5)C4CC4)CC3)nn2)c1	ZINC000036071519	554169336	/nfs/dbraw/zinc/16/93/36/554169336.db2.gz	LHQYKIHNQKWOEY-UHFFFAOYSA-N	0	0	529.597	3.224	50	0		KGAARN
COCCN(CC(=O)N1CCN(c2ccc(-c3ccc(Cl)cc3Cl)nn2)CC1)C(=O)NC(C)C	ZINC000036071595	554169261	/nfs/dbraw/zinc/16/92/61/554169261.db2.gz	OSJXUSBEPWQRAL-UHFFFAOYSA-N	0	0	509.438	3.165	50	0		KGAARN
COc1ccc(-c2ccc(N3CCCN(C(=O)CN(Cc4ccco4)C(=O)NC(C)C)CC3)nn2)cc1	ZINC000036071603	554169264	/nfs/dbraw/zinc/16/92/64/554169264.db2.gz	KFYFDZFCUPTUJR-UHFFFAOYSA-N	0	0	506.607	3.404	50	0		KGAARN
CCNC(=O)N(CC(=O)N1CCCN(c2ccc(-c3cccc(OC)c3)nn2)CC1)Cc1ccccc1	ZINC000036071624	554169268	/nfs/dbraw/zinc/16/92/68/554169268.db2.gz	WRYLSSFEWLWBEN-UHFFFAOYSA-N	0	0	502.619	3.423	50	0		KGAARN
CCN(CC(=O)N1CCCN(c2ccc(-c3cccc(OC)c3)nn2)CC1)S(=O)(=O)c1ccc(C)cc1	ZINC000036071657	554169636	/nfs/dbraw/zinc/16/96/36/554169636.db2.gz	XTCHNXFNADHUPC-UHFFFAOYSA-N	0	0	523.659	3.210	50	0		KGAARN
COCCN(CC(=O)N1CCN(c2ccc(-c3ccc(F)cc3)nn2)CC1)C(=O)c1ccccc1Cl	ZINC000036072603	554170261	/nfs/dbraw/zinc/17/02/61/554170261.db2.gz	ZYQNKMWOOWOTQN-UHFFFAOYSA-N	0	0	511.985	3.374	50	0		KGAARN
CC(C)N(CC(=O)N1CCN(c2ccc(-c3ccc(F)cc3)nn2)CC1)C(=O)c1ccc2c(c1)OCO2	ZINC000036072620	554170271	/nfs/dbraw/zinc/17/02/71/554170271.db2.gz	VONISTPDVJCQTM-UHFFFAOYSA-N	0	0	505.550	3.211	50	0		KGAARN
COc1ccc(-c2ccc(N3CCN(C(=O)CN(Cc4ccco4)C(=O)C(C)C)CC3)nn2)cc1OC	ZINC000036072786	554170275	/nfs/dbraw/zinc/17/02/75/554170275.db2.gz	HQDOPMSFGKABLH-UHFFFAOYSA-N	0	0	507.591	3.087	50	0		KGAARN
COc1ccc(-c2ccc(N3CCN(C(=O)CN(Cc4ccco4)C(=O)C4CCC4)CC3)nn2)cc1OC	ZINC000036072787	554170259	/nfs/dbraw/zinc/17/02/59/554170259.db2.gz	DJYAABYWKCUWEI-UHFFFAOYSA-N	0	0	519.602	3.231	50	0		KGAARN
COc1ccc(-c2ccc(N3CCN(C(=O)CN(Cc4ccco4)C(=O)CC(C)C)CC3)nn2)cc1OC	ZINC000036072788	554170310	/nfs/dbraw/zinc/17/03/10/554170310.db2.gz	MCDHIISNFDSBOY-UHFFFAOYSA-N	0	0	521.618	3.477	50	0		KGAARN
COc1ccc(-c2ccc(N3CCN(C(=O)CN(Cc4ccccc4)C(=O)C(C)C)CC3)nn2)cc1OC	ZINC000036072792	554170341	/nfs/dbraw/zinc/17/03/41/554170341.db2.gz	KQRBCRHMQQLIOY-UHFFFAOYSA-N	0	0	517.630	3.494	50	0		KGAARN
COc1ccc(-c2ccc(N3CCN(C(=O)CN(Cc4ccccc4)C(=O)C4CC4)CC3)nn2)cc1OC	ZINC000036072795	554170285	/nfs/dbraw/zinc/17/02/85/554170285.db2.gz	UXOPREKZYWEJPG-UHFFFAOYSA-N	0	0	515.614	3.248	50	0		KGAARN
COc1ccc(-c2ccc(N3CCN(C(=O)CN(C(=O)c4ccc(F)cc4)C(C)C)CC3)nn2)cc1OC	ZINC000036072797	554170279	/nfs/dbraw/zinc/17/02/79/554170279.db2.gz	WDSKNKWSODBRSU-UHFFFAOYSA-N	0	0	521.593	3.499	50	0		KGAARN
COc1ccc(-c2ccc(N3CCN(C(=O)CN(C(=O)c4cccs4)C(C)C)CC3)nn2)cc1OC	ZINC000036072802	554170265	/nfs/dbraw/zinc/17/02/65/554170265.db2.gz	QWHVZXOTWYRABD-UHFFFAOYSA-N	0	0	509.632	3.422	50	0		KGAARN
COc1ccc(-c2ccc(N3CCN(C(=O)CN(C(=O)c4ccccc4)C(C)C)CC3)nn2)cc1OC	ZINC000036072804	554170657	/nfs/dbraw/zinc/17/06/57/554170657.db2.gz	FYHYOPNYPOAOSC-UHFFFAOYSA-N	0	0	503.603	3.360	50	0		KGAARN
COc1ccc(-c2ccc(N3CCN(C(=O)CN(C(=O)c4ccccc4F)C(C)C)CC3)nn2)cc1OC	ZINC000036072806	554170573	/nfs/dbraw/zinc/17/05/73/554170573.db2.gz	FQYMURBZOAVEDC-UHFFFAOYSA-N	0	0	521.593	3.499	50	0		KGAARN
COc1ccc(-c2ccc(N3CCN(C(=O)CN(C(=O)Cc4ccccc4)C(C)C)CC3)nn2)cc1OC	ZINC000036072808	554170613	/nfs/dbraw/zinc/17/06/13/554170613.db2.gz	KCBGAWPHSXUVEL-UHFFFAOYSA-N	0	0	517.630	3.289	50	0		KGAARN
COc1cccc(C(=O)N(CC(=O)N2CCN(c3ccc(-c4ccc(OC)c(OC)c4)nn3)CC2)C(C)C)c1	ZINC000036072810	554170559	/nfs/dbraw/zinc/17/05/59/554170559.db2.gz	PBGAYIUGGBWSNG-UHFFFAOYSA-N	0	0	533.629	3.369	50	0		KGAARN
COc1ccc(-c2ccc(N3CCN(C(=O)CN(C(C)=O)[C@@H](C)c4ccccc4)CC3)nn2)cc1OC	ZINC000036072821	554170679	/nfs/dbraw/zinc/17/06/79/554170679.db2.gz	CSZQJSOLCRSBML-FQEVSTJZSA-N	0	0	503.603	3.419	50	0		KGAARN
COc1ccc(-c2ccc(N3CCN(C(=O)CN(C(C)=O)[C@H](C)c4ccccc4)CC3)nn2)cc1OC	ZINC000036072822	554170620	/nfs/dbraw/zinc/17/06/20/554170620.db2.gz	CSZQJSOLCRSBML-HXUWFJFHSA-N	0	0	503.603	3.419	50	0		KGAARN
CCN(CC(=O)N1CCN(c2ccc(-c3ccc(OC)c(OC)c3)nn2)CC1)C(=O)c1ccc(C)cc1	ZINC000036072835	554170651	/nfs/dbraw/zinc/17/06/51/554170651.db2.gz	KTHMZSQVIJOKHG-UHFFFAOYSA-N	0	0	503.603	3.280	50	0		KGAARN
CCN(CC(=O)N1CCN(c2ccc(-c3ccc(OC)c(OC)c3)nn2)CC1)C(=O)c1cccc(F)c1	ZINC000036072837	554170627	/nfs/dbraw/zinc/17/06/27/554170627.db2.gz	XISBRNZNLDOOBP-UHFFFAOYSA-N	0	0	507.566	3.111	50	0		KGAARN
COc1ccc(-c2ccc(N3CCN(C(=O)CN(CCc4ccccc4)C(=O)C4CC4)CC3)nn2)cc1OC	ZINC000036072848	554170647	/nfs/dbraw/zinc/17/06/47/554170647.db2.gz	TWDOYIVKDRDZNF-UHFFFAOYSA-N	0	0	529.641	3.291	50	0		KGAARN
CCCN(CC(=O)N1CCN(c2ccc(-c3ccc(OC)c(OC)c3)nn2)CC1)C(=O)c1cccs1	ZINC000036072854	554170688	/nfs/dbraw/zinc/17/06/88/554170688.db2.gz	CXWZTMUCMMLSER-UHFFFAOYSA-N	0	0	509.632	3.423	50	0		KGAARN
CCCN(CC(=O)N1CCN(c2ccc(-c3ccc(OC)c(OC)c3)nn2)CC1)C(=O)c1ccc(OC)cc1	ZINC000036072855	554170591	/nfs/dbraw/zinc/17/05/91/554170591.db2.gz	BZYKJFXJXHFTJI-UHFFFAOYSA-N	0	0	533.629	3.370	50	0		KGAARN
CCCN(CC(=O)N1CCN(c2ccc(-c3ccc(OC)c(OC)c3)nn2)CC1)C(=O)c1ccccc1	ZINC000036072857	554170599	/nfs/dbraw/zinc/17/05/99/554170599.db2.gz	MQCZWDRHFPRGQZ-UHFFFAOYSA-N	0	0	503.603	3.362	50	0		KGAARN
CCCN(CC(=O)N1CCN(c2ccc(-c3ccc(OC)c(OC)c3)nn2)CC1)C(=O)c1cccc(OC)c1	ZINC000036072863	554170610	/nfs/dbraw/zinc/17/06/10/554170610.db2.gz	INMAUHWBJBKPLC-UHFFFAOYSA-N	0	0	533.629	3.370	50	0		KGAARN
COc1ccc(-c2ccc(N3CCCN(C(=O)CN(CC(C)C)C(=O)C4CCC4)CC3)nn2)cc1OC	ZINC000036072906	554170843	/nfs/dbraw/zinc/17/08/43/554170843.db2.gz	WVEWDRUENIXHAB-UHFFFAOYSA-N	0	0	509.651	3.484	50	0		KGAARN
COc1ccc(-c2ccc(N3CCCN(C(=O)CN(Cc4ccco4)C(=O)C4CC4)CC3)nn2)cc1OC	ZINC000036072909	554170857	/nfs/dbraw/zinc/17/08/57/554170857.db2.gz	KBBXPHMUUXRYTN-UHFFFAOYSA-N	0	0	519.602	3.231	50	0		KGAARN
COc1ccc(-c2ccc(N3CCCN(C(=O)CN(C(=O)c4ccco4)C(C)C)CC3)nn2)cc1OC	ZINC000036072912	554170863	/nfs/dbraw/zinc/17/08/63/554170863.db2.gz	MWTIUJKSWMZAFU-UHFFFAOYSA-N	0	0	507.591	3.343	50	0		KGAARN
COc1ccc(-c2ccc(N3CCCN(C(=O)CN(C(=O)c4ccco4)C4CC4)CC3)nn2)cc1OC	ZINC000036072926	554170855	/nfs/dbraw/zinc/17/08/55/554170855.db2.gz	KSXLOVLHJFFJIJ-UHFFFAOYSA-N	0	0	505.575	3.097	50	0		KGAARN
COc1ccc(-c2ccc(N3CCCN(C(=O)CN(C(=O)Cc4ccccc4)C4CC4)CC3)nn2)cc1OC	ZINC000036072932	554170882	/nfs/dbraw/zinc/17/08/82/554170882.db2.gz	QJJKOPSNAHOLAV-UHFFFAOYSA-N	0	0	529.641	3.433	50	0		KGAARN
COc1ccc(-c2ccc(N3CCCN(C(=O)CN(C(=O)Cc4ccccc4)C4CC4)CC3)nn2)c(OC)c1	ZINC000036072961	554170867	/nfs/dbraw/zinc/17/08/67/554170867.db2.gz	DRGNARPHPVIDIE-UHFFFAOYSA-N	0	0	529.641	3.433	50	0		KGAARN
CCCNC(=O)N(CC(=O)N1CCN(c2ccc(-c3ccc(OC)c(OC)c3)nn2)CC1)Cc1ccco1	ZINC000036073003	554171141	/nfs/dbraw/zinc/17/11/41/554171141.db2.gz	SVGQQOWACYSCFA-UHFFFAOYSA-N	0	0	522.606	3.024	50	0		KGAARN
COc1ccc(-c2ccc(N3CCN(C(=O)CN(Cc4ccccc4)C(=O)NC(C)C)CC3)nn2)cc1OC	ZINC000036073004	554171179	/nfs/dbraw/zinc/17/11/79/554171179.db2.gz	YHPZYCPWMVGUMU-UHFFFAOYSA-N	0	0	532.645	3.430	50	0		KGAARN
CCCNC(=O)N(CC(=O)N1CCN(c2ccc(-c3ccc(OC)c(OC)c3)nn2)CC1)Cc1ccccc1	ZINC000036073005	554171164	/nfs/dbraw/zinc/17/11/64/554171164.db2.gz	YRBWGTDHRFKHQC-UHFFFAOYSA-N	0	0	532.645	3.431	50	0		KGAARN
COc1ccc(-c2ccc(N3CCCN(C(=O)CN(CC(C)C)C(=O)NC(C)C)CC3)nn2)cc1OC	ZINC000036073017	554171109	/nfs/dbraw/zinc/17/11/09/554171109.db2.gz	MNUZQESNHDCDIA-UHFFFAOYSA-N	0	0	512.655	3.276	50	0		KGAARN
CCCCN(CC(=O)N1CCCN(c2ccc(-c3ccc(OC)c(OC)c3)nn2)CC1)C(=O)NC(C)C	ZINC000036073026	554171190	/nfs/dbraw/zinc/17/11/90/554171190.db2.gz	FTSTUDHVHPPONK-UHFFFAOYSA-N	0	0	512.655	3.420	50	0		KGAARN
CCCCN(CC(=O)N1CCCN(c2ccc(-c3ccc(OC)c(OC)c3)nn2)CC1)C(=O)NCCC	ZINC000036073027	554171172	/nfs/dbraw/zinc/17/11/72/554171172.db2.gz	QPFLCIKFZYKJLV-UHFFFAOYSA-N	0	0	512.655	3.421	50	0		KGAARN
COc1cccc(CN(CCN2CCOCC2)Cc2nc(C(=O)N(C)Cc3ccccc3)co2)c1OC	ZINC000036073622	554171718	/nfs/dbraw/zinc/17/17/18/554171718.db2.gz	IGEJCMFEFYJDHF-UHFFFAOYSA-N	0	0	508.619	3.298	50	0		KGAARN
COCC(=O)N(CC(=O)N1CCCN(c2ccc(-c3ccc(OC)cc3)nn2)CC1)Cc1ccc(F)cc1	ZINC000036073760	554171968	/nfs/dbraw/zinc/17/19/68/554171968.db2.gz	LYNKHCOUWAFFCN-UHFFFAOYSA-N	0	0	521.593	3.005	50	0		KGAARN
COc1ccc(-c2ccc(N3CCN(C(=O)CN(CCc4ccccc4)C(=O)C4CC4)CC3)nn2)c(OC)c1	ZINC000036073862	554172261	/nfs/dbraw/zinc/17/22/61/554172261.db2.gz	HAERPYUWVQCZSM-UHFFFAOYSA-N	0	0	529.641	3.291	50	0		KGAARN
COc1ccc(C(=O)N(CC(=O)N2CCN(c3ccc(-c4cccc(OC)c4)nn3)CC2)C(C)C)cc1	ZINC000036073913	554172244	/nfs/dbraw/zinc/17/22/44/554172244.db2.gz	FORZACWPDQRKEN-UHFFFAOYSA-N	0	0	503.603	3.360	50	0		KGAARN
COc1cccc(-c2ccc(N3CCN(C(=O)CN(C(=O)c4ccc5c(c4)OCO5)C(C)C)CC3)nn2)c1	ZINC000036073921	554172221	/nfs/dbraw/zinc/17/22/21/554172221.db2.gz	HSLFGYDCWXDZRQ-UHFFFAOYSA-N	0	0	517.586	3.080	50	0		KGAARN
CC[C@@H](C)N(CC(=O)N1CCN(c2ccc(-c3cccc(OC)c3)nn2)CC1)C(=O)c1ccc2c(c1)OCO2	ZINC000036073956	554172530	/nfs/dbraw/zinc/17/25/30/554172530.db2.gz	AMUHCVBILHGFEH-HXUWFJFHSA-N	0	0	531.613	3.470	50	0		KGAARN
CC[C@H](C)N(CC(=O)N1CCN(c2ccc(-c3cccc(OC)c3)nn2)CC1)C(=O)c1ccc2c(c1)OCO2	ZINC000036073957	554172541	/nfs/dbraw/zinc/17/25/41/554172541.db2.gz	AMUHCVBILHGFEH-FQEVSTJZSA-N	0	0	531.613	3.470	50	0		KGAARN
COc1ccc(C(=O)N(CC(=O)N2CCN(c3ccc(-c4cccc(OC)c4)nn3)CC2)C2CC2)cc1	ZINC000036073986	554172544	/nfs/dbraw/zinc/17/25/44/554172544.db2.gz	USUJHYQZCFKLDB-UHFFFAOYSA-N	0	0	501.587	3.114	50	0		KGAARN
COc1cccc(-c2ccc(N3CCN(C(=O)CN(Cc4ccc5c(c4)OCO5)C(=O)C(C)C)CC3)nn2)c1	ZINC000036073993	554172510	/nfs/dbraw/zinc/17/25/10/554172510.db2.gz	ORVBEXVNBUQBFX-UHFFFAOYSA-N	0	0	531.613	3.214	50	0		KGAARN
CCCN(CC(=O)N1CCN(c2ccc(-c3cccc(OC)c3)nn2)CC1)C(=O)c1ccc(OC)cc1	ZINC000036074010	554172519	/nfs/dbraw/zinc/17/25/19/554172519.db2.gz	JNZQDESWZOAFKL-UHFFFAOYSA-N	0	0	503.603	3.362	50	0		KGAARN
COc1cccc(-c2ccc(N3CCN(C(=O)CN(Cc4ccc(F)cc4)C(=O)C4CC4)CC3)nn2)c1	ZINC000036074022	554172496	/nfs/dbraw/zinc/17/24/96/554172496.db2.gz	MKMPDIPPASJZQR-UHFFFAOYSA-N	0	0	503.578	3.379	50	0		KGAARN
COc1cccc(-c2ccc(N3CCN(C(=O)CN(C[C@@H]4CCCO4)C(=O)c4cccs4)CC3)nn2)c1	ZINC000036074032	554172527	/nfs/dbraw/zinc/17/25/27/554172527.db2.gz	FKASIODYPJAYPP-QFIPXVFZSA-N	0	0	521.643	3.184	50	0		KGAARN
COc1cccc(-c2ccc(N3CCN(C(=O)CN(C[C@H]4CCCO4)C(=O)c4cccs4)CC3)nn2)c1	ZINC000036074033	554172660	/nfs/dbraw/zinc/17/26/60/554172660.db2.gz	FKASIODYPJAYPP-JOCHJYFZSA-N	0	0	521.643	3.184	50	0		KGAARN
COc1cccc(-c2ccc(N3CCN(C(=O)CN(C[C@@H]4CCCO4)C(=O)c4ccccc4)CC3)nn2)c1	ZINC000036074034	554172707	/nfs/dbraw/zinc/17/27/07/554172707.db2.gz	PZGRNFUZDMBKOS-VWLOTQADSA-N	0	0	515.614	3.122	50	0		KGAARN
COc1cccc(-c2ccc(N3CCN(C(=O)CN(C[C@H]4CCCO4)C(=O)c4ccccc4)CC3)nn2)c1	ZINC000036074035	554172750	/nfs/dbraw/zinc/17/27/50/554172750.db2.gz	PZGRNFUZDMBKOS-RUZDIDTESA-N	0	0	515.614	3.122	50	0		KGAARN
COc1cccc(-c2ccc(N3CCN(C(=O)CN(CC4CC4)C(=O)c4ccc(F)cc4)CC3)nn2)c1	ZINC000036074066	554172674	/nfs/dbraw/zinc/17/26/74/554172674.db2.gz	FBXZDZPWMCAEHJ-UHFFFAOYSA-N	0	0	503.578	3.492	50	0		KGAARN
COc1ccc(C(=O)N(CC(=O)N2CCN(c3ccc(-c4cccc(OC)c4)nn3)CC2)CC2CC2)cc1	ZINC000036074071	554172759	/nfs/dbraw/zinc/17/27/59/554172759.db2.gz	CGWUYQYRWHWNIQ-UHFFFAOYSA-N	0	0	515.614	3.362	50	0		KGAARN
COc1cccc(-c2ccc(N3CCN(C(=O)CN(CC4CC4)C(=O)c4ccccc4F)CC3)nn2)c1	ZINC000036074074	554172754	/nfs/dbraw/zinc/17/27/54/554172754.db2.gz	RNSSPENDDOICNU-UHFFFAOYSA-N	0	0	503.578	3.492	50	0		KGAARN
COc1cccc(-c2ccc(N3CCN(C(=O)CN(CC4CC4)C(=O)c4cccc(F)c4)CC3)nn2)c1	ZINC000036074075	554172746	/nfs/dbraw/zinc/17/27/46/554172746.db2.gz	ABLVKKCOYVQQLL-UHFFFAOYSA-N	0	0	503.578	3.492	50	0		KGAARN
COc1cccc(C(=O)N(CC(=O)N2CCN(c3ccc(-c4cccc(OC)c4)nn3)CC2)CC2CC2)c1	ZINC000036074078	554172711	/nfs/dbraw/zinc/17/27/11/554172711.db2.gz	SZWBQLFYKWAMFA-UHFFFAOYSA-N	0	0	515.614	3.362	50	0		KGAARN
COCCN(CC(=O)N1CCN(c2ccc(-c3cccc(OC)c3)nn2)CC1)C(=O)Nc1ccc(C)cc1	ZINC000036074156	554173011	/nfs/dbraw/zinc/17/30/11/554173011.db2.gz	DUPWVFCVXKSNMX-UHFFFAOYSA-N	0	0	518.618	3.290	50	0		KGAARN
COc1cccc(-c2ccc(N3CCN(C(=O)CN(Cc4ccccc4)C(=O)NC(C)C)CC3)nn2)c1	ZINC000036074160	554173029	/nfs/dbraw/zinc/17/30/29/554173029.db2.gz	SXCVCTWEDHLESB-UHFFFAOYSA-N	0	0	502.619	3.421	50	0		KGAARN
CCCNC(=O)N(CC(=O)N1CCN(c2ccc(-c3cccc(OC)c3)nn2)CC1)Cc1ccccc1	ZINC000036074161	554173047	/nfs/dbraw/zinc/17/30/47/554173047.db2.gz	NHNSWFGGFRGKQQ-UHFFFAOYSA-N	0	0	502.619	3.423	50	0		KGAARN
CCNC(=O)N(CCc1ccccc1)CC(=O)N1CCN(c2ccc(-c3cccc(OC)c3)nn2)CC1	ZINC000036074179	554173227	/nfs/dbraw/zinc/17/32/27/554173227.db2.gz	NONKRZMMLGHWIT-UHFFFAOYSA-N	0	0	502.619	3.075	50	0		KGAARN
COc1cccc(-c2ccc(N3CCN(C(=O)CN(CCc4ccccc4)C(=O)NC(C)C)CC3)nn2)c1	ZINC000036074180	554173261	/nfs/dbraw/zinc/17/32/61/554173261.db2.gz	BRUDRGRPPXAXCQ-UHFFFAOYSA-N	0	0	516.646	3.464	50	0		KGAARN
CCCNC(=O)N(CCc1ccccc1)CC(=O)N1CCN(c2ccc(-c3cccc(OC)c3)nn2)CC1	ZINC000036074181	554173280	/nfs/dbraw/zinc/17/32/80/554173280.db2.gz	LOFZODOVUIEVLF-UHFFFAOYSA-N	0	0	516.646	3.465	50	0		KGAARN
CCNC(=O)N(CC(=O)N1CCN(c2ccc(-c3cccc(OC)c3)nn2)CC1)Cc1ccc(F)cc1	ZINC000036074184	554173318	/nfs/dbraw/zinc/17/33/18/554173318.db2.gz	GRODIPKQRDFPAW-UHFFFAOYSA-N	0	0	506.582	3.172	50	0		KGAARN
CCCN(CC(=O)N1CCN(c2ccc(-c3cccc(OC)c3)nn2)CC1)S(=O)(=O)c1ccc(C)cc1	ZINC000036074207	554173272	/nfs/dbraw/zinc/17/32/72/554173272.db2.gz	HCKLKCZSVAZSOZ-UHFFFAOYSA-N	0	0	523.659	3.210	50	0		KGAARN
COCCN(CC(=O)N1CCCN(c2ccc(-c3ccc(F)cc3)nn2)CC1)C(=O)c1ccc(F)cc1	ZINC000036074214	554173307	/nfs/dbraw/zinc/17/33/07/554173307.db2.gz	PLTVMDUDLNPNGN-UHFFFAOYSA-N	0	0	509.557	3.249	50	0		KGAARN
COCCN(CC(=O)N1CCCN(c2ccc(-c3ccc(F)cc3)nn2)CC1)C(=O)c1cccc(OC)c1	ZINC000036074218	554173268	/nfs/dbraw/zinc/17/32/68/554173268.db2.gz	XVSPVGNIJZNDNY-UHFFFAOYSA-N	0	0	521.593	3.119	50	0		KGAARN
O=C(CN(C(=O)c1ccc2c(c1)OCO2)C1CC1)N1CCCN(c2ccc(-c3ccc(F)cc3)nn2)CC1	ZINC000036074241	554173238	/nfs/dbraw/zinc/17/32/38/554173238.db2.gz	BFYUSXWXDJIIQE-UHFFFAOYSA-N	0	0	517.561	3.355	50	0		KGAARN
O=C(CN(C(=O)c1ccc2c(c1)OCO2)C1CC1)N1CCN(c2ccc(-c3ccccc3Cl)nn2)CC1	ZINC000036074305	554173516	/nfs/dbraw/zinc/17/35/16/554173516.db2.gz	CYLNYGQIEJMELB-UHFFFAOYSA-N	0	0	519.989	3.479	50	0		KGAARN
CC(=O)N(CC(=O)N1CCN(c2ccc(-c3ccccc3Cl)nn2)CC1)Cc1ccc2c(c1)OCO2	ZINC000036074306	554173506	/nfs/dbraw/zinc/17/35/06/554173506.db2.gz	LZSNZUQGWXQEIA-UHFFFAOYSA-N	0	0	507.978	3.223	50	0		KGAARN
Cc1ccc(S(=O)(=O)N(CC(=O)N2CCCN(c3ccc(-c4ccc(F)cc4)nn3)CC2)C2CC2)cc1	ZINC000036082539	554174749	/nfs/dbraw/zinc/17/47/49/554174749.db2.gz	HVSJDHIHXDJLGH-UHFFFAOYSA-N	0	0	523.634	3.483	50	0		KGAARN
CCC(=O)N(CC(=O)N1CCN(c2ccc(-c3ccc(OC)cc3OC)nn2)CC1)Cc1ccc(F)cc1	ZINC000036083289	554175165	/nfs/dbraw/zinc/17/51/65/554175165.db2.gz	STWVMIQICFPLOJ-UHFFFAOYSA-N	0	0	521.593	3.387	50	0		KGAARN
CC[C@@H](C)CN(CC(=O)N1CCN(c2ccc(-c3ccc(OC)cc3OC)nn2)CC1)C(=O)C1CCC1	ZINC000036083300	554175120	/nfs/dbraw/zinc/17/51/20/554175120.db2.gz	GORWBCNQLZSQLZ-HXUWFJFHSA-N	0	0	509.651	3.484	50	0		KGAARN
CC[C@H](C)CN(CC(=O)N1CCN(c2ccc(-c3ccc(OC)cc3OC)nn2)CC1)C(=O)C1CCC1	ZINC000036083301	554175138	/nfs/dbraw/zinc/17/51/38/554175138.db2.gz	GORWBCNQLZSQLZ-FQEVSTJZSA-N	0	0	509.651	3.484	50	0		KGAARN
COc1ccc(-c2ccc(N3CCN(C(=O)CN(CC4CC4)C(=O)Cc4ccccc4)CC3)nn2)c(OC)c1	ZINC000036083310	554175492	/nfs/dbraw/zinc/17/54/92/554175492.db2.gz	RIEBPGFPEANWKJ-UHFFFAOYSA-N	0	0	529.641	3.291	50	0		KGAARN
COc1ccc(-c2ccc(N3CCN(C(=O)CN(CC4CC4)C(=O)NC(C)(C)C)CC3)nn2)c(OC)c1	ZINC000036083339	554175479	/nfs/dbraw/zinc/17/54/79/554175479.db2.gz	DSAWRHSFOOIVNC-UHFFFAOYSA-N	0	0	510.639	3.030	50	0		KGAARN
COc1ccc(-c2ccc(N3CCN(C(=O)CN(CCC(C)C)C(=O)NC(C)C)CC3)nn2)c(OC)c1	ZINC000036083343	554175499	/nfs/dbraw/zinc/17/54/99/554175499.db2.gz	GNCZVUPGWHBQIK-UHFFFAOYSA-N	0	0	512.655	3.276	50	0		KGAARN
CCCNC(=O)N(CCC(C)C)CC(=O)N1CCN(c2ccc(-c3ccc(OC)cc3OC)nn2)CC1	ZINC000036083344	554175450	/nfs/dbraw/zinc/17/54/50/554175450.db2.gz	IBBAEMZODGCEIO-UHFFFAOYSA-N	0	0	512.655	3.277	50	0		KGAARN
COc1ccc(-c2ccc(N3CCN(C(=O)CN(CCC(C)C)C(=S)NC(C)C)CC3)nn2)c(OC)c1	ZINC000036083346	554175441	/nfs/dbraw/zinc/17/54/41/554175441.db2.gz	CGADSZGXRDRBRW-UHFFFAOYSA-N	0	0	528.723	3.440	50	0		KGAARN
CCN(CC(=O)N1CCCN(c2ccc(-c3ccc(F)cc3)nn2)CC1)S(=O)(=O)c1ccc(C)cc1	ZINC000036083347	554175414	/nfs/dbraw/zinc/17/54/14/554175414.db2.gz	ODSXWXZOVDENNI-UHFFFAOYSA-N	0	0	511.623	3.341	50	0		KGAARN
Cc1cccc(Cn2c(=O)c(C(=O)NCc3ccc4c(c3)OCO4)nn(-c3ccc(Cl)cc3)c2=O)c1	ZINC000036085727	554176171	/nfs/dbraw/zinc/17/61/71/554176171.db2.gz	QJQGRMLHDIOVMG-UHFFFAOYSA-N	0	0	504.930	3.063	50	0		KGAARN
Cc1ccccc1Cn1c(=O)c(C(=O)NCc2ccc3c(c2)OCO3)nn(-c2ccc(Cl)cc2)c1=O	ZINC000036085761	554176225	/nfs/dbraw/zinc/17/62/25/554176225.db2.gz	AXGSNVSSDYLHRY-UHFFFAOYSA-N	0	0	504.930	3.063	50	0		KGAARN
CCOC(=O)[C@@H]1CCCN(C(=O)c2nn(-c3ccc(Cl)cc3)c(=O)n([C@@H](C)c3ccccc3)c2=O)C1	ZINC000036085848	554176137	/nfs/dbraw/zinc/17/61/37/554176137.db2.gz	ABBHYQCVMBWAJL-PKOBYXMFSA-N	0	0	510.978	3.072	50	0		KGAARN
CCOC(=O)[C@H]1CCCN(C(=O)c2nn(-c3ccc(Cl)cc3)c(=O)n([C@@H](C)c3ccccc3)c2=O)C1	ZINC000036085849	554176250	/nfs/dbraw/zinc/17/62/50/554176250.db2.gz	ABBHYQCVMBWAJL-HKUYNNGSSA-N	0	0	510.978	3.072	50	0		KGAARN
CCOC(=O)[C@@H]1CCCN(C(=O)c2nn(-c3ccc(Cl)cc3)c(=O)n([C@H](C)c3ccccc3)c2=O)C1	ZINC000036085850	554176210	/nfs/dbraw/zinc/17/62/10/554176210.db2.gz	ABBHYQCVMBWAJL-IEBWSBKVSA-N	0	0	510.978	3.072	50	0		KGAARN
CCOC(=O)[C@H]1CCCN(C(=O)c2nn(-c3ccc(Cl)cc3)c(=O)n([C@H](C)c3ccccc3)c2=O)C1	ZINC000036085851	554176122	/nfs/dbraw/zinc/17/61/22/554176122.db2.gz	ABBHYQCVMBWAJL-MJGOQNOKSA-N	0	0	510.978	3.072	50	0		KGAARN
Cc1ccc(-n2nc(C(=O)NCc3ccccn3)c(=O)n(Cc3ccc(C(F)(F)F)cc3)c2=O)cc1C	ZINC000036086298	554176109	/nfs/dbraw/zinc/17/61/09/554176109.db2.gz	PRROBXWSNZADRD-UHFFFAOYSA-N	0	0	509.488	3.403	50	0		KGAARN
Cc1ccc(-n2nc(C(=O)NCc3cccnc3)c(=O)n(Cc3ccc(C(F)(F)F)cc3)c2=O)cc1C	ZINC000036086299	554176191	/nfs/dbraw/zinc/17/61/91/554176191.db2.gz	KKVXLSKUHNWPPD-UHFFFAOYSA-N	0	0	509.488	3.403	50	0		KGAARN
CCOC(=O)C1CCN(C(=O)c2nn(-c3ccc(C)c(C)c3)c(=O)n(Cc3ccccc3Cl)c2=O)CC1	ZINC000036086479	554176450	/nfs/dbraw/zinc/17/64/50/554176450.db2.gz	PWBPEQRFYCDTIA-UHFFFAOYSA-N	0	0	525.005	3.128	50	0		KGAARN
CCOC(=O)[C@@H]1CCCN(C(=O)c2nn(-c3ccc(C)c(C)c3)c(=O)n(Cc3ccccc3Cl)c2=O)C1	ZINC000036086481	554176543	/nfs/dbraw/zinc/17/65/43/554176543.db2.gz	IXFJFUJBOUXDNK-HXUWFJFHSA-N	0	0	525.005	3.128	50	0		KGAARN
CCOC(=O)[C@H]1CCCN(C(=O)c2nn(-c3ccc(C)c(C)c3)c(=O)n(Cc3ccccc3Cl)c2=O)C1	ZINC000036086482	554176502	/nfs/dbraw/zinc/17/65/02/554176502.db2.gz	IXFJFUJBOUXDNK-FQEVSTJZSA-N	0	0	525.005	3.128	50	0		KGAARN
Cc1ccc(-n2nc(C(=O)NCCc3ccccn3)c(=O)n(Cc3ccc(C(F)(F)F)cc3)c2=O)cc1	ZINC000036086592	554176477	/nfs/dbraw/zinc/17/64/77/554176477.db2.gz	ROANXYWVXTYDMM-UHFFFAOYSA-N	0	0	509.488	3.137	50	0		KGAARN
Cc1ccc(-n2nc(C(=O)NCCc3ccccn3)c(=O)n(Cc3cccc(C(F)(F)F)c3)c2=O)cc1	ZINC000036086746	554176514	/nfs/dbraw/zinc/17/65/14/554176514.db2.gz	CFOUHSJTKYJBLI-UHFFFAOYSA-N	0	0	509.488	3.137	50	0		KGAARN
Cc1cccc(-n2nc(C(=O)NCCc3ccccn3)c(=O)n(Cc3ccc(C(F)(F)F)cc3)c2=O)c1	ZINC000036086884	554176555	/nfs/dbraw/zinc/17/65/55/554176555.db2.gz	FUFHFRHHAHLFIW-UHFFFAOYSA-N	0	0	509.488	3.137	50	0		KGAARN
Cc1cccc(-n2nc(C(=O)NCCc3ccccn3)c(=O)n(Cc3cccc(C(F)(F)F)c3)c2=O)c1	ZINC000036087051	554176675	/nfs/dbraw/zinc/17/66/75/554176675.db2.gz	QUJYUUNFINJWQK-UHFFFAOYSA-N	0	0	509.488	3.137	50	0		KGAARN
CC(C)c1ccc(-n2nc(C(=O)NCc3ccc4c(c3)OCO4)c(=O)n(Cc3ccccc3F)c2=O)cc1	ZINC000036087822	554176924	/nfs/dbraw/zinc/17/69/24/554176924.db2.gz	YESAPAVCZGJINY-UHFFFAOYSA-N	0	0	516.529	3.364	50	0		KGAARN
CCOC(=O)C1CCN(C(=O)c2nn(-c3ccc(C(C)C)cc3)c(=O)n(Cc3ccccc3F)c2=O)CC1	ZINC000036087838	554176909	/nfs/dbraw/zinc/17/69/09/554176909.db2.gz	ZLJDYJMRHXPDGF-UHFFFAOYSA-N	0	0	522.577	3.120	50	0		KGAARN
CCOC(=O)[C@@H]1CCCN(C(=O)c2nn(-c3ccc(C(C)C)cc3)c(=O)n(Cc3ccccc3F)c2=O)C1	ZINC000036087842	554176894	/nfs/dbraw/zinc/17/68/94/554176894.db2.gz	GOXHUIVTRMBXEQ-OAQYLSRUSA-N	0	0	522.577	3.120	50	0		KGAARN
CCOC(=O)[C@H]1CCCN(C(=O)c2nn(-c3ccc(C(C)C)cc3)c(=O)n(Cc3ccccc3F)c2=O)C1	ZINC000036087844	554176916	/nfs/dbraw/zinc/17/69/16/554176916.db2.gz	GOXHUIVTRMBXEQ-NRFANRHFSA-N	0	0	522.577	3.120	50	0		KGAARN
CCOC(=O)C1CCN(C(=O)c2nn(-c3ccc(C(C)C)cc3)c(=O)n(Cc3ccc(C)cc3)c2=O)CC1	ZINC000036087899	554176935	/nfs/dbraw/zinc/17/69/35/554176935.db2.gz	QWNWVTUWSGTFAL-UHFFFAOYSA-N	0	0	518.614	3.290	50	0		KGAARN
CCOC(=O)[C@@H]1CCCN(C(=O)c2nn(-c3ccc(C(C)C)cc3)c(=O)n(Cc3ccc(C)cc3)c2=O)C1	ZINC000036087904	554177065	/nfs/dbraw/zinc/17/70/65/554177065.db2.gz	VEEOVJDIHUGABY-HSZRJFAPSA-N	0	0	518.614	3.290	50	0		KGAARN
CCOC(=O)[C@H]1CCCN(C(=O)c2nn(-c3ccc(C(C)C)cc3)c(=O)n(Cc3ccc(C)cc3)c2=O)C1	ZINC000036087908	554177126	/nfs/dbraw/zinc/17/71/26/554177126.db2.gz	VEEOVJDIHUGABY-QHCPKHFHSA-N	0	0	518.614	3.290	50	0		KGAARN
CCOC(=O)C1CCN(C(=O)c2nn(-c3ccc(C(C)C)cc3)c(=O)n(Cc3cccc(C)c3)c2=O)CC1	ZINC000036087978	554177060	/nfs/dbraw/zinc/17/70/60/554177060.db2.gz	OAEMXOPEZKBCRN-UHFFFAOYSA-N	0	0	518.614	3.290	50	0		KGAARN
CCOC(=O)[C@@H]1CCCN(C(=O)c2nn(-c3ccc(C(C)C)cc3)c(=O)n(Cc3cccc(C)c3)c2=O)C1	ZINC000036087984	554177022	/nfs/dbraw/zinc/17/70/22/554177022.db2.gz	QOXNWFDFWKTVGA-HSZRJFAPSA-N	0	0	518.614	3.290	50	0		KGAARN
CCOC(=O)[C@H]1CCCN(C(=O)c2nn(-c3ccc(C(C)C)cc3)c(=O)n(Cc3cccc(C)c3)c2=O)C1	ZINC000036087986	554177123	/nfs/dbraw/zinc/17/71/23/554177123.db2.gz	QOXNWFDFWKTVGA-QHCPKHFHSA-N	0	0	518.614	3.290	50	0		KGAARN
CCOC(=O)C1CCN(C(=O)c2nn(-c3ccc(C(C)C)cc3)c(=O)n(Cc3ccccc3C)c2=O)CC1	ZINC000036088062	554177051	/nfs/dbraw/zinc/17/70/51/554177051.db2.gz	RDDDNFWGZJGTAJ-UHFFFAOYSA-N	0	0	518.614	3.290	50	0		KGAARN
CCOC(=O)[C@@H]1CCCN(C(=O)c2nn(-c3ccc(C(C)C)cc3)c(=O)n(Cc3ccccc3C)c2=O)C1	ZINC000036088067	554177134	/nfs/dbraw/zinc/17/71/34/554177134.db2.gz	NZOGTWXGOMMAPR-HSZRJFAPSA-N	0	0	518.614	3.290	50	0		KGAARN
CCOC(=O)[C@H]1CCCN(C(=O)c2nn(-c3ccc(C(C)C)cc3)c(=O)n(Cc3ccccc3C)c2=O)C1	ZINC000036088070	554177044	/nfs/dbraw/zinc/17/70/44/554177044.db2.gz	NZOGTWXGOMMAPR-QHCPKHFHSA-N	0	0	518.614	3.290	50	0		KGAARN
COc1ccc(-n2nc(C(=O)N[C@@H](C)c3ccccc3)c(=O)n(Cc3ccccc3C)c2=O)cc1OC	ZINC000036088233	554177027	/nfs/dbraw/zinc/17/70/27/554177027.db2.gz	GAFCTFZTGCLLOW-IBGZPJMESA-N	0	0	500.555	3.259	50	0		KGAARN
COc1ccc(-n2nc(C(=O)N[C@H](C)c3ccccc3)c(=O)n(Cc3ccccc3C)c2=O)cc1OC	ZINC000036088234	554177094	/nfs/dbraw/zinc/17/70/94/554177094.db2.gz	GAFCTFZTGCLLOW-LJQANCHMSA-N	0	0	500.555	3.259	50	0		KGAARN
COc1ccc(-n2nc(C(=O)N(C)Cc3ccccc3)c(=O)n(Cc3ccccc3C)c2=O)cc1OC	ZINC000036088244	554177146	/nfs/dbraw/zinc/17/71/46/554177146.db2.gz	LZGHCOTYCCCFBW-UHFFFAOYSA-N	0	0	500.555	3.040	50	0		KGAARN
CC[C@@H](C)NC(=O)c1nn(-c2ccc(OC)c(OC)c2)c(=O)n(Cc2cccc(C(F)(F)F)c2)c1=O	ZINC000036088312	554177031	/nfs/dbraw/zinc/17/70/31/554177031.db2.gz	XCTILBMUVXIVRX-CQSZACIVSA-N	0	0	506.481	3.007	50	0		KGAARN
CC[C@H](C)NC(=O)c1nn(-c2ccc(OC)c(OC)c2)c(=O)n(Cc2cccc(C(F)(F)F)c2)c1=O	ZINC000036088314	554177390	/nfs/dbraw/zinc/17/73/90/554177390.db2.gz	XCTILBMUVXIVRX-AWEZNQCLSA-N	0	0	506.481	3.007	50	0		KGAARN
COCCCNC(=O)c1nn(-c2ccc(C)c(Cl)c2)c(=O)n(Cc2ccc(C(F)(F)F)cc2)c1=O	ZINC000036089105	554177326	/nfs/dbraw/zinc/17/73/26/554177326.db2.gz	WWOSNLUPNUITAM-UHFFFAOYSA-N	0	0	510.900	3.189	50	0		KGAARN
CCOC(=O)C1CCN(C(=O)c2nn(-c3ccc(C)c(Cl)c3)c(=O)n(Cc3cccc(C)c3)c2=O)CC1	ZINC000036089175	554177322	/nfs/dbraw/zinc/17/73/22/554177322.db2.gz	DOFOOGFXAGRVHL-UHFFFAOYSA-N	0	0	525.005	3.128	50	0		KGAARN
CCOC(=O)[C@@H]1CCCN(C(=O)c2nn(-c3ccc(C)c(Cl)c3)c(=O)n(Cc3cccc(C)c3)c2=O)C1	ZINC000036089177	554177406	/nfs/dbraw/zinc/17/74/06/554177406.db2.gz	RGLGPSFZSFFCNK-HXUWFJFHSA-N	0	0	525.005	3.128	50	0		KGAARN
CCOC(=O)[C@H]1CCCN(C(=O)c2nn(-c3ccc(C)c(Cl)c3)c(=O)n(Cc3cccc(C)c3)c2=O)C1	ZINC000036089180	554177392	/nfs/dbraw/zinc/17/73/92/554177392.db2.gz	RGLGPSFZSFFCNK-FQEVSTJZSA-N	0	0	525.005	3.128	50	0		KGAARN
CCOC(=O)[C@@H]1CCCN(C(=O)c2nn(-c3ccc(C)c(Cl)c3)c(=O)n(Cc3ccccc3C)c2=O)C1	ZINC000036089242	554177413	/nfs/dbraw/zinc/17/74/13/554177413.db2.gz	QAKBAGMVPAHSSR-HXUWFJFHSA-N	0	0	525.005	3.128	50	0		KGAARN
CCOC(=O)[C@H]1CCCN(C(=O)c2nn(-c3ccc(C)c(Cl)c3)c(=O)n(Cc3ccccc3C)c2=O)C1	ZINC000036089245	554177344	/nfs/dbraw/zinc/17/73/44/554177344.db2.gz	QAKBAGMVPAHSSR-FQEVSTJZSA-N	0	0	525.005	3.128	50	0		KGAARN
COc1cccc(Cn2c(=O)c(C(=O)NCc3ccc(F)cc3)nn(-c3ccc(C)c(Cl)c3)c2=O)c1	ZINC000036089324	554177339	/nfs/dbraw/zinc/17/73/39/554177339.db2.gz	WDZSZZSPYISFKU-UHFFFAOYSA-N	0	0	508.937	3.482	50	0		KGAARN
Cc1ccc(-n2nc(C(=O)NCCc3ccccn3)c(=O)n(Cc3ccccc3Cl)c2=O)cc1Cl	ZINC000036089350	554177651	/nfs/dbraw/zinc/17/76/51/554177651.db2.gz	NYTXLHNQSZLZAU-UHFFFAOYSA-N	0	0	510.381	3.425	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(c3cccc(C)c3)[C@H](C)C2)NC(=O)N[C@@H]1c1cccc(OC)c1OC	ZINC000036092192	554177539	/nfs/dbraw/zinc/17/75/39/554177539.db2.gz	ZEPGDUXOKIBORH-KBMIEXCESA-N	0	0	508.619	3.394	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(c3cccc(C)c3)[C@H](C)C2)NC(=O)N[C@H]1c1cccc(OC)c1OC	ZINC000036092193	554177583	/nfs/dbraw/zinc/17/75/83/554177583.db2.gz	ZEPGDUXOKIBORH-CLOONOSVSA-N	0	0	508.619	3.394	50	0		KGAARN
Cc1ccc(S(=O)(=O)N(C)c2c(C)ccc(S(=O)(=O)N3CCN(c4ccccn4)CC3)c2C)cc1	ZINC000036092222	554177530	/nfs/dbraw/zinc/17/75/30/554177530.db2.gz	XMDHJOUXCXEOJM-UHFFFAOYSA-N	0	0	514.673	3.343	50	0		KGAARN
Cc1cc(C)cc(-n2nc(C(=O)NCc3ccc4c(c3)OCO4)c(=O)n(Cc3cccc(Cl)c3)c2=O)c1	ZINC000036094047	554177958	/nfs/dbraw/zinc/17/79/58/554177958.db2.gz	HMIBMGIYYCZIDE-UHFFFAOYSA-N	0	0	518.957	3.371	50	0		KGAARN
CCOC(=O)C1CCN(C(=O)c2nn(-c3cc(C)cc(C)c3)c(=O)n(Cc3cccc(Cl)c3)c2=O)CC1	ZINC000036094057	554177991	/nfs/dbraw/zinc/17/79/91/554177991.db2.gz	UYSUFKBZMHJLPD-UHFFFAOYSA-N	0	0	525.005	3.128	50	0		KGAARN
CCOC(=O)[C@@H]1CCCN(C(=O)c2nn(-c3cc(C)cc(C)c3)c(=O)n(Cc3cccc(Cl)c3)c2=O)C1	ZINC000036094059	554177902	/nfs/dbraw/zinc/17/79/02/554177902.db2.gz	QKPQRLNBFIZAHZ-HXUWFJFHSA-N	0	0	525.005	3.128	50	0		KGAARN
CCOC(=O)[C@H]1CCCN(C(=O)c2nn(-c3cc(C)cc(C)c3)c(=O)n(Cc3cccc(Cl)c3)c2=O)C1	ZINC000036094060	554177884	/nfs/dbraw/zinc/17/78/84/554177884.db2.gz	QKPQRLNBFIZAHZ-FQEVSTJZSA-N	0	0	525.005	3.128	50	0		KGAARN
CC(C)NC(=O)N(CCN1CCOCC1)CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(F)cc1	ZINC000036123491	554195310	/nfs/dbraw/zinc/19/53/10/554195310.db2.gz	AAVIONHGUKEQID-QHCPKHFHSA-N	0	0	518.655	3.144	50	0		KGAARN
CC(C)NC(=O)N(CCN1CCOCC1)CC(=O)N1CCc2sccc2[C@H]1COc1ccc(F)cc1	ZINC000036123493	554195306	/nfs/dbraw/zinc/19/53/06/554195306.db2.gz	AAVIONHGUKEQID-HSZRJFAPSA-N	0	0	518.655	3.144	50	0		KGAARN
CCCNC(=O)N(CCN1CCOCC1)CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(F)cc1	ZINC000036123494	554195350	/nfs/dbraw/zinc/19/53/50/554195350.db2.gz	OEACKQBQRQJPGS-QHCPKHFHSA-N	0	0	518.655	3.146	50	0		KGAARN
CCCNC(=O)N(CCN1CCOCC1)CC(=O)N1CCc2sccc2[C@H]1COc1ccc(F)cc1	ZINC000036123496	554195347	/nfs/dbraw/zinc/19/53/47/554195347.db2.gz	OEACKQBQRQJPGS-HSZRJFAPSA-N	0	0	518.655	3.146	50	0		KGAARN
Cc1ccc(S(=O)(=O)N2CCC([C@H](NC(=O)CC(C)C)C(=O)NCc3ccc(F)cc3)CC2)cc1	ZINC000036153280	554198404	/nfs/dbraw/zinc/19/84/04/554198404.db2.gz	CUNUNNIAGQAVLD-VWLOTQADSA-N	0	0	503.640	3.382	50	0		KGAARN
Cc1ccc(S(=O)(=O)N2CCC([C@@H](NC(=O)CC(C)C)C(=O)NCc3ccc(F)cc3)CC2)cc1	ZINC000036153284	554198538	/nfs/dbraw/zinc/19/85/38/554198538.db2.gz	CUNUNNIAGQAVLD-RUZDIDTESA-N	0	0	503.640	3.382	50	0		KGAARN
COCCCNC(=O)[C@H](NC(=O)c1ccccc1)C1CCN(C(=O)c2cccc(Br)c2)CC1	ZINC000036157643	554198679	/nfs/dbraw/zinc/19/86/79/554198679.db2.gz	NHNFLNWAETWDPK-JOCHJYFZSA-N	0	0	516.436	3.253	50	0		KGAARN
COCCCNC(=O)[C@@H](NC(=O)c1ccccc1)C1CCN(C(=O)c2cccc(Br)c2)CC1	ZINC000036157646	554198761	/nfs/dbraw/zinc/19/87/61/554198761.db2.gz	NHNFLNWAETWDPK-QFIPXVFZSA-N	0	0	516.436	3.253	50	0		KGAARN
O=C(N[C@H](C(=O)N1CCOCC1)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1)c1ccccc1	ZINC000036157917	554198743	/nfs/dbraw/zinc/19/87/43/554198743.db2.gz	UUHRBYZJCKJDLA-QFIPXVFZSA-N	0	0	503.521	3.215	50	0		KGAARN
O=C(N[C@@H](C(=O)N1CCOCC1)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1)c1ccccc1	ZINC000036157922	554198777	/nfs/dbraw/zinc/19/87/77/554198777.db2.gz	UUHRBYZJCKJDLA-JOCHJYFZSA-N	0	0	503.521	3.215	50	0		KGAARN
COCCNC(=O)[C@H](NC(=O)c1ccc(F)cc1)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1	ZINC000036158160	554199062	/nfs/dbraw/zinc/19/90/62/554199062.db2.gz	SXLHZIIVAYLDED-OAQYLSRUSA-N	0	0	509.500	3.258	50	0		KGAARN
COCCNC(=O)[C@@H](NC(=O)c1ccc(F)cc1)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1	ZINC000036158164	554199160	/nfs/dbraw/zinc/19/91/60/554199160.db2.gz	SXLHZIIVAYLDED-NRFANRHFSA-N	0	0	509.500	3.258	50	0		KGAARN
COCCNC(=O)[C@H](NC(=O)c1ccc(F)cc1)C1CCN(C(=O)c2cccc(Br)c2)CC1	ZINC000036158240	554199108	/nfs/dbraw/zinc/19/91/08/554199108.db2.gz	IALKUUATSKHGRV-OAQYLSRUSA-N	0	0	520.399	3.002	50	0		KGAARN
COCCNC(=O)[C@@H](NC(=O)c1ccc(F)cc1)C1CCN(C(=O)c2cccc(Br)c2)CC1	ZINC000036158243	554199039	/nfs/dbraw/zinc/19/90/39/554199039.db2.gz	IALKUUATSKHGRV-NRFANRHFSA-N	0	0	520.399	3.002	50	0		KGAARN
CCN1CCN(S(=O)(=O)c2ccc(F)c(C(=O)Nc3c(F)cc(F)cc3Br)c2)CC1	ZINC000036189008	554200517	/nfs/dbraw/zinc/20/05/17/554200517.db2.gz	XIRVAXWFEHXUJG-UHFFFAOYSA-N	0	0	506.344	3.445	50	0		KGAARN
CC(C)OC[C@H](O)CN(CCN1CCOCC1)Cc1nc2scc(-c3ccc(Cl)cc3)c2c(=O)[nH]1	ZINC000036206111	554201510	/nfs/dbraw/zinc/20/15/10/554201510.db2.gz	RRQWZNOXHJILBG-HXUWFJFHSA-N	0	0	521.083	3.225	50	0		KGAARN
CC(C)OC[C@@H](O)CN(CCN1CCOCC1)Cc1nc2scc(-c3ccc(Cl)cc3)c2c(=O)[nH]1	ZINC000036206114	554201468	/nfs/dbraw/zinc/20/14/68/554201468.db2.gz	RRQWZNOXHJILBG-FQEVSTJZSA-N	0	0	521.083	3.225	50	0		KGAARN
Cc1ccc(-c2csc3[nH]c(CN(CCN4CCOCC4)C[C@H](O)COC(C)C)nc(=O)c23)c(C)c1	ZINC000036206435	554201515	/nfs/dbraw/zinc/20/15/15/554201515.db2.gz	HMSMKZNJSDSAPG-NRFANRHFSA-N	0	0	514.692	3.189	50	0		KGAARN
Cc1ccc(-c2csc3[nH]c(CN(CCN4CCOCC4)C[C@@H](O)COC(C)C)nc(=O)c23)c(C)c1	ZINC000036206436	554201585	/nfs/dbraw/zinc/20/15/85/554201585.db2.gz	HMSMKZNJSDSAPG-OAQYLSRUSA-N	0	0	514.692	3.189	50	0		KGAARN
CCCC(=O)OC[C@H](O)CN(Cc1ccccc1)Cc1nc(=O)c2c(C)c(C(=O)OCC)sc2[nH]1	ZINC000036206650	554202174	/nfs/dbraw/zinc/20/21/74/554202174.db2.gz	OIXUSRBSTJTRLF-GOSISDBHSA-N	0	0	501.605	3.176	50	0		KGAARN
CCCC(=O)OC[C@@H](O)CN(Cc1ccccc1)Cc1nc(=O)c2c(C)c(C(=O)OCC)sc2[nH]1	ZINC000036206651	554202138	/nfs/dbraw/zinc/20/21/38/554202138.db2.gz	OIXUSRBSTJTRLF-SFHVURJKSA-N	0	0	501.605	3.176	50	0		KGAARN
CCOC(=O)c1sc2nc(CN(Cc3ccco3)C[C@H](O)COCc3ccco3)[nH]c(=O)c2c1C	ZINC000036207194	554202052	/nfs/dbraw/zinc/20/20/52/554202052.db2.gz	LXWCGXIHYXLTBO-INIZCTEOSA-N	0	0	501.561	3.236	50	0		KGAARN
CCOC(=O)c1sc2nc(CN(Cc3ccco3)C[C@@H](O)COCc3ccco3)[nH]c(=O)c2c1C	ZINC000036207195	554202255	/nfs/dbraw/zinc/20/22/55/554202255.db2.gz	LXWCGXIHYXLTBO-MRXNPFEDSA-N	0	0	501.561	3.236	50	0		KGAARN
COc1ccc(C(=O)N[C@H](C(=O)N2CCCCC2)C2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)cc1	ZINC000036210142	554203025	/nfs/dbraw/zinc/20/30/25/554203025.db2.gz	MKAAGOYVQLHZDQ-VWLOTQADSA-N	0	0	507.587	3.087	50	0		KGAARN
COc1ccc(C(=O)N[C@@H](C(=O)N2CCCCC2)C2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)cc1	ZINC000036210143	554203326	/nfs/dbraw/zinc/20/33/26/554203326.db2.gz	MKAAGOYVQLHZDQ-RUZDIDTESA-N	0	0	507.587	3.087	50	0		KGAARN
COCCNC(=O)[C@H](NC(=O)c1ccc(OC)cc1)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1	ZINC000036210222	554203390	/nfs/dbraw/zinc/20/33/90/554203390.db2.gz	VCIMZIGZTGAUKE-JOCHJYFZSA-N	0	0	521.536	3.127	50	0		KGAARN
COCCNC(=O)[C@@H](NC(=O)c1ccc(OC)cc1)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1	ZINC000036210223	554203339	/nfs/dbraw/zinc/20/33/39/554203339.db2.gz	VCIMZIGZTGAUKE-QFIPXVFZSA-N	0	0	521.536	3.127	50	0		KGAARN
COCCCNC(=O)[C@H](NC(=O)c1ccc(OC)cc1)C1CCN(C(=O)c2ccc(Cl)cc2)CC1	ZINC000036210436	554203399	/nfs/dbraw/zinc/20/33/99/554203399.db2.gz	ASCSMXWXWUWMMO-HSZRJFAPSA-N	0	0	502.011	3.152	50	0		KGAARN
COCCCNC(=O)[C@@H](NC(=O)c1ccc(OC)cc1)C1CCN(C(=O)c2ccc(Cl)cc2)CC1	ZINC000036210437	554203370	/nfs/dbraw/zinc/20/33/70/554203370.db2.gz	ASCSMXWXWUWMMO-QHCPKHFHSA-N	0	0	502.011	3.152	50	0		KGAARN
COc1ccc(C(=O)N[C@@H](C(=O)N[C@H](C)C(C)C)C2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)cc1	ZINC000036210568	554203709	/nfs/dbraw/zinc/20/37/09/554203709.db2.gz	TVYOOAYJIWCSIP-IQGLISFBSA-N	0	0	509.603	3.235	50	0		KGAARN
COc1ccc(C(=O)N[C@@H](C(=O)N[C@@H](C)C(C)C)C2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)cc1	ZINC000036210569	554203739	/nfs/dbraw/zinc/20/37/39/554203739.db2.gz	TVYOOAYJIWCSIP-AVRWGWEMSA-N	0	0	509.603	3.235	50	0		KGAARN
COc1ccc(C(=O)N[C@H](C(=O)N[C@H](C)C(C)C)C2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)cc1	ZINC000036210570	554203723	/nfs/dbraw/zinc/20/37/23/554203723.db2.gz	TVYOOAYJIWCSIP-CJAUYULYSA-N	0	0	509.603	3.235	50	0		KGAARN
COc1ccc(C(=O)N[C@H](C(=O)N[C@@H](C)C(C)C)C2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)cc1	ZINC000036210571	554203777	/nfs/dbraw/zinc/20/37/77/554203777.db2.gz	TVYOOAYJIWCSIP-BVZFJXPGSA-N	0	0	509.603	3.235	50	0		KGAARN
COc1cccc(C(=O)N[C@H](C(=O)NCc2ccco2)C2CCN(C(=O)c3cccc(OC)c3)CC2)c1	ZINC000036211067	554203741	/nfs/dbraw/zinc/20/37/41/554203741.db2.gz	AQCPCBUNTSCWNL-VWLOTQADSA-N	0	0	505.571	3.264	50	0		KGAARN
COc1cccc(C(=O)N[C@@H](C(=O)NCc2ccco2)C2CCN(C(=O)c3cccc(OC)c3)CC2)c1	ZINC000036211068	554203754	/nfs/dbraw/zinc/20/37/54/554203754.db2.gz	AQCPCBUNTSCWNL-RUZDIDTESA-N	0	0	505.571	3.264	50	0		KGAARN
COc1cccc(C(=O)N[C@H](C(=O)NCc2ccco2)C2CCN(C(=O)c3ccccc3OC)CC2)c1	ZINC000036211069	554203757	/nfs/dbraw/zinc/20/37/57/554203757.db2.gz	KUAKNYSTLJDFQT-VWLOTQADSA-N	0	0	505.571	3.264	50	0		KGAARN
COc1cccc(C(=O)N[C@@H](C(=O)NCc2ccco2)C2CCN(C(=O)c3ccccc3OC)CC2)c1	ZINC000036211070	554203700	/nfs/dbraw/zinc/20/37/00/554203700.db2.gz	KUAKNYSTLJDFQT-RUZDIDTESA-N	0	0	505.571	3.264	50	0		KGAARN
O=C(CCc1ccccc1)N1CCC([C@H](NC(=O)c2ccc3c(c2)OCO3)C(=O)N2CCCCC2)CC1	ZINC000036211297	554203760	/nfs/dbraw/zinc/20/37/60/554203760.db2.gz	RCDZDEHYKBXUOP-MHZLTWQESA-N	0	0	505.615	3.398	50	0		KGAARN
O=C(CCc1ccccc1)N1CCC([C@@H](NC(=O)c2ccc3c(c2)OCO3)C(=O)N2CCCCC2)CC1	ZINC000036211298	554203767	/nfs/dbraw/zinc/20/37/67/554203767.db2.gz	RCDZDEHYKBXUOP-HHHXNRCGSA-N	0	0	505.615	3.398	50	0		KGAARN
COc1ccc(C(=O)N2CCC([C@H](NC(=O)c3ccc4c(c3)OCO4)C(=O)N3CCCCC3)CC2)cc1	ZINC000036211303	554203687	/nfs/dbraw/zinc/20/36/87/554203687.db2.gz	ZOKWCZOARZWOAI-VWLOTQADSA-N	0	0	507.587	3.087	50	0		KGAARN
COc1ccc(C(=O)N2CCC([C@@H](NC(=O)c3ccc4c(c3)OCO4)C(=O)N3CCCCC3)CC2)cc1	ZINC000036211304	554203773	/nfs/dbraw/zinc/20/37/73/554203773.db2.gz	ZOKWCZOARZWOAI-RUZDIDTESA-N	0	0	507.587	3.087	50	0		KGAARN
COc1cccc(C(=O)N2CCC([C@H](NC(=O)c3ccc4c(c3)OCO4)C(=O)N3CCCCC3)CC2)c1	ZINC000036211327	554203695	/nfs/dbraw/zinc/20/36/95/554203695.db2.gz	UYAVPWUTDONNST-VWLOTQADSA-N	0	0	507.587	3.087	50	0		KGAARN
COc1cccc(C(=O)N2CCC([C@@H](NC(=O)c3ccc4c(c3)OCO4)C(=O)N3CCCCC3)CC2)c1	ZINC000036211328	554203771	/nfs/dbraw/zinc/20/37/71/554203771.db2.gz	UYAVPWUTDONNST-RUZDIDTESA-N	0	0	507.587	3.087	50	0		KGAARN
COCCNC(=O)[C@@H](NC(=O)c1cccc(C)c1)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1	ZINC000036211840	554203972	/nfs/dbraw/zinc/20/39/72/554203972.db2.gz	KAVUJHGXZGDMGL-QFIPXVFZSA-N	0	0	505.537	3.427	50	0		KGAARN
COCCNC(=O)[C@H](NC(=O)c1cccc(C)c1)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1	ZINC000036211842	554204301	/nfs/dbraw/zinc/20/43/01/554204301.db2.gz	KAVUJHGXZGDMGL-JOCHJYFZSA-N	0	0	505.537	3.427	50	0		KGAARN
Cc1cccc(C(=O)N[C@H](C(=O)NCc2ccco2)C2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)c1	ZINC000036211921	554204336	/nfs/dbraw/zinc/20/43/36/554204336.db2.gz	ANAPDLDESDPIED-VWLOTQADSA-N	0	0	503.555	3.284	50	0		KGAARN
Cc1cccc(C(=O)N[C@@H](C(=O)NCc2ccco2)C2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)c1	ZINC000036211923	554204372	/nfs/dbraw/zinc/20/43/72/554204372.db2.gz	ANAPDLDESDPIED-RUZDIDTESA-N	0	0	503.555	3.284	50	0		KGAARN
Cc1cccc(C(=O)N[C@H](C(=O)N2CCOCC2)C2CCN(C(=O)c3cccc(Br)c3)CC2)c1	ZINC000036212238	554204349	/nfs/dbraw/zinc/20/43/49/554204349.db2.gz	YCEYZMOOKMZMGR-QHCPKHFHSA-N	0	0	528.447	3.267	50	0		KGAARN
Cc1cccc(C(=O)N[C@@H](C(=O)N2CCOCC2)C2CCN(C(=O)c3cccc(Br)c3)CC2)c1	ZINC000036212239	554204333	/nfs/dbraw/zinc/20/43/33/554204333.db2.gz	YCEYZMOOKMZMGR-HSZRJFAPSA-N	0	0	528.447	3.267	50	0		KGAARN
Cc1ccc(C(=O)N[C@H](C(=O)NCc2ccco2)C2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)cc1	ZINC000036213054	554204666	/nfs/dbraw/zinc/20/46/66/554204666.db2.gz	SAPFMCUSLWJZOQ-VWLOTQADSA-N	0	0	503.555	3.284	50	0		KGAARN
Cc1ccc(C(=O)N[C@@H](C(=O)NCc2ccco2)C2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)cc1	ZINC000036213056	554204589	/nfs/dbraw/zinc/20/45/89/554204589.db2.gz	SAPFMCUSLWJZOQ-RUZDIDTESA-N	0	0	503.555	3.284	50	0		KGAARN
COCCNC(=O)[C@H](NC(=O)c1ccc(OC)cc1)C1CCN(C(=O)Nc2cccc(Cl)c2)CC1	ZINC000036214087	554204847	/nfs/dbraw/zinc/20/48/47/554204847.db2.gz	RDENYEPBZMMCPA-JOCHJYFZSA-N	0	0	502.999	3.154	50	0		KGAARN
COCCNC(=O)[C@@H](NC(=O)c1ccc(OC)cc1)C1CCN(C(=O)Nc2cccc(Cl)c2)CC1	ZINC000036214089	554204803	/nfs/dbraw/zinc/20/48/03/554204803.db2.gz	RDENYEPBZMMCPA-QFIPXVFZSA-N	0	0	502.999	3.154	50	0		KGAARN
COCCCNC(=O)[C@@H](NC(=O)c1ccccc1C)C1CCN(C(=S)Nc2ccc(F)cc2)CC1	ZINC000036214478	554205222	/nfs/dbraw/zinc/20/52/22/554205222.db2.gz	FIOGOVVUBWYBHA-QHCPKHFHSA-N	0	0	500.640	3.494	50	0		KGAARN
COCCCNC(=O)[C@H](NC(=O)c1ccccc1C)C1CCN(C(=S)Nc2ccc(F)cc2)CC1	ZINC000036214480	554205087	/nfs/dbraw/zinc/20/50/87/554205087.db2.gz	FIOGOVVUBWYBHA-HSZRJFAPSA-N	0	0	500.640	3.494	50	0		KGAARN
CCCNC(=O)[C@H](NC(=O)c1ccc2c(c1)OCO2)C1CCN(C(=S)Nc2ccc(F)cc2)CC1	ZINC000036214566	554205112	/nfs/dbraw/zinc/20/51/12/554205112.db2.gz	HLDRTOVJJFZDJX-JOCHJYFZSA-N	0	0	500.596	3.288	50	0		KGAARN
CCCNC(=O)[C@@H](NC(=O)c1ccc2c(c1)OCO2)C1CCN(C(=S)Nc2ccc(F)cc2)CC1	ZINC000036214568	554205157	/nfs/dbraw/zinc/20/51/57/554205157.db2.gz	HLDRTOVJJFZDJX-QFIPXVFZSA-N	0	0	500.596	3.288	50	0		KGAARN
O=C(N[C@H](C(=O)N1CCCC1)C1CCN(C(=S)Nc2ccc(F)cc2)CC1)c1ccc2c(c1)OCO2	ZINC000036214573	554205168	/nfs/dbraw/zinc/20/51/68/554205168.db2.gz	DCQBHJBSLWHMMD-QHCPKHFHSA-N	0	0	512.607	3.384	50	0		KGAARN
O=C(N[C@@H](C(=O)N1CCCC1)C1CCN(C(=S)Nc2ccc(F)cc2)CC1)c1ccc2c(c1)OCO2	ZINC000036214575	554205121	/nfs/dbraw/zinc/20/51/21/554205121.db2.gz	DCQBHJBSLWHMMD-HSZRJFAPSA-N	0	0	512.607	3.384	50	0		KGAARN
COc1ccc(S(=O)(=O)N2CCC([C@H](NC(=O)c3ccccc3)C(=O)NCc3ccccc3)CC2)cc1	ZINC000036214693	554205514	/nfs/dbraw/zinc/20/55/14/554205514.db2.gz	LHXNRLVGRZQUKU-SANMLTNESA-N	0	0	521.639	3.211	50	0		KGAARN
COc1ccc(S(=O)(=O)N2CCC([C@@H](NC(=O)c3ccccc3)C(=O)NCc3ccccc3)CC2)cc1	ZINC000036214695	554205505	/nfs/dbraw/zinc/20/55/05/554205505.db2.gz	LHXNRLVGRZQUKU-AREMUKBSSA-N	0	0	521.639	3.211	50	0		KGAARN
COc1ccc(S(=O)(=O)N2CCC([C@@H](NC(=O)c3cccs3)C(=O)N[C@H](C)C(C)C)CC2)cc1	ZINC000036214797	554205462	/nfs/dbraw/zinc/20/54/62/554205462.db2.gz	WFBGQZWGXOMQTD-VGOFRKELSA-N	0	0	507.678	3.117	50	0		KGAARN
COc1ccc(S(=O)(=O)N2CCC([C@@H](NC(=O)c3cccs3)C(=O)N[C@@H](C)C(C)C)CC2)cc1	ZINC000036214799	554205428	/nfs/dbraw/zinc/20/54/28/554205428.db2.gz	WFBGQZWGXOMQTD-HTAPYJJXSA-N	0	0	507.678	3.117	50	0		KGAARN
COc1ccc(S(=O)(=O)N2CCC([C@H](NC(=O)c3cccs3)C(=O)N[C@H](C)C(C)C)CC2)cc1	ZINC000036214800	554205520	/nfs/dbraw/zinc/20/55/20/554205520.db2.gz	WFBGQZWGXOMQTD-VGSWGCGISA-N	0	0	507.678	3.117	50	0		KGAARN
COc1ccc(S(=O)(=O)N2CCC([C@H](NC(=O)c3cccs3)C(=O)N[C@@H](C)C(C)C)CC2)cc1	ZINC000036214801	554205497	/nfs/dbraw/zinc/20/54/97/554205497.db2.gz	WFBGQZWGXOMQTD-JTSKRJEESA-N	0	0	507.678	3.117	50	0		KGAARN
COc1ccc(C(=O)N[C@H](C(=O)N2CCCCC2)C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1	ZINC000036214819	554205492	/nfs/dbraw/zinc/20/54/92/554205492.db2.gz	KITDQTVULMTTTA-VWLOTQADSA-N	0	0	513.660	3.215	50	0		KGAARN
COc1ccc(C(=O)N[C@@H](C(=O)N2CCCCC2)C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1	ZINC000036214821	554205460	/nfs/dbraw/zinc/20/54/60/554205460.db2.gz	KITDQTVULMTTTA-RUZDIDTESA-N	0	0	513.660	3.215	50	0		KGAARN
CCN(CC)C(=O)[C@H](NC(=O)c1ccc(OC)cc1)C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1	ZINC000036214822	554205502	/nfs/dbraw/zinc/20/55/02/554205502.db2.gz	DYEMUPXBPIBHBK-XMMPIXPASA-N	0	0	501.649	3.071	50	0		KGAARN
CCN(CC)C(=O)[C@@H](NC(=O)c1ccc(OC)cc1)C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1	ZINC000036214823	554205451	/nfs/dbraw/zinc/20/54/51/554205451.db2.gz	DYEMUPXBPIBHBK-DEOSSOPVSA-N	0	0	501.649	3.071	50	0		KGAARN
COc1ccc(C(=O)N[C@@H](C(=O)NCC(C)C)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1	ZINC000036214828	554205633	/nfs/dbraw/zinc/20/56/33/554205633.db2.gz	MZZGYFDIKHUWCW-HSZRJFAPSA-N	0	0	522.067	3.320	50	0		KGAARN
COc1ccc(C(=O)N[C@H](C(=O)NCC(C)C)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1	ZINC000036214830	554205653	/nfs/dbraw/zinc/20/56/53/554205653.db2.gz	MZZGYFDIKHUWCW-QHCPKHFHSA-N	0	0	522.067	3.320	50	0		KGAARN
COCCCNC(=O)[C@@H](NC(=O)c1ccccc1C)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1	ZINC000036214868	554205643	/nfs/dbraw/zinc/20/56/43/554205643.db2.gz	QHMDKVZJSDMKKO-QHCPKHFHSA-N	0	0	522.067	3.000	50	0		KGAARN
COCCCNC(=O)[C@H](NC(=O)c1ccccc1C)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1	ZINC000036214870	554205626	/nfs/dbraw/zinc/20/56/26/554205626.db2.gz	QHMDKVZJSDMKKO-HSZRJFAPSA-N	0	0	522.067	3.000	50	0		KGAARN
Cc1ccccc1C(=O)N[C@H](C(=O)N1CCCC1)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1	ZINC000036214883	554205699	/nfs/dbraw/zinc/20/56/99/554205699.db2.gz	BUMPYYJDYKLZHM-QHCPKHFHSA-N	0	0	504.052	3.470	50	0		KGAARN
Cc1ccccc1C(=O)N[C@@H](C(=O)N1CCCC1)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1	ZINC000036214884	554205650	/nfs/dbraw/zinc/20/56/50/554205650.db2.gz	BUMPYYJDYKLZHM-HSZRJFAPSA-N	0	0	504.052	3.470	50	0		KGAARN
COc1cccc(C(=O)N[C@H](C(=O)N2CCCCC2)C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)c1	ZINC000036214894	554205600	/nfs/dbraw/zinc/20/56/00/554205600.db2.gz	OLAYRJPDWZQNKT-VWLOTQADSA-N	0	0	513.660	3.215	50	0		KGAARN
COc1cccc(C(=O)N[C@@H](C(=O)N2CCCCC2)C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)c1	ZINC000036214895	554205638	/nfs/dbraw/zinc/20/56/38/554205638.db2.gz	OLAYRJPDWZQNKT-RUZDIDTESA-N	0	0	513.660	3.215	50	0		KGAARN
COc1cccc(C(=O)N[C@H](C(=O)NCc2ccco2)C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)c1	ZINC000036214914	554205965	/nfs/dbraw/zinc/20/59/65/554205965.db2.gz	XHRDATAYFGVUMK-VWLOTQADSA-N	0	0	525.627	3.112	50	0		KGAARN
COc1cccc(C(=O)N[C@@H](C(=O)NCc2ccco2)C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)c1	ZINC000036214916	554205972	/nfs/dbraw/zinc/20/59/72/554205972.db2.gz	XHRDATAYFGVUMK-RUZDIDTESA-N	0	0	525.627	3.112	50	0		KGAARN
CC[C@@H](C)NC(=O)[C@H](NC(=O)c1cccc(OC)c1)C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1	ZINC000036214918	554205932	/nfs/dbraw/zinc/20/59/32/554205932.db2.gz	YZRBSRZFQFYTHJ-NTKDMRAZSA-N	0	0	501.649	3.118	50	0		KGAARN
CC[C@H](C)NC(=O)[C@H](NC(=O)c1cccc(OC)c1)C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1	ZINC000036214919	554206014	/nfs/dbraw/zinc/20/60/14/554206014.db2.gz	YZRBSRZFQFYTHJ-YADARESESA-N	0	0	501.649	3.118	50	0		KGAARN
CC[C@@H](C)NC(=O)[C@@H](NC(=O)c1cccc(OC)c1)C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1	ZINC000036214921	554206005	/nfs/dbraw/zinc/20/60/05/554206005.db2.gz	YZRBSRZFQFYTHJ-DVECYGJZSA-N	0	0	501.649	3.118	50	0		KGAARN
CC[C@H](C)NC(=O)[C@@H](NC(=O)c1cccc(OC)c1)C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1	ZINC000036214923	554205988	/nfs/dbraw/zinc/20/59/88/554205988.db2.gz	YZRBSRZFQFYTHJ-CYFREDJKSA-N	0	0	501.649	3.118	50	0		KGAARN
COc1cccc(C(=O)N[C@H](C(=O)N2CCCC2)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c1	ZINC000036214925	554205968	/nfs/dbraw/zinc/20/59/68/554205968.db2.gz	GNZSVGICWHIRAA-QHCPKHFHSA-N	0	0	520.051	3.170	50	0		KGAARN
COc1cccc(C(=O)N[C@@H](C(=O)N2CCCC2)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c1	ZINC000036214927	554206008	/nfs/dbraw/zinc/20/60/08/554206008.db2.gz	GNZSVGICWHIRAA-HSZRJFAPSA-N	0	0	520.051	3.170	50	0		KGAARN
CC[C@@H](C)NC(=O)[C@H](NC(=O)c1cccc(C)c1)C1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1	ZINC000036215013	554206279	/nfs/dbraw/zinc/20/62/79/554206279.db2.gz	HJGMHZILWYMUOH-NTKDMRAZSA-N	0	0	501.649	3.118	50	0		KGAARN
CC[C@H](C)NC(=O)[C@H](NC(=O)c1cccc(C)c1)C1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1	ZINC000036215015	554206200	/nfs/dbraw/zinc/20/62/00/554206200.db2.gz	HJGMHZILWYMUOH-YADARESESA-N	0	0	501.649	3.118	50	0		KGAARN
CC[C@@H](C)NC(=O)[C@@H](NC(=O)c1cccc(C)c1)C1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1	ZINC000036215016	554206276	/nfs/dbraw/zinc/20/62/76/554206276.db2.gz	HJGMHZILWYMUOH-DVECYGJZSA-N	0	0	501.649	3.118	50	0		KGAARN
CC[C@H](C)NC(=O)[C@@H](NC(=O)c1cccc(C)c1)C1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1	ZINC000036215017	554206315	/nfs/dbraw/zinc/20/63/15/554206315.db2.gz	HJGMHZILWYMUOH-CYFREDJKSA-N	0	0	501.649	3.118	50	0		KGAARN
COCCCNC(=O)[C@@H](NC(=O)c1cccc(C)c1)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1	ZINC000036215026	554206303	/nfs/dbraw/zinc/20/63/03/554206303.db2.gz	IHQGLRJYRUJOFV-QHCPKHFHSA-N	0	0	522.067	3.000	50	0		KGAARN
COCCCNC(=O)[C@H](NC(=O)c1cccc(C)c1)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1	ZINC000036215028	554206294	/nfs/dbraw/zinc/20/62/94/554206294.db2.gz	IHQGLRJYRUJOFV-HSZRJFAPSA-N	0	0	522.067	3.000	50	0		KGAARN
Cc1cccc(C(=O)N[C@H](C(=O)N2CCCC2)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c1	ZINC000036215054	554206187	/nfs/dbraw/zinc/20/61/87/554206187.db2.gz	LYPBFKZYAFJXTI-QHCPKHFHSA-N	0	0	504.052	3.470	50	0		KGAARN
Cc1cccc(C(=O)N[C@@H](C(=O)N2CCCC2)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c1	ZINC000036215056	554206284	/nfs/dbraw/zinc/20/62/84/554206284.db2.gz	LYPBFKZYAFJXTI-HSZRJFAPSA-N	0	0	504.052	3.470	50	0		KGAARN
O=C(Nc1ccc([C@@H]2OC(=O)N(Cc3ccccc3)[C@@H]2C(=O)NCCN2CCOCC2)cc1)c1ccco1	ZINC000036215755	554206781	/nfs/dbraw/zinc/20/67/81/554206781.db2.gz	IGWJIBDLGFVICB-DQEYMECFSA-N	0	0	518.570	3.042	50	0		KGAARN
O=C(Nc1ccc([C@@H]2OC(=O)N(Cc3ccccc3)[C@H]2C(=O)NCCN2CCOCC2)cc1)c1ccco1	ZINC000036215759	554206770	/nfs/dbraw/zinc/20/67/70/554206770.db2.gz	IGWJIBDLGFVICB-RPBOFIJWSA-N	0	0	518.570	3.042	50	0		KGAARN
O=C(Nc1ccc([C@H]2OC(=O)N(Cc3ccccc3)[C@@H]2C(=O)NCCN2CCOCC2)cc1)c1ccco1	ZINC000036215761	554206679	/nfs/dbraw/zinc/20/66/79/554206679.db2.gz	IGWJIBDLGFVICB-LOSJGSFVSA-N	0	0	518.570	3.042	50	0		KGAARN
O=C(Nc1ccc([C@H]2OC(=O)N(Cc3ccccc3)[C@H]2C(=O)NCCN2CCOCC2)cc1)c1ccco1	ZINC000036215764	554206656	/nfs/dbraw/zinc/20/66/56/554206656.db2.gz	IGWJIBDLGFVICB-JWQCQUIFSA-N	0	0	518.570	3.042	50	0		KGAARN
O=C(Nc1cccc([C@@H]2OC(=O)N(Cc3ccccc3)[C@@H]2C(=O)NCCN2CCOCC2)c1)c1ccco1	ZINC000036218213	554207711	/nfs/dbraw/zinc/20/77/11/554207711.db2.gz	SQFPKUAEOYMWRX-DQEYMECFSA-N	0	0	518.570	3.042	50	0		KGAARN
O=C(Nc1cccc([C@@H]2OC(=O)N(Cc3ccccc3)[C@H]2C(=O)NCCN2CCOCC2)c1)c1ccco1	ZINC000036218215	554207689	/nfs/dbraw/zinc/20/76/89/554207689.db2.gz	SQFPKUAEOYMWRX-RPBOFIJWSA-N	0	0	518.570	3.042	50	0		KGAARN
O=C(Nc1cccc([C@H]2OC(=O)N(Cc3ccccc3)[C@@H]2C(=O)NCCN2CCOCC2)c1)c1ccco1	ZINC000036218217	554207782	/nfs/dbraw/zinc/20/77/82/554207782.db2.gz	SQFPKUAEOYMWRX-LOSJGSFVSA-N	0	0	518.570	3.042	50	0		KGAARN
O=C(Nc1cccc([C@H]2OC(=O)N(Cc3ccccc3)[C@H]2C(=O)NCCN2CCOCC2)c1)c1ccco1	ZINC000036218219	554207675	/nfs/dbraw/zinc/20/76/75/554207675.db2.gz	SQFPKUAEOYMWRX-JWQCQUIFSA-N	0	0	518.570	3.042	50	0		KGAARN
COc1ccc(NC(=O)CN2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)cc1Cl	ZINC000036227436	554209727	/nfs/dbraw/zinc/20/97/27/554209727.db2.gz	MJUZQRONJYLJTF-UHFFFAOYSA-N	0	0	502.818	3.056	50	0		KGAARN
O=C(CN1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1)Nc1ccccc1C(F)(F)F	ZINC000036227450	554209721	/nfs/dbraw/zinc/20/97/21/554209721.db2.gz	DPLXUEDERYFGCN-UHFFFAOYSA-N	0	0	506.344	3.413	50	0		KGAARN
O=C(CN1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1)Nc1cccc(C(F)(F)F)c1	ZINC000036227456	554209677	/nfs/dbraw/zinc/20/96/77/554209677.db2.gz	BRKGSVSTEYNKQT-UHFFFAOYSA-N	0	0	506.344	3.413	50	0		KGAARN
COc1ccc(CCNC(=O)[C@@H](C2CCCC2)N2CCN(C(=O)c3ccc(OC)c(OC)c3)CC2)cc1	ZINC000036255643	554210541	/nfs/dbraw/zinc/21/05/41/554210541.db2.gz	ZVHZZXUBTJPNQT-HHHXNRCGSA-N	0	0	509.647	3.388	50	0		KGAARN
COc1ccc(CCNC(=O)[C@H](C2CCCC2)N2CCN(C(=O)c3ccc(OC)c(OC)c3)CC2)cc1	ZINC000036255646	554210642	/nfs/dbraw/zinc/21/06/42/554210642.db2.gz	ZVHZZXUBTJPNQT-MHZLTWQESA-N	0	0	509.647	3.388	50	0		KGAARN
COc1ccccc1CCNC(=O)[C@@H](C1CCCC1)N1CCN(C(=O)c2ccc(OC)c(OC)c2)CC1	ZINC000036255742	554210979	/nfs/dbraw/zinc/21/09/79/554210979.db2.gz	GLJFPJQMKPLJNB-HHHXNRCGSA-N	0	0	509.647	3.388	50	0		KGAARN
COc1ccccc1CCNC(=O)[C@H](C1CCCC1)N1CCN(C(=O)c2ccc(OC)c(OC)c2)CC1	ZINC000036255743	554211051	/nfs/dbraw/zinc/21/10/51/554211051.db2.gz	GLJFPJQMKPLJNB-MHZLTWQESA-N	0	0	509.647	3.388	50	0		KGAARN
O=C(NCCCN1CCOCC1)[C@H](C1CCCC1)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1	ZINC000036256057	554211030	/nfs/dbraw/zinc/21/10/30/554211030.db2.gz	OARGYOWAOZZGNQ-QHCPKHFHSA-N	0	0	511.494	3.149	50	0		KGAARN
O=C(NCCCN1CCOCC1)[C@@H](C1CCCC1)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1	ZINC000036256060	554210878	/nfs/dbraw/zinc/21/08/78/554210878.db2.gz	OARGYOWAOZZGNQ-HSZRJFAPSA-N	0	0	511.494	3.149	50	0		KGAARN
O=C(NCCCN1CCOCC1)[C@H](C1CCCC1)N1CCN(C(=O)c2ccc(Cl)c(Cl)c2)CC1	ZINC000036256067	554210937	/nfs/dbraw/zinc/21/09/37/554210937.db2.gz	LNEFNBJNDTYLMQ-QHCPKHFHSA-N	0	0	511.494	3.149	50	0		KGAARN
O=C(NCCCN1CCOCC1)[C@@H](C1CCCC1)N1CCN(C(=O)c2ccc(Cl)c(Cl)c2)CC1	ZINC000036256070	554210953	/nfs/dbraw/zinc/21/09/53/554210953.db2.gz	LNEFNBJNDTYLMQ-HSZRJFAPSA-N	0	0	511.494	3.149	50	0		KGAARN
O=C(NCCCN1CCCC1=O)[C@H](C1CCCC1)N1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1	ZINC000036256359	554210858	/nfs/dbraw/zinc/21/08/58/554210858.db2.gz	AGBLEABHFQSOPL-QHCPKHFHSA-N	0	0	508.585	3.151	50	0		KGAARN
O=C(NCCCN1CCCC1=O)[C@@H](C1CCCC1)N1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1	ZINC000036256360	554210899	/nfs/dbraw/zinc/21/08/99/554210899.db2.gz	AGBLEABHFQSOPL-HSZRJFAPSA-N	0	0	508.585	3.151	50	0		KGAARN
O=C(NCCCN1CCCC1=O)[C@H](C1CCCC1)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1	ZINC000036256402	554210846	/nfs/dbraw/zinc/21/08/46/554210846.db2.gz	MREAWUBQQGUQSY-QHCPKHFHSA-N	0	0	509.478	3.439	50	0		KGAARN
O=C(NCCCN1CCCC1=O)[C@@H](C1CCCC1)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1	ZINC000036256403	554210853	/nfs/dbraw/zinc/21/08/53/554210853.db2.gz	MREAWUBQQGUQSY-HSZRJFAPSA-N	0	0	509.478	3.439	50	0		KGAARN
CCc1nn(-c2ccccc2)c(Oc2ccccc2OC)c1CN(CCOC)C[C@H](O)CN1CCOCC1	ZINC000036302740	554212879	/nfs/dbraw/zinc/21/28/79/554212879.db2.gz	ZMZNPIKTRWGSPJ-XMMPIXPASA-N	0	0	524.662	3.377	50	0		KGAARN
CCc1nn(-c2ccccc2)c(Oc2ccccc2OC)c1CN(CCOC)C[C@@H](O)CN1CCOCC1	ZINC000036302743	554212916	/nfs/dbraw/zinc/21/29/16/554212916.db2.gz	ZMZNPIKTRWGSPJ-DEOSSOPVSA-N	0	0	524.662	3.377	50	0		KGAARN
COCCN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1F)C[C@H](O)CN1CCOCC1	ZINC000036304059	554213790	/nfs/dbraw/zinc/21/37/90/554213790.db2.gz	JMXMYYWREXWKFJ-HSZRJFAPSA-N	0	0	516.589	3.393	50	0		KGAARN
COCCN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1F)C[C@@H](O)CN1CCOCC1	ZINC000036304062	554213905	/nfs/dbraw/zinc/21/39/05/554213905.db2.gz	JMXMYYWREXWKFJ-QHCPKHFHSA-N	0	0	516.589	3.393	50	0		KGAARN
COCCN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1OC)C[C@H](O)CN1CCOCC1	ZINC000036304379	554214413	/nfs/dbraw/zinc/21/44/13/554214413.db2.gz	XPPRETBAIGMWTD-XMMPIXPASA-N	0	0	510.635	3.123	50	0		KGAARN
COCCN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1OC)C[C@@H](O)CN1CCOCC1	ZINC000036304381	554214492	/nfs/dbraw/zinc/21/44/92/554214492.db2.gz	XPPRETBAIGMWTD-DEOSSOPVSA-N	0	0	510.635	3.123	50	0		KGAARN
CCN(C[C@@H]1COc2ccccc2O1)C(=O)c1ccc(Cl)c(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)c1	ZINC000036321658	554219900	/nfs/dbraw/zinc/21/99/00/554219900.db2.gz	JIEYYYGZLRFRIC-ZHALLVOQSA-N	0	0	509.024	3.440	50	0		KGAARN
CCC(=O)CCCCC[C@@H]1NC(=O)[C@H]2CCCCN2C(=O)[C@H]([C@H](C)CC)NC(=O)[C@H](Cc2cn(OC)c3ccccc23)NC1=O	ZINC000036338664	554219954	/nfs/dbraw/zinc/21/99/54/554219954.db2.gz	JWOGUUIOCYMBPV-VWIQTCEGSA-N	0	0	623.795	3.067	50	0	in-vitro	KGAARN
COCc1nc(-c2ccccc2)nc(N2CCN(C[C@H](O)CN3CCOCC3)CC2)c1Cc1ccc(C)cc1	ZINC000036340063	554219791	/nfs/dbraw/zinc/21/97/91/554219791.db2.gz	NSWDJXQTIFWVPL-MHZLTWQESA-N	0	0	531.701	3.004	50	0		KGAARN
COCc1nc(-c2ccccc2)nc(N2CCN(C[C@@H](O)CN3CCOCC3)CC2)c1Cc1ccc(C)cc1	ZINC000036340066	554219909	/nfs/dbraw/zinc/21/99/09/554219909.db2.gz	NSWDJXQTIFWVPL-HHHXNRCGSA-N	0	0	531.701	3.004	50	0		KGAARN
COc1ccc(C2=NN(C(=O)CN3CCC4(CC3)OCCO4)[C@H](c3cc(OC)ccc3OC)C2)c(OC)c1	ZINC000036342406	554221676	/nfs/dbraw/zinc/22/16/76/554221676.db2.gz	XNBZSWOPJXLONQ-DEOSSOPVSA-N	0	0	525.602	3.238	50	0		KGAARN
COc1ccc(C2=NN(C(=O)CN3CCC4(CC3)OCCO4)[C@@H](c3cc(OC)ccc3OC)C2)c(OC)c1	ZINC000036342407	554221488	/nfs/dbraw/zinc/22/14/88/554221488.db2.gz	XNBZSWOPJXLONQ-XMMPIXPASA-N	0	0	525.602	3.238	50	0		KGAARN
COc1ccc([C@@H]2CC(c3ccc(OC)c(OC)c3)=NN2C(=O)CN2CCC3(CC2)OCCO3)c(OC)c1	ZINC000036342484	554221708	/nfs/dbraw/zinc/22/17/08/554221708.db2.gz	YABFEUPLKYFISX-QHCPKHFHSA-N	0	0	525.602	3.238	50	0		KGAARN
COc1ccc([C@H]2CC(c3ccc(OC)c(OC)c3)=NN2C(=O)CN2CCC3(CC2)OCCO3)c(OC)c1	ZINC000036342485	554221719	/nfs/dbraw/zinc/22/17/19/554221719.db2.gz	YABFEUPLKYFISX-HSZRJFAPSA-N	0	0	525.602	3.238	50	0		KGAARN
CC(C)C(=O)Nc1ccc2c(c1)[nH]cc2[C@@H](C(=O)[O-])[NH+]1CCN(c2ncc(Br)cn2)CC1	ZINC000036357885	554224040	/nfs/dbraw/zinc/22/40/40/554224040.db2.gz	HKSDDMVENVVCER-IBGZPJMESA-N	0	0	501.385	3.263	50	0		KGAARN
CC(C)C(=O)Nc1ccc2c(c1)[nH]cc2[C@H](C(=O)[O-])[NH+]1CCN(c2ncc(Br)cn2)CC1	ZINC000036357886	554223938	/nfs/dbraw/zinc/22/39/38/554223938.db2.gz	HKSDDMVENVVCER-LJQANCHMSA-N	0	0	501.385	3.263	50	0		KGAARN
CC(C)C(=O)Nc1ccc2[nH]cc([C@@H](C(=O)[O-])[NH+]3CCN(c4ncc(Br)cn4)CC3)c2c1	ZINC000036360633	554224013	/nfs/dbraw/zinc/22/40/13/554224013.db2.gz	YJGUUHVVFWNFOB-IBGZPJMESA-N	0	0	501.385	3.263	50	0		KGAARN
CC(C)C(=O)Nc1ccc2[nH]cc([C@H](C(=O)[O-])[NH+]3CCN(c4ncc(Br)cn4)CC3)c2c1	ZINC000036360634	554224005	/nfs/dbraw/zinc/22/40/05/554224005.db2.gz	YJGUUHVVFWNFOB-LJQANCHMSA-N	0	0	501.385	3.263	50	0		KGAARN
CC1(C)O[C@@H]2C[C@@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@H](O)C[C@]3(C)[C@]2(C(=O)COC(=O)C2CC2)O1	ZINC000036371104	554224310	/nfs/dbraw/zinc/22/43/10/554224310.db2.gz	TZBDXWBBMOEVPI-OFCBMZJJSA-N	0	0	520.569	3.328	50	0		KGAARN
Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)[C@@H](Cc3ccccc3)NC(=O)c3ccccc3)CC2)c1	ZINC000036390551	554224715	/nfs/dbraw/zinc/22/47/15/554224715.db2.gz	UQRDMTBGBXZLSS-RUZDIDTESA-N	0	0	505.640	3.178	50	0		KGAARN
Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)[C@H](Cc3ccccc3)NC(=O)c3ccccc3)CC2)c1	ZINC000036390552	554224681	/nfs/dbraw/zinc/22/46/81/554224681.db2.gz	UQRDMTBGBXZLSS-VWLOTQADSA-N	0	0	505.640	3.178	50	0		KGAARN
O=C(Nc1nccs1)[C@@H](Cc1ccccc1)NC(=O)N1CCN(C(=O)c2c[nH]c3ccccc23)CC1	ZINC000036569419	554225587	/nfs/dbraw/zinc/22/55/87/554225587.db2.gz	OALKABJCVDUUCZ-JOCHJYFZSA-N	0	0	502.600	3.342	50	0		KGAARN
COc1c2c(cc3c1[C@@H](c1nnnn1-c1cccc(C(=O)N[C@H](C)c4ccccc4)c1)N(C)CC3)OCO2	ZINC000037133175	554230687	/nfs/dbraw/zinc/23/06/87/554230687.db2.gz	UCVCSFZQHHAURG-OSPHWJPCSA-N	0	0	512.570	3.468	50	0	biogenic	KGAARN
COc1c2c(cc3c1[C@H](c1nnnn1-c1cccc(C(=O)N[C@H](C)c4ccccc4)c1)N(C)CC3)OCO2	ZINC000037133176	554230712	/nfs/dbraw/zinc/23/07/12/554230712.db2.gz	UCVCSFZQHHAURG-MZNJEOGPSA-N	0	0	512.570	3.468	50	0	biogenic	KGAARN
COc1ccc(OC)c([C@@H]2SCC(=O)N(CC(=O)N3CCOCC3)c3c2c(-c2ccccc2)nn3C)c1	ZINC000037263976	554231505	/nfs/dbraw/zinc/23/15/05/554231505.db2.gz	IOSJOACVVFJHHV-SANMLTNESA-N	0	0	522.627	3.132	50	0		KGAARN
COc1ccc(OC)c([C@H]2SCC(=O)N(CC(=O)N3CCOCC3)c3c2c(-c2ccccc2)nn3C)c1	ZINC000037263977	554231496	/nfs/dbraw/zinc/23/14/96/554231496.db2.gz	IOSJOACVVFJHHV-AREMUKBSSA-N	0	0	522.627	3.132	50	0		KGAARN
COCCNC(=O)CN1c2c(c(-c3ccccc3)nn2C)[C@H](c2cc(OC)ccc2OC)SCC1=O	ZINC000037263978	554231551	/nfs/dbraw/zinc/23/15/51/554231551.db2.gz	RAJPSBXSQGMGIN-VWLOTQADSA-N	0	0	510.616	3.036	50	0		KGAARN
COCCNC(=O)CN1c2c(c(-c3ccccc3)nn2C)[C@@H](c2cc(OC)ccc2OC)SCC1=O	ZINC000037263979	554231451	/nfs/dbraw/zinc/23/14/51/554231451.db2.gz	RAJPSBXSQGMGIN-RUZDIDTESA-N	0	0	510.616	3.036	50	0		KGAARN
COc1ccc(-c2nc(NCCN3CCOCC3)nc3nn(-c4ccc(Cl)cc4)c(N)c32)cc1OC	ZINC000037358510	554234596	/nfs/dbraw/zinc/23/45/96/554234596.db2.gz	OTZBMISOYJFVKU-UHFFFAOYSA-N	0	0	509.998	3.479	50	0		KGAARN
Nc1c2c(nn1-c1cccc(F)c1)nc(N1CCN(C(=O)[C@@H]3CCCO3)CC1)nc2-c1ccccc1F	ZINC000037359399	554235092	/nfs/dbraw/zinc/23/50/92/554235092.db2.gz	ZERVOVQIRKVLEC-FQEVSTJZSA-N	0	0	505.529	3.171	50	0		KGAARN
Nc1c2c(nn1-c1cccc(F)c1)nc(N1CCN(C(=O)[C@H]3CCCO3)CC1)nc2-c1ccccc1F	ZINC000037359403	554235073	/nfs/dbraw/zinc/23/50/73/554235073.db2.gz	ZERVOVQIRKVLEC-HXUWFJFHSA-N	0	0	505.529	3.171	50	0		KGAARN
Nc1c2c(nn1-c1cccc(F)c1)nc(N1CCN(C(=O)[C@@H]3CCCO3)CC1)nc2-c1cccc(F)c1	ZINC000037361184	554234994	/nfs/dbraw/zinc/23/49/94/554234994.db2.gz	AAJVIZJATRMOHD-FQEVSTJZSA-N	0	0	505.529	3.171	50	0		KGAARN
Nc1c2c(nn1-c1cccc(F)c1)nc(N1CCN(C(=O)[C@H]3CCCO3)CC1)nc2-c1cccc(F)c1	ZINC000037361187	554235086	/nfs/dbraw/zinc/23/50/86/554235086.db2.gz	AAJVIZJATRMOHD-HXUWFJFHSA-N	0	0	505.529	3.171	50	0		KGAARN
Nc1c2c(nn1-c1cc(F)ccc1F)nc(N1CCN(C(=O)[C@@H]3CCCO3)CC1)nc2-c1cccc(F)c1	ZINC000037376365	554235339	/nfs/dbraw/zinc/23/53/39/554235339.db2.gz	HVHVTIQAIMSSSF-FQEVSTJZSA-N	0	0	523.519	3.310	50	0		KGAARN
Nc1c2c(nn1-c1cc(F)ccc1F)nc(N1CCN(C(=O)[C@H]3CCCO3)CC1)nc2-c1cccc(F)c1	ZINC000037376369	554235454	/nfs/dbraw/zinc/23/54/54/554235454.db2.gz	HVHVTIQAIMSSSF-HXUWFJFHSA-N	0	0	523.519	3.310	50	0		KGAARN
COc1ccc(-c2nc3ccccc3c(N(CCCN3CCOCC3)CCC(=O)N3CCOCC3)n2)cc1	ZINC000037383426	554238291	/nfs/dbraw/zinc/23/82/91/554238291.db2.gz	ZQGGYUBJYXWTFQ-UHFFFAOYSA-N	0	0	519.646	3.083	50	0		KGAARN
CCN1CCN(C(=O)CCN(CCCN2CCOCC2)c2nc(-c3cccs3)nc3ccccc32)CC1	ZINC000037384666	554238825	/nfs/dbraw/zinc/23/88/25/554238825.db2.gz	AQWCUAGUURATOX-UHFFFAOYSA-N	0	0	522.719	3.441	50	0		KGAARN
CCNC(=O)N(Cc1ccc(OC)c(OS(=O)(=O)c2ccc(NC(C)=O)cc2)c1)C[C@@H]1CCCO1	ZINC000037400796	554242039	/nfs/dbraw/zinc/24/20/39/554242039.db2.gz	CBGCNGYGKQVNQV-FQEVSTJZSA-N	0	0	505.593	3.132	50	0		KGAARN
CCNC(=O)N(Cc1ccc(OC)c(OS(=O)(=O)c2ccc(NC(C)=O)cc2)c1)C[C@H]1CCCO1	ZINC000037400798	554241995	/nfs/dbraw/zinc/24/19/95/554241995.db2.gz	CBGCNGYGKQVNQV-HXUWFJFHSA-N	0	0	505.593	3.132	50	0		KGAARN
COCC(=O)N(Cc1ccco1)Cc1ccc(OC)c(OS(=O)(=O)c2ccc(NC(C)=O)cc2)c1	ZINC000037401250	554242146	/nfs/dbraw/zinc/24/21/46/554242146.db2.gz	IFOHYXMYEINCCB-UHFFFAOYSA-N	0	0	502.545	3.190	50	0		KGAARN
COCCN(Cc1ccc(OC)c(OS(=O)(=O)c2ccc(NC(C)=O)cc2)c1)C(=O)c1ccco1	ZINC000037401443	554242254	/nfs/dbraw/zinc/24/22/54/554242254.db2.gz	VEYKRUBDXRCCHD-UHFFFAOYSA-N	0	0	502.545	3.303	50	0		KGAARN
O=C(NC[C@@H]1CCCO1)[C@]1(OCc2cccc(C(F)(F)F)c2)C[C@@H](O)[C@@H](O)[C@H](OCc2ccccc2)C1	ZINC000037421670	554243145	/nfs/dbraw/zinc/24/31/45/554243145.db2.gz	AZSQZOSEYNRZRN-KMYZAFCHSA-N	0	0	523.548	3.357	50	0		KGAARN
O=C(NC[C@@H]1CCCO1)[C@]1(OCc2cccc(C(F)(F)F)c2)C[C@@H](O)[C@@H](O)[C@@H](OCc2ccccc2)C1	ZINC000037421672	554243155	/nfs/dbraw/zinc/24/31/55/554243155.db2.gz	AZSQZOSEYNRZRN-YBTKJZEMSA-N	0	0	523.548	3.357	50	0		KGAARN
O=C(NC[C@H]1CCCO1)[C@]1(OCc2cccc(C(F)(F)F)c2)C[C@@H](O)[C@@H](O)[C@H](OCc2ccccc2)C1	ZINC000037421674	554243153	/nfs/dbraw/zinc/24/31/53/554243153.db2.gz	AZSQZOSEYNRZRN-YLLXKFEGSA-N	0	0	523.548	3.357	50	0		KGAARN
O=C(NC[C@H]1CCCO1)[C@]1(OCc2cccc(C(F)(F)F)c2)C[C@@H](O)[C@@H](O)[C@@H](OCc2ccccc2)C1	ZINC000037421677	554243216	/nfs/dbraw/zinc/24/32/16/554243216.db2.gz	AZSQZOSEYNRZRN-XCVFGXLCSA-N	0	0	523.548	3.357	50	0		KGAARN
COCC(=O)N(Cc1cc(Cl)ccc1OS(=O)(=O)c1ccc(NC(C)=O)cc1)C[C@@H]1CCCO1	ZINC000037423717	554243681	/nfs/dbraw/zinc/24/36/81/554243681.db2.gz	XVPDFINFBITWRQ-FQEVSTJZSA-N	0	0	510.996	3.220	50	0		KGAARN
COCC(=O)N(Cc1cc(Cl)ccc1OS(=O)(=O)c1ccc(NC(C)=O)cc1)C[C@H]1CCCO1	ZINC000037423720	554243723	/nfs/dbraw/zinc/24/37/23/554243723.db2.gz	XVPDFINFBITWRQ-HXUWFJFHSA-N	0	0	510.996	3.220	50	0		KGAARN
COCCCNC(=O)CN1c2c(c(C(C)(C)C)nn2C)[C@@H](c2cc(OC)ccc2OC)SCC1=O	ZINC000037425638	554245293	/nfs/dbraw/zinc/24/52/93/554245293.db2.gz	SNJQHFQVOUZQRD-JOCHJYFZSA-N	0	0	504.653	3.057	50	0		KGAARN
COCCCNC(=O)CN1c2c(c(C(C)(C)C)nn2C)[C@H](c2cc(OC)ccc2OC)SCC1=O	ZINC000037425639	554245317	/nfs/dbraw/zinc/24/53/17/554245317.db2.gz	SNJQHFQVOUZQRD-QFIPXVFZSA-N	0	0	504.653	3.057	50	0		KGAARN
COCCCNC(=O)CN1c2c(c(-c3ccccc3)nn2C)[C@H](c2cc(OC)ccc2OC)SCC1=O	ZINC000037425686	554245582	/nfs/dbraw/zinc/24/55/82/554245582.db2.gz	WUKMBHOQOKPHIE-SANMLTNESA-N	0	0	524.643	3.426	50	0		KGAARN
COCCCNC(=O)CN1c2c(c(-c3ccccc3)nn2C)[C@@H](c2cc(OC)ccc2OC)SCC1=O	ZINC000037425687	554245624	/nfs/dbraw/zinc/24/56/24/554245624.db2.gz	WUKMBHOQOKPHIE-AREMUKBSSA-N	0	0	524.643	3.426	50	0		KGAARN
COc1cccc(Nc2nc(C(=O)N(CC(=O)N3CCN(C(C)=O)CC3)Cc3ccccc3)cs2)c1	ZINC000037426360	554245842	/nfs/dbraw/zinc/24/58/42/554245842.db2.gz	LSQTYSNGUDVLPE-UHFFFAOYSA-N	0	0	507.616	3.228	50	0		KGAARN
CCOC(=O)C1CCN(C(=O)Cn2c3ccccc3s/c2=N\C(=O)c2ccc(OC)c(OC)c2)CC1	ZINC000037428207	554247632	/nfs/dbraw/zinc/24/76/32/554247632.db2.gz	ONPZDLHZFQTIGA-RQZHXJHFSA-N	0	0	511.600	3.263	50	0		KGAARN
CCN1CCN(C(=O)c2ccc(Cn3c(C)cs/c3=N\C(=O)c3ccc(OC)c(OC)c3)cc2)CC1	ZINC000037428532	554247830	/nfs/dbraw/zinc/24/78/30/554247830.db2.gz	IEWCHSADEPMKPP-DQSJHHFOSA-N	0	0	508.644	3.442	50	0		KGAARN
COc1ccccc1Nc1nc(C(=O)N(CCC(=O)N2CCN(C(C)=O)CC2)Cc2ccco2)cs1	ZINC000037435584	554247808	/nfs/dbraw/zinc/24/78/08/554247808.db2.gz	YNWJETJYIGCZGZ-UHFFFAOYSA-N	0	0	511.604	3.212	50	0		KGAARN
COCCN(CCC(=O)N1CCN(C(C)=O)CC1)C(=O)c1csc(Nc2cc(Cl)ccc2C)n1	ZINC000037436276	554247787	/nfs/dbraw/zinc/24/77/87/554247787.db2.gz	MVICJHHMLOYASB-UHFFFAOYSA-N	0	0	508.044	3.018	50	0		KGAARN
CCN1CCN(C(=O)c2ccccc2Cn2c(C)cs/c2=N\C(=O)c2ccc(OC)c(OC)c2)CC1	ZINC000037436811	554248142	/nfs/dbraw/zinc/24/81/42/554248142.db2.gz	PUCQYPJEDBYFMC-DQSJHHFOSA-N	0	0	508.644	3.442	50	0		KGAARN
CCN1CCN(C(=O)c2cccc(Cn3cc(C)s/c3=N\C(=O)c3ccc(OC)c(OC)c3)c2)CC1	ZINC000037436995	554248208	/nfs/dbraw/zinc/24/82/08/554248208.db2.gz	OKMCFXYHBCEIIW-DQSJHHFOSA-N	0	0	508.644	3.442	50	0		KGAARN
COc1ccccc1Nc1nc(C(=O)N(CC(=O)N2CCN(C(C)=O)CC2)Cc2ccccc2)cs1	ZINC000037437905	554248166	/nfs/dbraw/zinc/24/81/66/554248166.db2.gz	UNEMSOBQZFYJHA-UHFFFAOYSA-N	0	0	507.616	3.228	50	0		KGAARN
CCOC(=O)C1CCN(C(=O)c2ccc(Cn3ccs/c3=N\C(=O)c3ccc(OC)c(OC)c3)o2)CC1	ZINC000037438312	554248421	/nfs/dbraw/zinc/24/84/21/554248421.db2.gz	ODCJKAMIVYFBHF-RQZHXJHFSA-N	0	0	527.599	3.365	50	0		KGAARN
COc1ccc(S(=O)(=O)N2CCC[C@@H](C)C2)cc1N1CCN(C(=O)[C@H](OC(C)=O)c2ccccc2)CC1	ZINC000037452428	554248658	/nfs/dbraw/zinc/24/86/58/554248658.db2.gz	GIXRUZUNMCDSBN-FQRUVTKNSA-N	0	0	529.659	3.069	50	0		KGAARN
COc1ccc(S(=O)(=O)N2CCC[C@H](C)C2)cc1N1CCN(C(=O)[C@H](OC(C)=O)c2ccccc2)CC1	ZINC000037452432	554248673	/nfs/dbraw/zinc/24/86/73/554248673.db2.gz	GIXRUZUNMCDSBN-RXFWQSSRSA-N	0	0	529.659	3.069	50	0		KGAARN
CCN1CCN(C(=O)c2ccc(CN3C(=O)COc4ccc(C(=O)COc5cccc(F)c5)cc43)o2)CC1	ZINC000037510339	554248840	/nfs/dbraw/zinc/24/88/40/554248840.db2.gz	MWLPZVFVZBCHKC-UHFFFAOYSA-N	0	0	521.545	3.384	50	0		KGAARN
CCN1CCN(C(=O)c2ccc(CN3C(=O)COc4ccc(C(=O)COc5ccccc5)cc43)o2)CC1	ZINC000037510620	554248976	/nfs/dbraw/zinc/24/89/76/554248976.db2.gz	HWIBODRFKXPBNZ-UHFFFAOYSA-N	0	0	503.555	3.245	50	0		KGAARN
CCN1CCN(C(=O)c2ccc(CN3C(=O)COc4ccc(C(=O)COc5ccc(F)cc5)cc43)o2)CC1	ZINC000037510661	554249018	/nfs/dbraw/zinc/24/90/18/554249018.db2.gz	OWPUXIFPHNFQQO-UHFFFAOYSA-N	0	0	521.545	3.384	50	0		KGAARN
Cc1ccc(OCC(=O)c2ccc3c(c2)N(Cc2ccc(C(=O)N4CCN(C)CC4)o2)C(=O)CO3)cc1	ZINC000037511040	554249283	/nfs/dbraw/zinc/24/92/83/554249283.db2.gz	UHCSZLNNJUJTAO-UHFFFAOYSA-N	0	0	503.555	3.163	50	0		KGAARN
CCN1CCN(C(=O)c2ccc(CN3C(=O)COc4ccc(C(=O)COc5ccccc5F)cc43)o2)CC1	ZINC000037511043	554249273	/nfs/dbraw/zinc/24/92/73/554249273.db2.gz	RQRLJQBVMHWMSP-UHFFFAOYSA-N	0	0	521.545	3.384	50	0		KGAARN
Cc1ccccc1OCC(=O)c1ccc2c(c1)N(Cc1ccc(C(=O)N3CCN(C)CC3)o1)C(=O)CO2	ZINC000037511054	554249233	/nfs/dbraw/zinc/24/92/33/554249233.db2.gz	YFULMECFIDKWNL-UHFFFAOYSA-N	0	0	503.555	3.163	50	0		KGAARN
CCc1cccc(OCC(=O)c2ccc3c(c2)N(Cc2ccc(C(=O)N4CCN(C)CC4)o2)C(=O)CO3)c1	ZINC000037511277	554249534	/nfs/dbraw/zinc/24/95/34/554249534.db2.gz	RNFXLRLIGZHWEX-UHFFFAOYSA-N	0	0	517.582	3.417	50	0		KGAARN
COCCNC(=O)c1ccc(CN2C(=O)COc3ccc(C(=O)COc4ccc(F)c(F)c4)cc32)o1	ZINC000037511790	554249582	/nfs/dbraw/zinc/24/95/82/554249582.db2.gz	OXGXAGTVIFZPIS-UHFFFAOYSA-N	0	0	500.454	3.121	50	0		KGAARN
CCOC(=O)C1CCN(C(=O)CN2C(=O)COc3ccc(C(=O)COc4cc(C)ccc4Cl)cc32)CC1	ZINC000037511893	554249667	/nfs/dbraw/zinc/24/96/67/554249667.db2.gz	KFPUHKYDBWKYFF-UHFFFAOYSA-N	0	0	528.989	3.437	50	0		KGAARN
CCOC(=O)[C@@H]1CCCN(C(=O)CN2C(=O)COc3ccc(C(=O)COc4cc(C)ccc4Cl)cc32)C1	ZINC000037511894	554249567	/nfs/dbraw/zinc/24/95/67/554249567.db2.gz	QNUUMMDBXFWCEU-LJQANCHMSA-N	0	0	528.989	3.437	50	0		KGAARN
CCOC(=O)[C@H]1CCCN(C(=O)CN2C(=O)COc3ccc(C(=O)COc4cc(C)ccc4Cl)cc32)C1	ZINC000037511895	554249593	/nfs/dbraw/zinc/24/95/93/554249593.db2.gz	QNUUMMDBXFWCEU-IBGZPJMESA-N	0	0	528.989	3.437	50	0		KGAARN
CCCc1ccc(OCC(=O)c2ccc3c(c2)N(CC(=O)N2CCC(C(=O)OCC)CC2)C(=O)CO3)cc1	ZINC000037512576	554249490	/nfs/dbraw/zinc/24/94/90/554249490.db2.gz	ZADKMPAIAYJPKL-UHFFFAOYSA-N	0	0	522.598	3.428	50	0		KGAARN
CCCc1ccc(OCC(=O)c2ccc3c(c2)N(CC(=O)N2CCC[C@H](C(=O)OCC)C2)C(=O)CO3)cc1	ZINC000037512577	554249672	/nfs/dbraw/zinc/24/96/72/554249672.db2.gz	BJJLOBMPVIYMAL-QFIPXVFZSA-N	0	0	522.598	3.428	50	0		KGAARN
CCCc1ccc(OCC(=O)c2ccc3c(c2)N(CC(=O)N2CCC[C@@H](C(=O)OCC)C2)C(=O)CO3)cc1	ZINC000037512578	554249759	/nfs/dbraw/zinc/24/97/59/554249759.db2.gz	BJJLOBMPVIYMAL-JOCHJYFZSA-N	0	0	522.598	3.428	50	0		KGAARN
CCOC(=O)C1CCN(C(=O)CN2C(=O)COc3ccc(C(=O)COc4c(C)cccc4C)cc32)CC1	ZINC000037512641	554249836	/nfs/dbraw/zinc/24/98/36/554249836.db2.gz	WAVBTOBCERDMJP-UHFFFAOYSA-N	0	0	508.571	3.092	50	0		KGAARN
CCOC(=O)[C@H]1CCCN(C(=O)CN2C(=O)COc3ccc(C(=O)COc4cccc(CC)c4)cc32)C1	ZINC000037512774	554249756	/nfs/dbraw/zinc/24/97/56/554249756.db2.gz	ZDUUCOHRFZHHAW-NRFANRHFSA-N	0	0	508.571	3.038	50	0		KGAARN
CCOC(=O)[C@@H]1CCCN(C(=O)CN2C(=O)COc3ccc(C(=O)COc4cccc(CC)c4)cc32)C1	ZINC000037512775	554249712	/nfs/dbraw/zinc/24/97/12/554249712.db2.gz	ZDUUCOHRFZHHAW-OAQYLSRUSA-N	0	0	508.571	3.038	50	0		KGAARN
CCOC(=O)C1CCN(C(=O)CN2C(=O)COc3ccc(C(=O)COc4ccc(Cl)c(C)c4)cc32)CC1	ZINC000037512802	554249716	/nfs/dbraw/zinc/24/97/16/554249716.db2.gz	SXJSJAVPNSRMAY-UHFFFAOYSA-N	0	0	528.989	3.437	50	0		KGAARN
CCOC(=O)[C@@H]1CCCN(C(=O)CN2C(=O)COc3ccc(C(=O)COc4c(C)ccc(C)c4C)cc32)C1	ZINC000037512838	554249814	/nfs/dbraw/zinc/24/98/14/554249814.db2.gz	UREWPFGAQBNUJH-JOCHJYFZSA-N	0	0	522.598	3.401	50	0		KGAARN
CCOC(=O)[C@H]1CCCN(C(=O)CN2C(=O)COc3ccc(C(=O)COc4c(C)ccc(C)c4C)cc32)C1	ZINC000037512839	554249720	/nfs/dbraw/zinc/24/97/20/554249720.db2.gz	UREWPFGAQBNUJH-QFIPXVFZSA-N	0	0	522.598	3.401	50	0		KGAARN
CCOC(=O)[C@@H]1CCCN(C(=O)CN2C(=O)COc3ccc(C(=O)COc4ccc(C)cc4C)cc32)C1	ZINC000037513013	554249744	/nfs/dbraw/zinc/24/97/44/554249744.db2.gz	FFJWGMVIUFBXLD-OAQYLSRUSA-N	0	0	508.571	3.092	50	0		KGAARN
CCOC(=O)[C@H]1CCCN(C(=O)CN2C(=O)COc3ccc(C(=O)COc4ccc(C)cc4C)cc32)C1	ZINC000037513014	554249723	/nfs/dbraw/zinc/24/97/23/554249723.db2.gz	FFJWGMVIUFBXLD-NRFANRHFSA-N	0	0	508.571	3.092	50	0		KGAARN
CCOC(=O)[C@@H]1CCCN(C(=O)CN2C(=O)COc3ccc(C(=O)COc4cc(C)cc(C)c4)cc32)C1	ZINC000037513069	554249785	/nfs/dbraw/zinc/24/97/85/554249785.db2.gz	CSLZBBAPESTOEZ-OAQYLSRUSA-N	0	0	508.571	3.092	50	0		KGAARN
CCOC(=O)[C@H]1CCCN(C(=O)CN2C(=O)COc3ccc(C(=O)COc4cc(C)cc(C)c4)cc32)C1	ZINC000037513070	554249768	/nfs/dbraw/zinc/24/97/68/554249768.db2.gz	CSLZBBAPESTOEZ-NRFANRHFSA-N	0	0	508.571	3.092	50	0		KGAARN
CCOC(=O)C1CCN(C(=O)CN2C(=O)COc3ccc(C(=O)COc4ccc(C)cc4C)cc32)CC1	ZINC000037513139	554249855	/nfs/dbraw/zinc/24/98/55/554249855.db2.gz	QNBCUMUPGMNNOV-UHFFFAOYSA-N	0	0	508.571	3.092	50	0		KGAARN
CCOC(=O)[C@@H]1CCCN(C(=O)CN2C(=O)COc3ccc(C(=O)COc4cc(C)cc(C)c4C)cc32)C1	ZINC000037519830	554250111	/nfs/dbraw/zinc/25/01/11/554250111.db2.gz	QYQIKPBIAZIIBE-JOCHJYFZSA-N	0	0	522.598	3.401	50	0		KGAARN
CCOC(=O)[C@H]1CCCN(C(=O)CN2C(=O)COc3ccc(C(=O)COc4cc(C)cc(C)c4C)cc32)C1	ZINC000037519831	554250086	/nfs/dbraw/zinc/25/00/86/554250086.db2.gz	QYQIKPBIAZIIBE-QFIPXVFZSA-N	0	0	522.598	3.401	50	0		KGAARN
CCOC(=O)C1CCN(C(=O)CN2C(=O)COc3ccc(C(=O)COc4ccccc4Cl)cc32)CC1	ZINC000037519849	554250201	/nfs/dbraw/zinc/25/02/01/554250201.db2.gz	YJLPEOKDTFXLKH-UHFFFAOYSA-N	0	0	514.962	3.129	50	0		KGAARN
COc1nc(N2CCN(c3cccc(C(F)(F)F)c3)CC2)ncc1C(=O)NCc1ccc2c(c1)OCO2	ZINC000037523315	554249995	/nfs/dbraw/zinc/24/99/95/554249995.db2.gz	BGSXFKIMZGOQOV-UHFFFAOYSA-N	0	0	515.492	3.489	50	0		KGAARN
COc1ccc(C(=O)NC2CCN(c3ccccc3C(=O)N3CCN(c4ccccn4)CC3)CC2)c(OC)c1	ZINC000037525221	554250400	/nfs/dbraw/zinc/25/04/00/554250400.db2.gz	VVRSSXHHPGGERI-UHFFFAOYSA-N	0	0	529.641	3.460	50	0		KGAARN
COc1ccc(-c2nnc3c4ccccc4nc(N4CCN(S(=O)(=O)c5ccccc5)CC4)n23)cc1	ZINC000037554668	554251333	/nfs/dbraw/zinc/25/13/33/554251333.db2.gz	IPDUTFITUPRLRW-UHFFFAOYSA-N	0	0	500.584	3.464	50	0		KGAARN
COc1cccc(-c2nnc3c4ccccc4nc(N4CCN(S(=O)(=O)c5ccccc5)CC4)n23)c1	ZINC000037554671	554251417	/nfs/dbraw/zinc/25/14/17/554251417.db2.gz	NWJWPDWWLBUBNF-UHFFFAOYSA-N	0	0	500.584	3.464	50	0		KGAARN
O=C(NC1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)c1nccnc1NC(=O)C1CCCCC1	ZINC000037574854	554251865	/nfs/dbraw/zinc/25/18/65/554251865.db2.gz	DESHLVXCLGEODK-UHFFFAOYSA-N	0	0	506.028	3.232	50	0		KGAARN
COc1ccc(NC(=O)C2CCN(C(=O)c3cc4n(n3)CCCN(Cc3ccccc3)C4=O)CC2)cc1	ZINC000037576382	554252304	/nfs/dbraw/zinc/25/23/04/554252304.db2.gz	SBXZOAXTMVJRQP-UHFFFAOYSA-N	0	0	501.587	3.429	50	0		KGAARN
O=C(NCc1ccc(F)cc1)C1CCN(C(=O)c2cc3n(n2)CCCN(Cc2ccccc2)C3=O)CC1	ZINC000037576843	554252269	/nfs/dbraw/zinc/25/22/69/554252269.db2.gz	KUTXIQYOCFDBRZ-UHFFFAOYSA-N	0	0	503.578	3.237	50	0		KGAARN
O=C(NCc1ccc(F)cc1)[C@H]1CCCCN1C(=O)c1cc2n(n1)CCCN(Cc1ccccc1)C2=O	ZINC000037576883	554252198	/nfs/dbraw/zinc/25/21/98/554252198.db2.gz	RUIIPFIOICUCEV-XMMPIXPASA-N	0	0	503.578	3.379	50	0		KGAARN
O=C(NCc1ccc(F)cc1)[C@@H]1CCCCN1C(=O)c1cc2n(n1)CCCN(Cc1ccccc1)C2=O	ZINC000037576886	554252300	/nfs/dbraw/zinc/25/23/00/554252300.db2.gz	RUIIPFIOICUCEV-DEOSSOPVSA-N	0	0	503.578	3.379	50	0		KGAARN
CC(C)C[C@H](NC(=O)c1cc2n(n1)CCCN(Cc1ccccc1)C2=O)C(=O)NCc1ccc2c(c1)OCO2	ZINC000037577256	554252189	/nfs/dbraw/zinc/25/21/89/554252189.db2.gz	WPOSQYJRVVOHTL-QFIPXVFZSA-N	0	0	531.613	3.119	50	0		KGAARN
CC(C)C[C@@H](NC(=O)c1cc2n(n1)CCCN(Cc1ccccc1)C2=O)C(=O)NCc1ccc2c(c1)OCO2	ZINC000037577259	554252221	/nfs/dbraw/zinc/25/22/21/554252221.db2.gz	WPOSQYJRVVOHTL-JOCHJYFZSA-N	0	0	531.613	3.119	50	0		KGAARN
COCCN(CCC(=O)N[C@@H](C)c1ccccc1)C(=O)c1cc2n(n1)CCCN(Cc1ccccc1)C2=O	ZINC000037577866	554252459	/nfs/dbraw/zinc/25/24/59/554252459.db2.gz	GAAMTIFOFAVIBT-QFIPXVFZSA-N	0	0	517.630	3.285	50	0		KGAARN
COCCN(CCC(=O)N[C@H](C)c1ccccc1)C(=O)c1cc2n(n1)CCCN(Cc1ccccc1)C2=O	ZINC000037577869	554252492	/nfs/dbraw/zinc/25/24/92/554252492.db2.gz	GAAMTIFOFAVIBT-JOCHJYFZSA-N	0	0	517.630	3.285	50	0		KGAARN
CCN(CCC(=O)NCc1ccc2c(c1)OCO2)C(=O)c1cc2n(n1)CCCN(Cc1cccc(C)c1)C2=O	ZINC000037578927	554252759	/nfs/dbraw/zinc/25/27/59/554252759.db2.gz	GSXHQWLSYWQFKH-UHFFFAOYSA-N	0	0	531.613	3.135	50	0		KGAARN
CCN(CCC(=O)NCCc1ccccc1)C(=O)c1cc2n(n1)CCCN(Cc1cccc(C)c1)C2=O	ZINC000037579434	554252788	/nfs/dbraw/zinc/25/27/88/554252788.db2.gz	NNWMPSAHEDGKTB-UHFFFAOYSA-N	0	0	501.631	3.449	50	0		KGAARN
CCN(CCC(=O)NCCc1ccccc1)C(=O)c1cc2n(n1)CCCN(Cc1ccc(C)cc1)C2=O	ZINC000037579447	554252814	/nfs/dbraw/zinc/25/28/14/554252814.db2.gz	DJMPWFIGZOCHOO-UHFFFAOYSA-N	0	0	501.631	3.449	50	0		KGAARN
CN(c1nc2c(c(N3CCOCC3)n1)CN(S(=O)(=O)c1cccc(Cl)c1)CC2)C1CCCCC1	ZINC000037580621	554252988	/nfs/dbraw/zinc/25/29/88/554252988.db2.gz	OXYAEZAMWLKPBT-UHFFFAOYSA-N	0	0	506.072	3.483	50	0		KGAARN
O=S(=O)(c1cccc(Cl)c1)N1CCc2nc(N3CCc4ccccc4C3)nc(N3CCOCC3)c2C1	ZINC000037580652	554253029	/nfs/dbraw/zinc/25/30/29/554253029.db2.gz	ONHCOUQXBYKGKO-UHFFFAOYSA-N	0	0	526.062	3.276	50	0		KGAARN
CC(=O)N1CCN(C(=O)COc2ccc3c(c2)[C@@H](c2cccc(C)c2)N(C(=O)c2ccco2)CC3)CC1	ZINC000037603871	554255083	/nfs/dbraw/zinc/25/50/83/554255083.db2.gz	NCZCZTMUDLFVHB-MUUNZHRXSA-N	0	0	501.583	3.445	50	0		KGAARN
CC(=O)N1CCN(C(=O)COc2ccc3c(c2)[C@H](c2cccc(C)c2)N(C(=O)c2ccco2)CC3)CC1	ZINC000037603872	554255100	/nfs/dbraw/zinc/25/51/00/554255100.db2.gz	NCZCZTMUDLFVHB-NDEPHWFRSA-N	0	0	501.583	3.445	50	0		KGAARN
CC(=O)N1CCN(C(=O)c2coc(COc3ccc4c(c3)[C@H](c3ccc(F)cc3)N(C(C)=O)CC4)n2)CC1	ZINC000037604889	554256356	/nfs/dbraw/zinc/25/63/56/554256356.db2.gz	BCVNIRPPXUQSKJ-MHZLTWQESA-N	0	0	520.561	3.191	50	0		KGAARN
CC(=O)N1CCN(C(=O)c2coc(COc3ccc4c(c3)[C@@H](c3ccc(F)cc3)N(C(C)=O)CC4)n2)CC1	ZINC000037604890	554256380	/nfs/dbraw/zinc/25/63/80/554256380.db2.gz	BCVNIRPPXUQSKJ-HHHXNRCGSA-N	0	0	520.561	3.191	50	0		KGAARN
COc1cc(C(=O)N(CC(C)C)C[C@@H]2CN(C(=O)COc3ccccc3)CCO2)cc(OC)c1OC	ZINC000037609774	554258336	/nfs/dbraw/zinc/25/83/36/554258336.db2.gz	LVQQAJVDOMAJMW-QFIPXVFZSA-N	0	0	500.592	3.117	50	0		KGAARN
COc1cc(C(=O)N(CC(C)C)C[C@H]2CN(C(=O)COc3ccccc3)CCO2)cc(OC)c1OC	ZINC000037609777	554258288	/nfs/dbraw/zinc/25/82/88/554258288.db2.gz	LVQQAJVDOMAJMW-JOCHJYFZSA-N	0	0	500.592	3.117	50	0		KGAARN
O=C(COc1ccccc1)N1CCCN(C[C@@H]2CN(C(=O)c3ccc(Cl)c(Cl)c3)CCO2)CC1	ZINC000037610560	554258290	/nfs/dbraw/zinc/25/82/90/554258290.db2.gz	QALSRFXDEYRWGG-OAQYLSRUSA-N	0	0	506.430	3.448	50	0		KGAARN
O=C(COc1ccccc1)N1CCCN(C[C@H]2CN(C(=O)c3ccc(Cl)c(Cl)c3)CCO2)CC1	ZINC000037610563	554258311	/nfs/dbraw/zinc/25/83/11/554258311.db2.gz	QALSRFXDEYRWGG-NRFANRHFSA-N	0	0	506.430	3.448	50	0		KGAARN
O=C(c1ccc2c(c1)OCO2)N1CCO[C@H](CN2CCCN(C(=O)c3ccc4ccccc4c3)CC2)C1	ZINC000037610566	554258281	/nfs/dbraw/zinc/25/82/81/554258281.db2.gz	UBVWKLVYJGYXCL-RUZDIDTESA-N	0	0	501.583	3.258	50	0		KGAARN
O=C(c1ccc2c(c1)OCO2)N1CCO[C@@H](CN2CCCN(C(=O)c3ccc4ccccc4c3)CC2)C1	ZINC000037610569	554258320	/nfs/dbraw/zinc/25/83/20/554258320.db2.gz	UBVWKLVYJGYXCL-VWLOTQADSA-N	0	0	501.583	3.258	50	0		KGAARN
COCCN(C[C@@H]1CN(S(=O)(=O)c2ccc(F)cc2)CCO1)C(=O)c1cccc(C(F)(F)F)c1	ZINC000037611853	554258401	/nfs/dbraw/zinc/25/84/01/554258401.db2.gz	MRKPFCOJFOGSRS-LJQANCHMSA-N	0	0	504.502	3.023	50	0		KGAARN
COCCN(C[C@H]1CN(S(=O)(=O)c2ccc(F)cc2)CCO1)C(=O)c1cccc(C(F)(F)F)c1	ZINC000037611855	554258446	/nfs/dbraw/zinc/25/84/46/554258446.db2.gz	MRKPFCOJFOGSRS-IBGZPJMESA-N	0	0	504.502	3.023	50	0		KGAARN
COc1ccc(CCNC(=O)CS(=O)(=O)c2cn(CC(=O)N(C(C)C)C(C)C)c3ccccc23)cc1OC	ZINC000038139071	554258886	/nfs/dbraw/zinc/25/88/86/554258886.db2.gz	LKNRQMUTAQUTPS-UHFFFAOYSA-N	0	0	543.686	3.437	50	0		KGAARN
CC(=O)Nc1ccc(NC(=O)CSc2nnc(NC(=O)[C@@H]3CC(=O)N(c4ccc(F)cc4)C3)s2)cc1	ZINC000038139077	554258830	/nfs/dbraw/zinc/25/88/30/554258830.db2.gz	IMMPHMUQDCHOQU-CQSZACIVSA-N	0	0	528.591	3.358	50	0		KGAARN
CC(=O)Nc1ccc(NC(=O)CSc2nnc(NC(=O)[C@H]3CC(=O)N(c4ccc(F)cc4)C3)s2)cc1	ZINC000038139078	554258877	/nfs/dbraw/zinc/25/88/77/554258877.db2.gz	IMMPHMUQDCHOQU-AWEZNQCLSA-N	0	0	528.591	3.358	50	0		KGAARN
COc1cccc(N2C[C@H](C(=O)Nc3nnc(SCC(=O)Nc4ccc(NC(C)=O)cc4)s3)CC2=O)c1	ZINC000038139081	554258825	/nfs/dbraw/zinc/25/88/25/554258825.db2.gz	UJDNBEPCOHOWSJ-OAHLLOKOSA-N	0	0	540.627	3.228	50	0		KGAARN
COc1cccc(N2C[C@@H](C(=O)Nc3nnc(SCC(=O)Nc4ccc(NC(C)=O)cc4)s3)CC2=O)c1	ZINC000038139082	554258930	/nfs/dbraw/zinc/25/89/30/554258930.db2.gz	UJDNBEPCOHOWSJ-HNNXBMFYSA-N	0	0	540.627	3.228	50	0		KGAARN
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CCOC)c1=NC(=O)C(C)(C)Oc1ccc(Cl)cc1	ZINC000038139195	1060003022	/nfs/dbraw/zinc/00/30/22/1060003022.db2.gz	KAHKNJBYOGSKMJ-UHFFFAOYSA-N	0	0	538.988	3.411	50	0		KGAARN
CC(=O)N1c2ccc(S(=O)(=O)N3CCC(C(=O)N4CCN(c5cccc(C)c5C)CC4)CC3)cc2C[C@@H]1C	ZINC000038139294	554259894	/nfs/dbraw/zinc/25/98/94/554259894.db2.gz	DUGWMTLNSRGQDT-NRFANRHFSA-N	0	0	538.714	3.350	50	0		KGAARN
CC(=O)N1c2ccc(S(=O)(=O)N3CCC(C(=O)N4CCN(c5cccc(C)c5C)CC4)CC3)cc2C[C@H]1C	ZINC000038139295	554259927	/nfs/dbraw/zinc/25/99/27/554259927.db2.gz	DUGWMTLNSRGQDT-OAQYLSRUSA-N	0	0	538.714	3.350	50	0		KGAARN
C[C@@H]1Cc2cc(S(=O)(=O)N3CCC(C(=O)N4CCN(c5ccccc5F)CC4)CC3)ccc2N1C(=O)C1CC1	ZINC000038139296	554259891	/nfs/dbraw/zinc/25/98/91/554259891.db2.gz	RZSOMCPKYPAVJV-HXUWFJFHSA-N	0	0	554.688	3.263	50	0		KGAARN
C[C@H]1Cc2cc(S(=O)(=O)N3CCC(C(=O)N4CCN(c5ccccc5F)CC4)CC3)ccc2N1C(=O)C1CC1	ZINC000038139297	554259839	/nfs/dbraw/zinc/25/98/39/554259839.db2.gz	RZSOMCPKYPAVJV-FQEVSTJZSA-N	0	0	554.688	3.263	50	0		KGAARN
COc1cc(C(=O)N2CCN(C(=O)c3cc(-c4ccc(Br)cc4)n[nH]3)CC2)cc(OC)c1OC	ZINC000038139298	554259883	/nfs/dbraw/zinc/25/98/83/554259883.db2.gz	HGIYBRZQSZSFQX-UHFFFAOYSA-N	0	0	529.391	3.463	50	0		KGAARN
CC(=O)c1ccc(N2CCN(C(=O)C3CCN(S(=O)(=O)c4ccc5c(c4)C[C@@H](C)N5C(=O)C4CC4)CC3)CC2)cc1	ZINC000038139301	554259937	/nfs/dbraw/zinc/25/99/37/554259937.db2.gz	NJCPXRBJOBQJGQ-OAQYLSRUSA-N	0	0	578.735	3.326	50	0		KGAARN
CC(=O)c1ccc(N2CCN(C(=O)C3CCN(S(=O)(=O)c4ccc5c(c4)C[C@H](C)N5C(=O)C4CC4)CC3)CC2)cc1	ZINC000038139302	554259973	/nfs/dbraw/zinc/25/99/73/554259973.db2.gz	NJCPXRBJOBQJGQ-NRFANRHFSA-N	0	0	578.735	3.326	50	0		KGAARN
CC(=O)N1c2ccc(S(=O)(=O)N3CCC(C(=O)N4CCN(c5ccc(Cl)cc5)CC4)CC3)cc2C[C@H]1C	ZINC000038139306	554259953	/nfs/dbraw/zinc/25/99/53/554259953.db2.gz	XYZZSEFVOZAVHO-LJQANCHMSA-N	0	0	545.105	3.387	50	0		KGAARN
CC(=O)N1c2ccc(S(=O)(=O)N3CCC(C(=O)N4CCN(c5ccc(Cl)cc5)CC4)CC3)cc2C[C@@H]1C	ZINC000038139307	554260184	/nfs/dbraw/zinc/26/01/84/554260184.db2.gz	XYZZSEFVOZAVHO-IBGZPJMESA-N	0	0	545.105	3.387	50	0		KGAARN
COc1ccccc1N1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)C[C@@H](C)N4C(=O)C3CC3)CC2)CC1	ZINC000038139317	554260129	/nfs/dbraw/zinc/26/01/29/554260129.db2.gz	IMQVPBIPMJQTCN-OAQYLSRUSA-N	0	0	566.724	3.132	50	0		KGAARN
COc1ccccc1N1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)C[C@H](C)N4C(=O)C3CC3)CC2)CC1	ZINC000038139318	554260114	/nfs/dbraw/zinc/26/01/14/554260114.db2.gz	IMQVPBIPMJQTCN-NRFANRHFSA-N	0	0	566.724	3.132	50	0		KGAARN
CCCCCN(C(=O)CCC(=O)OCC(=O)Nc1cccc(SC)c1)c1c(N)n(CCCC)c(=O)[nH]c1=O	ZINC000038139382	554260131	/nfs/dbraw/zinc/26/01/31/554260131.db2.gz	IOBZCJOABGQQHY-UHFFFAOYSA-N	0	0	547.678	3.126	50	0		KGAARN
Cc1ccc(SCC(=O)OCC(=O)NCCNC(=O)COC(=O)CSc2ccc(C)c(C)c2)cc1C	ZINC000038139388	554260088	/nfs/dbraw/zinc/26/00/88/554260088.db2.gz	KOKHLAZCNSEHJZ-UHFFFAOYSA-N	0	0	532.684	3.123	50	0		KGAARN
Cc1ccc(C(=O)OCC(=O)N(CCc2ccccc2)Cc2ccccc2)cc1S(=O)(=O)N1CCOCC1	ZINC000038139401	554260373	/nfs/dbraw/zinc/26/03/73/554260373.db2.gz	XHYCLHWRSFFUKB-UHFFFAOYSA-N	0	0	536.650	3.444	50	0		KGAARN
O=C(COC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F)N(CCc1ccccc1)Cc1ccccc1	ZINC000038139404	554260369	/nfs/dbraw/zinc/26/03/69/554260369.db2.gz	BKDBKMIQFGPGMU-UHFFFAOYSA-N	0	0	540.613	3.275	50	0		KGAARN
COc1ccc2oc(C(=O)OCC(=O)N(CC(C)C)c3c(N)n(Cc4ccccc4)c(=O)[nH]c3=O)c(C)c2c1	ZINC000038139412	554260360	/nfs/dbraw/zinc/26/03/60/554260360.db2.gz	HIQITAVRMNVIKL-UHFFFAOYSA-N	0	0	534.569	3.076	50	0		KGAARN
C[C@@H]1O[C@@H](O[C@@H]2C=C3CC[C@H]4[C@@H](CC[C@]5(C)[C@@H](c6ccc(=O)oc6)CC[C@]45O)[C@@]3(C)CC2)[C@H](O)[C@H](O)[C@H]1O	ZINC000038139432	554260426	/nfs/dbraw/zinc/26/04/26/554260426.db2.gz	MYEJFUXQJGHEQK-KRWMJRNMSA-N	0	0	530.658	3.014	50	0		KGAARN
CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)C(=O)c1cccc(S(=O)(=O)N2CCc3ccccc3C2)c1	ZINC000038139436	554260628	/nfs/dbraw/zinc/26/06/28/554260628.db2.gz	GJVAQJXAVRUOQT-UHFFFAOYSA-N	0	0	534.638	3.493	50	0		KGAARN
Cc1ccc(C)c(SCC(=O)OCC(=O)NCCNC(=O)COC(=O)CSc2cc(C)ccc2C)c1	ZINC000038139451	554260630	/nfs/dbraw/zinc/26/06/30/554260630.db2.gz	UFKAQLCUMBOILE-UHFFFAOYSA-N	0	0	532.684	3.123	50	0		KGAARN
CC(C)CN(C(=O)COC(=O)c1ccccc1NCc1ccco1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	ZINC000038139554	554260877	/nfs/dbraw/zinc/26/08/77/554260877.db2.gz	CIXCQOYCHYOLSN-UHFFFAOYSA-N	0	0	545.596	3.218	50	0		KGAARN
C[C@H](Oc1ccc(Br)cc1)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1	ZINC000038139611	554260846	/nfs/dbraw/zinc/26/08/46/554260846.db2.gz	HVCOJAYYABUCJN-KRWDZBQOSA-N	0	0	538.464	3.476	50	0		KGAARN
C[C@@H](Oc1ccc(Br)cc1)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1	ZINC000038139614	554260865	/nfs/dbraw/zinc/26/08/65/554260865.db2.gz	HVCOJAYYABUCJN-QGZVFWFLSA-N	0	0	538.464	3.476	50	0		KGAARN
CN(C(=O)COC(=O)c1ccccc1OCc1ccc(Cl)cc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	ZINC000038139631	554261200	/nfs/dbraw/zinc/26/12/00/554261200.db2.gz	UOEFLPDKPMZZGB-UHFFFAOYSA-N	0	0	548.983	3.219	50	0		KGAARN
CCCCn1c(N)c(N(CCOC)C(=O)c2cc(-c3ccc(OC)c(OC)c3)nc3ccccc32)c(=O)[nH]c1=O	ZINC000038139634	554261133	/nfs/dbraw/zinc/26/11/33/554261133.db2.gz	QBHFJBFVFJZBQI-UHFFFAOYSA-N	0	0	547.612	3.445	50	0		KGAARN
CC(C)CN(C(=O)COC(=O)c1c2c(nc3ccccc31)CCC2)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	ZINC000038139859	554261689	/nfs/dbraw/zinc/26/16/89/554261689.db2.gz	GWHGYCWONNXGIV-UHFFFAOYSA-N	0	0	541.608	3.050	50	0		KGAARN
COc1ccc(CNC(=O)[C@@H](NC(=O)C2CCN(C(=O)[C@@H]3CCCN3C(=O)OC(C)(C)C)CC2)C(C)C)cc1	ZINC000038140061	554262506	/nfs/dbraw/zinc/26/25/06/554262506.db2.gz	ZXGIPJMCWZTGFW-ZEQRLZLVSA-N	0	0	544.693	3.090	50	0	biogenic	KGAARN
COc1ccc(C(=O)N/N=C/[C@]23CC[C@@H](O)C[C@]2(O)CC[C@@H]2[C@@H]3CC[C@]3(C)[C@@H](C4=CC(=O)OC4)CC[C@]23O)cc1	ZINC000038140243	554262473	/nfs/dbraw/zinc/26/24/73/554262473.db2.gz	URYMLBRCBBBXTC-YRPQXPAVSA-N	0	0	552.668	3.124	50	0	biogenic	KGAARN
O=c1cc(CN2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)nc2sc(-c3ccccc3F)nn21	ZINC000038140273	554262940	/nfs/dbraw/zinc/26/29/40/554262940.db2.gz	KELZKPQXAWSFDV-UHFFFAOYSA-N	0	0	520.011	3.117	50	0		KGAARN
COc1ccccc1-c1nn2c(nc(CN3CCN(C(=O)COc4ccccc4Cl)CC3)cc2=O)s1	ZINC000038140274	554262825	/nfs/dbraw/zinc/26/28/25/554262825.db2.gz	PKQCUQBPODIFQM-UHFFFAOYSA-N	0	0	526.018	3.203	50	0		KGAARN
CSCC[C@H](NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@H]2c3ccccc3C(=O)N21)C(=O)NC[C@@H]1CCCO1	ZINC000038140289	554262838	/nfs/dbraw/zinc/26/28/38/554262838.db2.gz	VFAWLHPUAWSITG-KJPXCWHJSA-N	0	0	532.666	3.171	50	0	biogenic	KGAARN
CSCC[C@H](NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@H]2c3ccccc3C(=O)N21)C(=O)NC[C@H]1CCCO1	ZINC000038140290	554262925	/nfs/dbraw/zinc/26/29/25/554262925.db2.gz	VFAWLHPUAWSITG-PCWBSFAKSA-N	0	0	532.666	3.171	50	0	biogenic	KGAARN
CSCC[C@H](NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@@H]2c3ccccc3C(=O)N21)C(=O)NC[C@@H]1CCCO1	ZINC000038140291	554262928	/nfs/dbraw/zinc/26/29/28/554262928.db2.gz	VFAWLHPUAWSITG-WRSRFLKKSA-N	0	0	532.666	3.171	50	0	biogenic	KGAARN
CSCC[C@H](NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@@H]2c3ccccc3C(=O)N21)C(=O)NC[C@H]1CCCO1	ZINC000038140292	554262882	/nfs/dbraw/zinc/26/28/82/554262882.db2.gz	VFAWLHPUAWSITG-GFUVIIAASA-N	0	0	532.666	3.171	50	0	biogenic	KGAARN
COc1cc(C(=O)NCc2ccc(S(N)(=O)=O)cc2)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1	ZINC000038140306	554263066	/nfs/dbraw/zinc/26/30/66/554263066.db2.gz	PVZBYDQBHWRHAE-UHFFFAOYSA-N	0	0	537.516	3.309	50	0		KGAARN
CCCCN(C(=O)c1ccc(N(C)S(=O)(=O)c2ccc(C)cc2)cc1)c1c(N)n(CCCC)c(=O)[nH]c1=O	ZINC000038140310	554263088	/nfs/dbraw/zinc/26/30/88/554263088.db2.gz	SRBWLZUPZUQFLZ-UHFFFAOYSA-N	0	0	541.674	3.499	50	0		KGAARN
CCCCn1c(N)c(N(CC(C)C)C(=O)c2cccc(S(=O)(=O)N(C)c3ccc(C)cc3)c2)c(=O)[nH]c1=O	ZINC000038140311	554263042	/nfs/dbraw/zinc/26/30/42/554263042.db2.gz	RNQPZUBSBZGQOM-UHFFFAOYSA-N	0	0	541.674	3.355	50	0		KGAARN
CCCCn1c(N)c(N(CC(C)C)C(=O)[C@@H](C)SCc2nc3sc(C)c(C)c3c(=O)[nH]2)c(=O)[nH]c1=O	ZINC000038140315	554263070	/nfs/dbraw/zinc/26/30/70/554263070.db2.gz	HLKSSBUQDLXMRG-OAHLLOKOSA-N	0	0	534.708	3.145	50	0		KGAARN
CCCCn1c(N)c(N(CC(C)C)C(=O)[C@H](C)SCc2nc3sc(C)c(C)c3c(=O)[nH]2)c(=O)[nH]c1=O	ZINC000038140316	554263038	/nfs/dbraw/zinc/26/30/38/554263038.db2.gz	HLKSSBUQDLXMRG-HNNXBMFYSA-N	0	0	534.708	3.145	50	0		KGAARN
CC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2OC(C)C)C1=O	ZINC000038140319	554263107	/nfs/dbraw/zinc/26/31/07/554263107.db2.gz	BWTCYAHKGWKRIT-MHZLTWQESA-N	0	0	542.658	3.444	50	0		KGAARN
CC[C@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2OC(C)C)C1=O	ZINC000038140320	554263045	/nfs/dbraw/zinc/26/30/45/554263045.db2.gz	BWTCYAHKGWKRIT-HHHXNRCGSA-N	0	0	542.658	3.444	50	0		KGAARN
Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)Nc3cc(S(=O)(=O)N4CCCCC4)ccc3OC(C)C)C2=O)cc1	ZINC000038140329	554263075	/nfs/dbraw/zinc/26/30/75/554263075.db2.gz	ZGEKSBBSWYGBNC-HHHXNRCGSA-N	0	0	542.658	3.363	50	0		KGAARN
Cc1ccc([C@]2(C)NC(=O)N(CC(=O)Nc3cc(S(=O)(=O)N4CCCCC4)ccc3OC(C)C)C2=O)cc1	ZINC000038140330	554263074	/nfs/dbraw/zinc/26/30/74/554263074.db2.gz	ZGEKSBBSWYGBNC-MHZLTWQESA-N	0	0	542.658	3.363	50	0		KGAARN
Cc1ccc(C(=O)OCC(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)cc1S(=O)(=O)N1CCCCC1	ZINC000038140433	554263673	/nfs/dbraw/zinc/26/36/73/554263673.db2.gz	OFEGQHROWPOVOP-UHFFFAOYSA-N	0	0	529.036	3.022	50	0		KGAARN
O=C(CNc1cc(S(=O)(=O)N2CCOCC2)ccc1NC[C@@H]1CCCO1)Nc1ccc(C(F)(F)F)cc1	ZINC000038140460	554263660	/nfs/dbraw/zinc/26/36/60/554263660.db2.gz	DQSSOFJHFPOTQG-IBGZPJMESA-N	0	0	542.580	3.368	50	0		KGAARN
O=C(CNc1cc(S(=O)(=O)N2CCOCC2)ccc1NC[C@H]1CCCO1)Nc1ccc(C(F)(F)F)cc1	ZINC000038140461	554263598	/nfs/dbraw/zinc/26/35/98/554263598.db2.gz	DQSSOFJHFPOTQG-LJQANCHMSA-N	0	0	542.580	3.368	50	0		KGAARN
CCCCn1c(N)c(N(CC(C)C)C(=O)c2ccc(S(=O)(=O)N(CC)c3ccccc3)cc2)c(=O)[nH]c1=O	ZINC000038140469	554263929	/nfs/dbraw/zinc/26/39/29/554263929.db2.gz	VDJWHWJQNCPQRO-UHFFFAOYSA-N	0	0	541.674	3.437	50	0		KGAARN
CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)OCc2csc(CC(=O)Nc3ccccc3C)n2)cc1	ZINC000038140476	554263952	/nfs/dbraw/zinc/26/39/52/554263952.db2.gz	ZKOCAJIZMYTYLP-UHFFFAOYSA-N	0	0	530.628	3.003	50	0		KGAARN
COc1cccc(NC(=O)CN(C)C(=O)c2cccc(S(=O)(=O)N3CCN(c4ccc(F)cc4)CC3)c2)c1	ZINC000038140486	554263980	/nfs/dbraw/zinc/26/39/80/554263980.db2.gz	UFLKVIAUOKBOGN-UHFFFAOYSA-N	0	0	540.617	3.056	50	0		KGAARN
CCN(CC(=O)Nc1c(F)cccc1F)C(=O)c1ccc(NC(=O)Cc2sc(N3CCCC3)nc2O)cc1	ZINC000038140487	554263912	/nfs/dbraw/zinc/26/39/12/554263912.db2.gz	NXUOUZFSIKKYOH-HXUWFJFHSA-N	0	0	543.596	3.488	50	0		KGAARN
CCN(CC(=O)Nc1c(F)cccc1F)C(=O)c1ccc(NC(=O)Cc2sc(N3CCCC3)nc2O)cc1	ZINC000038140488	554263846	/nfs/dbraw/zinc/26/38/46/554263846.db2.gz	NXUOUZFSIKKYOH-FQEVSTJZSA-N	0	0	543.596	3.488	50	0		KGAARN
COc1ccccc1CNC(=O)[C@@H](NC(=O)C1CCN(C(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1)C(C)C	ZINC000038140499	554263908	/nfs/dbraw/zinc/26/39/08/554263908.db2.gz	TZDNQXHJIUCEPM-UPVQGACJSA-N	0	0	544.693	3.090	50	0	biogenic	KGAARN
CCOc1ccc(CCNC(=O)COC(=O)C2CCN(S(=O)(=O)c3ccc(C)c(C)c3)CC2)cc1OCC	ZINC000038140768	554264151	/nfs/dbraw/zinc/26/41/51/554264151.db2.gz	WQDQHHINFFPIKJ-UHFFFAOYSA-N	0	0	546.686	3.404	50	0		KGAARN
Cc1ccccc1NC(=O)Cc1nc(COC(=O)CNS(=O)(=O)c2cccc(Br)c2)cs1	ZINC000038140779	554264222	/nfs/dbraw/zinc/26/42/22/554264222.db2.gz	GWGLPOLYVCZUHV-UHFFFAOYSA-N	0	0	538.445	3.417	50	0		KGAARN
CC(C)CN(C(=O)COC(=O)CCCc1nc2ccccc2s1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	ZINC000038140791	554264513	/nfs/dbraw/zinc/26/45/13/554264513.db2.gz	XONUTGJWDZBUPM-UHFFFAOYSA-N	0	0	549.653	3.332	50	0		KGAARN
CCN(CC)S(=O)(=O)c1ccc(N2CCN(C)CC2)c(NC(=O)CSCC(=O)Nc2cccc(C)c2)c1	ZINC000038140792	554264446	/nfs/dbraw/zinc/26/44/46/554264446.db2.gz	ZRXFXNXZXIPTPP-UHFFFAOYSA-N	0	0	547.747	3.088	50	0		KGAARN
COc1cccc(NC(=O)CN(C)C(=O)c2ccc(NC(=O)Cc3sc(N4CCCCC4)nc3O)cc2)c1	ZINC000038140794	554264423	/nfs/dbraw/zinc/26/44/23/554264423.db2.gz	YRLNDXMDFNJTSG-JOCHJYFZSA-N	0	0	537.642	3.218	50	0		KGAARN
COc1cccc(NC(=O)CN(C)C(=O)c2ccc(NC(=O)Cc3sc(N4CCCCC4)nc3O)cc2)c1	ZINC000038140795	554264529	/nfs/dbraw/zinc/26/45/29/554264529.db2.gz	YRLNDXMDFNJTSG-QFIPXVFZSA-N	0	0	537.642	3.218	50	0		KGAARN
CCCCn1c(N)c(N(Cc2ccccc2OC)C(=O)CSCC(=O)Nc2cccc(C)c2)c(=O)[nH]c1=O	ZINC000038140807	554264458	/nfs/dbraw/zinc/26/44/58/554264458.db2.gz	IMOPJBFKNPXFLT-UHFFFAOYSA-N	0	0	539.658	3.141	50	0		KGAARN
O=C(CCc1nc2ccccc2c(=O)[nH]1)N1CCN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1	ZINC000038140808	554264404	/nfs/dbraw/zinc/26/44/04/554264404.db2.gz	JXODUFZUVUXSDI-UHFFFAOYSA-N	0	0	528.940	3.061	50	0		KGAARN
COc1ccc(CCn2c3c(c(=O)[nH]c2=O)[C@](NC(=O)c2ccc(C(C)(C)C)cc2)(C(F)(F)F)C(=O)N3)cc1OC	ZINC000038141525	554264887	/nfs/dbraw/zinc/26/48/87/554264887.db2.gz	KKZXPKNNWWLGJN-HHHXNRCGSA-N	0	0	574.556	3.234	50	0		KGAARN
COc1ccc(CCn2c3c(c(=O)[nH]c2=O)[C@@](NC(=O)c2ccc(C(C)(C)C)cc2)(C(F)(F)F)C(=O)N3)cc1OC	ZINC000038141526	554264885	/nfs/dbraw/zinc/26/48/85/554264885.db2.gz	KKZXPKNNWWLGJN-MHZLTWQESA-N	0	0	574.556	3.234	50	0		KGAARN
CC(=O)OC(C)(C)/C=C/C(=O)[C@](C)(O)[C@@H]1[C@H](O)C[C@@]2(C)[C@H]3CC=C4[C@H](CC[C@@H](O)C4(C)C)[C@]3(CO)C(=O)C[C@]12C	ZINC000038141744	554265161	/nfs/dbraw/zinc/26/51/61/554265161.db2.gz	DGIGXLXLGBAJJN-CKWKLXOWSA-N	0	0	560.728	3.293	50	0		KGAARN
CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl	ZINC000038144617	554266198	/nfs/dbraw/zinc/26/61/98/554266198.db2.gz	PTILUJTVEPSKQN-UHFFFAOYSA-N	0	0	554.065	3.247	50	0		KGAARN
CC(C)(C)c1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc4c(c3)C(=O)N(Cc3ccncc3)C4=O)CC2)cc1	ZINC000038144620	554266149	/nfs/dbraw/zinc/26/61/49/554266149.db2.gz	JUPKRAYQYDKUNL-UHFFFAOYSA-N	0	0	546.649	3.322	50	0		KGAARN
O=C(CSc1nc2ccccc2c(=O)n1CCCN1CCOCC1)Nc1cccc(S(=O)(=O)N2CCCCCC2)c1	ZINC000038145494	554267380	/nfs/dbraw/zinc/26/73/80/554267380.db2.gz	CXKDPEIDELMYIG-UHFFFAOYSA-N	0	0	599.779	3.414	50	0		KGAARN
COc1ccc(N(CC(=O)NCCc2ccc(OC)c(OC)c2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1	ZINC000038145711	554267640	/nfs/dbraw/zinc/26/76/40/554267640.db2.gz	MDDJPNBKUBXBCB-UHFFFAOYSA-N	0	0	544.626	3.284	50	0		KGAARN
CCc1nc2ccccc2c(C(=O)OCC(=O)N(CC(C)C)c2c(N)n(Cc3ccccc3)c(=O)[nH]c2=O)c1C	ZINC000038145825	554268126	/nfs/dbraw/zinc/26/81/26/554268126.db2.gz	MKNLDYHRVJHSHU-UHFFFAOYSA-N	0	0	543.624	3.432	50	0		KGAARN
CCCCCc1ccc(C(=O)CCC(=O)OCC(=O)N(CC)c2c(N)n(Cc3ccccc3)c(=O)[nH]c2=O)cc1	ZINC000038145845	554268290	/nfs/dbraw/zinc/26/82/90/554268290.db2.gz	HYYNUHRATCNMRA-UHFFFAOYSA-N	0	0	548.640	3.459	50	0		KGAARN
COc1cc(/C=C/C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3C)CC2)cc(Cl)c1OC	ZINC000038145886	554268529	/nfs/dbraw/zinc/26/85/29/554268529.db2.gz	PRICAQRXQNTVFB-SOFGYWHQSA-N	0	0	537.034	3.064	50	0		KGAARN
COc1ccc(N2C(=O)c3ccccc3/C(=C\NNS(=O)(=O)c3cc(C)ccc3C)C2=O)cc1OC	ZINC000038146206	554269532	/nfs/dbraw/zinc/26/95/32/554269532.db2.gz	SKFOVNFLUGXEKS-RCCKNPSSSA-N	0	0	507.568	3.332	50	0		KGAARN
O=C(NC(=S)N1CCN(C(c2ccccc2)c2ccccc2)CC1)c1ccc(S(=O)(=O)N2CCOCC2)cc1	ZINC000038146227	554269844	/nfs/dbraw/zinc/26/98/44/554269844.db2.gz	LTNMGTUDIQIHLM-UHFFFAOYSA-N	0	0	564.733	3.129	50	0		KGAARN
O=C1CCCN1CCCNc1nc2c(S(=O)(=O)c3ccc(Br)cc3)nnn2c2ccccc21	ZINC000038146970	554269841	/nfs/dbraw/zinc/26/98/41/554269841.db2.gz	ALPBOUKITXBOCV-UHFFFAOYSA-N	0	0	529.420	3.297	50	0		KGAARN
COc1ccc(-n2nc(C(=O)NCC(=O)N3CCN(c4cccc(Cl)c4)CC3)c3ccccc3c2=O)c(OC)c1	ZINC000038147004	554270233	/nfs/dbraw/zinc/27/02/33/554270233.db2.gz	SWMROFPDELSDBZ-UHFFFAOYSA-N	0	0	562.026	3.135	50	0		KGAARN
COc1ccc(-n2nc(C(=O)NCC(=O)Nc3cc(OC)c(OC)c(OC)c3)c3ccccc3c2=O)cc1Cl	ZINC000038147028	554270180	/nfs/dbraw/zinc/27/01/80/554270180.db2.gz	AOJBMXJNBHESCG-UHFFFAOYSA-N	0	0	552.971	3.442	50	0		KGAARN
CCN(CCCNC(=O)CNC(=O)c1nn(-c2ccc(OC)c(OC)c2)c(=O)c2ccccc21)c1ccccc1	ZINC000038147042	554270166	/nfs/dbraw/zinc/27/01/66/554270166.db2.gz	HPCKSAFKBMIFMK-UHFFFAOYSA-N	0	0	543.624	3.166	50	0		KGAARN
COc1ccc(-n2nc(C(=O)NCC(=O)NCCc3ccc(OC)c(OC)c3)c3ccccc3c2=O)cc1Cl	ZINC000038147068	554270108	/nfs/dbraw/zinc/27/01/08/554270108.db2.gz	BHUDBFKLUMEWJT-UHFFFAOYSA-N	0	0	550.999	3.154	50	0		KGAARN
O=C(NCC1N=NC(=S)N1c1ccc(Br)cc1)c1ccc(S(=O)(=O)N2CCCCC2)cc1	ZINC000038148314	554270485	/nfs/dbraw/zinc/27/04/85/554270485.db2.gz	RGEFBJMDXICJRS-UHFFFAOYSA-N	0	0	536.477	3.423	50	0		KGAARN
COc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2CCCC(=O)NC[C@@H]2CCCO2)c(OC)c1	ZINC000038150020	554270879	/nfs/dbraw/zinc/27/08/79/554270879.db2.gz	NQGFELFASZEDON-IBGZPJMESA-N	0	0	540.642	3.220	50	0		KGAARN
COc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2CCCC(=O)NC[C@H]2CCCO2)c(OC)c1	ZINC000038150021	554270883	/nfs/dbraw/zinc/27/08/83/554270883.db2.gz	NQGFELFASZEDON-LJQANCHMSA-N	0	0	540.642	3.220	50	0		KGAARN
COCCNC(=O)c1ccc2c(c1)nc(SCC(=O)Nc1ccc(OC)cc1OC)n(Cc1ccco1)c2=O	ZINC000038150026	554270886	/nfs/dbraw/zinc/27/08/86/554270886.db2.gz	YIWOKLYPOFGRJO-UHFFFAOYSA-N	0	0	552.609	3.162	50	0		KGAARN
COc1ccc(CCNC(=O)c2cc(-c3ccncc3)nc3ccc(S(=O)(=O)N4CCOCC4)cc32)cc1OC	ZINC000038150046	554271208	/nfs/dbraw/zinc/27/12/08/554271208.db2.gz	JMLRJTDEIQTOOL-UHFFFAOYSA-N	0	0	562.648	3.307	50	0		KGAARN
COc1ccc(CN2CCN(C(=O)c3ccc(CNS(=O)(=O)c4ccc(C)cc4)cc3)CC2)c(OC)c1OC	ZINC000038150048	554271259	/nfs/dbraw/zinc/27/12/59/554271259.db2.gz	RDSSXTFFZIQXFY-UHFFFAOYSA-N	0	0	553.681	3.457	50	0		KGAARN
COCCNC(=O)c1ccc(N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c(NC(=O)c2cc(OC)cc(OC)c2)c1	ZINC000038150061	554271233	/nfs/dbraw/zinc/27/12/33/554271233.db2.gz	ZEWXXHRGZPMWLL-KNQAVFIVSA-N	0	0	546.624	3.118	50	0		KGAARN
COCCNC(=O)c1ccc(N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c(NC(=O)c2ccc(Br)o2)c1	ZINC000038150064	554271271	/nfs/dbraw/zinc/27/12/71/554271271.db2.gz	CVGDOVWPGVQUHZ-AEFFLSMTSA-N	0	0	555.429	3.456	50	0		KGAARN
COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3ccccc3C(=O)N3CCOCC3)cc2)cc1OC	ZINC000038151020	554271509	/nfs/dbraw/zinc/27/15/09/554271509.db2.gz	QYLABLGNELJXFR-UHFFFAOYSA-N	0	0	539.610	3.254	50	0		KGAARN
COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2C(=O)N2CCOCC2)c2ccc(F)cc2)cc1	ZINC000038151031	554271821	/nfs/dbraw/zinc/27/18/21/554271821.db2.gz	OXELLXWHOPASHM-UHFFFAOYSA-N	0	0	527.574	3.141	50	0		KGAARN
O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC(F)(F)F)c1ccc(N2CCCC2=O)cc1	ZINC000038151080	554271691	/nfs/dbraw/zinc/27/16/91/554271691.db2.gz	NUQRZCQCNZXQOX-UHFFFAOYSA-N	0	0	527.521	3.028	50	0		KGAARN
CCOC(=O)c1c(C)c(C(=O)N(C)C)sc1NC(=O)COC(=O)CNC(=O)c1ccc(Cl)cc1Cl	ZINC000038151093	554271701	/nfs/dbraw/zinc/27/17/01/554271701.db2.gz	RNYLDQZIDITITG-UHFFFAOYSA-N	0	0	544.413	3.154	50	0		KGAARN
CCCCn1c(SCC(=O)Nc2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)nnc1[C@@H](CC)N(C)C	ZINC000038151094	554271659	/nfs/dbraw/zinc/27/16/59/554271659.db2.gz	ZKMJRPPMUHAAQX-HXUWFJFHSA-N	0	0	538.740	3.151	50	0		KGAARN
CCCCn1c(SCC(=O)Nc2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)nnc1[C@H](CC)N(C)C	ZINC000038151095	554271799	/nfs/dbraw/zinc/27/17/99/554271799.db2.gz	ZKMJRPPMUHAAQX-FQEVSTJZSA-N	0	0	538.740	3.151	50	0		KGAARN
CN(CC(=O)Nc1ccc(F)cc1)C(=O)c1cccc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)c1	ZINC000038151099	554271788	/nfs/dbraw/zinc/27/17/88/554271788.db2.gz	LUZLBCIQVAOQOX-UHFFFAOYSA-N	0	0	528.581	3.186	50	0		KGAARN
Cc1ccc(-c2cc(C(=O)OCC(=O)N(C)c3c(N)n(Cc4ccccc4)c(=O)[nH]c3=O)c3ccccc3n2)o1	ZINC000038152199	554271938	/nfs/dbraw/zinc/27/19/38/554271938.db2.gz	HJSKSSMQSXETFN-UHFFFAOYSA-N	0	0	539.548	3.104	50	0		KGAARN
COc1ccc(CN(C)C(=O)c2ccc(NC(=O)Cc3sc(N4CCCC4)nc3O)cc2)c(OC)c1OC	ZINC000038152201	554272023	/nfs/dbraw/zinc/27/20/23/554272023.db2.gz	NGRLJNDSHXZAFI-OAQYLSRUSA-N	0	0	540.642	3.407	50	0		KGAARN
COc1ccc(CN(C)C(=O)c2ccc(NC(=O)Cc3sc(N4CCCC4)nc3O)cc2)c(OC)c1OC	ZINC000038152202	554271963	/nfs/dbraw/zinc/27/19/63/554271963.db2.gz	NGRLJNDSHXZAFI-NRFANRHFSA-N	0	0	540.642	3.407	50	0		KGAARN
Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCCC1	ZINC000038152206	554271948	/nfs/dbraw/zinc/27/19/48/554271948.db2.gz	SIKPENHLXVDOSV-UHFFFAOYSA-N	0	0	537.480	3.319	50	0		KGAARN
Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)c3cc(S(=O)(=O)NCc4ccccc4)ccc3C)CC2)c1	ZINC000038152238	554272324	/nfs/dbraw/zinc/27/23/24/554272324.db2.gz	LSZYGJKNNLPIES-UHFFFAOYSA-N	0	0	541.695	3.237	50	0		KGAARN
CC(C)CN(C(=O)COC(=O)CCC(=O)c1ccc(Cl)cc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	ZINC000038152304	554272523	/nfs/dbraw/zinc/27/25/23/554272523.db2.gz	DKZZRYCJAQWEST-UHFFFAOYSA-N	0	0	541.004	3.016	50	0		KGAARN
O=C(NC[C@@H](c1cccs1)N1CCOCC1)C1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1	ZINC000038152369	554272823	/nfs/dbraw/zinc/27/28/23/554272823.db2.gz	XDVOTIHQLQQIPJ-FQEVSTJZSA-N	0	0	531.622	3.357	50	0		KGAARN
O=C(NC[C@H](c1cccs1)N1CCOCC1)C1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1	ZINC000038152370	554272750	/nfs/dbraw/zinc/27/27/50/554272750.db2.gz	XDVOTIHQLQQIPJ-HXUWFJFHSA-N	0	0	531.622	3.357	50	0		KGAARN
COc1cc2ccccc2cc1C(=O)OCC(=O)N(CC(C)C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	ZINC000038152758	554272858	/nfs/dbraw/zinc/27/28/58/554272858.db2.gz	GPQWLVYOSNEIOJ-UHFFFAOYSA-N	0	0	530.581	3.175	50	0		KGAARN
CS(=O)(=O)c1ccc(Cl)c(NC(=O)COC(=O)CCCN2C(=O)c3cccc4cccc(c43)C2=O)c1	ZINC000038152764	554272762	/nfs/dbraw/zinc/27/27/62/554272762.db2.gz	RPDWLEWZNUUWFB-UHFFFAOYSA-N	0	0	528.970	3.455	50	0		KGAARN
COc1ccc(CN(C)C(=O)c2cccc(S(=O)(=O)N3CCN(c4ccccc4)CC3)c2)c(OC)c1OC	ZINC000038152766	554272833	/nfs/dbraw/zinc/27/28/33/554272833.db2.gz	ZTXMZYMHSUHPTM-UHFFFAOYSA-N	0	0	539.654	3.496	50	0		KGAARN
CCCCn1c(N)c(N(CC(C)C)C(=O)c2ccc(N(C)S(=O)(=O)c3ccc(C)cc3)cc2)c(=O)[nH]c1=O	ZINC000038152775	554273029	/nfs/dbraw/zinc/27/30/29/554273029.db2.gz	ATFOHRTZYPPJOM-UHFFFAOYSA-N	0	0	541.674	3.355	50	0		KGAARN
O=C(NC[C@@H](c1cccs1)N1CCOCC1)C1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1	ZINC000038152785	554273098	/nfs/dbraw/zinc/27/30/98/554273098.db2.gz	TWXXVVBHTURDFD-IBGZPJMESA-N	0	0	531.622	3.357	50	0		KGAARN
O=C(NC[C@H](c1cccs1)N1CCOCC1)C1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1	ZINC000038152786	554273120	/nfs/dbraw/zinc/27/31/20/554273120.db2.gz	TWXXVVBHTURDFD-LJQANCHMSA-N	0	0	531.622	3.357	50	0		KGAARN
O=C(COC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F)Nc1c(Cl)cccc1C(F)(F)F	ZINC000038152798	554273117	/nfs/dbraw/zinc/27/31/17/554273117.db2.gz	HXGZQYVBZUMUDK-UHFFFAOYSA-N	0	0	524.876	3.314	50	0		KGAARN
CCn1cc(/C=C(\NC(=O)c2cc(OC)c(OC)c(OC)c2)C(=O)NCCCN2CCOCC2)c2ccccc21	ZINC000038152815	554273460	/nfs/dbraw/zinc/27/34/60/554273460.db2.gz	MZSBOCUDCYSOQL-ULJHMMPZSA-N	0	0	550.656	3.296	50	0		KGAARN
O=C(c1ccc(S(=O)(=O)N2CCCCC2)cc1)N1CCN(CCN2C(=O)c3cccc4cccc(c43)C2=O)CC1	ZINC000038152909	554273473	/nfs/dbraw/zinc/27/34/73/554273473.db2.gz	DFOSWWAVLWHXHL-UHFFFAOYSA-N	0	0	560.676	3.068	50	0		KGAARN
CCOC(=O)CC(=O)C[C@H](O)C=Cc1c(-c2ccc(F)cc2)nc(N(C)S(C)(=O)=O)nc1C(C)C	ZINC000038390944	554274686	/nfs/dbraw/zinc/27/46/86/554274686.db2.gz	ABQHNLSQARCFAU-IENJSVCTSA-N	0	0	507.584	3.088	50	0		KGAARN
CN(CCCNC(=O)C1=NOC2(C1)CCN(S(=O)(=O)c1ccc(Cl)s1)CC2)c1ccccc1	ZINC000038405901	554274665	/nfs/dbraw/zinc/27/46/65/554274665.db2.gz	RQPTVOACPLFGAN-UHFFFAOYSA-N	0	0	511.069	3.344	50	0		KGAARN
CN1CCN(c2nc3ccc(NC(=O)[C@@H]4CCCN(S(=O)(=O)c5cccs5)C4)cc3s2)CC1	ZINC000038511483	554274975	/nfs/dbraw/zinc/27/49/75/554274975.db2.gz	HPZYDGLUMMRNNI-MRXNPFEDSA-N	0	0	505.691	3.149	50	0		KGAARN
CN1CCN(c2nc3ccc(NC(=O)[C@H]4CCCN(S(=O)(=O)c5cccs5)C4)cc3s2)CC1	ZINC000038511485	554274883	/nfs/dbraw/zinc/27/48/83/554274883.db2.gz	HPZYDGLUMMRNNI-INIZCTEOSA-N	0	0	505.691	3.149	50	0		KGAARN
COCCOC(=O)C1=C(N)Oc2c3ccccc3cc(O)c2[C@]12C(=O)Nc1ccc(Br)cc12	ZINC000038549503	554275180	/nfs/dbraw/zinc/27/51/80/554275180.db2.gz	JLRGPGPLPCPPTH-DEOSSOPVSA-N	0	0	511.328	3.298	50	0	biogenic	KGAARN
COCCOC(=O)C1=C(N)Oc2c3ccccc3cc(O)c2[C@@]12C(=O)Nc1ccc(Br)cc12	ZINC000038549505	554275126	/nfs/dbraw/zinc/27/51/26/554275126.db2.gz	JLRGPGPLPCPPTH-XMMPIXPASA-N	0	0	511.328	3.298	50	0	biogenic	KGAARN
O=C(Nc1ccc2c(c1)OCO2)[C@H]1CC(=O)Nc2nc(N3CCC(Cc4ccccc4)CC3)[nH]c(=O)c21	ZINC000038828131	554277871	/nfs/dbraw/zinc/27/78/71/554277871.db2.gz	JCSCQHBNFANYBY-IBGZPJMESA-N	0	0	501.543	3.022	50	0		KGAARN
O=C(Nc1ccc2c(c1)OCO2)[C@@H]1CC(=O)Nc2nc(N3CCC(Cc4ccccc4)CC3)[nH]c(=O)c21	ZINC000038828132	554277947	/nfs/dbraw/zinc/27/79/47/554277947.db2.gz	JCSCQHBNFANYBY-LJQANCHMSA-N	0	0	501.543	3.022	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(c3cccc(OC)c3)[C@H](C)C2)N(C)C(=O)N[C@@H]1c1ccc(O)c(OC)c1	ZINC000039323247	554279034	/nfs/dbraw/zinc/27/90/34/554279034.db2.gz	KUONUKGHCZMAQZ-WXTAPIANSA-N	0	0	524.618	3.133	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(c3cccc(OC)c3)[C@H](C)C2)N(C)C(=O)N[C@H]1c1ccc(O)c(OC)c1	ZINC000039323248	554278947	/nfs/dbraw/zinc/27/89/47/554278947.db2.gz	KUONUKGHCZMAQZ-DWXRJYCRSA-N	0	0	524.618	3.133	50	0		KGAARN
CC(C)(C)OC(=O)N1CCN(C(=O)OC(C)(C)C)CC[NH+](CC(=O)[O-])CCN(C(=O)OC(C)(C)C)CC1	ZINC000039959762	554281712	/nfs/dbraw/zinc/28/17/12/554281712.db2.gz	NDHHFZCDHYVCTI-UHFFFAOYSA-N	0	0	530.663	3.098	50	0		KGAARN
COc1ccc(C(=O)N(CC(=O)N2CCN(c3ccc(-c4ccc(OC)c(OC)c4)nn3)CC2)C2CC2)cc1	ZINC000040401980	554284881	/nfs/dbraw/zinc/28/48/81/554284881.db2.gz	UYAHISZYXJVAPD-UHFFFAOYSA-N	0	0	531.613	3.123	50	0		KGAARN
COc1ccc(OC[C@@H](O)CN(Cc2nc3sc(C(=O)OC(C)C)c(C)c3c(=O)[nH]2)C2CC2)cc1	ZINC000040404894	554284843	/nfs/dbraw/zinc/28/48/43/554284843.db2.gz	YPMMRMCZYUCPDF-KRWDZBQOSA-N	0	0	501.605	3.271	50	0		KGAARN
COc1ccc(OC[C@H](O)CN(Cc2nc3sc(C(=O)OC(C)C)c(C)c3c(=O)[nH]2)C2CC2)cc1	ZINC000040404897	554284970	/nfs/dbraw/zinc/28/49/70/554284970.db2.gz	YPMMRMCZYUCPDF-QGZVFWFLSA-N	0	0	501.605	3.271	50	0		KGAARN
COCCCN(Cc1nc2sc(C(=O)OC(C)C)c(C)c2c(=O)[nH]1)C[C@@H](O)COc1ccccc1C	ZINC000040404900	554284809	/nfs/dbraw/zinc/28/48/09/554284809.db2.gz	CURPWRULFWYYHM-LJQANCHMSA-N	0	0	517.648	3.445	50	0		KGAARN
COCCCN(Cc1nc2sc(C(=O)OC(C)C)c(C)c2c(=O)[nH]1)C[C@H](O)COc1ccccc1C	ZINC000040404903	554284990	/nfs/dbraw/zinc/28/49/90/554284990.db2.gz	CURPWRULFWYYHM-IBGZPJMESA-N	0	0	517.648	3.445	50	0		KGAARN
CC(=O)c1ccc(N2CCN(S(=O)(=O)c3cc4c(cc3Br)CCN4C(C)=O)CC2)cc1	ZINC000040450161	554284860	/nfs/dbraw/zinc/28/48/60/554284860.db2.gz	ZCZRJIWUQBRULF-UHFFFAOYSA-N	0	0	506.422	3.072	50	0		KGAARN
COc1ccc(NC(=O)CCS(=O)(=O)c2cc3c(cc2Br)CCN3C(C)=O)c(OC)c1	ZINC000040450218	554284956	/nfs/dbraw/zinc/28/49/56/554284956.db2.gz	LVKWTPAAYIVFIT-UHFFFAOYSA-N	0	0	511.394	3.178	50	0		KGAARN
CCC(=O)N1CCc2cc(Br)c(S(=O)(=O)N3CCN(c4ccc(C(C)=O)cc4)CC3)cc21	ZINC000040450306	554285129	/nfs/dbraw/zinc/28/51/29/554285129.db2.gz	IFSILHRXWLLTOW-UHFFFAOYSA-N	0	0	520.449	3.462	50	0		KGAARN
CCC(=O)N1CCc2cc(Br)c(S(=O)(=O)N3CCN(c4ccccc4OC)CC3)cc21	ZINC000040450325	554285196	/nfs/dbraw/zinc/28/51/96/554285196.db2.gz	XUXVSZAOLQZQER-UHFFFAOYSA-N	0	0	508.438	3.268	50	0		KGAARN
CCC(=O)N1CCc2cc(Br)c(S(=O)(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)cc21	ZINC000040450350	554285219	/nfs/dbraw/zinc/28/52/19/554285219.db2.gz	ALNQVFSXCOQULA-UHFFFAOYSA-N	0	0	519.421	3.347	50	0		KGAARN
COc1ccc(CCNS(=O)(=O)c2cc3c(cc2Br)CCN3C(=O)C2CC2)cc1OC	ZINC000040450417	554285156	/nfs/dbraw/zinc/28/51/56/554285156.db2.gz	QLVJQANBHJUGRZ-UHFFFAOYSA-N	0	0	509.422	3.286	50	0		KGAARN
COc1ccccc1N1CCN(S(=O)(=O)c2cc3c(cc2Br)CCN3C(=O)C2CC2)CC1	ZINC000040450429	554285145	/nfs/dbraw/zinc/28/51/45/554285145.db2.gz	ZPOAVZLLWJOHHP-UHFFFAOYSA-N	0	0	520.449	3.268	50	0		KGAARN
COc1cccc(N2CCN(S(=O)(=O)c3cc4c(cc3Br)CCN4C(=O)C3CC3)CC2)c1	ZINC000040450430	554285217	/nfs/dbraw/zinc/28/52/17/554285217.db2.gz	NNIKLZOSDKXQBJ-UHFFFAOYSA-N	0	0	520.449	3.268	50	0		KGAARN
O=C(C1CC1)N1CCc2cc(Br)c(S(=O)(=O)N3CCN(Cc4ccccc4)CC3)cc21	ZINC000040450460	554285503	/nfs/dbraw/zinc/28/55/03/554285503.db2.gz	ICMHNINIYAVUKG-UHFFFAOYSA-N	0	0	504.450	3.255	50	0		KGAARN
O=C(C1CC1)N1CCc2cc(Br)c(S(=O)(=O)N3CCN(c4ccc(F)cc4)CC3)cc21	ZINC000040450477	554285425	/nfs/dbraw/zinc/28/54/25/554285425.db2.gz	MRJCSKNVWZKNJS-UHFFFAOYSA-N	0	0	508.413	3.398	50	0		KGAARN
O=C(C1CC1)N1CCc2cc(Br)c(S(=O)(=O)N3CCN(c4ccccc4F)CC3)cc21	ZINC000040450498	554285432	/nfs/dbraw/zinc/28/54/32/554285432.db2.gz	XCEPEOKNDVAZAW-UHFFFAOYSA-N	0	0	508.413	3.398	50	0		KGAARN
O=C(C1CC1)N1CCc2cc(Br)c(S(=O)(=O)NCCN3CCCc4ccccc43)cc21	ZINC000040450551	554285443	/nfs/dbraw/zinc/28/54/43/554285443.db2.gz	FYYWGJYWOQUGCV-UHFFFAOYSA-N	0	0	504.450	3.479	50	0		KGAARN
CC(=O)N1c2cc(S(=O)(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)c(Br)cc2C[C@@H]1C	ZINC000040450734	554285667	/nfs/dbraw/zinc/28/56/67/554285667.db2.gz	DOMPSPWJAAGBOJ-ZDUSSCGKSA-N	0	0	519.421	3.345	50	0		KGAARN
CC(=O)N1c2cc(S(=O)(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)c(Br)cc2C[C@H]1C	ZINC000040450735	554285613	/nfs/dbraw/zinc/28/56/13/554285613.db2.gz	DOMPSPWJAAGBOJ-CYBMUJFWSA-N	0	0	519.421	3.345	50	0		KGAARN
CCC(=O)N1CCc2cc(Br)c(S(=O)(=O)CCC(=O)NCc3ccc(OC)cc3)cc21	ZINC000040450775	554285764	/nfs/dbraw/zinc/28/57/64/554285764.db2.gz	VJAHBWIVYZKEIZ-UHFFFAOYSA-N	0	0	509.422	3.237	50	0		KGAARN
CCC(=O)N1CCc2cc(Br)c(S(=O)(=O)CCC(=O)NCc3ccccc3OC)cc21	ZINC000040450823	554285926	/nfs/dbraw/zinc/28/59/26/554285926.db2.gz	YDGXTTWSWGNEOW-UHFFFAOYSA-N	0	0	509.422	3.237	50	0		KGAARN
CCC(=O)N1CCc2cc(Br)c(S(=O)(=O)CCC(=O)NCc3cccc(OC)c3)cc21	ZINC000040450824	554286000	/nfs/dbraw/zinc/28/60/00/554286000.db2.gz	AMTFJJNDBSYDMF-UHFFFAOYSA-N	0	0	509.422	3.237	50	0		KGAARN
CC(=O)N1CCc2cc(Br)c(S(=O)(=O)N3CCC(C(=O)NCc4ccccc4)CC3)cc21	ZINC000040450846	554285981	/nfs/dbraw/zinc/28/59/81/554285981.db2.gz	DVPGFXJZSHCOOD-UHFFFAOYSA-N	0	0	520.449	3.075	50	0		KGAARN
CCC(=O)N1CCc2cc(Br)c(S(=O)(=O)N3CCC(C(=O)NC(C)(C)C)CC3)cc21	ZINC000040450847	554285945	/nfs/dbraw/zinc/28/59/45/554285945.db2.gz	YLSFVAOUQYAXCJ-UHFFFAOYSA-N	0	0	500.459	3.064	50	0		KGAARN
CCC(=O)N1CCc2cc(Br)c(S(=O)(=O)N3CCC(C(=O)NC4CCCC4)CC3)cc21	ZINC000040450848	554285915	/nfs/dbraw/zinc/28/59/15/554285915.db2.gz	QFXQSXMUVCLVLC-UHFFFAOYSA-N	0	0	512.470	3.208	50	0		KGAARN
CCC(=O)N1CCc2cc(Br)c(S(=O)(=O)N3CCC(C(=O)NCCC(C)C)CC3)cc21	ZINC000040450852	554285949	/nfs/dbraw/zinc/28/59/49/554285949.db2.gz	MOXBGHYSJCRHLV-UHFFFAOYSA-N	0	0	514.486	3.311	50	0		KGAARN
CCC(=O)N1CCc2cc(Br)c(S(=O)(=O)N3CCC(C(=O)N(CC)CC)CC3)cc21	ZINC000040450855	554286091	/nfs/dbraw/zinc/28/60/91/554286091.db2.gz	IUODCVRDOROBPE-UHFFFAOYSA-N	0	0	500.459	3.017	50	0		KGAARN
CCCCNC(=O)C1CCN(S(=O)(=O)c2cc3c(cc2Br)CCN3C(=O)CC)CC1	ZINC000040450858	554286100	/nfs/dbraw/zinc/28/61/00/554286100.db2.gz	ZZNFPGBXVIVZDZ-UHFFFAOYSA-N	0	0	500.459	3.065	50	0		KGAARN
CCC(=O)N1CCc2cc(Br)c(S(=O)(=O)N3CCC[C@H](C(=O)NC(C)(C)C)C3)cc21	ZINC000040450859	554286128	/nfs/dbraw/zinc/28/61/28/554286128.db2.gz	ZXRYXUPEBJIROY-HNNXBMFYSA-N	0	0	500.459	3.064	50	0		KGAARN
CCC(=O)N1CCc2cc(Br)c(S(=O)(=O)N3CCC[C@@H](C(=O)NC(C)(C)C)C3)cc21	ZINC000040450860	554286107	/nfs/dbraw/zinc/28/61/07/554286107.db2.gz	ZXRYXUPEBJIROY-OAHLLOKOSA-N	0	0	500.459	3.064	50	0		KGAARN
COc1ccc(CNC(=O)CCS(=O)(=O)c2cc3c(cc2Br)CCN3C(=O)C2CC2)cc1	ZINC000040450909	554286090	/nfs/dbraw/zinc/28/60/90/554286090.db2.gz	CKWSRMAGHWVXBC-UHFFFAOYSA-N	0	0	521.433	3.237	50	0		KGAARN
O=C(CCS(=O)(=O)c1cc2c(cc1Br)CCN2C(=O)C1CC1)N1CCc2ccccc2C1	ZINC000040450914	554286149	/nfs/dbraw/zinc/28/61/49/554286149.db2.gz	VUOCERBRMYRFMA-UHFFFAOYSA-N	0	0	517.445	3.497	50	0		KGAARN
O=C(CCS(=O)(=O)c1cc2c(cc1Br)CCN2C(=O)C1CC1)NCCc1ccccc1	ZINC000040450918	554286092	/nfs/dbraw/zinc/28/60/92/554286092.db2.gz	SKTUFLPJDXPFHO-UHFFFAOYSA-N	0	0	505.434	3.271	50	0		KGAARN
COc1cccc(CNC(=O)CCS(=O)(=O)c2cc3c(cc2Br)CCN3C(=O)C2CC2)c1	ZINC000040450923	554286339	/nfs/dbraw/zinc/28/63/39/554286339.db2.gz	HLTWBSBDFCLDSU-UHFFFAOYSA-N	0	0	521.433	3.237	50	0		KGAARN
O=C(CCS(=O)(=O)c1cc2c(cc1Br)CCN2C(=O)C1CC1)NCc1ccc(F)cc1	ZINC000040450924	554286371	/nfs/dbraw/zinc/28/63/71/554286371.db2.gz	KHAGBYFBPSBHOR-UHFFFAOYSA-N	0	0	509.397	3.368	50	0		KGAARN
COc1cc(NC(=O)CCS(=O)(=O)c2cc3c(cc2Br)CCN3C(C)=O)cc(OC)c1	ZINC000040454617	554286400	/nfs/dbraw/zinc/28/64/00/554286400.db2.gz	DXFWHLAOFOSSEP-UHFFFAOYSA-N	0	0	511.394	3.178	50	0		KGAARN
CCN(CCNC(=O)CCS(=O)(=O)c1cc2c(cc1Br)CCN2C(C)=O)c1ccccc1	ZINC000040454620	554286325	/nfs/dbraw/zinc/28/63/25/554286325.db2.gz	NWZKYKAQRSSVLI-UHFFFAOYSA-N	0	0	522.465	3.165	50	0		KGAARN
COc1cc(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCCCCC2)cc(OC)c1OC	ZINC000040476186	554286631	/nfs/dbraw/zinc/28/66/31/554286631.db2.gz	ZQZMSRDZGUGFJT-UHFFFAOYSA-N	0	0	533.647	3.366	50	0		KGAARN
COc1cc(OC)cc(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCCCCC2)c1	ZINC000040476188	554286611	/nfs/dbraw/zinc/28/66/11/554286611.db2.gz	JCPCSOGEILHTBC-UHFFFAOYSA-N	0	0	503.621	3.357	50	0		KGAARN
COc1ccc(OCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCCCCC2)cc1	ZINC000040476194	554286673	/nfs/dbraw/zinc/28/66/73/554286673.db2.gz	XHAZLCDPYWQSED-UHFFFAOYSA-N	0	0	503.621	3.114	50	0		KGAARN
CCOC(=O)c1c(C)[nH]c(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCCCCC2)c1C	ZINC000040476205	554286598	/nfs/dbraw/zinc/28/65/98/554286598.db2.gz	MNQDEEHHAQSUMW-UHFFFAOYSA-N	0	0	532.663	3.462	50	0		KGAARN
O=C(CCn1cnc2ccccc21)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCCC1	ZINC000040476209	554286669	/nfs/dbraw/zinc/28/66/69/554286669.db2.gz	OUZVTNJPHGDJTD-UHFFFAOYSA-N	0	0	511.648	3.466	50	0		KGAARN
Cc1cc(C)c(S(=O)(=O)N2CCN(Cc3cc(=O)n4nc(-c5cccs5)sc4n3)CC2)cc1C	ZINC000041077420	554292191	/nfs/dbraw/zinc/29/21/91/554292191.db2.gz	CHMZTABJYFCKHT-UHFFFAOYSA-N	0	0	515.686	3.311	50	0		KGAARN
Cc1ccc(S(=O)(=O)N2CCN(Cc3cc(=O)n4nc(-c5cccs5)sc4n3)CC2)c(C)c1	ZINC000041077426	554292513	/nfs/dbraw/zinc/29/25/13/554292513.db2.gz	DCKKPFPABZURGL-UHFFFAOYSA-N	0	0	501.659	3.003	50	0		KGAARN
Cc1ccc(C)c(S(=O)(=O)N2CCN(Cc3cc(=O)n4nc(-c5cccs5)sc4n3)CC2)c1	ZINC000041077427	554292492	/nfs/dbraw/zinc/29/24/92/554292492.db2.gz	URCRSFZPQXTLHR-UHFFFAOYSA-N	0	0	501.659	3.003	50	0		KGAARN
O=c1cc(CN2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)nc2sc(-c3cccs3)nn21	ZINC000041077429	554292502	/nfs/dbraw/zinc/29/25/02/554292502.db2.gz	IKZLNXQIUJWJHB-UHFFFAOYSA-N	0	0	514.079	3.101	50	0		KGAARN
COc1ccc(NC(=O)N2CCN(Cc3cc(=O)n4nc(-c5cccs5)sc4n3)CC2)c(OC)c1	ZINC000041077434	554292484	/nfs/dbraw/zinc/29/24/84/554292484.db2.gz	KJBMPHGGQCKMRR-UHFFFAOYSA-N	0	0	512.617	3.246	50	0		KGAARN
COc1ccc(OC)c(NC(=O)N2CCN(Cc3cc(=O)n4nc(-c5cccs5)sc4n3)CC2)c1	ZINC000041077439	554292517	/nfs/dbraw/zinc/29/25/17/554292517.db2.gz	VZKVABREULJHEV-UHFFFAOYSA-N	0	0	512.617	3.246	50	0		KGAARN
COc1cc(NC(=O)N2CCN(Cc3cc(=O)n4nc(-c5cccs5)sc4n3)CC2)cc(OC)c1	ZINC000041077441	554292449	/nfs/dbraw/zinc/29/24/49/554292449.db2.gz	PEEIWRDZLUHGQL-UHFFFAOYSA-N	0	0	512.617	3.246	50	0		KGAARN
COc1ccc(NC(=O)N2CCN(Cc3cc(=O)n4nc(-c5cccc(F)c5)sc4n3)CC2)c(OC)c1	ZINC000041077451	554292544	/nfs/dbraw/zinc/29/25/44/554292544.db2.gz	LNHMJVPWPFNJJQ-UHFFFAOYSA-N	0	0	524.578	3.324	50	0		KGAARN
COC(=O)c1ccc(NC(=O)N2CCN(Cc3cc(=O)n4nc(-c5cccc(F)c5)sc4n3)CC2)cc1	ZINC000041077453	554292461	/nfs/dbraw/zinc/29/24/61/554292461.db2.gz	GXNVVQYQKIECRR-UHFFFAOYSA-N	0	0	522.562	3.093	50	0		KGAARN
O=C(Nc1ccc2c(c1)OCO2)N1CCN(Cc2cc(=O)n3nc(-c4cccc(F)c4)sc3n2)CC1	ZINC000041077456	554292531	/nfs/dbraw/zinc/29/25/31/554292531.db2.gz	OEURWEXKOYPUMU-UHFFFAOYSA-N	0	0	508.535	3.036	50	0		KGAARN
Cc1ccc(S(=O)(=O)N2CCN(Cc3cc(=O)n4nc(-c5cccc(F)c5)sc4n3)CC2)c(C)c1	ZINC000041077460	554292524	/nfs/dbraw/zinc/29/25/24/554292524.db2.gz	ABHSTWXTAJWLGC-UHFFFAOYSA-N	0	0	513.620	3.080	50	0		KGAARN
Cc1ccc(C)c(S(=O)(=O)N2CCN(Cc3cc(=O)n4nc(-c5cccc(F)c5)sc4n3)CC2)c1	ZINC000041077461	554292527	/nfs/dbraw/zinc/29/25/27/554292527.db2.gz	RFBNFPQDCPGOFD-UHFFFAOYSA-N	0	0	513.620	3.080	50	0		KGAARN
Cc1ccc(S(=O)(=O)N2CCN(Cc3cc(=O)n4nc(-c5ccccc5F)sc4n3)CC2)c(C)c1	ZINC000041077472	554292472	/nfs/dbraw/zinc/29/24/72/554292472.db2.gz	FXNVCYJVQYUOEM-UHFFFAOYSA-N	0	0	513.620	3.080	50	0		KGAARN
Cc1ccc(C)c(S(=O)(=O)N2CCN(Cc3cc(=O)n4nc(-c5ccccc5F)sc4n3)CC2)c1	ZINC000041077473	554292452	/nfs/dbraw/zinc/29/24/52/554292452.db2.gz	VVOBBPVQNPTIRP-UHFFFAOYSA-N	0	0	513.620	3.080	50	0		KGAARN
O=C(Nc1ccc2c(c1)OCO2)N1CCN(Cc2cc(=O)n3nc(-c4ccccc4F)sc3n2)CC1	ZINC000041077485	554292509	/nfs/dbraw/zinc/29/25/09/554292509.db2.gz	DZQJMRGHUNYXTH-UHFFFAOYSA-N	0	0	508.535	3.036	50	0		KGAARN
Cc1ccccc1S(=O)(=O)N1CCN(Cc2cc(=O)n3nc(-c4ccc(Cl)cc4)sc3n2)CC1	ZINC000041077508	554292715	/nfs/dbraw/zinc/29/27/15/554292715.db2.gz	SNKPCIWSBZEOLM-UHFFFAOYSA-N	0	0	516.048	3.286	50	0		KGAARN
O=c1cc(CN2CCN(S(=O)(=O)c3cccs3)CC2)nc2sc(-c3ccc(Cl)cc3)nn21	ZINC000041077509	554292685	/nfs/dbraw/zinc/29/26/85/554292685.db2.gz	WZLRUUUUCJZKKX-UHFFFAOYSA-N	0	0	508.050	3.039	50	0		KGAARN
Cc1ccc(-c2nn3c(nc(CN4CCN(S(=O)(=O)c5ccc(C)cc5C)CC4)cc3=O)s2)cc1	ZINC000041077519	554292731	/nfs/dbraw/zinc/29/27/31/554292731.db2.gz	CKZQQIWEGMKSPE-UHFFFAOYSA-N	0	0	509.657	3.250	50	0		KGAARN
Cc1ccc(-c2nn3c(nc(CN4CCN(S(=O)(=O)c5cc(C)ccc5C)CC4)cc3=O)s2)cc1	ZINC000041077520	554292647	/nfs/dbraw/zinc/29/26/47/554292647.db2.gz	LGROFMVSKSBSAQ-UHFFFAOYSA-N	0	0	509.657	3.250	50	0		KGAARN
Cc1cccc(-c2nn3c(nc(CN4CCN(S(=O)(=O)c5ccc(C)cc5C)CC4)cc3=O)s2)c1	ZINC000041077542	554292678	/nfs/dbraw/zinc/29/26/78/554292678.db2.gz	QQEGONOUIQWLKJ-UHFFFAOYSA-N	0	0	509.657	3.250	50	0		KGAARN
CCOc1ccc(S(=O)(=O)N2CCN(Cc3cc(=O)n4nc(-c5cccc(C)c5)sc4n3)CC2)cc1	ZINC000041077546	554292649	/nfs/dbraw/zinc/29/26/49/554292649.db2.gz	KZHZMFUYMOYMHK-UHFFFAOYSA-N	0	0	525.656	3.032	50	0		KGAARN
COC(=O)c1ccccc1NC(=O)N1CCN(Cc2cc(=O)n3nc(-c4ccccc4C)sc3n2)CC1	ZINC000041077562	554292691	/nfs/dbraw/zinc/29/26/91/554292691.db2.gz	BJUMZKIZHDAEFZ-UHFFFAOYSA-N	0	0	518.599	3.263	50	0		KGAARN
COC(=O)c1ccc(NC(=O)N2CCN(Cc3cc(=O)n4nc(-c5ccccc5C)sc4n3)CC2)cc1	ZINC000041077572	554292696	/nfs/dbraw/zinc/29/26/96/554292696.db2.gz	MGMTXXKIXXCEBV-UHFFFAOYSA-N	0	0	518.599	3.263	50	0		KGAARN
COc1cc(NC(=O)N2CCN(Cc3cc(=O)n4nc(-c5ccccc5C)sc4n3)CC2)cc(OC)c1	ZINC000041077574	554292651	/nfs/dbraw/zinc/29/26/51/554292651.db2.gz	TTWUVQXRVORNHI-UHFFFAOYSA-N	0	0	520.615	3.493	50	0		KGAARN
Cc1ccccc1-c1nn2c(nc(CN3CCN(C(=O)Nc4ccc5c(c4)OCO5)CC3)cc2=O)s1	ZINC000041077578	554292954	/nfs/dbraw/zinc/29/29/54/554292954.db2.gz	YJBONOCTCQOPLI-UHFFFAOYSA-N	0	0	504.572	3.205	50	0		KGAARN
CCOc1ccc(S(=O)(=O)N2CCN(Cc3cc(=O)n4nc(-c5ccccc5C)sc4n3)CC2)cc1	ZINC000041077584	554292998	/nfs/dbraw/zinc/29/29/98/554292998.db2.gz	JKHLBTOQFTZHTP-UHFFFAOYSA-N	0	0	525.656	3.032	50	0		KGAARN
Cc1ccc(S(=O)(=O)N2CCN(Cc3cc(=O)n4nc(-c5ccccc5C)sc4n3)CC2)c(C)c1	ZINC000041077587	554292958	/nfs/dbraw/zinc/29/29/58/554292958.db2.gz	UJDSWNNNAXRQMQ-UHFFFAOYSA-N	0	0	509.657	3.250	50	0		KGAARN
Cc1ccc(C)c(S(=O)(=O)N2CCN(Cc3cc(=O)n4nc(-c5ccccc5C)sc4n3)CC2)c1	ZINC000041077588	554292990	/nfs/dbraw/zinc/29/29/90/554292990.db2.gz	LGAZQCIRKPSCMY-UHFFFAOYSA-N	0	0	509.657	3.250	50	0		KGAARN
COc1ccc(NC(=O)N2CCN(Cc3cc(=O)n4nc(-c5ccccc5)sc4n3)CC2)cc1OC	ZINC000041077596	554293022	/nfs/dbraw/zinc/29/30/22/554293022.db2.gz	HFSNOPRFVGOFNA-UHFFFAOYSA-N	0	0	506.588	3.185	50	0		KGAARN
Cc1cc(C)c(S(=O)(=O)N2CCN(Cc3cc(=O)n4nc(-c5ccccc5)sc4n3)CC2)cc1C	ZINC000041077600	554292994	/nfs/dbraw/zinc/29/29/94/554292994.db2.gz	RHWIUYMJGWVTGD-UHFFFAOYSA-N	0	0	509.657	3.250	50	0		KGAARN
CC(C)c1ccc(S(=O)(=O)N2CCN(Cc3cc(=O)n4nc(-c5ccccc5)sc4n3)CC2)cc1	ZINC000041077606	554292931	/nfs/dbraw/zinc/29/29/31/554292931.db2.gz	HOJNLJGZCZDXOP-UHFFFAOYSA-N	0	0	509.657	3.448	50	0		KGAARN
O=c1cc(CN2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)nc2sc(-c3ccccc3)nn21	ZINC000041077614	554292974	/nfs/dbraw/zinc/29/29/74/554292974.db2.gz	NSXBXECOITZDIV-UHFFFAOYSA-N	0	0	508.050	3.039	50	0		KGAARN
Cc1ccccc1S(=O)(=O)N1CCN(Cc2cc(=O)n3nc(-c4ccccc4Cl)sc3n2)CC1	ZINC000041085812	554294408	/nfs/dbraw/zinc/29/44/08/554294408.db2.gz	GGDBHTGIKWLMLA-UHFFFAOYSA-N	0	0	516.048	3.286	50	0		KGAARN
Cc1ccc(S(=O)(=O)N2CCN(Cc3cc(=O)n4nc(-c5cccc(Cl)c5)sc4n3)CC2)cc1	ZINC000041085840	554294687	/nfs/dbraw/zinc/29/46/87/554294687.db2.gz	GAYZSXMWEIFSAA-UHFFFAOYSA-N	0	0	516.048	3.286	50	0		KGAARN
COC(=O)c1ccccc1NC(=O)N1CCN(Cc2cc(=O)n3nc(-c4ccc(F)cc4)sc3n2)CC1	ZINC000041085854	554294660	/nfs/dbraw/zinc/29/46/60/554294660.db2.gz	YABWNRCZFPQSOC-UHFFFAOYSA-N	0	0	522.562	3.093	50	0		KGAARN
COc1ccccc1-c1nn2c(nc(CN3CCN(C(=O)Nc4cc(F)ccc4F)CC3)cc2=O)s1	ZINC000041085873	554294643	/nfs/dbraw/zinc/29/46/43/554294643.db2.gz	MGKWLAGKGYAVJF-UHFFFAOYSA-N	0	0	512.542	3.455	50	0		KGAARN
COc1ccc(-c2nn3c(nc(CN4CCN(C(=O)Nc5cccc(OC)c5)CC4)cc3=O)s2)cc1	ZINC000041085902	554294636	/nfs/dbraw/zinc/29/46/36/554294636.db2.gz	MHKZVZAQWORZBK-UHFFFAOYSA-N	0	0	506.588	3.185	50	0		KGAARN
O=C(c1ccc(S(=O)(=O)c2ccc(Br)cc2)o1)N1CCN(CCc2ccccn2)CC1	ZINC000041154425	554295758	/nfs/dbraw/zinc/29/57/58/554295758.db2.gz	IKEYNXZPOVAYAT-UHFFFAOYSA-N	0	0	504.406	3.270	50	0		KGAARN
O=C(NOCCO)c1cc(CN2OCCCC2=O)c(F)c(F)c1Nc1ccc(I)cc1F	ZINC000043103796	554297326	/nfs/dbraw/zinc/29/73/26/554297326.db2.gz	FIMYFEGKMOCQKT-UHFFFAOYSA-N	0	0	565.286	3.160	50	0	investigational	KGAARN
CNC(=O)c1c(F)cccc1Nc1nc(Nc2cc3c(cc2OC)CCN3C(=O)CN(C)C)nc2[nH]ccc21	ZINC000043202844	554298149	/nfs/dbraw/zinc/29/81/49/554298149.db2.gz	HZTYDQRUAWIZRE-UHFFFAOYSA-N	0	0	532.580	3.403	50	0	in-vitro	KGAARN
COCCCNC(=O)[C@H](CC(C)C)NC(=O)[C@H]1Cc2c3ccccc3[nH]c2[C@@H]2c3ccccc3C(=O)N21	ZINC000043746566	554299018	/nfs/dbraw/zinc/29/90/18/554299018.db2.gz	UDVYPIVONXPYJD-GSLIJJQTSA-N	0	0	502.615	3.321	50	0		KGAARN
COc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4ccc(OC)cc4OC)c(=O)n32)cc1	ZINC000043759543	554299344	/nfs/dbraw/zinc/29/93/44/554299344.db2.gz	BXILVDOHHFKSOJ-JGTYQCAFSA-N	0	0	508.596	3.213	50	0		KGAARN
COc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4ccc(OC)cc4OC)c(=O)n32)cc1	ZINC000043759545	554299376	/nfs/dbraw/zinc/29/93/76/554299376.db2.gz	BXILVDOHHFKSOJ-LYRGBEMXSA-N	0	0	508.596	3.213	50	0		KGAARN
CCC(=O)N1CCc2cc(Br)c(S(=O)(=O)N3CCC[C@H](C(=O)NC4CCCC4)C3)cc21	ZINC000044139581	554301537	/nfs/dbraw/zinc/30/15/37/554301537.db2.gz	SXQLVKOBIVQJRK-INIZCTEOSA-N	0	0	512.470	3.208	50	0		KGAARN
CCC(=O)N1CCc2cc(Br)c(S(=O)(=O)N3CCC[C@@H](C(=O)NC4CCCC4)C3)cc21	ZINC000044139583	554301545	/nfs/dbraw/zinc/30/15/45/554301545.db2.gz	SXQLVKOBIVQJRK-MRXNPFEDSA-N	0	0	512.470	3.208	50	0		KGAARN
COc1ccc(CNC(=O)CCS(=O)(=O)c2cc3c(cc2Br)C[C@@H](C)N3C(C)=O)cc1	ZINC000044144371	554301566	/nfs/dbraw/zinc/30/15/66/554301566.db2.gz	GMGWMABMWYECGY-CQSZACIVSA-N	0	0	509.422	3.235	50	0		KGAARN
COc1ccc(CNC(=O)CCS(=O)(=O)c2cc3c(cc2Br)C[C@H](C)N3C(C)=O)cc1	ZINC000044144375	554301600	/nfs/dbraw/zinc/30/16/00/554301600.db2.gz	GMGWMABMWYECGY-AWEZNQCLSA-N	0	0	509.422	3.235	50	0		KGAARN
CC(=O)N1c2cc(S(=O)(=O)CCC(=O)N3CCc4ccccc4C3)c(Br)cc2C[C@H]1C	ZINC000044144379	554301437	/nfs/dbraw/zinc/30/14/37/554301437.db2.gz	IQFRSOSSSHAAMB-OAHLLOKOSA-N	0	0	505.434	3.495	50	0		KGAARN
CC(=O)N1c2cc(S(=O)(=O)CCC(=O)N3CCc4ccccc4C3)c(Br)cc2C[C@@H]1C	ZINC000044144383	554301542	/nfs/dbraw/zinc/30/15/42/554301542.db2.gz	IQFRSOSSSHAAMB-HNNXBMFYSA-N	0	0	505.434	3.495	50	0		KGAARN
COc1ccc(Cl)cc1NC(=O)CS(=O)(=O)c1cc2c(cc1Br)CCN2C(C)=O	ZINC000044144400	554301497	/nfs/dbraw/zinc/30/14/97/554301497.db2.gz	MOBHPNCEYIYBSY-UHFFFAOYSA-N	0	0	501.786	3.433	50	0		KGAARN
COc1ccc(OC)c(-n2c(CNC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)nnc2SCC(=O)Nc2nccs2)c1	ZINC000044459990	554302229	/nfs/dbraw/zinc/30/22/29/554302229.db2.gz	HXJQBZIKDLIHOL-UHFFFAOYSA-N	0	0	643.773	3.186	50	0		KGAARN
O=C(CSc1nc(-c2ccccc2)cs1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1	ZINC000044460117	554302496	/nfs/dbraw/zinc/30/24/96/554302496.db2.gz	WMLQLDCVNKRNRN-UHFFFAOYSA-N	0	0	560.723	3.398	50	0		KGAARN
COc1ccc(-c2csc(NC(=O)[C@@H](CCSC)NC(=O)c3cccc(S(=O)(=O)N4CCOCC4)c3)n2)cc1	ZINC000044670682	554302399	/nfs/dbraw/zinc/30/23/99/554302399.db2.gz	IXLKFGDRZALHPE-JOCHJYFZSA-N	0	0	590.749	3.330	50	0		KGAARN
COc1ccc(-c2csc(NC(=O)[C@H](CCSC)NC(=O)c3cccc(S(=O)(=O)N4CCOCC4)c3)n2)cc1	ZINC000044670683	554302431	/nfs/dbraw/zinc/30/24/31/554302431.db2.gz	IXLKFGDRZALHPE-QFIPXVFZSA-N	0	0	590.749	3.330	50	0		KGAARN
Cc1cc(C(C)(C)C)cc(C)c1S(=O)(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1	ZINC000044980778	554310645	/nfs/dbraw/zinc/31/06/45/554310645.db2.gz	NGZWKXLHADGGTD-UHFFFAOYSA-N	0	0	508.662	3.067	50	0		KGAARN
COc1ccc(S(=O)(=O)N2CCN(C[C@H](O)COc3ccc(Oc4ccccc4)cc3)CC2)cc1OC	ZINC000044980793	554311010	/nfs/dbraw/zinc/31/10/10/554311010.db2.gz	GNMIXMHUISGPPH-NRFANRHFSA-N	0	0	528.627	3.242	50	0		KGAARN
COc1ccc(S(=O)(=O)N2CCN(C[C@@H](O)COc3ccc(Oc4ccccc4)cc3)CC2)cc1OC	ZINC000044980796	554310912	/nfs/dbraw/zinc/31/09/12/554310912.db2.gz	GNMIXMHUISGPPH-OAQYLSRUSA-N	0	0	528.627	3.242	50	0		KGAARN
CCOc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)cc1OCC	ZINC000044980804	554311047	/nfs/dbraw/zinc/31/10/47/554311047.db2.gz	PNIDGXKNBPCMSA-UHFFFAOYSA-N	0	0	522.567	3.198	50	0		KGAARN
CCOc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)cc1OCC	ZINC000044980807	554311007	/nfs/dbraw/zinc/31/10/07/554311007.db2.gz	ULUPCKKJOYSFPI-UHFFFAOYSA-N	0	0	504.630	3.332	50	0		KGAARN
CNC(=O)Nc1ccc(-c2nc3c(cnn3C3CCC4(CC3)OCCO4)c(N3C[C@H]4CC[C@@H](C3)O4)n2)cc1	ZINC000045371737	554311320	/nfs/dbraw/zinc/31/13/20/554311320.db2.gz	QLHHRYZMBGPBJG-OYRHEFFESA-N	0	0	519.606	3.470	50	0	in-vitro	KGAARN
CC(=O)c1cccc(NC(=O)Cn2c3ccccc3c(=O)n(CCCCC(=O)NCCC(C)C)c2=O)c1	ZINC000045896455	554311582	/nfs/dbraw/zinc/31/15/82/554311582.db2.gz	BYVIPPWIPMAIPZ-UHFFFAOYSA-N	0	0	506.603	3.337	50	0		KGAARN
CC(=O)c1ccc(NC(=O)Cn2c3ccccc3c(=O)n(CCCCC(=O)NCCC(C)C)c2=O)cc1	ZINC000045896456	554311587	/nfs/dbraw/zinc/31/15/87/554311587.db2.gz	NSOUAMBUZPWCQT-UHFFFAOYSA-N	0	0	506.603	3.337	50	0		KGAARN
CC(C)NC(=O)CCCCn1c(=O)c2ccccc2n(CC(=O)Nc2ccc(Br)cc2)c1=O	ZINC000045896464	554311530	/nfs/dbraw/zinc/31/15/30/554311530.db2.gz	BMBVQNOZPVHPRT-UHFFFAOYSA-N	0	0	515.408	3.259	50	0		KGAARN
CCc1ccccc1NC(=O)Cn1c2ccccc2c(=O)n(CCCCC(=O)NCc2ccco2)c1=O	ZINC000045896520	554311698	/nfs/dbraw/zinc/31/16/98/554311698.db2.gz	LJODPYIPYZOGNT-UHFFFAOYSA-N	0	0	502.571	3.444	50	0		KGAARN
Cc1ccc(NC(=O)Cn2c(=O)n(CCCCC(=O)NCc3ccco3)c(=O)c3ccccc32)cc1F	ZINC000045896525	554311790	/nfs/dbraw/zinc/31/17/90/554311790.db2.gz	MJMWOKSPPZQFTE-UHFFFAOYSA-N	0	0	506.534	3.329	50	0		KGAARN
CCc1cccc(NC(=O)Cn2c3ccccc3c(=O)n(CCCCC(=O)NCc3ccco3)c2=O)c1	ZINC000045896526	554311765	/nfs/dbraw/zinc/31/17/65/554311765.db2.gz	PZOPSAALAUHDLG-UHFFFAOYSA-N	0	0	502.571	3.444	50	0		KGAARN
Cc1ccc(C)c(NC(=O)Cn2c3ccccc3c(=O)n(CCCCC(=O)NCc3ccco3)c2=O)c1	ZINC000045896528	554311719	/nfs/dbraw/zinc/31/17/19/554311719.db2.gz	AAGBKGVHMNXPIR-UHFFFAOYSA-N	0	0	502.571	3.498	50	0		KGAARN
CC(=O)c1cccc(NC(=O)Cn2c3ccccc3c(=O)n(CCCCC(=O)NCc3ccco3)c2=O)c1	ZINC000045896530	554311759	/nfs/dbraw/zinc/31/17/59/554311759.db2.gz	JBQBNIHPNQWCBW-UHFFFAOYSA-N	0	0	516.554	3.084	50	0		KGAARN
Cc1cccc(NC(=O)Cn2c3ccccc3c(=O)n(CCCCC(=O)NCc3ccco3)c2=O)c1C	ZINC000045896532	554311732	/nfs/dbraw/zinc/31/17/32/554311732.db2.gz	UMBYHLIHCCIYSG-UHFFFAOYSA-N	0	0	502.571	3.498	50	0		KGAARN
O=C(CCCCn1c(=O)c2ccccc2n(CC(=O)NCCc2ccccc2)c1=O)NC1CCCCC1	ZINC000045898451	554311774	/nfs/dbraw/zinc/31/17/74/554311774.db2.gz	YJQANXNPPFLTFA-UHFFFAOYSA-N	0	0	504.631	3.141	50	0		KGAARN
COc1cccc(NC(=O)Cn2c3ccccc3c(=O)n(CCCCC(=O)NC3CCCCC3)c2=O)c1	ZINC000045898454	554311767	/nfs/dbraw/zinc/31/17/67/554311767.db2.gz	MTQLWGXSDZRWIO-UHFFFAOYSA-N	0	0	506.603	3.430	50	0		KGAARN
COc1ccccc1NC(=O)Cn1c2ccccc2c(=O)n(CCCCC(=O)NC2CCCCC2)c1=O	ZINC000045898466	554311785	/nfs/dbraw/zinc/31/17/85/554311785.db2.gz	KUTUKULQMHJFDG-UHFFFAOYSA-N	0	0	506.603	3.430	50	0		KGAARN
Cc1ccc(CNC(=O)Cn2c3ccccc3c(=O)n(CCCCC(=O)NC3CCCCC3)c2=O)cc1	ZINC000045898476	554311769	/nfs/dbraw/zinc/31/17/69/554311769.db2.gz	HDYZHWMKHJQHQH-UHFFFAOYSA-N	0	0	504.631	3.407	50	0		KGAARN
COc1ccc(NC(=O)Cn2c3ccccc3c(=O)n(CCCCC(=O)NC3CCCCC3)c2=O)cc1	ZINC000045898483	554311713	/nfs/dbraw/zinc/31/17/13/554311713.db2.gz	LQEWSTXLYTVDAG-UHFFFAOYSA-N	0	0	506.603	3.430	50	0		KGAARN
O=C(CCCCn1c(=O)c2ccccc2n(CC(=O)NCc2ccc(F)cc2)c1=O)NC1CCCCC1	ZINC000045898514	554311709	/nfs/dbraw/zinc/31/17/09/554311709.db2.gz	QFVFBSWGGFOSSR-UHFFFAOYSA-N	0	0	508.594	3.238	50	0		KGAARN
O=C(CCCCn1c(=O)c2ccccc2n(CC(=O)NCc2ccccc2)c1=O)Nc1ccc(F)cc1	ZINC000045898568	554311995	/nfs/dbraw/zinc/31/19/95/554311995.db2.gz	XGMZCPUJBOWXMH-UHFFFAOYSA-N	0	0	502.546	3.428	50	0		KGAARN
O=C(CCCCn1c(=O)c2ccccc2n(CC(=O)NCCc2ccccc2)c1=O)Nc1ccc(F)cc1	ZINC000045898576	554312021	/nfs/dbraw/zinc/31/20/21/554312021.db2.gz	YKMAHYVBTNLTND-UHFFFAOYSA-N	0	0	516.573	3.470	50	0		KGAARN
O=C(CCCCn1c(=O)c2ccccc2n(CC(=O)NCc2ccc(F)cc2)c1=O)Nc1ccccc1	ZINC000045898694	554312308	/nfs/dbraw/zinc/31/23/08/554312308.db2.gz	GEBGJYMRHCYZNH-UHFFFAOYSA-N	0	0	502.546	3.428	50	0		KGAARN
COc1ccc(CNC(=O)Cn2c3ccccc3c(=O)n(CCCCC(=O)Nc3ccccc3)c2=O)cc1	ZINC000045898703	554312287	/nfs/dbraw/zinc/31/22/87/554312287.db2.gz	IVPFCVJGQFWJBW-UHFFFAOYSA-N	0	0	514.582	3.297	50	0		KGAARN
COc1cccc(CNC(=O)Cn2c3ccccc3c(=O)n(CCCCC(=O)Nc3ccccc3)c2=O)c1	ZINC000045898706	554312252	/nfs/dbraw/zinc/31/22/52/554312252.db2.gz	NJHKNXJGOTZDTQ-UHFFFAOYSA-N	0	0	514.582	3.297	50	0		KGAARN
O=C(CCCCn1c(=O)c2ccccc2n(CC(=O)Nc2ccc3c(c2)OCO3)c1=O)Nc1ccccc1	ZINC000045898709	554312283	/nfs/dbraw/zinc/31/22/83/554312283.db2.gz	NGBRIIOPPDPGSO-UHFFFAOYSA-N	0	0	514.538	3.340	50	0		KGAARN
O=C(CCCCn1c(=O)c2ccccc2n(CC(=O)NCc2ccccc2Cl)c1=O)NC1CCCC1	ZINC000045898846	554312302	/nfs/dbraw/zinc/31/23/02/554312302.db2.gz	MCDGDDDSNUKULZ-UHFFFAOYSA-N	0	0	511.022	3.362	50	0		KGAARN
CCOc1ccccc1NC(=O)Cn1c2ccccc2c(=O)n(CCCCC(=O)NC2CCCC2)c1=O	ZINC000045898894	554312249	/nfs/dbraw/zinc/31/22/49/554312249.db2.gz	QGEBCEAFPYNROJ-UHFFFAOYSA-N	0	0	506.603	3.430	50	0		KGAARN
CC(=O)c1cccc(NC(=O)Cn2c3ccccc3c(=O)n(CCCCC(=O)NC3CCCC3)c2=O)c1	ZINC000045898934	554312514	/nfs/dbraw/zinc/31/25/14/554312514.db2.gz	SJOAEGBCPGEEMU-UHFFFAOYSA-N	0	0	504.587	3.234	50	0		KGAARN
Cc1ccc2c(c1)N(C(=O)Cn1c3ccccc3c(=O)n(CCCCC(=O)NC3CCCC3)c1=O)CCO2	ZINC000045898940	554312499	/nfs/dbraw/zinc/31/24/99/554312499.db2.gz	SBTKIFZBZXGBAC-UHFFFAOYSA-N	0	0	518.614	3.126	50	0		KGAARN
O=C(CCCCn1c(=O)c2ccccc2n(CC(=O)NCCCc2ccccc2)c1=O)NC1CCCC1	ZINC000045898944	554312502	/nfs/dbraw/zinc/31/25/02/554312502.db2.gz	YMJSXDPERTXGIX-UHFFFAOYSA-N	0	0	504.631	3.141	50	0		KGAARN
O=C(CCCCn1c(=O)c2ccccc2n(CC(=O)NCc2ccc(Cl)cc2)c1=O)NC1CCCC1	ZINC000045898953	554312524	/nfs/dbraw/zinc/31/25/24/554312524.db2.gz	IDSUKCDZSXZFCW-UHFFFAOYSA-N	0	0	511.022	3.362	50	0		KGAARN
CC(=O)c1ccc(NC(=O)Cn2c3ccccc3c(=O)n(CCCCC(=O)NC3CCCC3)c2=O)cc1	ZINC000045898961	554312513	/nfs/dbraw/zinc/31/25/13/554312513.db2.gz	GCIIZALPSNCPQF-UHFFFAOYSA-N	0	0	504.587	3.234	50	0		KGAARN
CCOc1ccc(NC(=O)Cn2c3ccccc3c(=O)n(CCCCC(=O)NC3CCCC3)c2=O)cc1	ZINC000045898971	554312512	/nfs/dbraw/zinc/31/25/12/554312512.db2.gz	UXMPBEBUDCXDEW-UHFFFAOYSA-N	0	0	506.603	3.430	50	0		KGAARN
Cc1ccc(CNC(=O)Cn2c3ccccc3c(=O)n(CCCCC(=O)NCc3cccs3)c2=O)cc1	ZINC000045899027	554312491	/nfs/dbraw/zinc/31/24/91/554312491.db2.gz	OIKGAUCQAFTCQH-UHFFFAOYSA-N	0	0	518.639	3.336	50	0		KGAARN
CC(C)CNC(=O)CCCCn1c(=O)c2ccccc2n(CC(=O)N[C@@H](C)CCc2ccccc2)c1=O	ZINC000045899128	554312488	/nfs/dbraw/zinc/31/24/88/554312488.db2.gz	LTSTWNBMICJCRZ-QFIPXVFZSA-N	0	0	506.647	3.243	50	0		KGAARN
CC(C)CNC(=O)CCCCn1c(=O)c2ccccc2n(CC(=O)N[C@H](C)CCc2ccccc2)c1=O	ZINC000045899131	554312768	/nfs/dbraw/zinc/31/27/68/554312768.db2.gz	LTSTWNBMICJCRZ-JOCHJYFZSA-N	0	0	506.647	3.243	50	0		KGAARN
CC(C)CCNC(=O)Cc1ccc(-n2c(=O)c3ccccc3n(CC(=O)NCc3ccccc3)c2=O)cc1	ZINC000045899199	554312785	/nfs/dbraw/zinc/31/27/85/554312785.db2.gz	WWAPRFDIABXIGH-UHFFFAOYSA-N	0	0	512.610	3.174	50	0		KGAARN
CC(C)CCNC(=O)Cc1ccc(-n2c(=O)c3ccccc3n(CC(=O)NC3CCCCC3)c2=O)cc1	ZINC000045899202	554312722	/nfs/dbraw/zinc/31/27/22/554312722.db2.gz	GOPQBEVARKQADM-UHFFFAOYSA-N	0	0	504.631	3.306	50	0		KGAARN
Cc1ccc(NC(=O)Cn2c3ccccc3c(=O)n(-c3ccc(CC(=O)NC(C)C)cc3)c2=O)cc1F	ZINC000045899296	554312735	/nfs/dbraw/zinc/31/27/35/554312735.db2.gz	KSERCOIPWURGIW-UHFFFAOYSA-N	0	0	502.546	3.306	50	0		KGAARN
CC(=O)c1cccc(NC(=O)Cn2c3ccccc3c(=O)n(-c3ccc(CC(=O)NC(C)C)cc3)c2=O)c1	ZINC000045899315	554312750	/nfs/dbraw/zinc/31/27/50/554312750.db2.gz	BKAKFMXGHJYFBG-UHFFFAOYSA-N	0	0	512.566	3.061	50	0		KGAARN
CCCNC(=O)Cc1ccc(-n2c(=O)c3ccccc3n(CC(=O)Nc3ccc(C)c(F)c3)c2=O)cc1	ZINC000045899518	554313010	/nfs/dbraw/zinc/31/30/10/554313010.db2.gz	UGSPSKCWQJHFDJ-UHFFFAOYSA-N	0	0	502.546	3.307	50	0		KGAARN
CCCNC(=O)Cc1ccc(-n2c(=O)c3ccccc3n(CC(=O)Nc3cccc(C(C)=O)c3)c2=O)cc1	ZINC000045899538	554313022	/nfs/dbraw/zinc/31/30/22/554313022.db2.gz	QNKNUWBQYFJQCN-UHFFFAOYSA-N	0	0	512.566	3.062	50	0		KGAARN
CCCNC(=O)Cc1ccc(-n2c(=O)c3ccccc3n(CC(=O)Nc3ccc(C(C)=O)cc3)c2=O)cc1	ZINC000045899544	554313041	/nfs/dbraw/zinc/31/30/41/554313041.db2.gz	GIHRAMWWEDZEIR-UHFFFAOYSA-N	0	0	512.566	3.062	50	0		KGAARN
CCCCNC(=O)Cc1ccc(-n2c(=O)c3ccccc3n(CC(=O)NCc3ccc(C)cc3)c2=O)cc1	ZINC000045899618	554313028	/nfs/dbraw/zinc/31/30/28/554313028.db2.gz	XBLQGSGFEIPQHM-UHFFFAOYSA-N	0	0	512.610	3.236	50	0		KGAARN
CCCCNC(=O)Cc1ccc(-n2c(=O)c3ccccc3n(CC(=O)Nc3ccc(F)cc3)c2=O)cc1	ZINC000045899620	554313007	/nfs/dbraw/zinc/31/30/07/554313007.db2.gz	BYIPKWYIUMYOPD-UHFFFAOYSA-N	0	0	502.546	3.389	50	0		KGAARN
CCCCNC(=O)Cc1ccc(-n2c(=O)c3ccccc3n(CC(=O)Nc3ccccc3F)c2=O)cc1	ZINC000045899627	554313019	/nfs/dbraw/zinc/31/30/19/554313019.db2.gz	ZRRZEWPBHIGEKD-UHFFFAOYSA-N	0	0	502.546	3.389	50	0		KGAARN
CCCCNC(=O)Cc1ccc(-n2c(=O)c3ccccc3n(CC(=O)NCc3ccc(F)cc3)c2=O)cc1	ZINC000045899645	554313025	/nfs/dbraw/zinc/31/30/25/554313025.db2.gz	YLFPNICHRBNSOG-UHFFFAOYSA-N	0	0	516.573	3.067	50	0		KGAARN
CCCCNC(=O)Cc1ccc(-n2c(=O)c3ccccc3n(CC(=O)Nc3cccc(F)c3)c2=O)cc1	ZINC000045899648	554313040	/nfs/dbraw/zinc/31/30/40/554313040.db2.gz	XBWHOYSUEYEGCC-UHFFFAOYSA-N	0	0	502.546	3.389	50	0		KGAARN
CCCCCNC(=O)Cc1ccc(-n2c(=O)c3ccccc3n(CC(=O)NCc3ccccc3)c2=O)cc1	ZINC000045899689	554313013	/nfs/dbraw/zinc/31/30/13/554313013.db2.gz	QPGHJWPOMSKKJQ-UHFFFAOYSA-N	0	0	512.610	3.318	50	0		KGAARN
CCCCCNC(=O)Cc1ccc(-n2c(=O)c3ccccc3n(CC(=O)NC3CCCCC3)c2=O)cc1	ZINC000045899692	554313063	/nfs/dbraw/zinc/31/30/63/554313063.db2.gz	KDFYKTWGSMMSTO-UHFFFAOYSA-N	0	0	504.631	3.450	50	0		KGAARN
O=C(Cc1ccc(-n2c(=O)c3ccccc3n(CC(=O)Nc3ccccc3)c2=O)cc1)NCc1ccco1	ZINC000045899759	554313164	/nfs/dbraw/zinc/31/31/64/554313164.db2.gz	AWRCSRMJXMLUSJ-UHFFFAOYSA-N	0	0	508.534	3.243	50	0		KGAARN
O=C(Cc1ccc(-n2c(=O)c3ccccc3n(CC(=O)Nc3ccccc3Cl)c2=O)cc1)NC1CC1	ZINC000045900115	554313428	/nfs/dbraw/zinc/31/34/28/554313428.db2.gz	SUFVBUNQQYHASJ-UHFFFAOYSA-N	0	0	502.958	3.266	50	0		KGAARN
O=C(Cc1ccc(-n2c(=O)c3ccccc3n(CC(=O)Nc3cccc(Cl)c3)c2=O)cc1)NC1CC1	ZINC000045900138	554313475	/nfs/dbraw/zinc/31/34/75/554313475.db2.gz	HHMVOXVFBSRFSE-UHFFFAOYSA-N	0	0	502.958	3.266	50	0		KGAARN
Cc1ccc(NC(=O)Cn2c3ccccc3c(=O)n(-c3ccc(CC(=O)NC4CC4)cc3)c2=O)cc1F	ZINC000045900141	554313489	/nfs/dbraw/zinc/31/34/89/554313489.db2.gz	FZCNHYDUGISPBS-UHFFFAOYSA-N	0	0	500.530	3.060	50	0		KGAARN
CSc1cccc(NC(=O)Cn2c3ccccc3c(=O)n(-c3ccc(CC(=O)NC4CC4)cc3)c2=O)c1	ZINC000045900149	554313420	/nfs/dbraw/zinc/31/34/20/554313420.db2.gz	VLJLRDVUEDXNBD-UHFFFAOYSA-N	0	0	514.607	3.334	50	0		KGAARN
O=C(Cc1ccc(-n2c(=O)c3ccccc3n(CC(=O)Nc3ccc(Cl)cc3)c2=O)cc1)NC1CC1	ZINC000045900152	554313444	/nfs/dbraw/zinc/31/34/44/554313444.db2.gz	RRZHWAZHYWFTJN-UHFFFAOYSA-N	0	0	502.958	3.266	50	0		KGAARN
Cc1ccc(CNC(=O)Cn2c3ccccc3c(=O)n(-c3ccc(CC(=O)NCC(C)C)cc3)c2=O)cc1	ZINC000045900261	554313727	/nfs/dbraw/zinc/31/37/27/554313727.db2.gz	GXSXNYDERHBDKT-UHFFFAOYSA-N	0	0	512.610	3.092	50	0		KGAARN
CC(C)CNC(=O)Cc1ccc(-n2c(=O)c3ccccc3n(CC(=O)Nc3ccccc3F)c2=O)cc1	ZINC000045900271	554313652	/nfs/dbraw/zinc/31/36/52/554313652.db2.gz	YWBPGMRJKZGJSR-UHFFFAOYSA-N	0	0	502.546	3.245	50	0		KGAARN
CC(C)CNC(=O)Cc1ccc(-n2c(=O)c3ccccc3n(CC(=O)Nc3cccc(F)c3)c2=O)cc1	ZINC000045900293	554313655	/nfs/dbraw/zinc/31/36/55/554313655.db2.gz	RUZDCIPQRGAJSM-UHFFFAOYSA-N	0	0	502.546	3.245	50	0		KGAARN
O=C(NCCCN1CCOCC1)C1CCN(c2ccc(Sc3ccc(Br)cc3)nn2)CC1	ZINC000045921462	554313987	/nfs/dbraw/zinc/31/39/87/554313987.db2.gz	JVYUBKRUEFEYJG-UHFFFAOYSA-N	0	0	520.497	3.445	50	0		KGAARN
O=C(Cn1c2ccccc2c(=O)n(-c2ccc(CC(=O)NC3CCCCC3)cc2)c1=O)NC1CCCC1	ZINC000045921946	554314526	/nfs/dbraw/zinc/31/45/26/554314526.db2.gz	UCZCUURFMVONNS-UHFFFAOYSA-N	0	0	502.615	3.203	50	0		KGAARN
CCCNC(=O)Cc1ccc(-n2c(=O)c3ccccc3n(CC(=O)NCCC3=CCCCC3)c2=O)cc1	ZINC000045921968	554314521	/nfs/dbraw/zinc/31/45/21/554314521.db2.gz	DEJHCDNVHLSFRJ-UHFFFAOYSA-N	0	0	502.615	3.228	50	0		KGAARN
CCCNC(=O)Cc1ccc(-n2c(=O)c3ccccc3n(Cc3ccc(N4CCCC4=O)cc3)c2=O)cc1	ZINC000045922032	554314514	/nfs/dbraw/zinc/31/45/14/554314514.db2.gz	IFXRFISLDIVLCF-UHFFFAOYSA-N	0	0	510.594	3.396	50	0		KGAARN
O=C(CCCCn1c(=O)c2ccccc2n(Cc2ccc(N3CCCC3=O)cc2)c1=O)NCc1ccco1	ZINC000045922087	554314496	/nfs/dbraw/zinc/31/44/96/554314496.db2.gz	ZYZXEVXIOBIQKO-UHFFFAOYSA-N	0	0	514.582	3.418	50	0		KGAARN
C[C@@H](CCc1ccccc1)NC(=O)Cn1c2ccccc2c(=O)n(CCCCC(=O)NCc2ccco2)c1=O	ZINC000045922147	554314729	/nfs/dbraw/zinc/31/47/29/554314729.db2.gz	VGKGTSFADHBJCJ-QFIPXVFZSA-N	0	0	530.625	3.380	50	0		KGAARN
C[C@H](CCc1ccccc1)NC(=O)Cn1c2ccccc2c(=O)n(CCCCC(=O)NCc2ccco2)c1=O	ZINC000045922152	554314786	/nfs/dbraw/zinc/31/47/86/554314786.db2.gz	VGKGTSFADHBJCJ-JOCHJYFZSA-N	0	0	530.625	3.380	50	0		KGAARN
O=C(CCCCn1c(=O)c2ccccc2n(CC(=O)NCc2ccc(Cl)cc2)c1=O)NCc1ccco1	ZINC000045922157	554314807	/nfs/dbraw/zinc/31/48/07/554314807.db2.gz	KMNKDVOMHGXRRM-UHFFFAOYSA-N	0	0	522.989	3.213	50	0		KGAARN
COc1ccc(OC)c(NC(=O)Cn2c3ccccc3c(=O)n(CCCCC(=O)NC3CCCC3)c2=O)c1	ZINC000045922177	554314756	/nfs/dbraw/zinc/31/47/56/554314756.db2.gz	LIECBFUOMRLDLW-UHFFFAOYSA-N	0	0	522.602	3.048	50	0		KGAARN
COc1cc(NC(=O)Cn2c3ccccc3c(=O)n(CCCCC(=O)NC3CCCC3)c2=O)cc(OC)c1	ZINC000045922199	554314750	/nfs/dbraw/zinc/31/47/50/554314750.db2.gz	BXHBUAHUCIEDJF-UHFFFAOYSA-N	0	0	522.602	3.048	50	0		KGAARN
COc1cc2[nH]c(=O)n(CCCCC(=O)NCCOc3cccc(C(F)(F)F)c3)c(=O)c2cc1OC	ZINC000045922436	554314819	/nfs/dbraw/zinc/31/48/19/554314819.db2.gz	GVUBTOVMDSUGJU-UHFFFAOYSA-N	0	0	509.481	3.091	50	0		KGAARN
CCC(=O)Nc1c(S(=O)(=O)c2ccccc2)c(SC)nn1CC(=O)Nc1ccc(OC)cc1OC	ZINC000045922509	554315007	/nfs/dbraw/zinc/31/50/07/554315007.db2.gz	YQMFCCLHWYJRED-UHFFFAOYSA-N	0	0	518.617	3.442	50	0		KGAARN
COc1ccc(OC)c(NC(=O)CSc2ncc(S(=O)(=O)c3ccc(Cl)s3)c(N)n2)c1	ZINC000045925051	554316070	/nfs/dbraw/zinc/31/60/70/554316070.db2.gz	ZGNLVYCANNYLPP-UHFFFAOYSA-N	0	0	501.011	3.355	50	0		KGAARN
COc1ccc(NC(=O)CSc2ncc(S(=O)(=O)c3ccc(Cl)s3)c(N)n2)c(OC)c1	ZINC000045925055	554316041	/nfs/dbraw/zinc/31/60/41/554316041.db2.gz	KMJVWCKBKCWBEB-UHFFFAOYSA-N	0	0	501.011	3.355	50	0		KGAARN
Cc1ccc(CNC(=O)CSc2ncc(S(=O)(=O)c3ccc(Br)s3)c(N)n2)cc1	ZINC000045925202	554316021	/nfs/dbraw/zinc/31/60/21/554316021.db2.gz	DOFAOSIJDICFJP-UHFFFAOYSA-N	0	0	513.464	3.433	50	0		KGAARN
Nc1nc(SCC(=O)NCCc2ccccc2)ncc1S(=O)(=O)c1ccc(Br)s1	ZINC000045925208	554316342	/nfs/dbraw/zinc/31/63/42/554316342.db2.gz	IEEANUNTWQEPSQ-UHFFFAOYSA-N	0	0	513.464	3.167	50	0		KGAARN
O=c1cc(CN2CCN(S(=O)(=O)Cc3ccccc3)CC2)nc2sc(-c3ccc(Cl)cc3)nn21	ZINC000045962211	554316805	/nfs/dbraw/zinc/31/68/05/554316805.db2.gz	UKIIWJQMKWLVAI-UHFFFAOYSA-N	0	0	516.048	3.119	50	0		KGAARN
O=c1c2nnn(Cc3cccc(F)c3)c2ncn1Cc1nc(-c2ccc(F)c(Br)c2)no1	ZINC000045971172	554316898	/nfs/dbraw/zinc/31/68/98/554316898.db2.gz	VOQQLPLECVACHV-UHFFFAOYSA-N	0	0	500.263	3.175	50	0		KGAARN
O=c1c2nnn(Cc3ccc(F)cc3)c2ncn1Cc1nc(-c2ccc(F)c(Br)c2)no1	ZINC000045971174	554316809	/nfs/dbraw/zinc/31/68/09/554316809.db2.gz	SITTXLRLTGPKNR-UHFFFAOYSA-N	0	0	500.263	3.175	50	0		KGAARN
O=c1c2nnn(Cc3cc(F)cc(F)c3)c2ncn1Cc1nc(-c2ccc(Br)cc2)no1	ZINC000045971182	554316876	/nfs/dbraw/zinc/31/68/76/554316876.db2.gz	ZKJUKZMPCXKSCT-UHFFFAOYSA-N	0	0	500.263	3.175	50	0		KGAARN
O=c1c2nnn(Cc3cc(F)cc(F)c3)c2ncn1Cc1nc(-c2cccc(Br)c2)no1	ZINC000045971194	554316904	/nfs/dbraw/zinc/31/69/04/554316904.db2.gz	WPNRWHWQDWCHRF-UHFFFAOYSA-N	0	0	500.263	3.175	50	0		KGAARN
O=c1c2nnn(Cc3cc(F)cc(F)c3)c2ncn1Cc1nc(-c2ccccc2Br)no1	ZINC000045971198	554316868	/nfs/dbraw/zinc/31/68/68/554316868.db2.gz	DXRNFIUSQRFENK-UHFFFAOYSA-N	0	0	500.263	3.175	50	0		KGAARN
COc1ccc(-c2cc3c4nnc(SCC(=O)NCc5cccc(OC)c5OC)n4ccn3n2)cc1	ZINC000045971829	554317052	/nfs/dbraw/zinc/31/70/52/554317052.db2.gz	JFAGEHMQGQGJCQ-UHFFFAOYSA-N	0	0	504.572	3.478	50	0		KGAARN
COc1ccc(CNC(=O)Cn2cc(S(=O)(=O)c3ccc(C)cc3C)c(=O)c3ccc(C)nc32)cc1	ZINC000045995003	554317993	/nfs/dbraw/zinc/31/79/93/554317993.db2.gz	DVEMOLULYGMBRM-UHFFFAOYSA-N	0	0	505.596	3.480	50	0		KGAARN
CCOc1ccc(-n2ccn3c(C[C@@H](C)CC(=O)N4CCN(c5ccccc5)CC4)nnc3c2=O)cc1	ZINC000046005730	554318490	/nfs/dbraw/zinc/31/84/90/554318490.db2.gz	FOIAZFGQAUYPSE-OAQYLSRUSA-N	0	0	500.603	3.196	50	0		KGAARN
CCOc1ccc(-n2ccn3c(C[C@H](C)CC(=O)N4CCN(c5ccccc5)CC4)nnc3c2=O)cc1	ZINC000046005733	554318339	/nfs/dbraw/zinc/31/83/39/554318339.db2.gz	FOIAZFGQAUYPSE-NRFANRHFSA-N	0	0	500.603	3.196	50	0		KGAARN
COc1ccc(CNC(=O)CSc2ncc(S(=O)(=O)c3cc(Cl)cc(Cl)c3)c(=O)[nH]2)cc1	ZINC000046016343	554318460	/nfs/dbraw/zinc/31/84/60/554318460.db2.gz	RINCKACJJQDKGT-UHFFFAOYSA-N	0	0	514.412	3.327	50	0		KGAARN
COc1ccc(C(=O)N2CCN(Cc3cc(=O)n4nc(-c5cccc(C)c5)sc4n3)CC2)cc1OC	ZINC000046031709	554319158	/nfs/dbraw/zinc/31/91/58/554319158.db2.gz	CKCJBXPRUUQWQW-UHFFFAOYSA-N	0	0	505.600	3.102	50	0		KGAARN
COc1ccc(C(=O)N2CCN(Cc3cc(=O)n4nc(-c5ccc(C)cc5)sc4n3)CC2)cc1OC	ZINC000046031727	554319038	/nfs/dbraw/zinc/31/90/38/554319038.db2.gz	PEKFEVUFNUKKNA-UHFFFAOYSA-N	0	0	505.600	3.102	50	0		KGAARN
CCOc1ccc(C(=O)N2CCN(Cc3cc(=O)n4nc(-c5ccccc5OC)sc4n3)CC2)cc1	ZINC000046031878	554319432	/nfs/dbraw/zinc/31/94/32/554319432.db2.gz	XLGIOVIBCDUCFI-UHFFFAOYSA-N	0	0	505.600	3.183	50	0		KGAARN
O=C(COc1ccccc1Cl)N1CCN(Cc2cc(=O)n3nc(-c4cccs4)sc3n2)CC1	ZINC000046031884	554319363	/nfs/dbraw/zinc/31/93/63/554319363.db2.gz	JVMBYMSDPVYBJS-UHFFFAOYSA-N	0	0	502.021	3.256	50	0		KGAARN
CCOc1ccc(C(=O)N2CCN(Cc3cc(=O)n4nc(-c5ccc(OC)cc5)sc4n3)CC2)cc1	ZINC000046031942	554319408	/nfs/dbraw/zinc/31/94/08/554319408.db2.gz	GVRBGXPXAHCVPR-UHFFFAOYSA-N	0	0	505.600	3.183	50	0		KGAARN
COc1ccc(NC(=O)N2CCN(Cc3cc(=O)n4nc(-c5ccccc5C)sc4n3)CC2)cc1OC	ZINC000046031962	554319456	/nfs/dbraw/zinc/31/94/56/554319456.db2.gz	GNYJQHFBTLOBTD-UHFFFAOYSA-N	0	0	520.615	3.493	50	0		KGAARN
COC(=O)c1ccccc1NC(=O)N1CCN(Cc2cc(=O)n3nc(-c4cccc(C)c4)sc3n2)CC1	ZINC000046031972	554319323	/nfs/dbraw/zinc/31/93/23/554319323.db2.gz	NEMCDSPHQNQAFM-UHFFFAOYSA-N	0	0	518.599	3.263	50	0		KGAARN
COC(=O)c1ccccc1NC(=O)N1CCN(Cc2cc(=O)n3nc(-c4ccc(C)cc4)sc3n2)CC1	ZINC000046031984	554319402	/nfs/dbraw/zinc/31/94/02/554319402.db2.gz	LHUGYUDNELPCBO-UHFFFAOYSA-N	0	0	518.599	3.263	50	0		KGAARN
COc1cc(NC(=O)N2CCN(Cc3cc(=O)n4nc(-c5ccc(C)cc5)sc4n3)CC2)cc(OC)c1	ZINC000046031990	554319331	/nfs/dbraw/zinc/31/93/31/554319331.db2.gz	YBGFGECUOJHMLS-UHFFFAOYSA-N	0	0	520.615	3.493	50	0		KGAARN
COC(=O)c1ccc(NC(=O)N2CCN(Cc3cc(=O)n4nc(-c5ccccc5F)sc4n3)CC2)cc1	ZINC000046032026	554319614	/nfs/dbraw/zinc/31/96/14/554319614.db2.gz	UHMGMVZVADEFFG-UHFFFAOYSA-N	0	0	522.562	3.093	50	0		KGAARN
COc1cc(NC(=O)N2CCN(Cc3cc(=O)n4nc(-c5ccccc5F)sc4n3)CC2)cc(OC)c1	ZINC000046032030	554319631	/nfs/dbraw/zinc/31/96/31/554319631.db2.gz	SHRUINKASVAWOE-UHFFFAOYSA-N	0	0	524.578	3.324	50	0		KGAARN
COc1cc(NC(=O)N2CCN(Cc3cc(=O)n4nc(-c5cccc(F)c5)sc4n3)CC2)cc(OC)c1	ZINC000046032055	554319680	/nfs/dbraw/zinc/31/96/80/554319680.db2.gz	OGILVZBDHQEYRX-UHFFFAOYSA-N	0	0	524.578	3.324	50	0		KGAARN
COc1cccc(NC(=O)N2CCN(Cc3cc(=O)n4nc(-c5ccccc5OC)sc4n3)CC2)c1	ZINC000046032083	554319670	/nfs/dbraw/zinc/31/96/70/554319670.db2.gz	AUTHHWMCJQCKEJ-UHFFFAOYSA-N	0	0	506.588	3.185	50	0		KGAARN
COC(=O)c1ccccc1NC(=O)N1CCN(Cc2cc(=O)n3nc(-c4cccs4)sc3n2)CC1	ZINC000046032105	554319685	/nfs/dbraw/zinc/31/96/85/554319685.db2.gz	NTOVKTDSOMXYIJ-UHFFFAOYSA-N	0	0	510.601	3.016	50	0		KGAARN
COC(=O)c1ccc(NC(=O)N2CCN(Cc3cc(=O)n4nc(-c5cccs5)sc4n3)CC2)cc1	ZINC000046032118	554319566	/nfs/dbraw/zinc/31/95/66/554319566.db2.gz	SLOXEMMQQQKYIY-UHFFFAOYSA-N	0	0	510.601	3.016	50	0		KGAARN
CCCSc1ncc(Br)c(C(=O)N[C@@H](Cc2ccccc2)C(=O)NCCCC(=O)OC)n1	ZINC000046085593	554320152	/nfs/dbraw/zinc/32/01/52/554320152.db2.gz	ZGONXFISWHBNSB-KRWDZBQOSA-N	0	0	523.453	3.152	50	0		KGAARN
CCCSc1ncc(Br)c(C(=O)N[C@H](Cc2ccccc2)C(=O)NCCCC(=O)OC)n1	ZINC000046085594	554320141	/nfs/dbraw/zinc/32/01/41/554320141.db2.gz	ZGONXFISWHBNSB-QGZVFWFLSA-N	0	0	523.453	3.152	50	0		KGAARN
COCCNC(=O)CCCNC(=O)c1nc(SCc2ccccc2Cl)ncc1Br	ZINC000046085625	554320096	/nfs/dbraw/zinc/32/00/96/554320096.db2.gz	SYRJACKMQDYKSA-UHFFFAOYSA-N	0	0	501.834	3.457	50	0		KGAARN
CCCS(=O)(=O)c1ncc(Br)c(C(=O)NCCCC(=O)Nc2ccc(Cl)cc2)n1	ZINC000046085650	554320160	/nfs/dbraw/zinc/32/01/60/554320160.db2.gz	JMNMQVLWBSNBSO-UHFFFAOYSA-N	0	0	503.806	3.225	50	0		KGAARN
Cc1ccc(CNC(=O)CCNC(=O)c2nc(S(=O)(=O)Cc3ccc(C)cc3)ncc2Cl)cc1	ZINC000046085980	554320112	/nfs/dbraw/zinc/32/01/12/554320112.db2.gz	RNYDPCXYNYZXID-UHFFFAOYSA-N	0	0	501.008	3.157	50	0		KGAARN
COCCCNC(=O)CCNC(=O)c1nc(SCc2ccccc2Cl)ncc1Br	ZINC000046086652	554320324	/nfs/dbraw/zinc/32/03/24/554320324.db2.gz	DIDUCJBMVOULKA-UHFFFAOYSA-N	0	0	501.834	3.457	50	0		KGAARN
COc1ccc(S(=O)(=O)N2CCC[C@H](c3nnc(C(=O)Nc4ccc5c(c4)OCO5)s3)C2)cc1	ZINC000046124888	554320632	/nfs/dbraw/zinc/32/06/32/554320632.db2.gz	MTGXSRLLRBCSBD-AWEZNQCLSA-N	0	0	502.574	3.096	50	0		KGAARN
COc1ccc(S(=O)(=O)N2CCC[C@@H](c3nnc(C(=O)Nc4ccc5c(c4)OCO5)s3)C2)cc1	ZINC000046124891	554320646	/nfs/dbraw/zinc/32/06/46/554320646.db2.gz	MTGXSRLLRBCSBD-CQSZACIVSA-N	0	0	502.574	3.096	50	0		KGAARN
CCOc1ccc(S(=O)(=O)N2CCC[C@H](c3nnc(C(=O)Nc4ccc5c(c4)OCO5)s3)C2)cc1	ZINC000046124989	554320587	/nfs/dbraw/zinc/32/05/87/554320587.db2.gz	MYRSYHOQBFWDJG-HNNXBMFYSA-N	0	0	516.601	3.486	50	0		KGAARN
CCOc1ccc(S(=O)(=O)N2CCC[C@@H](c3nnc(C(=O)Nc4ccc5c(c4)OCO5)s3)C2)cc1	ZINC000046124992	554320899	/nfs/dbraw/zinc/32/08/99/554320899.db2.gz	MYRSYHOQBFWDJG-OAHLLOKOSA-N	0	0	516.601	3.486	50	0		KGAARN
O=C(Nc1ccc2c(c1)OCO2)c1nnc([C@@H]2CCCN(S(=O)(=O)c3ccc(F)c(F)c3)C2)s1	ZINC000046125001	554320843	/nfs/dbraw/zinc/32/08/43/554320843.db2.gz	XBUCWYTWJSHRSV-GFCCVEGCSA-N	0	0	508.528	3.366	50	0		KGAARN
O=C(Nc1ccc2c(c1)OCO2)c1nnc([C@H]2CCCN(S(=O)(=O)c3ccc(F)c(F)c3)C2)s1	ZINC000046125004	554320819	/nfs/dbraw/zinc/32/08/19/554320819.db2.gz	XBUCWYTWJSHRSV-LBPRGKRZSA-N	0	0	508.528	3.366	50	0		KGAARN
CC(=O)c1ccc(S(=O)(=O)N2CCC[C@H](c3nnc(C(=O)Nc4ccc5c(c4)OCO5)s3)C2)cc1	ZINC000046125014	554320821	/nfs/dbraw/zinc/32/08/21/554320821.db2.gz	QLFINRBLKFUJGI-INIZCTEOSA-N	0	0	514.585	3.290	50	0		KGAARN
CC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H](c3nnc(C(=O)Nc4ccc5c(c4)OCO5)s3)C2)cc1	ZINC000046125017	554320883	/nfs/dbraw/zinc/32/08/83/554320883.db2.gz	QLFINRBLKFUJGI-MRXNPFEDSA-N	0	0	514.585	3.290	50	0		KGAARN
COC(=O)c1ccc(C(=O)OC)c(NC(=O)N2CCN(Cc3nc4cccnc4n3-c3ccccc3)CC2)c1	ZINC000046914464	554321118	/nfs/dbraw/zinc/32/11/18/554321118.db2.gz	ACYYVJALPNNHMB-UHFFFAOYSA-N	0	0	528.569	3.343	50	0		KGAARN
COc1cc(OC)cc([C@@H](NC(=O)N[C@H](c2nccn2C)c2cc(OC)cc(OC)c2)c2nccn2C)c1	ZINC000048375354	554321853	/nfs/dbraw/zinc/32/18/53/554321853.db2.gz	CSGMZLVJHBRPEM-PSWAGMNNSA-N	0	0	520.590	3.366	50	0		KGAARN
COc1cc(OC)cc([C@H](NC(=O)N[C@H](c2nccn2C)c2cc(OC)cc(OC)c2)c2nccn2C)c1	ZINC000048375355	554321802	/nfs/dbraw/zinc/32/18/02/554321802.db2.gz	CSGMZLVJHBRPEM-ZEQRLZLVSA-N	0	0	520.590	3.366	50	0		KGAARN
COc1cc(OC)cc([C@@H](NC(=O)N[C@@H](c2nccn2C)c2cc(OC)cc(OC)c2)c2nccn2C)c1	ZINC000048375356	554321872	/nfs/dbraw/zinc/32/18/72/554321872.db2.gz	CSGMZLVJHBRPEM-DNQXCXABSA-N	0	0	520.590	3.366	50	0		KGAARN
Cn1cc(C(=O)Nc2ccc3c(c2)CCC3)c(S(=O)(=O)N2CCN(c3ccc(Cl)cc3)CC2)n1	ZINC000049400436	554323145	/nfs/dbraw/zinc/32/31/45/554323145.db2.gz	AILDOKVQJRPUPI-UHFFFAOYSA-N	0	0	500.024	3.325	50	0		KGAARN
COc1cc2c(cc1OC)CN(Cc1cc(=O)c(OCC(=O)Nc3ccc(NC(C)=O)cc3)co1)CC2	ZINC000049543154	554323647	/nfs/dbraw/zinc/32/36/47/554323647.db2.gz	JXYYVGUKGJEDBY-UHFFFAOYSA-N	0	0	507.543	3.191	50	0	biogenic	KGAARN
COc1cc2c(cc1OC)CN(Cc1cc(=O)c(OCC(=O)NCCc3c[nH]c4ccccc34)co1)CC2	ZINC000049543523	554323659	/nfs/dbraw/zinc/32/36/59/554323659.db2.gz	CJTHOIGUMFEAQE-UHFFFAOYSA-N	0	0	517.582	3.434	50	0	biogenic	KGAARN
COc1cc2c(cc1OC)CN(Cc1cc(=O)c(OCC(=O)Nc3cccc(NC(C)=O)c3)co1)CC2	ZINC000049543577	554323630	/nfs/dbraw/zinc/32/36/30/554323630.db2.gz	FAAYPHHOKUNNHH-UHFFFAOYSA-N	0	0	507.543	3.191	50	0	biogenic	KGAARN
Cn1c2ccc(S(=O)(=O)N3CCC[C@H](C(=O)N4CCN(C(c5ccccc5)c5ccccc5)CC4)C3)cc2oc1=O	ZINC000049757120	554324813	/nfs/dbraw/zinc/32/48/13/554324813.db2.gz	YRDFVFWHPCEDIZ-VWLOTQADSA-N	0	0	574.703	3.466	50	0		KGAARN
Cn1c2ccc(S(=O)(=O)N3CCC[C@@H](C(=O)N4CCN(C(c5ccccc5)c5ccccc5)CC4)C3)cc2oc1=O	ZINC000049757121	554324840	/nfs/dbraw/zinc/32/48/40/554324840.db2.gz	YRDFVFWHPCEDIZ-RUZDIDTESA-N	0	0	574.703	3.466	50	0		KGAARN
CC(C)C12CN(S(=O)(=O)c3ccccc3)CC(C(C)C)(CN(S(=O)(=O)c3ccccc3)C1)C2=O	ZINC000051330894	554329283	/nfs/dbraw/zinc/32/92/83/554329283.db2.gz	GUOSZPCCCLXSLC-UHFFFAOYSA-N	0	0	504.674	3.249	50	0		KGAARN
CN1C(=O)N(C)[C@@]2(c3ccccc3)Nn3c(=O)/c(=C\c4ccccc4Br)sc3=N[C@@]12c1ccccc1	ZINC000053275967	554330652	/nfs/dbraw/zinc/33/06/52/554330652.db2.gz	UJXGQTSCGXDWSB-IPDKQNQHSA-N	0	0	560.477	3.381	50	0		KGAARN
CN1C(=O)N(C)[C@@]2(c3ccccc3)Nn3c(=O)/c(=C/c4ccccc4Br)sc3=N[C@@]12c1ccccc1	ZINC000053275968	554330669	/nfs/dbraw/zinc/33/06/69/554330669.db2.gz	UJXGQTSCGXDWSB-COIWSGPDSA-N	0	0	560.477	3.381	50	0		KGAARN
CCOC(=O)C1=C(C)n2c(=O)/c(=C\c3cc(Br)c(O)c(OC)c3)sc2=N[C@H]1c1ccc(O)c(OC)c1	ZINC000053288148	554331000	/nfs/dbraw/zinc/33/10/00/554331000.db2.gz	AGLKALMWFDJORG-KEBMYNNESA-N	0	0	575.437	3.098	50	0		KGAARN
CCOC(=O)C1=C(C)n2c(=O)/c(=C\c3cc(Br)c(O)c(OC)c3)sc2=N[C@@H]1c1ccc(O)c(OC)c1	ZINC000053288153	554330933	/nfs/dbraw/zinc/33/09/33/554330933.db2.gz	AGLKALMWFDJORG-IDQDRXHYSA-N	0	0	575.437	3.098	50	0		KGAARN
CCOc1cc(-c2nc3c(c(=O)[nH]c(=O)n3CCOC)n2Cc2ccccc2)cc(Br)c1OC	ZINC000053356119	554344607	/nfs/dbraw/zinc/34/46/07/554344607.db2.gz	PIRXAKFAYYENCE-UHFFFAOYSA-N	0	0	529.391	3.418	50	0		KGAARN
COC(=O)c1ccc2c(c1)nc(SCC(=O)Nc1ccc(C)c(Cl)c1)n(CCN1CCOCC1)c2=O	ZINC000053366303	554347569	/nfs/dbraw/zinc/34/75/69/554347569.db2.gz	QEUXPDFPKRJOMK-UHFFFAOYSA-N	0	0	531.034	3.208	50	0		KGAARN
COCCn1cnc2c1c(=O)n(CC(=O)N(Cc1ccccc1)Cc1ccccc1)c(=O)n2Cc1ccccc1	ZINC000053392529	554348771	/nfs/dbraw/zinc/34/87/71/554348771.db2.gz	VVHAMLVYBDIXKZ-UHFFFAOYSA-N	0	0	537.620	3.283	50	0		KGAARN
CC(C)C[C@H]1C(=O)N2CCC[C@H]2[C@]2(O)O[C@](NC(=O)[C@@H]3C=C4c5cccc6[nH]c(Br)c(c65)C[C@H]4N(C)C3)(C(C)C)C(=O)N12	ZINC000053683151	554348794	/nfs/dbraw/zinc/34/87/94/554348794.db2.gz	OZVBMTJYIDMWIL-AYFBDAFISA-N	0	0	654.606	3.193	50	0	fda	KGAARN
Cn1c2nc(CN3CCN(c4cccc(Cl)c4)CC3)n(Cc3c(F)cccc3Cl)c2c(=O)[nH]c1=O	ZINC000056895979	554350995	/nfs/dbraw/zinc/35/09/95/554350995.db2.gz	SNLFDNZGDWLQOA-UHFFFAOYSA-N	0	0	517.392	3.240	50	0		KGAARN
COc1ccccc1N1CCN([C@@H](CNC(=O)c2cc(OC)c(OC)c(OC)c2)c2cccnc2)CC1	ZINC000056896222	554350986	/nfs/dbraw/zinc/35/09/86/554350986.db2.gz	FUXHVGIUGFALGR-QHCPKHFHSA-N	0	0	506.603	3.409	50	0		KGAARN
COc1ccccc1N1CCN([C@H](CNC(=O)c2cc(OC)c(OC)c(OC)c2)c2cccnc2)CC1	ZINC000056896224	554351081	/nfs/dbraw/zinc/35/10/81/554351081.db2.gz	FUXHVGIUGFALGR-HSZRJFAPSA-N	0	0	506.603	3.409	50	0		KGAARN
Cn1c2nc(CN3CCN(c4ccccc4)CC3)n(Cc3c(Cl)cccc3Cl)c2c(=O)n(C)c1=O	ZINC000056918677	554351409	/nfs/dbraw/zinc/35/14/09/554351409.db2.gz	YQAOVCSUQTUDKH-UHFFFAOYSA-N	0	0	513.429	3.111	50	0		KGAARN
O=C(NCCc1c[nH]c2ccccc12)C(=O)NC[C@@H](c1ccco1)N1CCN(c2ccc(F)cc2)CC1	ZINC000056945581	554351330	/nfs/dbraw/zinc/35/13/30/554351330.db2.gz	LCHUDMHVPFINHM-VWLOTQADSA-N	0	0	503.578	3.238	50	0	aggregator	KGAARN
O=C(NCCc1c[nH]c2ccccc12)C(=O)NC[C@H](c1ccco1)N1CCN(c2ccc(F)cc2)CC1	ZINC000056945582	554351446	/nfs/dbraw/zinc/35/14/46/554351446.db2.gz	LCHUDMHVPFINHM-RUZDIDTESA-N	0	0	503.578	3.238	50	0	aggregator	KGAARN
O=C(NCCc1c[nH]c2ccccc12)C(=O)NC[C@@H](c1ccco1)N1CCN(c2ccccc2F)CC1	ZINC000056945843	554351289	/nfs/dbraw/zinc/35/12/89/554351289.db2.gz	FIZURMAINAWCJS-VWLOTQADSA-N	0	0	503.578	3.238	50	0		KGAARN
O=C(NCCc1c[nH]c2ccccc12)C(=O)NC[C@H](c1ccco1)N1CCN(c2ccccc2F)CC1	ZINC000056945844	554351405	/nfs/dbraw/zinc/35/14/05/554351405.db2.gz	FIZURMAINAWCJS-RUZDIDTESA-N	0	0	503.578	3.238	50	0		KGAARN
Cn1c2nc(CN3CCN(c4ccccc4)CC3)n(Cc3ccc(Cl)c(Cl)c3)c2c(=O)n(C)c1=O	ZINC000056966675	554351618	/nfs/dbraw/zinc/35/16/18/554351618.db2.gz	GPMPUSATKKADKG-UHFFFAOYSA-N	0	0	513.429	3.111	50	0		KGAARN
Cn1c2nc(CN3CCN(c4cccc(Cl)c4)CC3)n(Cc3ccc(Cl)cc3)c2c(=O)n(C)c1=O	ZINC000057010849	554351641	/nfs/dbraw/zinc/35/16/41/554351641.db2.gz	ALXLHZPGFNDITL-UHFFFAOYSA-N	0	0	513.429	3.111	50	0		KGAARN
Cn1c2nc(CN3CCN(c4cccc(Cl)c4)CC3)n(Cc3ccccc3Cl)c2c(=O)n(C)c1=O	ZINC000057010866	554351616	/nfs/dbraw/zinc/35/16/16/554351616.db2.gz	PEHCTHHMAOUCNU-UHFFFAOYSA-N	0	0	513.429	3.111	50	0		KGAARN
Cn1c2nc(CN3CCN(c4ccccc4F)CC3)n(Cc3cccc4ccccc43)c2c(=O)n(C)c1=O	ZINC000057010900	554351648	/nfs/dbraw/zinc/35/16/48/554351648.db2.gz	ICUPWCKQZMATMS-UHFFFAOYSA-N	0	0	512.589	3.097	50	0		KGAARN
Cn1c2nc(CN3CCN(c4ccc(F)cc4)CC3)n(Cc3cccc4ccccc43)c2c(=O)n(C)c1=O	ZINC000057010903	554351614	/nfs/dbraw/zinc/35/16/14/554351614.db2.gz	KEUWHHGBBQIYKW-UHFFFAOYSA-N	0	0	512.589	3.097	50	0		KGAARN
Cn1c2nc(CN3CCN(c4cccc(Cl)c4)CC3)n(Cc3cccc(Cl)c3)c2c(=O)n(C)c1=O	ZINC000057010909	554351686	/nfs/dbraw/zinc/35/16/86/554351686.db2.gz	WCDBGQIBKSOVMP-UHFFFAOYSA-N	0	0	513.429	3.111	50	0		KGAARN
Cn1c2nc(CN3CCN(c4ccccc4)CC3)n(Cc3ccc(Cl)cc3Cl)c2c(=O)n(C)c1=O	ZINC000057010916	554351621	/nfs/dbraw/zinc/35/16/21/554351621.db2.gz	DSGRIQGBIHYRTA-UHFFFAOYSA-N	0	0	513.429	3.111	50	0		KGAARN
COC(=O)c1[nH]c2ccc(Br)cc2c1NC(=O)CN1CCN(c2ccccc2OC)CC1	ZINC000057050727	554352000	/nfs/dbraw/zinc/35/20/00/554352000.db2.gz	UBSHSPGNGRHIMO-UHFFFAOYSA-N	0	0	501.381	3.486	50	0		KGAARN
Cn1c2nc(CN3CCN(c4cccc(Cl)c4)CC3)n(CCCc3ccccc3)c2c(=O)n(C)c1=O	ZINC000057122050	554352813	/nfs/dbraw/zinc/35/28/13/554352813.db2.gz	IOXLILKUHKHBIF-UHFFFAOYSA-N	0	0	507.038	3.042	50	0		KGAARN
COc1cc(Cc2ccc(NC(=O)CSc3nncn3C)c(OC)c2)ccc1NC(=O)CSc1nncn1C	ZINC000059089645	554372186	/nfs/dbraw/zinc/37/21/86/554372186.db2.gz	FANJFICACWYOJT-UHFFFAOYSA-N	0	0	568.685	3.013	50	0		KGAARN
COc1ccc(NC(=O)c2ccc(-n3nnnc3[C@H]3c4c(cc5c(c4OC)OCO5)CCN3C)cc2)c(OC)c1	ZINC000059101245	554377523	/nfs/dbraw/zinc/37/75/23/554377523.db2.gz	ONMALTHBAFQVKL-XMMPIXPASA-N	0	0	544.568	3.246	50	0	biogenic	KGAARN
COc1ccc(NC(=O)c2ccc(-n3nnnc3[C@@H]3c4c(cc5c(c4OC)OCO5)CCN3C)cc2)c(OC)c1	ZINC000059101248	554377579	/nfs/dbraw/zinc/37/75/79/554377579.db2.gz	ONMALTHBAFQVKL-DEOSSOPVSA-N	0	0	544.568	3.246	50	0	biogenic	KGAARN
COc1c2c(cc3c1[C@H](c1nnnn1-c1ccc(C(=O)N4CCN(c5ccc(F)cc5)CC4)cc1)N(C)CC3)OCO2	ZINC000059101644	554377815	/nfs/dbraw/zinc/37/78/15/554377815.db2.gz	ZHXIUDWJNIUPIN-AREMUKBSSA-N	0	0	571.613	3.078	50	0	biogenic	KGAARN
COc1c2c(cc3c1[C@@H](c1nnnn1-c1ccc(C(=O)N4CCN(c5ccc(F)cc5)CC4)cc1)N(C)CC3)OCO2	ZINC000059101647	554377812	/nfs/dbraw/zinc/37/78/12/554377812.db2.gz	ZHXIUDWJNIUPIN-SANMLTNESA-N	0	0	571.613	3.078	50	0	biogenic	KGAARN
CCOC(=O)c1cccc(NC(=O)c2cccc(-n3nnnc3[C@@H]3c4c(cc5c(c4OC)OCO5)CCN3C)c2)c1	ZINC000059101810	554378033	/nfs/dbraw/zinc/37/80/33/554378033.db2.gz	BJSYQEPKTZFMLV-DEOSSOPVSA-N	0	0	556.579	3.406	50	0	biogenic	KGAARN
CCOC(=O)c1cccc(NC(=O)c2cccc(-n3nnnc3[C@H]3c4c(cc5c(c4OC)OCO5)CCN3C)c2)c1	ZINC000059101813	554378114	/nfs/dbraw/zinc/37/81/14/554378114.db2.gz	BJSYQEPKTZFMLV-XMMPIXPASA-N	0	0	556.579	3.406	50	0	biogenic	KGAARN
COc1c2c(cc3c1[C@H](c1nnnn1-c1cccc(C(=O)N4CCN(c5ccc(F)cc5)CC4)c1)N(C)CC3)OCO2	ZINC000059101901	554378023	/nfs/dbraw/zinc/37/80/23/554378023.db2.gz	PWCYIIBPFNUUKQ-AREMUKBSSA-N	0	0	571.613	3.078	50	0	biogenic	KGAARN
COc1c2c(cc3c1[C@@H](c1nnnn1-c1cccc(C(=O)N4CCN(c5ccc(F)cc5)CC4)c1)N(C)CC3)OCO2	ZINC000059101904	554378014	/nfs/dbraw/zinc/37/80/14/554378014.db2.gz	PWCYIIBPFNUUKQ-SANMLTNESA-N	0	0	571.613	3.078	50	0	biogenic	KGAARN
COc1ccc(CC(=O)NCc2nnc(SCC(=O)Nc3ccc(I)cc3C)n2C)cc1	ZINC000059192678	554384438	/nfs/dbraw/zinc/38/44/38/554384438.db2.gz	QYCOBOGWOMXAAF-UHFFFAOYSA-N	0	0	565.437	3.326	50	0		KGAARN
CC(=O)OC[C@H]1O[C@@H](Sc2ccccc2)[C@H](NC(=O)OCC(Cl)(Cl)Cl)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000059303195	554388007	/nfs/dbraw/zinc/38/80/07/554388007.db2.gz	AZDNCEYOFMNMSH-NNIGNNQHSA-N	0	0	572.847	3.395	50	0		KGAARN
Cc1c(C(=O)N(C)C)sc2c1c(=O)n(-c1ccc(Cl)cc1)c(=O)n2CC(=O)N1CCN(c2ccccc2)CC1	ZINC000059503764	554399887	/nfs/dbraw/zinc/39/98/87/554399887.db2.gz	UEVOSRKVDNUFCN-UHFFFAOYSA-N	0	0	566.083	3.226	50	0		KGAARN
COc1ccc(OC)c(NC(=O)Cn2cnc3sc(C)c(S(=O)(=O)N4C[C@H](C)C[C@H](C)C4)c3c2=O)c1	ZINC000059504103	554400484	/nfs/dbraw/zinc/40/04/84/554400484.db2.gz	LAMPSABFRQDAKC-GASCZTMLSA-N	0	0	534.660	3.089	50	0		KGAARN
COc1ccc(OC)c(NC(=O)Cn2cnc3sc(C)c(S(=O)(=O)N4C[C@@H](C)C[C@H](C)C4)c3c2=O)c1	ZINC000059504106	554400513	/nfs/dbraw/zinc/40/05/13/554400513.db2.gz	LAMPSABFRQDAKC-GJZGRUSLSA-N	0	0	534.660	3.089	50	0		KGAARN
COc1ccc(OC)c(NC(=O)Cn2cnc3sc(C)c(S(=O)(=O)N4C[C@H](C)C[C@@H](C)C4)c3c2=O)c1	ZINC000059504110	554400572	/nfs/dbraw/zinc/40/05/72/554400572.db2.gz	LAMPSABFRQDAKC-HUUCEWRRSA-N	0	0	534.660	3.089	50	0		KGAARN
CC1CCN(S(=O)(=O)c2ccc3nc(-c4ccccn4)cc(C(=O)NCCCN4CCOCC4)c3c2)CC1	ZINC000059514514	554401568	/nfs/dbraw/zinc/40/15/68/554401568.db2.gz	UEEHCKFENYQUMM-UHFFFAOYSA-N	0	0	537.686	3.170	50	0		KGAARN
COc1ccc(C)cc1NC(=O)Cn1cnc2sc(C)c(S(=O)(=O)N3CCN(c4ccccc4OC)CC3)c2c1=O	ZINC000059515080	554402223	/nfs/dbraw/zinc/40/22/23/554402223.db2.gz	UKZJTBADAGWDBW-UHFFFAOYSA-N	0	0	597.719	3.242	50	0		KGAARN
CCC(=O)N1CCc2cc(S(=O)(=O)N(c3cccnc3)S(=O)(=O)c3ccc4c(c3)CCN4C(=O)CC)ccc21	ZINC000059521980	554403362	/nfs/dbraw/zinc/40/33/62/554403362.db2.gz	RAAIKXPENSUYCC-UHFFFAOYSA-N	0	0	568.677	3.264	50	0		KGAARN
O=C(Oc1cccc(N2C(=O)c3ccccc3C2=O)c1)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1	ZINC000059522175	554403307	/nfs/dbraw/zinc/40/33/07/554403307.db2.gz	PHYABRXWIITFIR-UHFFFAOYSA-N	0	0	526.954	3.381	50	0		KGAARN
O=C(c1ccco1)N1CCN(c2nc3c(S(=O)(=O)c4ccc(Br)cc4)nnn3c3ccccc32)CC1	ZINC000059522902	554403942	/nfs/dbraw/zinc/40/39/42/554403942.db2.gz	VWHCARWPTCMCOK-UHFFFAOYSA-N	0	0	567.425	3.428	50	0		KGAARN
COc1ccccc1N1CCN(S(=O)(=O)c2c(C)sc3ncn(CC(=O)N[C@@H]4CCC[C@H](C)[C@@H]4C)c(=O)c32)CC1	ZINC000059523447	554404590	/nfs/dbraw/zinc/40/45/90/554404590.db2.gz	BNWWNJOUZMXGGH-IRFCIJBXSA-N	0	0	587.768	3.227	50	0		KGAARN
COc1ccccc1N1CCN(S(=O)(=O)c2c(C)sc3ncn(CC(=O)N[C@@H]4CCC[C@@H](C)[C@@H]4C)c(=O)c32)CC1	ZINC000059523458	554404606	/nfs/dbraw/zinc/40/46/06/554404606.db2.gz	BNWWNJOUZMXGGH-SVFBPWRDSA-N	0	0	587.768	3.227	50	0		KGAARN
COc1ccccc1N1CCN(S(=O)(=O)c2c(C)sc3ncn(CC(=O)NC4CCCCCC4)c(=O)c32)CC1	ZINC000059523469	554404631	/nfs/dbraw/zinc/40/46/31/554404631.db2.gz	PIUZZNBJKVUJGN-UHFFFAOYSA-N	0	0	573.741	3.125	50	0		KGAARN
CC1CCN(S(=O)(=O)c2ccc3nc(-c4cccnc4)cc(C(=O)NCCCN4CCOCC4)c3c2)CC1	ZINC000059524255	554405368	/nfs/dbraw/zinc/40/53/68/554405368.db2.gz	LAHQTHNUCAJION-UHFFFAOYSA-N	0	0	537.686	3.170	50	0		KGAARN
COc1ccc(NC(=O)Cn2cnc3sc(C)c(S(=O)(=O)N4C[C@H](C)C[C@H](C)C4)c3c2=O)cc1OC	ZINC000059524716	554405867	/nfs/dbraw/zinc/40/58/67/554405867.db2.gz	WHQYGCKPIOPJIP-GASCZTMLSA-N	0	0	534.660	3.089	50	0		KGAARN
COc1ccc(NC(=O)Cn2cnc3sc(C)c(S(=O)(=O)N4C[C@@H](C)C[C@H](C)C4)c3c2=O)cc1OC	ZINC000059524719	554405876	/nfs/dbraw/zinc/40/58/76/554405876.db2.gz	WHQYGCKPIOPJIP-GJZGRUSLSA-N	0	0	534.660	3.089	50	0		KGAARN
COc1ccc(NC(=O)Cn2cnc3sc(C)c(S(=O)(=O)N4C[C@H](C)C[C@@H](C)C4)c3c2=O)cc1OC	ZINC000059524722	554405899	/nfs/dbraw/zinc/40/58/99/554405899.db2.gz	WHQYGCKPIOPJIP-HUUCEWRRSA-N	0	0	534.660	3.089	50	0		KGAARN
O=C(Cn1c(=O)n(CCC(=O)N2CCc3ccccc3C2)c(=O)c2ccccc21)NCc1ccccc1Cl	ZINC000059524846	554406201	/nfs/dbraw/zinc/40/62/01/554406201.db2.gz	SRUVJNYVKDSZIO-UHFFFAOYSA-N	0	0	531.012	3.108	50	0		KGAARN
O=C(Cc1ccc(-n2c(=O)c3ccccc3n(Cc3cc(=O)n4ccccc4n3)c2=O)cc1)NCCc1ccccc1	ZINC000059524851	554406135	/nfs/dbraw/zinc/40/61/35/554406135.db2.gz	PCKVYMDHUPIWBS-UHFFFAOYSA-N	0	0	557.610	3.110	50	0		KGAARN
COc1ccc(C(=O)N2CCN(Cc3cc(=O)n4nc(-c5ccccc5C)sc4n3)CC2)cc1OC	ZINC000059560490	554407173	/nfs/dbraw/zinc/40/71/73/554407173.db2.gz	GZCXSBHZCOUDSI-UHFFFAOYSA-N	0	0	505.600	3.102	50	0		KGAARN
CCOc1ccc(C(=O)N2CCN(Cc3cc(=O)n4nc(-c5cccc(OC)c5)sc4n3)CC2)cc1	ZINC000059560492	554407090	/nfs/dbraw/zinc/40/70/90/554407090.db2.gz	YIVYBAXTFIKHBK-UHFFFAOYSA-N	0	0	505.600	3.183	50	0		KGAARN
CC1=C(C(=O)Nc2ccc(I)cc2)[C@H](c2ccc3c(c2)OCO3)n2nc(CCCO)nc2N1	ZINC000059587061	554407677	/nfs/dbraw/zinc/40/76/77/554407677.db2.gz	CWKNFYKNEWOTTC-NRFANRHFSA-N	0	0	559.364	3.464	50	0		KGAARN
COc1ccc(OC)c(N(CC(=O)N2CCN(c3ccc(F)cc3)CC2)S(=O)(=O)c2ccc(OC)c(OC)c2)c1	ZINC000059595586	554407929	/nfs/dbraw/zinc/40/79/29/554407929.db2.gz	XXKLTFPRCHRHMF-UHFFFAOYSA-N	0	0	573.643	3.404	50	0		KGAARN
COc1ccc(C(=O)NCc2nnc(SCC(=O)Nc3ccc(I)cc3C)n2C)cc1OC	ZINC000059595604	554408017	/nfs/dbraw/zinc/40/80/17/554408017.db2.gz	JJFLHBKHAOHQLE-UHFFFAOYSA-N	0	0	581.436	3.406	50	0		KGAARN
COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)c2cccc(Cl)c2)cc1	ZINC000059595685	554408220	/nfs/dbraw/zinc/40/82/20/554408220.db2.gz	AXGCMDRENISLQX-UHFFFAOYSA-N	0	0	580.084	3.204	50	0		KGAARN
C[C@H](NS(=O)(=O)c1ccc(OCC(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1)c1ccccc1	ZINC000059595690	554408222	/nfs/dbraw/zinc/40/82/22/554408222.db2.gz	LCVAIGTWTFWLLP-NRFANRHFSA-N	0	0	537.638	3.178	50	0		KGAARN
C[C@@H](NS(=O)(=O)c1ccc(OCC(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1)c1ccccc1	ZINC000059595696	554408231	/nfs/dbraw/zinc/40/82/31/554408231.db2.gz	LCVAIGTWTFWLLP-OAQYLSRUSA-N	0	0	537.638	3.178	50	0		KGAARN
COc1ccc(OC)c(N(CC(=O)N2CCN(Cc3ccccc3)CC2)S(=O)(=O)c2ccc(OC)c(OC)c2)c1	ZINC000059595749	554408237	/nfs/dbraw/zinc/40/82/37/554408237.db2.gz	CAQCNCZTYKBMPY-UHFFFAOYSA-N	0	0	569.680	3.261	50	0		KGAARN
COc1ccc(S(=O)(=O)N(CC(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)c2ccc(F)cc2)cc1OC	ZINC000059595877	554408260	/nfs/dbraw/zinc/40/82/60/554408260.db2.gz	YSZUAWPBKIXKQB-UHFFFAOYSA-N	0	0	571.627	3.111	50	0		KGAARN
Cn1c(CN2CCOCC2)nnc1SCC(=O)Nc1sc2c(c1C(=O)NCc1ccccc1)CCCC2	ZINC000059596482	554408767	/nfs/dbraw/zinc/40/87/67/554408767.db2.gz	ZPTWXLMSIFZOPS-UHFFFAOYSA-N	0	0	540.715	3.248	50	0		KGAARN
COc1ccc(C(OC[C@H]2O[C@@H](n3ccc(N)nc3=O)C[C@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1	ZINC000059601420	554409155	/nfs/dbraw/zinc/40/91/55/554409155.db2.gz	XMBLVFBRAADPJF-STROYTFGSA-N	0	0	529.593	3.500	50	0		KGAARN
COc1ccc(C(OC[C@H]2O[C@@H](n3ccc(N)nc3=O)C[C@@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1	ZINC000059601424	554409184	/nfs/dbraw/zinc/40/91/84/554409184.db2.gz	XMBLVFBRAADPJF-ZRRKCSAHSA-N	0	0	529.593	3.500	50	0		KGAARN
COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)S(=O)(=O)c2ccccc2)c(OC)c1	ZINC000059602967	554409338	/nfs/dbraw/zinc/40/93/38/554409338.db2.gz	PIAVVCWXVYXLPF-UHFFFAOYSA-N	0	0	559.666	3.322	50	0		KGAARN
COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2C(=O)N2CCOCC2)c2ccccc2)cc1OC	ZINC000059603100	554409330	/nfs/dbraw/zinc/40/93/30/554409330.db2.gz	DHZIJCYSBOWPMC-UHFFFAOYSA-N	0	0	539.610	3.010	50	0		KGAARN
O=C(COc1ccc(S(=O)(=O)NCc2ccccc2)cc1Cl)N1CCN(Cc2ccc3c(c2)OCO3)CC1	ZINC000059603190	554409703	/nfs/dbraw/zinc/40/97/03/554409703.db2.gz	UWCAODWDZADBJP-UHFFFAOYSA-N	0	0	558.056	3.270	50	0		KGAARN
COCCNC(=O)c1ccccc1NC(=O)CN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccc(C)cc1	ZINC000059603208	554409712	/nfs/dbraw/zinc/40/97/12/554409712.db2.gz	CNIFHQPKTYZGDU-UHFFFAOYSA-N	0	0	541.626	3.222	50	0		KGAARN
COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)c2ccc(F)cc2)cc1OC	ZINC000059603235	554409665	/nfs/dbraw/zinc/40/96/65/554409665.db2.gz	UKRLYVSKTXNRAK-UHFFFAOYSA-N	0	0	577.656	3.461	50	0		KGAARN
COc1ccc(-n2c(=O)c3cc(I)ccc3nc2S[C@@H](C)C(=O)N2CCOCC2)cc1	ZINC000059603262	554409658	/nfs/dbraw/zinc/40/96/58/554409658.db2.gz	FBVWOBKGKRDSGW-AWEZNQCLSA-N	0	0	551.406	3.338	50	0		KGAARN
COc1ccc(-n2c(=O)c3cc(I)ccc3nc2S[C@H](C)C(=O)N2CCOCC2)cc1	ZINC000059603265	554409741	/nfs/dbraw/zinc/40/97/41/554409741.db2.gz	FBVWOBKGKRDSGW-CQSZACIVSA-N	0	0	551.406	3.338	50	0		KGAARN
COCCNC(=O)c1ccccc1NC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1	ZINC000059603278	554409669	/nfs/dbraw/zinc/40/96/69/554409669.db2.gz	GYFKOUBBCOQURW-UHFFFAOYSA-N	0	0	545.589	3.053	50	0		KGAARN
C[C@H](NC(=O)c1ccccc1Cl)c1nnc(SCC(=O)Nc2cccc(C(=O)N3CCOCC3)c2)n1C	ZINC000059603495	554409917	/nfs/dbraw/zinc/40/99/17/554409917.db2.gz	YCUSEPLZDAVCLA-INIZCTEOSA-N	0	0	543.049	3.163	50	0		KGAARN
C[C@@H](NC(=O)c1ccccc1Cl)c1nnc(SCC(=O)Nc2cccc(C(=O)N3CCOCC3)c2)n1C	ZINC000059603496	554409895	/nfs/dbraw/zinc/40/98/95/554409895.db2.gz	YCUSEPLZDAVCLA-MRXNPFEDSA-N	0	0	543.049	3.163	50	0		KGAARN
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)Nc2ccccc2C(=O)OC)cc(I)c1O	ZINC000059603533	554409880	/nfs/dbraw/zinc/40/98/80/554409880.db2.gz	VFOCHXSQZGHLQQ-GOSISDBHSA-N	0	0	551.337	3.449	50	0		KGAARN
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)Nc2ccccc2C(=O)OC)cc(I)c1O	ZINC000059603536	554409932	/nfs/dbraw/zinc/40/99/32/554409932.db2.gz	VFOCHXSQZGHLQQ-SFHVURJKSA-N	0	0	551.337	3.449	50	0		KGAARN
CCOC(=O)c1cccc(NC(=O)CSc2nnc(CNC(=O)c3ccccc3Br)n2C)c1	ZINC000059612375	554412362	/nfs/dbraw/zinc/41/23/62/554412362.db2.gz	FQXQJIJHYUBLSF-UHFFFAOYSA-N	0	0	532.420	3.415	50	0		KGAARN
CC(C)NS(=O)(=O)c1ccc(NC(=O)CCCCC(=O)Nc2ccc(S(=O)(=O)NC(C)C)cc2)cc1	ZINC000059612414	554412729	/nfs/dbraw/zinc/41/27/29/554412729.db2.gz	SMEYZYWESGGOTK-UHFFFAOYSA-N	0	0	538.692	3.198	50	0		KGAARN
CCOc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(N(C)S(C)(=O)=O)c2)c2ccc(F)cc2)cc1	ZINC000059612429	554412686	/nfs/dbraw/zinc/41/26/86/554412686.db2.gz	JYGAHSIWUWQWGP-UHFFFAOYSA-N	0	0	535.619	3.454	50	0		KGAARN
COc1ccc(C)cc1S(=O)(=O)N(CC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1)c1ccccc1	ZINC000059612436	554412693	/nfs/dbraw/zinc/41/26/93/554412693.db2.gz	AHULYCPOKBWXCF-UHFFFAOYSA-N	0	0	537.638	3.272	50	0		KGAARN
CN(c1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1)S(=O)(=O)c1ccc(Cl)cc1	ZINC000059612555	554412718	/nfs/dbraw/zinc/41/27/18/554412718.db2.gz	GTCWGAQOHCUZFN-UHFFFAOYSA-N	0	0	550.058	3.438	50	0		KGAARN
CCOc1ccc(N(CC(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)S(=O)(=O)c2ccc(F)cc2)cc1	ZINC000059616795	554413013	/nfs/dbraw/zinc/41/30/13/554413013.db2.gz	OQRRAHRJLUBLIX-UHFFFAOYSA-N	0	0	555.628	3.493	50	0		KGAARN
Cc1sc2nc(SCC(=O)N3CCN(c4nnnn4-c4ccccc4)CC3)n(-c3ccccc3)c(=O)c2c1C	ZINC000059616831	554413042	/nfs/dbraw/zinc/41/30/42/554413042.db2.gz	CQGBYWRXGWUKLF-UHFFFAOYSA-N	0	0	558.693	3.481	50	0		KGAARN
O=C(COc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1	ZINC000059617177	554413362	/nfs/dbraw/zinc/41/33/62/554413362.db2.gz	DMEGTILTPFGYRD-UHFFFAOYSA-N	0	0	549.649	3.280	50	0		KGAARN
COC(=O)c1ccc(C(=O)OC)c(NC(=O)c2ccc(N(C)S(=O)(=O)c3ccc(OC)c(OC)c3)cc2)c1	ZINC000059617240	554413711	/nfs/dbraw/zinc/41/37/11/554413711.db2.gz	YXBOSWIXMKYJPD-UHFFFAOYSA-N	0	0	542.566	3.354	50	0		KGAARN
Cc1nn(CC(=O)N2CCOCC2)c(C)c1NC(=O)c1cc2nc(-c3ccccc3)cc(C(F)(F)F)n2n1	ZINC000059617243	554413588	/nfs/dbraw/zinc/41/35/88/554413588.db2.gz	FNNREWYHEMVJHR-UHFFFAOYSA-N	0	0	527.507	3.340	50	0		KGAARN
CCc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)S(=O)(=O)c2ccc(C)cc2)cc1	ZINC000059617254	554413706	/nfs/dbraw/zinc/41/37/06/554413706.db2.gz	LEKRDZMYTXSEPX-UHFFFAOYSA-N	0	0	557.694	3.412	50	0		KGAARN
COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)c2ccc(F)cc2)cc1	ZINC000059620386	554413621	/nfs/dbraw/zinc/41/36/21/554413621.db2.gz	ZLKAYFIOYMRIJR-UHFFFAOYSA-N	0	0	547.630	3.453	50	0		KGAARN
CCOc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)S(=O)(=O)c2ccc(F)cc2)cc1	ZINC000059620582	554413986	/nfs/dbraw/zinc/41/39/86/554413986.db2.gz	IWIPIKAGXZHRAH-UHFFFAOYSA-N	0	0	577.656	3.079	50	0		KGAARN
CCOc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)c2ccc(F)cc2)cc1	ZINC000059620636	554414197	/nfs/dbraw/zinc/41/41/97/554414197.db2.gz	PCAIGCAXGYRJTK-UHFFFAOYSA-N	0	0	577.656	3.079	50	0		KGAARN
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(Cc2ccco2)c1=NC(=O)c1cccc(OC)c1OC	ZINC000059620721	1059546704	/nfs/dbraw/zinc/54/67/04/1059546704.db2.gz	PCULVDKDXGUAMQ-UHFFFAOYSA-N	0	0	528.521	3.226	50	0		KGAARN
COc1ccccc1-c1cc(C(F)(F)F)n2ncc(C(=O)Nc3c(C)nn(CC(=O)N4CCOCC4)c3C)c2n1	ZINC000059620797	554414290	/nfs/dbraw/zinc/41/42/90/554414290.db2.gz	NWXPRDQOWLSTBI-UHFFFAOYSA-N	0	0	557.533	3.348	50	0		KGAARN
COC(=O)c1ccccc1NC(=O)CSc1nnc(CCNC(=O)c2ccc(Br)cc2)n1C	ZINC000059620875	554414495	/nfs/dbraw/zinc/41/44/95/554414495.db2.gz	QFNIDEKEADPHHV-UHFFFAOYSA-N	0	0	532.420	3.068	50	0		KGAARN
CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc(OCc2ccccc2)cc1	ZINC000059626453	554414939	/nfs/dbraw/zinc/41/49/39/554414939.db2.gz	VERZURYWJXHMJL-UHFFFAOYSA-N	0	0	543.667	3.455	50	0		KGAARN
COc1ccc(S(=O)(=O)N(CC(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)c2ccc(F)cc2)cc1	ZINC000059627099	554415488	/nfs/dbraw/zinc/41/54/88/554415488.db2.gz	ZBXDVQPONLPUAX-UHFFFAOYSA-N	0	0	541.601	3.103	50	0		KGAARN
COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3cccc(N(C)S(C)(=O)=O)c3)cc2)cc1OC	ZINC000059627396	554415876	/nfs/dbraw/zinc/41/58/76/554415876.db2.gz	JGAIIDQPIJDIDI-UHFFFAOYSA-N	0	0	533.628	3.177	50	0		KGAARN
CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1cc(Cl)c(Cl)cc1Cl	ZINC000059630568	554416059	/nfs/dbraw/zinc/41/60/59/554416059.db2.gz	QCBNTMSGIUMZBT-UHFFFAOYSA-N	0	0	556.877	3.072	50	0		KGAARN
CCOc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2C(=O)NCCOC)c2ccc(F)cc2)cc1	ZINC000059630792	554416403	/nfs/dbraw/zinc/41/64/03/554416403.db2.gz	KPAAYJXCZAGQDH-UHFFFAOYSA-N	0	0	529.590	3.435	50	0		KGAARN
COC(=O)c1ccc(C(=O)OC)c(NC(=O)CN(c2ccc(OCc3ccccc3)cc2)S(C)(=O)=O)c1	ZINC000059630842	554416390	/nfs/dbraw/zinc/41/63/90/554416390.db2.gz	VSWNQAIAOFNEEM-UHFFFAOYSA-N	0	0	526.567	3.244	50	0		KGAARN
COC(=O)C1=C(C)NC(=O)N[C@H]1c1cc(I)c(OCC(=O)Nc2ccccc2)c(OC)c1	ZINC000059630878	554416388	/nfs/dbraw/zinc/41/63/88/554416388.db2.gz	OSEVAROPUDSQPG-IBGZPJMESA-N	0	0	551.337	3.118	50	0		KGAARN
COC(=O)C1=C(C)NC(=O)N[C@@H]1c1cc(I)c(OCC(=O)Nc2ccccc2)c(OC)c1	ZINC000059630881	554416381	/nfs/dbraw/zinc/41/63/81/554416381.db2.gz	OSEVAROPUDSQPG-LJQANCHMSA-N	0	0	551.337	3.118	50	0		KGAARN
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)cc(I)c1OCC(=O)NCc1ccccc1	ZINC000059630888	554416393	/nfs/dbraw/zinc/41/63/93/554416393.db2.gz	OOXZHRQCCDEWNV-OAQYLSRUSA-N	0	0	579.391	3.186	50	0		KGAARN
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)cc(I)c1OCC(=O)NCc1ccccc1	ZINC000059630891	554416301	/nfs/dbraw/zinc/41/63/01/554416301.db2.gz	OOXZHRQCCDEWNV-NRFANRHFSA-N	0	0	579.391	3.186	50	0		KGAARN
COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)c2ccc(Cl)cc2)cc1	ZINC000059647467	554418023	/nfs/dbraw/zinc/41/80/23/554418023.db2.gz	ZRLXBWUQAIYWMN-UHFFFAOYSA-N	0	0	580.084	3.204	50	0		KGAARN
CS(=O)(=O)N(CC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1)c1cc(C(F)(F)F)ccc1Cl	ZINC000059647474	554417917	/nfs/dbraw/zinc/41/79/17/554417917.db2.gz	GCPAKHHOZSIEHU-UHFFFAOYSA-N	0	0	533.956	3.198	50	0		KGAARN
O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2)N1CCN(c2ccc(F)cc2)CC1	ZINC000059651169	554417884	/nfs/dbraw/zinc/41/78/84/554417884.db2.gz	DFYHWLUXKHQIKK-UHFFFAOYSA-N	0	0	529.565	3.280	50	0		KGAARN
O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2)N1CCN(c2ccccc2F)CC1	ZINC000059651179	554418019	/nfs/dbraw/zinc/41/80/19/554418019.db2.gz	BAILMPMFOYRFTF-UHFFFAOYSA-N	0	0	529.565	3.280	50	0		KGAARN
Cc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)S(=O)(=O)c2ccc(C)cc2)cc1	ZINC000059651262	554418301	/nfs/dbraw/zinc/41/83/01/554418301.db2.gz	MIHFYUJFWWUQNJ-UHFFFAOYSA-N	0	0	543.667	3.158	50	0		KGAARN
COc1ccc(N(CC(=O)Nc2cccc(N(C)S(C)(=O)=O)c2)S(=O)(=O)c2ccc(C)cc2)cc1OC	ZINC000059651519	554418561	/nfs/dbraw/zinc/41/85/61/554418561.db2.gz	WORTVLKXTTXAMV-UHFFFAOYSA-N	0	0	547.655	3.242	50	0		KGAARN
COc1ccc(C)cc1N(CC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)S(=O)(=O)c1ccc(C)cc1	ZINC000059651588	554418779	/nfs/dbraw/zinc/41/87/79/554418779.db2.gz	VLAALLOGNGMFDR-UHFFFAOYSA-N	0	0	573.693	3.167	50	0		KGAARN
CCc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)S(=O)(=O)c2ccccc2)cc1	ZINC000059651722	554418785	/nfs/dbraw/zinc/41/87/85/554418785.db2.gz	GXPCNGGZEULTPQ-UHFFFAOYSA-N	0	0	543.667	3.104	50	0		KGAARN
CCOc1ccc(N(CC(=O)Nc2cccc(N(C)S(C)(=O)=O)c2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1	ZINC000059651758	554419012	/nfs/dbraw/zinc/41/90/12/554419012.db2.gz	RNGPZMBUHOPSPU-UHFFFAOYSA-N	0	0	577.681	3.332	50	0		KGAARN
O=C(CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1	ZINC000059651812	554419070	/nfs/dbraw/zinc/41/90/70/554419070.db2.gz	VSGAZYWTRSVULT-UHFFFAOYSA-N	0	0	550.058	3.195	50	0		KGAARN
O=C(CN1C(=O)c2ccccc2S1(=O)=O)Nc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1	ZINC000059652366	554419842	/nfs/dbraw/zinc/41/98/42/554419842.db2.gz	VERVEGOWZOQKEE-UHFFFAOYSA-N	0	0	539.513	3.289	50	0		KGAARN
O=C(CN1C(=O)c2ccccc2S1(=O)=O)Nc1ccc(S(=O)(=O)Nc2cccc3ccccc32)cc1	ZINC000059652374	554419816	/nfs/dbraw/zinc/41/98/16/554419816.db2.gz	DCEHINCHQVEJLF-UHFFFAOYSA-N	0	0	521.576	3.424	50	0		KGAARN
COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2C(=O)N2CCOCC2)c2ccccc2OC)cc1	ZINC000059652595	554420048	/nfs/dbraw/zinc/42/00/48/554420048.db2.gz	APXBJFXQPHCNLX-UHFFFAOYSA-N	0	0	539.610	3.010	50	0		KGAARN
Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)CN3C(=O)c4ccccc4S3(=O)=O)cc2)cc1Cl	ZINC000059652672	554420086	/nfs/dbraw/zinc/42/00/86/554420086.db2.gz	ZQWBJKTYIUQQNA-UHFFFAOYSA-N	0	0	519.988	3.232	50	0		KGAARN
CCOc1ccc(N(CC(=O)Nc2ccccc2C(=O)N2CCOCC2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1	ZINC000059652774	554420122	/nfs/dbraw/zinc/42/01/22/554420122.db2.gz	ALOAVUVAPWQGNI-UHFFFAOYSA-N	0	0	583.663	3.409	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)c(I)c3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2	ZINC000059706168	554425775	/nfs/dbraw/zinc/42/57/75/554425775.db2.gz	KJXNUXFPWALMME-HSELDNCXSA-N	0	0	604.422	3.140	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)c(I)c3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2	ZINC000059706169	554425654	/nfs/dbraw/zinc/42/56/54/554425654.db2.gz	KJXNUXFPWALMME-OFHGOEMBSA-N	0	0	604.422	3.140	50	0		KGAARN
Cc1ccc(S(=O)(=O)N2CN3CN(S(=O)(=O)c4ccc(C)cc4)CC(C(=O)c4ccccc4)(C3)C2)cc1	ZINC000059727659	554426808	/nfs/dbraw/zinc/42/68/08/554426808.db2.gz	NPAYFXWECQQZDJ-UHFFFAOYSA-N	0	0	539.679	3.099	50	0		KGAARN
C[C@@H]1CN(CCS(=O)(=O)c2ccc(Oc3ccc(S(=O)(=O)CCN4C[C@@H](C)O[C@@H](C)C4)cc3)cc2)C[C@H](C)O1	ZINC000059731909	554426826	/nfs/dbraw/zinc/42/68/26/554426826.db2.gz	ZGEYPEATOQVAIM-WAPCQROESA-N	0	0	580.769	3.245	50	0		KGAARN
C[C@@H]1CN(CCS(=O)(=O)c2ccc(Oc3ccc(S(=O)(=O)CCN4C[C@H](C)O[C@@H](C)C4)cc3)cc2)C[C@H](C)O1	ZINC000059731916	554427048	/nfs/dbraw/zinc/42/70/48/554427048.db2.gz	ZGEYPEATOQVAIM-NEWJYFPISA-N	0	0	580.769	3.245	50	0		KGAARN
C[C@@H]1CN(CCS(=O)(=O)c2ccc(Oc3ccc(S(=O)(=O)CCN4C[C@@H](C)O[C@@H](C)C4)cc3)cc2)C[C@@H](C)O1	ZINC000059731919	554427022	/nfs/dbraw/zinc/42/70/22/554427022.db2.gz	ZGEYPEATOQVAIM-YCAMKHIRSA-N	0	0	580.769	3.245	50	0		KGAARN
CCOC(=O)c1ccc(N2C(=O)[C@H](CC(=O)Nc3ccc(Br)cc3)N(CC(=O)OC)C2=S)cc1	ZINC000059738378	554427703	/nfs/dbraw/zinc/42/77/03/554427703.db2.gz	PBAPYVPJADQKTI-SFHVURJKSA-N	0	0	548.415	3.130	50	0		KGAARN
CCOC(=O)c1ccc(N2C(=O)[C@@H](CC(=O)Nc3ccc(Br)cc3)N(CC(=O)OC)C2=S)cc1	ZINC000059738380	554427657	/nfs/dbraw/zinc/42/76/57/554427657.db2.gz	PBAPYVPJADQKTI-GOSISDBHSA-N	0	0	548.415	3.130	50	0		KGAARN
CCOc1ccc(OCC)c(S(=O)(=O)N2CCCN(S(=O)(=O)c3cc(OCC)ccc3OCC)CC2)c1	ZINC000059738534	554427885	/nfs/dbraw/zinc/42/78/85/554427885.db2.gz	LZONVYYZRYFOCC-UHFFFAOYSA-N	0	0	556.703	3.367	50	0		KGAARN
O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2)Nc1ccc(S(=O)(=O)N2CCCC2)cc1	ZINC000059749809	554428232	/nfs/dbraw/zinc/42/82/32/554428232.db2.gz	IZXNTODROVHPGU-UHFFFAOYSA-N	0	0	575.640	3.215	50	0		KGAARN
CC(=O)Nc1ccc(S(=O)(=O)N2CCN(C[C@H](O)COc3ccc4cc(Br)ccc4c3)CC2)cc1	ZINC000059758385	554428498	/nfs/dbraw/zinc/42/84/98/554428498.db2.gz	OBNJFBQBCNQGKO-QHCPKHFHSA-N	0	0	562.486	3.307	50	0		KGAARN
CC(=O)Nc1ccc(S(=O)(=O)N2CCN(C[C@@H](O)COc3ccc4cc(Br)ccc4c3)CC2)cc1	ZINC000059758386	554428555	/nfs/dbraw/zinc/42/85/55/554428555.db2.gz	OBNJFBQBCNQGKO-HSZRJFAPSA-N	0	0	562.486	3.307	50	0		KGAARN
COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)S(=O)(=O)c2ccccc2)cc1OC	ZINC000059768647	554428567	/nfs/dbraw/zinc/42/85/67/554428567.db2.gz	ORTXVEUFIZRLMW-UHFFFAOYSA-N	0	0	559.666	3.322	50	0		KGAARN
COC(=O)c1ccc(C(=O)OC)c(NC(=O)CN(c2ccc(OC)c(OC)c2)S(=O)(=O)c2ccccc2)c1	ZINC000059768733	554428542	/nfs/dbraw/zinc/42/85/42/554428542.db2.gz	VGZKUIZWHPTZST-UHFFFAOYSA-N	0	0	542.566	3.111	50	0		KGAARN
CS(=O)(=O)N1CCN(c2ccc(NC(=O)c3cc(I)ccc3Cl)cc2)CC1	ZINC000059772058	554428687	/nfs/dbraw/zinc/42/86/87/554428687.db2.gz	ZEOBWVSHCLFEKQ-UHFFFAOYSA-N	0	0	519.792	3.279	50	0		KGAARN
COc1ccc(CCNC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1OC	ZINC000059772079	554428667	/nfs/dbraw/zinc/42/86/67/554428667.db2.gz	OJYOLVUNNDWLJS-UHFFFAOYSA-N	0	0	532.590	3.414	50	0		KGAARN
COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)S(=O)(=O)c2ccc(F)cc2)cc1	ZINC000059775161	554429118	/nfs/dbraw/zinc/42/91/18/554429118.db2.gz	JGXMZWKVURGFGZ-UHFFFAOYSA-N	0	0	547.630	3.453	50	0		KGAARN
CCN(CC)C(=O)c1sc(NC(=S)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)c(C(=O)OC)c1C	ZINC000059775899	554429139	/nfs/dbraw/zinc/42/91/39/554429139.db2.gz	COAYGHZVEUVBTL-UHFFFAOYSA-N	0	0	554.716	3.155	50	0		KGAARN
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)Nc2ccc(C)c(C)c2)cc(I)c1OCC(N)=O	ZINC000059776005	554429109	/nfs/dbraw/zinc/42/91/09/554429109.db2.gz	YUWZPMOLKQBHQT-OAQYLSRUSA-N	0	0	578.407	3.437	50	0		KGAARN
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)Nc2ccc(C)c(C)c2)cc(I)c1OCC(N)=O	ZINC000059776011	554429106	/nfs/dbraw/zinc/42/91/06/554429106.db2.gz	YUWZPMOLKQBHQT-NRFANRHFSA-N	0	0	578.407	3.437	50	0		KGAARN
COc1ccc(CCNC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc3c(c2)OCCO3)cc1OC	ZINC000059776020	554429283	/nfs/dbraw/zinc/42/92/83/554429283.db2.gz	INXZDEGUKCVXRE-UHFFFAOYSA-N	0	0	540.638	3.067	50	0		KGAARN
CSc1ccccc1NC(=O)[C@@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1	ZINC000059778330	554429342	/nfs/dbraw/zinc/42/93/42/554429342.db2.gz	LUHOADAFQBRQHO-QFIPXVFZSA-N	0	0	531.681	3.111	50	0		KGAARN
CSc1ccccc1NC(=O)[C@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1	ZINC000059778340	554429345	/nfs/dbraw/zinc/42/93/45/554429345.db2.gz	LUHOADAFQBRQHO-JOCHJYFZSA-N	0	0	531.681	3.111	50	0		KGAARN
CCOC(=O)c1sc(NC(=S)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)c(C(=O)OCC)c1C	ZINC000059778343	554429307	/nfs/dbraw/zinc/42/93/07/554429307.db2.gz	RBRTXGYYPKVAFO-UHFFFAOYSA-N	0	0	541.673	3.240	50	0		KGAARN
CCOC(=O)COc1c(I)cc(C2C(C(=O)OC)=C(C)NC(C)=C2C(=O)OC)cc1OCC	ZINC000059778573	554429329	/nfs/dbraw/zinc/42/93/29/554429329.db2.gz	RBBFMQGYTMTIEO-UHFFFAOYSA-N	0	0	573.380	3.213	50	0		KGAARN
C[C@H](Sc1nc2ccc(I)cc2c(=O)n1-c1ccccc1)C(=O)N1CCOCC1	ZINC000059780250	554429639	/nfs/dbraw/zinc/42/96/39/554429639.db2.gz	TUYUTAQPNLLDFO-AWEZNQCLSA-N	0	0	521.380	3.330	50	0		KGAARN
C[C@@H](Sc1nc2ccc(I)cc2c(=O)n1-c1ccccc1)C(=O)N1CCOCC1	ZINC000059780252	554429732	/nfs/dbraw/zinc/42/97/32/554429732.db2.gz	TUYUTAQPNLLDFO-CQSZACIVSA-N	0	0	521.380	3.330	50	0		KGAARN
COC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)ccc3OC(C)=O)c(=O)n2[C@H]1c1ccc(OC(C)=O)cc1	ZINC000059821351	554431266	/nfs/dbraw/zinc/43/12/66/554431266.db2.gz	FKLGSTKJUCSIED-NWKGEQBZSA-N	0	0	585.432	3.021	50	0		KGAARN
COC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)ccc3OC(C)=O)c(=O)n2[C@@H]1c1ccc(OC(C)=O)cc1	ZINC000059821353	554431310	/nfs/dbraw/zinc/43/13/10/554431310.db2.gz	FKLGSTKJUCSIED-YOKWNPFVSA-N	0	0	585.432	3.021	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(I)o3)c(=O)n2[C@@H]1c1ccccc1OC	ZINC000059821723	554431429	/nfs/dbraw/zinc/43/14/29/554431429.db2.gz	HQKULZITZJRQAO-KZIRBZLESA-N	0	0	550.374	3.005	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(I)o3)c(=O)n2[C@H]1c1ccccc1OC	ZINC000059821724	554431450	/nfs/dbraw/zinc/43/14/50/554431450.db2.gz	HQKULZITZJRQAO-SKTWIKFTSA-N	0	0	550.374	3.005	50	0		KGAARN
O=C(Nc1ccc(Br)cc1)[C@@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1	ZINC000059824085	554431812	/nfs/dbraw/zinc/43/18/12/554431812.db2.gz	KEOJEAWYTCQSGG-QFIPXVFZSA-N	0	0	564.483	3.152	50	0		KGAARN
O=C(Nc1ccccc1Br)[C@@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1	ZINC000059824091	554431793	/nfs/dbraw/zinc/43/17/93/554431793.db2.gz	COIIJQVBABILJT-QFIPXVFZSA-N	0	0	564.483	3.152	50	0		KGAARN
CCOC(=O)C(CCC(OC(=O)c1ccccc1)(C(=O)OCC)C(=O)OCC)(OC(=O)c1ccccc1)C(=O)OCC	ZINC000059826963	1059558413	/nfs/dbraw/zinc/55/84/13/1059558413.db2.gz	QNATYEOGKAQAEE-UHFFFAOYSA-N	0	0	586.590	3.211	50	0		KGAARN
O=C1c2cccc3cccc(c32)C(=O)N1CCN1CCN(S(=O)(=O)c2ccc(I)cc2)CC1	ZINC000059829402	554432405	/nfs/dbraw/zinc/43/24/05/554432405.db2.gz	NRZUNAVWMONURI-UHFFFAOYSA-N	0	0	575.428	3.047	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)cc(OC)c3O)c(=O)n2[C@@H]1c1cccs1	ZINC000059832225	554432678	/nfs/dbraw/zinc/43/26/78/554432678.db2.gz	YXLSGUOIYJINBE-QJKHOBJASA-N	0	0	535.441	3.337	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)cc(OC)c3O)c(=O)n2[C@H]1c1cccs1	ZINC000059832227	554432729	/nfs/dbraw/zinc/43/27/29/554432729.db2.gz	YXLSGUOIYJINBE-WBNHJWIASA-N	0	0	535.441	3.337	50	0		KGAARN
O=C(CCc1ccc(S(=O)(=O)NCCc2ccccc2)cc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1	ZINC000059837531	554443364	/nfs/dbraw/zinc/44/33/64/554443364.db2.gz	YFVDYOVBQMKQBK-UHFFFAOYSA-N	0	0	535.666	3.213	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC)c(OC(C)=O)c3)c(=O)n2[C@@H]1c1ccccc1Cl	ZINC000059844508	554448032	/nfs/dbraw/zinc/44/80/32/554448032.db2.gz	MWUAUVGVBBFHFC-FJWZAKCXSA-N	0	0	526.998	3.386	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC)c(OC(C)=O)c3)c(=O)n2[C@H]1c1ccccc1Cl	ZINC000059844511	554448096	/nfs/dbraw/zinc/44/80/96/554448096.db2.gz	MWUAUVGVBBFHFC-RQLGBQGVSA-N	0	0	526.998	3.386	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC(C)=O)cc3OC(C)=O)c(=O)n2[C@@H]1c1ccccc1Cl	ZINC000059844752	554448362	/nfs/dbraw/zinc/44/83/62/554448362.db2.gz	BMIUADKJSQJMQB-SEXPAEGTSA-N	0	0	555.008	3.302	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC(C)=O)cc3OC(C)=O)c(=O)n2[C@H]1c1ccccc1Cl	ZINC000059844755	554448322	/nfs/dbraw/zinc/44/83/22/554448322.db2.gz	BMIUADKJSQJMQB-XOBACGFXSA-N	0	0	555.008	3.302	50	0		KGAARN
Cc1cccc(N(CC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)S(=O)(=O)c2ccccc2)c1C	ZINC000059845018	554448557	/nfs/dbraw/zinc/44/85/57/554448557.db2.gz	APODDUMCWRDHER-UHFFFAOYSA-N	0	0	543.667	3.158	50	0		KGAARN
COc1ccc(C(=O)Nn2c(=O)c3ccccc3nc2SCC(=O)N2CCN(c3ccccc3)CC2)cc1	ZINC000059845041	554448597	/nfs/dbraw/zinc/44/85/97/554448597.db2.gz	VLCYZRXUDIKGBO-UHFFFAOYSA-N	0	0	529.622	3.230	50	0		KGAARN
O=C(Nc1cccc(Br)c1)[C@@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1	ZINC000059873704	554456610	/nfs/dbraw/zinc/45/66/10/554456610.db2.gz	LEBTWHOGYIGLQS-QFIPXVFZSA-N	0	0	564.483	3.152	50	0		KGAARN
O=C1c2cccc3cccc(c32)C(=O)N1CCN1CCN(C(=S)Nc2cccc(S(=O)(=O)C(F)F)c2)CC1	ZINC000059873981	554456557	/nfs/dbraw/zinc/45/65/57/554456557.db2.gz	XZWUKTXEYAMDJH-UHFFFAOYSA-N	0	0	558.632	3.447	50	0		KGAARN
COc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)NCCN4CCOCC4)c(Br)c3n2)cc1	ZINC000059895705	554472345	/nfs/dbraw/zinc/47/23/45/554472345.db2.gz	RWDMBZBYYRFCQL-UHFFFAOYSA-N	0	0	528.329	3.248	50	0		KGAARN
CC(C)[C@H](NC(=O)c1cnccc1C(=O)Nc1ccc2c(c1)OCCO2)C(=O)Nc1ccc2c(c1)OCCO2	ZINC000060045041	554497756	/nfs/dbraw/zinc/49/77/56/554497756.db2.gz	WGKKFXXBFWUBRH-VWLOTQADSA-N	0	0	532.553	3.269	50	0		KGAARN
COc1ccc(C(=O)Nc2ccccc2-c2nnnn2C(=O)c2ccc(OC)c(OC)c2OC)c(OC)c1OC	ZINC000060095596	554502197	/nfs/dbraw/zinc/50/21/97/554502197.db2.gz	SEZATQNRULUDIF-UHFFFAOYSA-N	0	0	549.540	3.333	50	0		KGAARN
CC(=O)Nc1ccc(NC(=O)CSc2nc(-c3ccccc3Cl)nc3c2c(=O)n(C)c(=O)n3C)cc1	ZINC000060133498	554502210	/nfs/dbraw/zinc/50/22/10/554502210.db2.gz	XBSLGJGWYADRRA-UHFFFAOYSA-N	0	0	524.990	3.037	50	0		KGAARN
COc1ccc(N2C[C@H](C(=O)Nc3nnc(SCC(=O)Nc4ccc(NC(C)=O)cc4)s3)CC2=O)cc1	ZINC000060133629	554502194	/nfs/dbraw/zinc/50/21/94/554502194.db2.gz	UZTMSJHAWUSFJZ-OAHLLOKOSA-N	0	0	540.627	3.228	50	0		KGAARN
COc1ccc(N2C[C@@H](C(=O)Nc3nnc(SCC(=O)Nc4ccc(NC(C)=O)cc4)s3)CC2=O)cc1	ZINC000060133632	554502257	/nfs/dbraw/zinc/50/22/57/554502257.db2.gz	UZTMSJHAWUSFJZ-HNNXBMFYSA-N	0	0	540.627	3.228	50	0		KGAARN
CCOc1cccc2s/c(=N\C(=O)c3ccc(S(=O)(=O)N4C[C@@H](C)O[C@@H](C)C4)cc3)n(CCOC)c21	ZINC000060135529	554502333	/nfs/dbraw/zinc/50/23/33/554502333.db2.gz	BSLRJZYKYMAXSH-BVKCHYSWSA-N	0	0	533.672	3.287	50	0		KGAARN
CCOc1cccc2s/c(=N\C(=O)c3ccc(S(=O)(=O)N4C[C@@H](C)O[C@H](C)C4)cc3)n(CCOC)c21	ZINC000060135533	554502293	/nfs/dbraw/zinc/50/22/93/554502293.db2.gz	BSLRJZYKYMAXSH-SDORMZKBSA-N	0	0	533.672	3.287	50	0		KGAARN
CCOc1cccc2s/c(=N\C(=O)c3ccc(S(=O)(=O)N4C[C@H](C)O[C@@H](C)C4)cc3)n(CCOC)c21	ZINC000060135534	554502270	/nfs/dbraw/zinc/50/22/70/554502270.db2.gz	BSLRJZYKYMAXSH-GUBHCJHISA-N	0	0	533.672	3.287	50	0		KGAARN
CCCCCC[C@@H]1C(=O)O[C@H](C)[C@H](NC(=O)c2cccc(NC=O)c2O)C(=O)O[C@@H](C)[C@@H]1OC(=O)CC(C)C	ZINC000060184706	554502770	/nfs/dbraw/zinc/50/27/70/554502770.db2.gz	UIFFUZWRFRDZJC-RNRURVQLSA-N	0	0	548.633	3.480	50	0	in-vivo	KGAARN
COc1ccc(S(=O)(=O)NCCc2nnc3ccc(SCC(=O)Nc4ccc(Br)cc4)nn32)cc1	ZINC000060209120	554502799	/nfs/dbraw/zinc/50/27/99/554502799.db2.gz	MCICAMMCKMAMBN-UHFFFAOYSA-N	0	0	577.486	3.147	50	0		KGAARN
COc1ccc(S(=O)(=O)NCCc2nnc3ccc(SCC(=O)Nc4cc(Cl)ccc4OC)nn32)cc1	ZINC000060209122	554502805	/nfs/dbraw/zinc/50/28/05/554502805.db2.gz	XUSVASBYWFJBDY-UHFFFAOYSA-N	0	0	563.061	3.047	50	0		KGAARN
COc1ccc(S(=O)(=O)NCCc2nnc3ccc(SCC(=O)Nc4cccc(C(F)(F)F)c4)nn32)cc1	ZINC000060209124	554503070	/nfs/dbraw/zinc/50/30/70/554503070.db2.gz	UNHZTDUEISDTIN-UHFFFAOYSA-N	0	0	566.587	3.404	50	0		KGAARN
CS(=O)(=O)c1cccc(-c2nnc(NC(=O)c3ccc(S(=O)(=O)N4CCc5ccccc5C4)cc3)o2)c1	ZINC000060263572	554504415	/nfs/dbraw/zinc/50/44/15/554504415.db2.gz	CRDMTKARFIOOQT-UHFFFAOYSA-N	0	0	538.607	3.139	50	0		KGAARN
COc1cc(C(=O)N=c2c(C#N)cc3c(nc4ccccn4c3=O)n2Cc2ccccc2)cc(OC)c1OC	ZINC000060298371	1059546859	/nfs/dbraw/zinc/54/68/59/1059546859.db2.gz	CLZQXIVYPGOLJK-UHFFFAOYSA-N	0	0	521.533	3.336	50	0		KGAARN
CCOC(=O)c1sc2ncn(CC(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)c(=O)c2c1C	ZINC000062564005	554506898	/nfs/dbraw/zinc/50/68/98/554506898.db2.gz	VMCZQTAGSRLCKE-UHFFFAOYSA-N	0	0	508.522	3.311	50	0		KGAARN
CCOC(=O)Cc1csc(SCC(=O)Nc2ccc(OCC)c(S(=O)(=O)N(CC)CC)c2)n1	ZINC000062564028	554506874	/nfs/dbraw/zinc/50/68/74/554506874.db2.gz	PWJKNMIBHVPGDX-UHFFFAOYSA-N	0	0	515.679	3.409	50	0		KGAARN
CCOC(=O)/C=C/c1ccc(NC(=O)CSc2nnc3ccc(S(=O)(=O)N(CC)CC)cn32)cc1	ZINC000062564048	554506855	/nfs/dbraw/zinc/50/68/55/554506855.db2.gz	JHHJQAOCPBLNSU-NTEUORMPSA-N	0	0	517.633	3.067	50	0		KGAARN
C[C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1	ZINC000062669677	554507695	/nfs/dbraw/zinc/50/76/95/554507695.db2.gz	YOKRIUOJULPYTC-AWEZNQCLSA-N	0	0	500.404	3.098	50	0		KGAARN
C[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1	ZINC000062669678	554507723	/nfs/dbraw/zinc/50/77/23/554507723.db2.gz	YOKRIUOJULPYTC-CQSZACIVSA-N	0	0	500.404	3.098	50	0		KGAARN
COc1cc(C(=O)N=c2c(C#N)cc3c(nc4c(C)cccn4c3=O)n2CC(C)C)cc(OC)c1OC	ZINC000062700643	1059550455	/nfs/dbraw/zinc/55/04/55/1059550455.db2.gz	NLWUWRBVKUTJEF-UHFFFAOYSA-N	0	0	501.543	3.252	50	0		KGAARN
COc1ccc(C(=O)N=c2c(C#N)cc3c(nc4c(C)cccn4c3=O)n2CCCOC(C)C)cc1OC	ZINC000062700648	1059550356	/nfs/dbraw/zinc/55/03/56/1059550356.db2.gz	MTEKEKMAJAZPBS-UHFFFAOYSA-N	0	0	515.570	3.403	50	0		KGAARN
COc1ccc(-c2nc(C[S@@](=O)CC(=O)NCCN3CCN(c4cccc(Cl)c4)CC3)c(C)o2)cc1	ZINC000063481305	554509184	/nfs/dbraw/zinc/50/91/84/554509184.db2.gz	UWWAOQLZPBLDAY-BHVANESWSA-N	0	0	531.078	3.499	50	0		KGAARN
COc1ccc(-c2nc(C[S@](=O)CC(=O)NCCN3CCN(c4cccc(Cl)c4)CC3)c(C)o2)cc1	ZINC000063481308	554509412	/nfs/dbraw/zinc/50/94/12/554509412.db2.gz	UWWAOQLZPBLDAY-PSXMRANNSA-N	0	0	531.078	3.499	50	0		KGAARN
CCN(Cc1ccccc1)C(=O)CCc1nc(CN2CCN(C(=O)c3ccc(OC)c(OC)c3)CC2)no1	ZINC000063570046	554509868	/nfs/dbraw/zinc/50/98/68/554509868.db2.gz	BKFMOHDQUDCAHO-UHFFFAOYSA-N	0	0	521.618	3.026	50	0		KGAARN
CCN(Cc1ccccc1)C(=O)CCc1nc(CN2CCN(C(=O)c3ccc(OC)cc3OC)CC2)no1	ZINC000063570047	554510181	/nfs/dbraw/zinc/51/01/81/554510181.db2.gz	YHXIBVZLTIOFBF-UHFFFAOYSA-N	0	0	521.618	3.026	50	0		KGAARN
O=CN1CCN(CC(=O)Nc2ccc(Br)cc2C(=O)c2ccccc2Br)CC1	ZINC000063704180	554510138	/nfs/dbraw/zinc/51/01/38/554510138.db2.gz	FGYAMZSWYVYHOE-UHFFFAOYSA-N	0	0	509.198	3.155	50	0		KGAARN
CC(=O)Nc1cc(C(=O)NCCN2CCN(c3ccccc3)CC2)ccc1S(=O)(=O)c1ccc(C)cc1	ZINC000063721473	554510434	/nfs/dbraw/zinc/51/04/34/554510434.db2.gz	OEBUXRDOWLCLGL-UHFFFAOYSA-N	0	0	520.655	3.338	50	0		KGAARN
CN(CC(=O)N1CCN(c2ncccn2)CC1)c1nn2c(nc(-c3ccccc3)c2NC(C)(C)C)s1	ZINC000064438865	554511081	/nfs/dbraw/zinc/51/10/81/554511081.db2.gz	VLKBDCNNWANTIJ-UHFFFAOYSA-N	0	0	505.652	3.243	50	0		KGAARN
COc1cc2[nH]c(=O)n(Cc3ccc(C(=O)N[C@@H](C)c4ccc5c(c4)OCCO5)cc3)c(=O)c2cc1OC	ZINC000064449198	554511034	/nfs/dbraw/zinc/51/10/34/554511034.db2.gz	UAYKPCOCUDJCDU-INIZCTEOSA-N	0	0	517.538	3.018	50	0		KGAARN
COc1cc2[nH]c(=O)n(Cc3ccc(C(=O)N[C@H](C)c4ccc5c(c4)OCCO5)cc3)c(=O)c2cc1OC	ZINC000064449199	554511050	/nfs/dbraw/zinc/51/10/50/554511050.db2.gz	UAYKPCOCUDJCDU-MRXNPFEDSA-N	0	0	517.538	3.018	50	0		KGAARN
COc1cc2c(cc1OC)n(Cc1ccc(C)cc1)c(=O)n(Cc1ccc(C(=O)N3CCOCC3)cc1)c2=O	ZINC000064449322	554511009	/nfs/dbraw/zinc/51/10/09/554511009.db2.gz	VVKJUPBZTMSPJW-UHFFFAOYSA-N	0	0	529.593	3.058	50	0		KGAARN
COc1cc2c(cc1OC)n(Cc1cccc(C)c1)c(=O)n(Cc1ccc(C(=O)N3CCOCC3)cc1)c2=O	ZINC000064449324	554511024	/nfs/dbraw/zinc/51/10/24/554511024.db2.gz	JSQOQIRCZLHKSV-UHFFFAOYSA-N	0	0	529.593	3.058	50	0		KGAARN
Cc1nc(S(=O)(=O)N2CCc3c(c(CN(C(=O)c4ccc(F)cc4)c4ccccc4)nn3C)C2)cn1C	ZINC000064566784	554512048	/nfs/dbraw/zinc/51/20/48/554512048.db2.gz	SVDYAQVCJOUWKR-UHFFFAOYSA-N	0	0	522.606	3.195	50	0		KGAARN
Cc1nc(S(=O)(=O)N2CCc3c(c(CN(C(=O)c4ccc(C)cc4)c4ccccc4)nn3C)C2)cn1C	ZINC000064566798	554512350	/nfs/dbraw/zinc/51/23/50/554512350.db2.gz	NEXJDHGHHVSFGP-UHFFFAOYSA-N	0	0	518.643	3.364	50	0		KGAARN
Cc1nc(S(=O)(=O)N2CCc3c(c(CN(C(=O)c4ccccc4F)c4ccccc4)nn3C)C2)cn1C	ZINC000064566816	554512369	/nfs/dbraw/zinc/51/23/69/554512369.db2.gz	QIHICGDPCLFSRQ-UHFFFAOYSA-N	0	0	522.606	3.195	50	0		KGAARN
Cc1nc(S(=O)(=O)N2CCc3c(c(CN(C(=O)c4ccccc4)c4ccccc4)nn3C)C2)cn1C	ZINC000064566833	554512603	/nfs/dbraw/zinc/51/26/03/554512603.db2.gz	BWBDXPSBXNLMLK-UHFFFAOYSA-N	0	0	504.616	3.056	50	0		KGAARN
Cc1nn(C)c(C)c1S(=O)(=O)N1CCc2c(c(CN(C(=O)c3ccccc3)c3ccccc3)nn2C)C1	ZINC000064566853	554512674	/nfs/dbraw/zinc/51/26/74/554512674.db2.gz	PRJFRTNXYZJCRE-UHFFFAOYSA-N	0	0	518.643	3.364	50	0		KGAARN
COc1ccc(-c2nc3sc(N(C)CC(=O)NCCCN4CCCC4=O)nn3c2NC(C)(C)C)cc1	ZINC000064703550	554513792	/nfs/dbraw/zinc/51/37/92/554513792.db2.gz	IMAHAOJCQVZJDB-UHFFFAOYSA-N	0	0	513.668	3.242	50	0		KGAARN
COc1ccc(-c2nc3sc(N(C)CC(=O)N4CCC5(CC4)OCCO5)nn3c2NC(C)(C)C)cc1	ZINC000064703568	554513720	/nfs/dbraw/zinc/51/37/20/554513720.db2.gz	WRIOWNFLSNYZRR-UHFFFAOYSA-N	0	0	514.652	3.479	50	0		KGAARN
CN(CC(=O)NCCCN1CCOCC1)c1nn2c(nc(-c3ccc(F)cc3)c2NC(C)(C)C)s1	ZINC000064703869	554514362	/nfs/dbraw/zinc/51/43/62/554514362.db2.gz	DWJUKTXLFLBDOV-UHFFFAOYSA-N	0	0	503.648	3.082	50	0		KGAARN
CN(CC(=O)NCCCN1CCCC1=O)c1nn2c(nc(-c3ccc(F)cc3)c2NC(C)(C)C)s1	ZINC000064703888	554514382	/nfs/dbraw/zinc/51/43/82/554514382.db2.gz	GNMHJFPFLJHUAK-UHFFFAOYSA-N	0	0	501.632	3.372	50	0		KGAARN
Cc1ccc(-c2nc3sc(N(C)CC(=O)NCCN4CCOCC4)nn3c2NC2CCCCC2)cc1	ZINC000064703967	554514278	/nfs/dbraw/zinc/51/42/78/554514278.db2.gz	PLLKFKDHGFQYND-UHFFFAOYSA-N	0	0	511.696	3.395	50	0		KGAARN
CN(CC(=O)NCCCN1CCOCC1)c1nn2c(nc(-c3cccc(F)c3)c2NC(C)(C)C)s1	ZINC000064704221	554514583	/nfs/dbraw/zinc/51/45/83/554514583.db2.gz	KUSBKVSPAIIIJL-UHFFFAOYSA-N	0	0	503.648	3.082	50	0		KGAARN
CN(CC(=O)NCCCN1CCCC1=O)c1nn2c(nc(-c3cccc(F)c3)c2NC(C)(C)C)s1	ZINC000064704234	554514574	/nfs/dbraw/zinc/51/45/74/554514574.db2.gz	QZBZJJKFZFYWCO-UHFFFAOYSA-N	0	0	501.632	3.372	50	0		KGAARN
CCn1nc(C)c2c1c(=O)n(CCc1ccccc1)c(=O)n2CC(=O)Nc1ccc(Br)cc1	ZINC000064775067	554515459	/nfs/dbraw/zinc/51/54/59/554515459.db2.gz	QMUNRKDVGQFTBR-UHFFFAOYSA-N	0	0	510.392	3.332	50	0		KGAARN
CCn1nc(C)c2c1c(=O)n(Cc1ccccc1)c(=O)n2CC(=O)Nc1ccc(Br)c(C)c1	ZINC000064775074	554515482	/nfs/dbraw/zinc/51/54/82/554515482.db2.gz	JBKWYHFONUGNBT-UHFFFAOYSA-N	0	0	510.392	3.446	50	0		KGAARN
CCn1nc(C)c2c1c(=O)n(Cc1ccc(F)cc1)c(=O)n2CC(=O)Nc1ccc(Br)cc1	ZINC000064775078	554515455	/nfs/dbraw/zinc/51/54/55/554515455.db2.gz	GHOXCCDJOXLYQL-UHFFFAOYSA-N	0	0	514.355	3.277	50	0		KGAARN
O=C([C@@H]1Nc2cc(C(F)(F)F)ccc2S(=O)(=O)N1)N1CCN(c2cccc(C(F)(F)F)c2)CC1	ZINC000064775296	554515749	/nfs/dbraw/zinc/51/57/49/554515749.db2.gz	YQTMDUSBDWYGSN-QGZVFWFLSA-N	0	0	508.444	3.103	50	0		KGAARN
O=C([C@H]1Nc2cc(C(F)(F)F)ccc2S(=O)(=O)N1)N1CCN(c2cccc(C(F)(F)F)c2)CC1	ZINC000064775297	554515767	/nfs/dbraw/zinc/51/57/67/554515767.db2.gz	YQTMDUSBDWYGSN-KRWDZBQOSA-N	0	0	508.444	3.103	50	0		KGAARN
Cc1ccc(S(=O)(=O)c2ccc(N3CCC(C(=O)N4CCN(c5ccccc5)CC4)CC3)nn2)cc1	ZINC000064775321	554515754	/nfs/dbraw/zinc/51/57/54/554515754.db2.gz	WFXXJXWPKHLJBN-UHFFFAOYSA-N	0	0	505.644	3.183	50	0		KGAARN
CCn1c2nc(-c3ccccc3)nn2c(=O)c(CCC(=O)N2CCN(c3ccccc3OC)CC2)c1C	ZINC000064792302	554516306	/nfs/dbraw/zinc/51/63/06/554516306.db2.gz	DYADCHYKQKLWMB-UHFFFAOYSA-N	0	0	500.603	3.176	50	0		KGAARN
Cc1c(CCC(=O)N2CCN(c3ccc(F)cc3)CC2)c(=O)n2nc(-c3ccc(Cl)cc3)nc2n1C	ZINC000064792397	554516284	/nfs/dbraw/zinc/51/62/84/554516284.db2.gz	KXNVXFQIDWWGAJ-UHFFFAOYSA-N	0	0	508.985	3.477	50	0		KGAARN
COc1ccccc1N1CCN(C(=O)CCc2c(C)n(C)c3nc(-c4ccc(Cl)cc4)nn3c2=O)CC1	ZINC000064792399	554516210	/nfs/dbraw/zinc/51/62/10/554516210.db2.gz	ZXSFMQKXNIGHQP-UHFFFAOYSA-N	0	0	521.021	3.347	50	0		KGAARN
COc1ccccc1N1CCN(C(=O)CN2c3nnnn3[C@H](c3ccccc3)C=C2c2ccccc2)CC1	ZINC000064792588	554516288	/nfs/dbraw/zinc/51/62/88/554516288.db2.gz	IBUMRYFBIAEZPM-SANMLTNESA-N	0	0	507.598	3.481	50	0		KGAARN
COc1ccccc1N1CCN(C(=O)CN2c3nnnn3[C@@H](c3ccccc3)C=C2c2ccccc2)CC1	ZINC000064792595	554516187	/nfs/dbraw/zinc/51/61/87/554516187.db2.gz	IBUMRYFBIAEZPM-AREMUKBSSA-N	0	0	507.598	3.481	50	0		KGAARN
CCOC(=O)N1CCN(C(=O)CN2c3nnnn3[C@H](c3ccc(C)cc3)C=C2c2ccc(C)cc2)CC1	ZINC000064793278	554516476	/nfs/dbraw/zinc/51/64/76/554516476.db2.gz	KLGBZFGWQDQPRZ-DEOSSOPVSA-N	0	0	501.591	3.041	50	0		KGAARN
CCOC(=O)N1CCN(C(=O)CN2c3nnnn3[C@@H](c3ccc(C)cc3)C=C2c2ccc(C)cc2)CC1	ZINC000064793281	554516528	/nfs/dbraw/zinc/51/65/28/554516528.db2.gz	KLGBZFGWQDQPRZ-XMMPIXPASA-N	0	0	501.591	3.041	50	0		KGAARN
CCOC(=O)N1CCN(C(=O)CN2c3nnnn3[C@H](c3ccc(Cl)cc3)C=C2c2ccccc2)CC1	ZINC000064793571	554516520	/nfs/dbraw/zinc/51/65/20/554516520.db2.gz	LBRDNBNBNAIQJC-QFIPXVFZSA-N	0	0	507.982	3.078	50	0		KGAARN
CCOC(=O)N1CCN(C(=O)CN2c3nnnn3[C@@H](c3ccc(Cl)cc3)C=C2c2ccccc2)CC1	ZINC000064793574	554516517	/nfs/dbraw/zinc/51/65/17/554516517.db2.gz	LBRDNBNBNAIQJC-JOCHJYFZSA-N	0	0	507.982	3.078	50	0		KGAARN
CCOC(=O)CC1=CC(=O)N(CC(=O)N2CCN(c3ccccc3OC)CC2)c2cc(C)c(C)cc2N1	ZINC000064869382	554519558	/nfs/dbraw/zinc/51/95/58/554519558.db2.gz	IROVAVWFTIZAQR-UHFFFAOYSA-N	0	0	506.603	3.256	50	0		KGAARN
CCCN(C(=O)CCc1nc(-c2nn(-c3ccc(Cl)cc3)c(=O)n(C)c2=O)no1)c1ccc(F)cc1	ZINC000064888398	554519592	/nfs/dbraw/zinc/51/95/92/554519592.db2.gz	IDPGDGWRAGZRQL-UHFFFAOYSA-N	0	0	512.929	3.150	50	0		KGAARN
CCN(C(=O)CCc1nc(-c2nn(-c3ccc(Cl)cc3)c(=O)n(C)c2=O)no1)c1cc(C)ccc1C	ZINC000064888399	554519460	/nfs/dbraw/zinc/51/94/60/554519460.db2.gz	AGGWTDLRYUDFPP-UHFFFAOYSA-N	0	0	508.966	3.237	50	0		KGAARN
CCc1ccccc1N(C)C(=O)CCc1nc(-c2nn(-c3ccc(Cl)cc3)c(=O)n(CC)c2=O)no1	ZINC000064888413	554519581	/nfs/dbraw/zinc/51/95/81/554519581.db2.gz	AKIHWIBMOVMZCN-UHFFFAOYSA-N	0	0	508.966	3.276	50	0		KGAARN
CCn1c(=O)c(-c2noc(CCC(=O)N(C)c3ccc(C)c(C)c3)n2)nn(-c2ccc(Cl)cc2)c1=O	ZINC000064888415	554519598	/nfs/dbraw/zinc/51/95/98/554519598.db2.gz	IBTIWDNLFKSEPR-UHFFFAOYSA-N	0	0	508.966	3.330	50	0		KGAARN
CCN(C(=O)CCc1nc(-c2nn(-c3ccc(Cl)cc3)c(=O)n(CC)c2=O)no1)c1cccc(C)c1	ZINC000064888417	554519530	/nfs/dbraw/zinc/51/95/30/554519530.db2.gz	JLGZSWDWBULZND-UHFFFAOYSA-N	0	0	508.966	3.412	50	0		KGAARN
CCN(C(=O)CCc1nc(-c2nn(-c3ccc(Cl)cc3)c(=O)n(CC)c2=O)no1)c1ccccc1C	ZINC000064888418	554519595	/nfs/dbraw/zinc/51/95/95/554519595.db2.gz	PBOHJTWNHJIMQC-UHFFFAOYSA-N	0	0	508.966	3.412	50	0		KGAARN
CC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H]2c2nnc(C(=O)Nc3ccc4c(c3)OCO4)s2)cc1	ZINC000064941232	554520418	/nfs/dbraw/zinc/52/04/18/554520418.db2.gz	NFVJWBUCZUKNGL-QGZVFWFLSA-N	0	0	500.558	3.248	50	0		KGAARN
CC(=O)c1ccc(S(=O)(=O)N2CCC[C@H]2c2nnc(C(=O)Nc3ccc4c(c3)OCO4)s2)cc1	ZINC000064941236	554520459	/nfs/dbraw/zinc/52/04/59/554520459.db2.gz	NFVJWBUCZUKNGL-KRWDZBQOSA-N	0	0	500.558	3.248	50	0		KGAARN
CCCN1C(=O)c2c(C(=O)NCc3ccc(OC)cc3)ncn2C[C@@]1(C)C(=O)NCc1ccc(C)cc1	ZINC000064953068	554520728	/nfs/dbraw/zinc/52/07/28/554520728.db2.gz	OJZFWIROZXPSEG-NDEPHWFRSA-N	0	0	503.603	3.071	50	0		KGAARN
CCCN1C(=O)c2c(C(=O)NCc3ccc(OC)cc3)ncn2C[C@]1(C)C(=O)NCc1ccc(C)cc1	ZINC000064953071	554520734	/nfs/dbraw/zinc/52/07/34/554520734.db2.gz	OJZFWIROZXPSEG-MUUNZHRXSA-N	0	0	503.603	3.071	50	0		KGAARN
CCCN1C(=O)c2c(C(=O)NCCc3ccc(C)cc3)ncn2C[C@@]1(C)C(=O)NCc1ccc(C)cc1	ZINC000064953112	554520722	/nfs/dbraw/zinc/52/07/22/554520722.db2.gz	JAAFHGSGOVXVFS-LJAQVGFWSA-N	0	0	501.631	3.413	50	0		KGAARN
CCCN1C(=O)c2c(C(=O)NCCc3ccc(C)cc3)ncn2C[C@]1(C)C(=O)NCc1ccc(C)cc1	ZINC000064953113	554520621	/nfs/dbraw/zinc/52/06/21/554520621.db2.gz	JAAFHGSGOVXVFS-GDLZYMKVSA-N	0	0	501.631	3.413	50	0		KGAARN
CCCN1C(=O)c2c(C(=O)NCc3ccccc3OC)ncn2C[C@@]1(C)C(=O)NCc1ccc(C)cc1	ZINC000064953119	554520678	/nfs/dbraw/zinc/52/06/78/554520678.db2.gz	VGGMSIFEORTZEV-NDEPHWFRSA-N	0	0	503.603	3.071	50	0		KGAARN
CCCN1C(=O)c2c(C(=O)NCc3ccccc3OC)ncn2C[C@]1(C)C(=O)NCc1ccc(C)cc1	ZINC000064953120	554520716	/nfs/dbraw/zinc/52/07/16/554520716.db2.gz	VGGMSIFEORTZEV-MUUNZHRXSA-N	0	0	503.603	3.071	50	0		KGAARN
CCCN1C(=O)c2c(C(=O)NCc3ccccc3OCC)ncn2C[C@@]1(C)C(=O)NCc1ccc(C)cc1	ZINC000064953159	554520726	/nfs/dbraw/zinc/52/07/26/554520726.db2.gz	OSTJSLDKNDMRLP-LJAQVGFWSA-N	0	0	517.630	3.461	50	0		KGAARN
CCCN1C(=O)c2c(C(=O)NCc3ccccc3OCC)ncn2C[C@]1(C)C(=O)NCc1ccc(C)cc1	ZINC000064953162	554520669	/nfs/dbraw/zinc/52/06/69/554520669.db2.gz	OSTJSLDKNDMRLP-GDLZYMKVSA-N	0	0	517.630	3.461	50	0		KGAARN
CCCN1C(=O)c2c(C(=O)NCc3ccc(OCC)cc3)ncn2C[C@@]1(C)C(=O)NCc1ccc(C)cc1	ZINC000064953163	554520660	/nfs/dbraw/zinc/52/06/60/554520660.db2.gz	LNSHGMGUKWJPBE-LJAQVGFWSA-N	0	0	517.630	3.461	50	0		KGAARN
CCCN1C(=O)c2c(C(=O)NCc3ccc(OCC)cc3)ncn2C[C@]1(C)C(=O)NCc1ccc(C)cc1	ZINC000064953165	554520741	/nfs/dbraw/zinc/52/07/41/554520741.db2.gz	LNSHGMGUKWJPBE-GDLZYMKVSA-N	0	0	517.630	3.461	50	0		KGAARN
CCCN1C(=O)c2c(C(=O)NCc3ccc(OC)cc3OC)ncn2C[C@@]1(C)C(=O)NCc1ccc(C)cc1	ZINC000064953179	554520885	/nfs/dbraw/zinc/52/08/85/554520885.db2.gz	FNIZHESTLITFIZ-LJAQVGFWSA-N	0	0	533.629	3.080	50	0		KGAARN
CCCN1C(=O)c2c(C(=O)NCc3ccc(OC)cc3OC)ncn2C[C@]1(C)C(=O)NCc1ccc(C)cc1	ZINC000064953181	554520951	/nfs/dbraw/zinc/52/09/51/554520951.db2.gz	FNIZHESTLITFIZ-GDLZYMKVSA-N	0	0	533.629	3.080	50	0		KGAARN
CCCN1C(=O)c2c(C(=O)NCc3cc(OC)ccc3OC)ncn2C[C@@]1(C)C(=O)NCc1ccc(C)cc1	ZINC000064953189	554520945	/nfs/dbraw/zinc/52/09/45/554520945.db2.gz	YTWLEXNKYRCBGG-LJAQVGFWSA-N	0	0	533.629	3.080	50	0		KGAARN
CCCN1C(=O)c2c(C(=O)NCc3cc(OC)ccc3OC)ncn2C[C@]1(C)C(=O)NCc1ccc(C)cc1	ZINC000064953191	554520964	/nfs/dbraw/zinc/52/09/64/554520964.db2.gz	YTWLEXNKYRCBGG-GDLZYMKVSA-N	0	0	533.629	3.080	50	0		KGAARN
CCCN1C(=O)c2c(C(=O)NCCc3ccc(C)cc3)ncn2C[C@@]1(C)C(=O)NCc1ccc(F)cc1	ZINC000064953312	554520966	/nfs/dbraw/zinc/52/09/66/554520966.db2.gz	KSJWMNDGYBDZLO-NDEPHWFRSA-N	0	0	505.594	3.244	50	0		KGAARN
CCCN1C(=O)c2c(C(=O)NCCc3ccc(C)cc3)ncn2C[C@]1(C)C(=O)NCc1ccc(F)cc1	ZINC000064953315	554520888	/nfs/dbraw/zinc/52/08/88/554520888.db2.gz	KSJWMNDGYBDZLO-MUUNZHRXSA-N	0	0	505.594	3.244	50	0		KGAARN
CCCN1C(=O)c2c(C(=O)NCc3ccccc3OCC)ncn2C[C@@]1(C)C(=O)NCc1ccc(F)cc1	ZINC000064953359	554520893	/nfs/dbraw/zinc/52/08/93/554520893.db2.gz	OGYXLQGSPWEOPW-NDEPHWFRSA-N	0	0	521.593	3.292	50	0		KGAARN
CCCN1C(=O)c2c(C(=O)NCc3ccccc3OCC)ncn2C[C@]1(C)C(=O)NCc1ccc(F)cc1	ZINC000064953361	554520996	/nfs/dbraw/zinc/52/09/96/554520996.db2.gz	OGYXLQGSPWEOPW-MUUNZHRXSA-N	0	0	521.593	3.292	50	0		KGAARN
CCCN1C(=O)c2c(C(=O)NCc3ccc(OCC)cc3)ncn2C[C@@]1(C)C(=O)NCc1ccc(F)cc1	ZINC000064953363	554520900	/nfs/dbraw/zinc/52/09/00/554520900.db2.gz	YZQLBPMBCXKKSB-NDEPHWFRSA-N	0	0	521.593	3.292	50	0		KGAARN
CCCN1C(=O)c2c(C(=O)NCc3ccc(OCC)cc3)ncn2C[C@]1(C)C(=O)NCc1ccc(F)cc1	ZINC000064953364	554520960	/nfs/dbraw/zinc/52/09/60/554520960.db2.gz	YZQLBPMBCXKKSB-MUUNZHRXSA-N	0	0	521.593	3.292	50	0		KGAARN
CCCN1C(=O)c2c(C(=O)NCc3ccc(CC)cc3)ncn2C[C@@]1(C)C(=O)NCc1ccc(F)cc1	ZINC000064953377	554520981	/nfs/dbraw/zinc/52/09/81/554520981.db2.gz	WXTWWMRTHJDJIL-NDEPHWFRSA-N	0	0	505.594	3.456	50	0		KGAARN
CCCN1C(=O)c2c(C(=O)NCc3ccc(CC)cc3)ncn2C[C@]1(C)C(=O)NCc1ccc(F)cc1	ZINC000064953380	554520993	/nfs/dbraw/zinc/52/09/93/554520993.db2.gz	WXTWWMRTHJDJIL-MUUNZHRXSA-N	0	0	505.594	3.456	50	0		KGAARN
CCCN1C(=O)c2c(C(=O)NCc3cccc(Cl)c3)ncn2C[C@@]1(C)C(=O)NCc1ccc(OC)cc1	ZINC000064953412	554521234	/nfs/dbraw/zinc/52/12/34/554521234.db2.gz	SWRQHNHVFRPHCH-MHZLTWQESA-N	0	0	524.021	3.416	50	0		KGAARN
CCCN1C(=O)c2c(C(=O)NCc3cccc(Cl)c3)ncn2C[C@]1(C)C(=O)NCc1ccc(OC)cc1	ZINC000064953413	554521181	/nfs/dbraw/zinc/52/11/81/554521181.db2.gz	SWRQHNHVFRPHCH-HHHXNRCGSA-N	0	0	524.021	3.416	50	0		KGAARN
CCCN1C(=O)c2c(C(=O)NCc3ccccc3Cl)ncn2C[C@@]1(C)C(=O)NCc1ccc(OC)cc1	ZINC000064953428	554521196	/nfs/dbraw/zinc/52/11/96/554521196.db2.gz	KKXVSAYWNJMZHL-MHZLTWQESA-N	0	0	524.021	3.416	50	0		KGAARN
CCCN1C(=O)c2c(C(=O)NCc3ccccc3Cl)ncn2C[C@]1(C)C(=O)NCc1ccc(OC)cc1	ZINC000064953429	554521232	/nfs/dbraw/zinc/52/12/32/554521232.db2.gz	KKXVSAYWNJMZHL-HHHXNRCGSA-N	0	0	524.021	3.416	50	0		KGAARN
CCCN1C(=O)c2c(C(=O)NCc3ccc(C)cc3)ncn2C[C@@]1(C)C(=O)NCc1ccc(OC)cc1	ZINC000064953447	554521198	/nfs/dbraw/zinc/52/11/98/554521198.db2.gz	PDKIQEDUDJXWDS-NDEPHWFRSA-N	0	0	503.603	3.071	50	0		KGAARN
CCCN1C(=O)c2c(C(=O)NCc3ccc(C)cc3)ncn2C[C@]1(C)C(=O)NCc1ccc(OC)cc1	ZINC000064953450	554521132	/nfs/dbraw/zinc/52/11/32/554521132.db2.gz	PDKIQEDUDJXWDS-MUUNZHRXSA-N	0	0	503.603	3.071	50	0		KGAARN
CCCN1C(=O)c2c(C(=O)NCc3cccc(C)c3)ncn2C[C@@]1(C)C(=O)NCc1ccc(OC)cc1	ZINC000064953469	554521142	/nfs/dbraw/zinc/52/11/42/554521142.db2.gz	YTUNJZIMFKFYOE-NDEPHWFRSA-N	0	0	503.603	3.071	50	0		KGAARN
CCCN1C(=O)c2c(C(=O)NCc3cccc(C)c3)ncn2C[C@]1(C)C(=O)NCc1ccc(OC)cc1	ZINC000064953472	554521224	/nfs/dbraw/zinc/52/12/24/554521224.db2.gz	YTUNJZIMFKFYOE-MUUNZHRXSA-N	0	0	503.603	3.071	50	0		KGAARN
CCCN1C(=O)c2c(C(=O)NCCc3ccc(C)cc3)ncn2C[C@@]1(C)C(=O)NCc1ccc(OC)cc1	ZINC000064953481	554521215	/nfs/dbraw/zinc/52/12/15/554521215.db2.gz	JPEYMDNWXZZGSA-LJAQVGFWSA-N	0	0	517.630	3.114	50	0		KGAARN
CCCN1C(=O)c2c(C(=O)NCCc3ccc(C)cc3)ncn2C[C@]1(C)C(=O)NCc1ccc(OC)cc1	ZINC000064953484	554521151	/nfs/dbraw/zinc/52/11/51/554521151.db2.gz	JPEYMDNWXZZGSA-GDLZYMKVSA-N	0	0	517.630	3.114	50	0		KGAARN
CCCN1C(=O)c2c(C(=O)NCCC3=CCCCC3)ncn2C[C@@]1(C)C(=O)NCc1ccc(OC)cc1	ZINC000064953505	554521169	/nfs/dbraw/zinc/52/11/69/554521169.db2.gz	CSGWVTRODKKUDX-NDEPHWFRSA-N	0	0	507.635	3.453	50	0		KGAARN
CCCN1C(=O)c2c(C(=O)NCCC3=CCCCC3)ncn2C[C@]1(C)C(=O)NCc1ccc(OC)cc1	ZINC000064953509	554521218	/nfs/dbraw/zinc/52/12/18/554521218.db2.gz	CSGWVTRODKKUDX-MUUNZHRXSA-N	0	0	507.635	3.453	50	0		KGAARN
CCCN1C(=O)c2c(C(=O)NCc3ccccc3OCC)ncn2C[C@@]1(C)C(=O)NCc1ccc(OC)cc1	ZINC000064953523	554521435	/nfs/dbraw/zinc/52/14/35/554521435.db2.gz	RZEQNBZCIPMIPN-LJAQVGFWSA-N	0	0	533.629	3.161	50	0		KGAARN
CCCN1C(=O)c2c(C(=O)NCc3ccccc3OCC)ncn2C[C@]1(C)C(=O)NCc1ccc(OC)cc1	ZINC000064953524	554521445	/nfs/dbraw/zinc/52/14/45/554521445.db2.gz	RZEQNBZCIPMIPN-GDLZYMKVSA-N	0	0	533.629	3.161	50	0		KGAARN
CCCN1C(=O)c2c(C(=O)NCc3cccc(Br)c3)ncn2C[C@@]1(C)C(=O)NC1CCCC1	ZINC000064953720	554521428	/nfs/dbraw/zinc/52/14/28/554521428.db2.gz	VHWVVCRYYFEPPC-DEOSSOPVSA-N	0	0	516.440	3.259	50	0		KGAARN
CCCN1C(=O)c2c(C(=O)NCc3cccc(Br)c3)ncn2C[C@]1(C)C(=O)NC1CCCC1	ZINC000064953722	554521465	/nfs/dbraw/zinc/52/14/65/554521465.db2.gz	VHWVVCRYYFEPPC-XMMPIXPASA-N	0	0	516.440	3.259	50	0		KGAARN
C[C@]1(C(=O)NCc2ccccc2)Cn2cnc(C(=O)NCCc3ccc(Cl)cc3)c2C(=O)N1C1CC1	ZINC000064953748	554521385	/nfs/dbraw/zinc/52/13/85/554521385.db2.gz	VWKITXKTHAJKHN-HHHXNRCGSA-N	0	0	506.006	3.202	50	0		KGAARN
C[C@@]1(C(=O)NCc2ccccc2)Cn2cnc(C(=O)NCCc3ccc(Cl)cc3)c2C(=O)N1C1CC1	ZINC000064953751	554521454	/nfs/dbraw/zinc/52/14/54/554521454.db2.gz	VWKITXKTHAJKHN-MHZLTWQESA-N	0	0	506.006	3.202	50	0		KGAARN
CC(C)Oc1ccc(CNC(=O)c2ncn3c2C(=O)N(C2CC2)[C@](C)(C(=O)NCc2ccccc2)C3)cc1	ZINC000064953860	554521380	/nfs/dbraw/zinc/52/13/80/554521380.db2.gz	YUAVFQNFBFLUFU-LJAQVGFWSA-N	0	0	515.614	3.294	50	0		KGAARN
CC(C)Oc1ccc(CNC(=O)c2ncn3c2C(=O)N(C2CC2)[C@@](C)(C(=O)NCc2ccccc2)C3)cc1	ZINC000064953861	554521443	/nfs/dbraw/zinc/52/14/43/554521443.db2.gz	YUAVFQNFBFLUFU-GDLZYMKVSA-N	0	0	515.614	3.294	50	0		KGAARN
Cc1ccc(CNC(=O)[C@]2(C)Cn3cnc(C(=O)NCc4ccccc4Cl)c3C(=O)N2C2CC2)cc1	ZINC000064953881	554521393	/nfs/dbraw/zinc/52/13/93/554521393.db2.gz	BGLVWNDFVKFICE-MHZLTWQESA-N	0	0	506.006	3.468	50	0		KGAARN
Cc1ccc(CNC(=O)[C@@]2(C)Cn3cnc(C(=O)NCc4ccccc4Cl)c3C(=O)N2C2CC2)cc1	ZINC000064953882	554521424	/nfs/dbraw/zinc/52/14/24/554521424.db2.gz	BGLVWNDFVKFICE-HHHXNRCGSA-N	0	0	506.006	3.468	50	0		KGAARN
C[C@]1(C(=O)NCc2ccc(F)cc2)Cn2cnc(C(=O)NCc3cccc(Cl)c3)c2C(=O)N1C1CC1	ZINC000064954005	554521643	/nfs/dbraw/zinc/52/16/43/554521643.db2.gz	SMIPLHBJIQISLP-AREMUKBSSA-N	0	0	509.969	3.299	50	0		KGAARN
C[C@@]1(C(=O)NCc2ccc(F)cc2)Cn2cnc(C(=O)NCc3cccc(Cl)c3)c2C(=O)N1C1CC1	ZINC000064954007	554521617	/nfs/dbraw/zinc/52/16/17/554521617.db2.gz	SMIPLHBJIQISLP-SANMLTNESA-N	0	0	509.969	3.299	50	0		KGAARN
CC(=O)c1ccc(NC(=O)c2ncn3c2C(=O)N(C2CC2)[C@](C)(C(=O)NCc2ccc(F)cc2)C3)cc1	ZINC000064954010	554521633	/nfs/dbraw/zinc/52/16/33/554521633.db2.gz	IEOYFZUFPICRJH-MHZLTWQESA-N	0	0	503.534	3.170	50	0		KGAARN
CC(=O)c1ccc(NC(=O)c2ncn3c2C(=O)N(C2CC2)[C@@](C)(C(=O)NCc2ccc(F)cc2)C3)cc1	ZINC000064954011	554521575	/nfs/dbraw/zinc/52/15/75/554521575.db2.gz	IEOYFZUFPICRJH-HHHXNRCGSA-N	0	0	503.534	3.170	50	0		KGAARN
C[C@]1(C(=O)NCc2ccc(F)cc2)Cn2cnc(C(=O)NCc3ccccc3Cl)c2C(=O)N1C1CC1	ZINC000064954017	554521584	/nfs/dbraw/zinc/52/15/84/554521584.db2.gz	SLMHERVQTGPBQX-AREMUKBSSA-N	0	0	509.969	3.299	50	0		KGAARN
C[C@@]1(C(=O)NCc2ccc(F)cc2)Cn2cnc(C(=O)NCc3ccccc3Cl)c2C(=O)N1C1CC1	ZINC000064954018	554521587	/nfs/dbraw/zinc/52/15/87/554521587.db2.gz	SLMHERVQTGPBQX-SANMLTNESA-N	0	0	509.969	3.299	50	0		KGAARN
C[C@]1(C(=O)NCc2ccc(F)cc2)Cn2cnc(C(=O)NCc3ccc(Cl)cc3)c2C(=O)N1C1CC1	ZINC000064954021	554521590	/nfs/dbraw/zinc/52/15/90/554521590.db2.gz	PROYXJDAHJEZKM-AREMUKBSSA-N	0	0	509.969	3.299	50	0		KGAARN
C[C@@]1(C(=O)NCc2ccc(F)cc2)Cn2cnc(C(=O)NCc3ccc(Cl)cc3)c2C(=O)N1C1CC1	ZINC000064954022	554521598	/nfs/dbraw/zinc/52/15/98/554521598.db2.gz	PROYXJDAHJEZKM-SANMLTNESA-N	0	0	509.969	3.299	50	0		KGAARN
C[C@]1(C(=O)NCc2ccc(F)cc2)Cn2cnc(C(=O)NCCc3ccc(Cl)cc3)c2C(=O)N1C1CC1	ZINC000064954023	554521608	/nfs/dbraw/zinc/52/16/08/554521608.db2.gz	IPAMRIWYNVEURN-HHHXNRCGSA-N	0	0	523.996	3.341	50	0		KGAARN
C[C@@]1(C(=O)NCc2ccc(F)cc2)Cn2cnc(C(=O)NCCc3ccc(Cl)cc3)c2C(=O)N1C1CC1	ZINC000064954025	554521568	/nfs/dbraw/zinc/52/15/68/554521568.db2.gz	IPAMRIWYNVEURN-MHZLTWQESA-N	0	0	523.996	3.341	50	0		KGAARN
CCOc1ccc(NC(=O)c2ncn3c2C(=O)N(C2CC2)[C@](C)(C(=O)NCc2ccc(F)cc2)C3)cc1	ZINC000064954058	554521558	/nfs/dbraw/zinc/52/15/58/554521558.db2.gz	FEHTXLLUEYAYEG-MHZLTWQESA-N	0	0	505.550	3.367	50	0		KGAARN
CCOc1ccc(NC(=O)c2ncn3c2C(=O)N(C2CC2)[C@@](C)(C(=O)NCc2ccc(F)cc2)C3)cc1	ZINC000064954060	554521596	/nfs/dbraw/zinc/52/15/96/554521596.db2.gz	FEHTXLLUEYAYEG-HHHXNRCGSA-N	0	0	505.550	3.367	50	0		KGAARN
C[C@]1(C(=O)NCc2ccc(F)cc2)Cn2cnc(C(=O)NCCCc3ccccc3)c2C(=O)N1C1CC1	ZINC000064954062	554521601	/nfs/dbraw/zinc/52/16/01/554521601.db2.gz	JPDYAKNSIGWXEI-MUUNZHRXSA-N	0	0	503.578	3.078	50	0		KGAARN
C[C@@]1(C(=O)NCc2ccc(F)cc2)Cn2cnc(C(=O)NCCCc3ccccc3)c2C(=O)N1C1CC1	ZINC000064954065	554521593	/nfs/dbraw/zinc/52/15/93/554521593.db2.gz	JPDYAKNSIGWXEI-NDEPHWFRSA-N	0	0	503.578	3.078	50	0		KGAARN
COc1ccc(C)cc1NC(=O)c1ncn2c1C(=O)N(C1CC1)[C@](C)(C(=O)NCc1ccc(F)cc1)C2	ZINC000064954166	554521778	/nfs/dbraw/zinc/52/17/78/554521778.db2.gz	NGASFFNYCLQGNJ-MHZLTWQESA-N	0	0	505.550	3.285	50	0		KGAARN
COc1ccc(C)cc1NC(=O)c1ncn2c1C(=O)N(C1CC1)[C@@](C)(C(=O)NCc1ccc(F)cc1)C2	ZINC000064954168	554521776	/nfs/dbraw/zinc/52/17/76/554521776.db2.gz	NGASFFNYCLQGNJ-HHHXNRCGSA-N	0	0	505.550	3.285	50	0		KGAARN
Cc1ccc(C)c(CNC(=O)c2ncn3c2C(=O)N(C2CC2)[C@](C)(C(=O)NCc2ccc(F)cc2)C3)c1	ZINC000064954181	554521793	/nfs/dbraw/zinc/52/17/93/554521793.db2.gz	DGXPGSKXGLQFHO-NDEPHWFRSA-N	0	0	503.578	3.262	50	0		KGAARN
Cc1ccc(C)c(CNC(=O)c2ncn3c2C(=O)N(C2CC2)[C@@](C)(C(=O)NCc2ccc(F)cc2)C3)c1	ZINC000064954182	554521811	/nfs/dbraw/zinc/52/18/11/554521811.db2.gz	DGXPGSKXGLQFHO-MUUNZHRXSA-N	0	0	503.578	3.262	50	0		KGAARN
CCOc1ccc(CNC(=O)c2ncn3c2C(=O)N(C2CC2)[C@](C)(C(=O)NCc2ccc(F)cc2)C3)cc1	ZINC000064954192	554521783	/nfs/dbraw/zinc/52/17/83/554521783.db2.gz	DFRLUWSHSSBWTR-NDEPHWFRSA-N	0	0	519.577	3.044	50	0		KGAARN
CCOc1ccc(CNC(=O)c2ncn3c2C(=O)N(C2CC2)[C@@](C)(C(=O)NCc2ccc(F)cc2)C3)cc1	ZINC000064954194	554521772	/nfs/dbraw/zinc/52/17/72/554521772.db2.gz	DFRLUWSHSSBWTR-MUUNZHRXSA-N	0	0	519.577	3.044	50	0		KGAARN
C[C@]1(C(=O)NCc2ccc(F)cc2)Cn2cnc(C(=O)NCCc3ccccc3Cl)c2C(=O)N1C1CC1	ZINC000064954214	554521748	/nfs/dbraw/zinc/52/17/48/554521748.db2.gz	BNWWSOYJPDFHGL-HHHXNRCGSA-N	0	0	523.996	3.341	50	0		KGAARN
C[C@@]1(C(=O)NCc2ccc(F)cc2)Cn2cnc(C(=O)NCCc3ccccc3Cl)c2C(=O)N1C1CC1	ZINC000064954216	554521803	/nfs/dbraw/zinc/52/18/03/554521803.db2.gz	BNWWSOYJPDFHGL-MHZLTWQESA-N	0	0	523.996	3.341	50	0		KGAARN
CCc1ccc(CNC(=O)c2ncn3c2C(=O)N(C2CC2)[C@](C)(C(=O)NCc2ccc(F)cc2)C3)cc1	ZINC000064954219	554521758	/nfs/dbraw/zinc/52/17/58/554521758.db2.gz	FBTNQFSOBUQGKI-NDEPHWFRSA-N	0	0	503.578	3.208	50	0		KGAARN
CCc1ccc(CNC(=O)c2ncn3c2C(=O)N(C2CC2)[C@@](C)(C(=O)NCc2ccc(F)cc2)C3)cc1	ZINC000064954221	554521801	/nfs/dbraw/zinc/52/18/01/554521801.db2.gz	FBTNQFSOBUQGKI-MUUNZHRXSA-N	0	0	503.578	3.208	50	0		KGAARN
COc1ccc(CNC(=O)[C@@]2(C)Cn3cnc(C(=O)NCc4cccc(Cl)c4)c3C(=O)N2C2CC2)cc1	ZINC000064954224	554521932	/nfs/dbraw/zinc/52/19/32/554521932.db2.gz	HQLSPOHGHDIRTA-HHHXNRCGSA-N	0	0	522.005	3.168	50	0		KGAARN
COc1ccc(CNC(=O)[C@]2(C)Cn3cnc(C(=O)NCc4cccc(Cl)c4)c3C(=O)N2C2CC2)cc1	ZINC000064954227	554522014	/nfs/dbraw/zinc/52/20/14/554522014.db2.gz	HQLSPOHGHDIRTA-MHZLTWQESA-N	0	0	522.005	3.168	50	0		KGAARN
COc1ccc(CNC(=O)[C@@]2(C)Cn3cnc(C(=O)NCc4ccccc4Cl)c3C(=O)N2C2CC2)cc1	ZINC000064954241	554522008	/nfs/dbraw/zinc/52/20/08/554522008.db2.gz	WBXAKJHABNSRFU-HHHXNRCGSA-N	0	0	522.005	3.168	50	0		KGAARN
COc1ccc(CNC(=O)[C@]2(C)Cn3cnc(C(=O)NCc4ccccc4Cl)c3C(=O)N2C2CC2)cc1	ZINC000064954244	554521935	/nfs/dbraw/zinc/52/19/35/554521935.db2.gz	WBXAKJHABNSRFU-MHZLTWQESA-N	0	0	522.005	3.168	50	0		KGAARN
COc1ccc(CNC(=O)[C@@]2(C)Cn3cnc(C(=O)NC4CCCCCCC4)c3C(=O)N2C2CC2)cc1	ZINC000064954249	554521943	/nfs/dbraw/zinc/52/19/43/554521943.db2.gz	KSWLNBONAGWHDG-MUUNZHRXSA-N	0	0	507.635	3.428	50	0		KGAARN
COc1ccc(CNC(=O)[C@]2(C)Cn3cnc(C(=O)NC4CCCCCCC4)c3C(=O)N2C2CC2)cc1	ZINC000064954252	554521939	/nfs/dbraw/zinc/52/19/39/554521939.db2.gz	KSWLNBONAGWHDG-NDEPHWFRSA-N	0	0	507.635	3.428	50	0		KGAARN
CCc1ccccc1NC(=O)c1ncn2c1C(=O)N(C1CC1)[C@](C)(C(=O)NCc1ccc(OC)cc1)C2	ZINC000064954268	554521984	/nfs/dbraw/zinc/52/19/84/554521984.db2.gz	XMHGBRDOIFEROA-NDEPHWFRSA-N	0	0	501.587	3.400	50	0		KGAARN
CCc1ccccc1NC(=O)c1ncn2c1C(=O)N(C1CC1)[C@@](C)(C(=O)NCc1ccc(OC)cc1)C2	ZINC000064954269	554522017	/nfs/dbraw/zinc/52/20/17/554522017.db2.gz	XMHGBRDOIFEROA-MUUNZHRXSA-N	0	0	501.587	3.400	50	0		KGAARN
CCOc1ccccc1NC(=O)c1ncn2c1C(=O)N(C1CC1)[C@](C)(C(=O)NCc1ccc(OC)cc1)C2	ZINC000064954352	554522029	/nfs/dbraw/zinc/52/20/29/554522029.db2.gz	KCRXUFJVRVNYPC-NDEPHWFRSA-N	0	0	517.586	3.236	50	0		KGAARN
CCOc1ccccc1NC(=O)c1ncn2c1C(=O)N(C1CC1)[C@@](C)(C(=O)NCc1ccc(OC)cc1)C2	ZINC000064954354	554522033	/nfs/dbraw/zinc/52/20/33/554522033.db2.gz	KCRXUFJVRVNYPC-MUUNZHRXSA-N	0	0	517.586	3.236	50	0		KGAARN
CCc1ccc(CNC(=O)c2ncn3c2C(=O)N(C2CC2)[C@](C)(C(=O)NCc2ccc(OC)cc2)C3)cc1	ZINC000064954404	554522201	/nfs/dbraw/zinc/52/22/01/554522201.db2.gz	NQZGKLITWOGRMK-LJAQVGFWSA-N	0	0	515.614	3.077	50	0		KGAARN
CCc1ccc(CNC(=O)c2ncn3c2C(=O)N(C2CC2)[C@@](C)(C(=O)NCc2ccc(OC)cc2)C3)cc1	ZINC000064954406	554522179	/nfs/dbraw/zinc/52/21/79/554522179.db2.gz	NQZGKLITWOGRMK-GDLZYMKVSA-N	0	0	515.614	3.077	50	0		KGAARN
CC(C)OCCCNC(=O)[C@]1(C)Cn2cnc(C(=O)Nc3ccccc3C(F)(F)F)c2C(=O)N1C1CC1	ZINC000064954654	554522195	/nfs/dbraw/zinc/52/21/95/554522195.db2.gz	OKNWMQHZUOLIQE-DEOSSOPVSA-N	0	0	521.540	3.462	50	0		KGAARN
CC(C)OCCCNC(=O)[C@@]1(C)Cn2cnc(C(=O)Nc3ccccc3C(F)(F)F)c2C(=O)N1C1CC1	ZINC000064954660	554522241	/nfs/dbraw/zinc/52/22/41/554522241.db2.gz	OKNWMQHZUOLIQE-XMMPIXPASA-N	0	0	521.540	3.462	50	0		KGAARN
Cc1c(Cl)cccc1NC(=O)c1ncn2c1C(=O)N(C1CC1)[C@](C)(C(=O)NCCCOC(C)C)C2	ZINC000064954693	554522228	/nfs/dbraw/zinc/52/22/28/554522228.db2.gz	VUKRHLSXHPLVKI-VWLOTQADSA-N	0	0	502.015	3.405	50	0		KGAARN
Cc1c(Cl)cccc1NC(=O)c1ncn2c1C(=O)N(C1CC1)[C@@](C)(C(=O)NCCCOC(C)C)C2	ZINC000064954696	554522176	/nfs/dbraw/zinc/52/21/76/554522176.db2.gz	VUKRHLSXHPLVKI-RUZDIDTESA-N	0	0	502.015	3.405	50	0		KGAARN
Cc1ccc(NC(=O)c2ncn3c2C(=O)N(C2CC2)[C@](C)(C(=O)NCCCOC(C)C)C3)cc1Cl	ZINC000064954697	554522193	/nfs/dbraw/zinc/52/21/93/554522193.db2.gz	ZLERMZKJBIOUSB-VWLOTQADSA-N	0	0	502.015	3.405	50	0		KGAARN
Cc1ccc(NC(=O)c2ncn3c2C(=O)N(C2CC2)[C@@](C)(C(=O)NCCCOC(C)C)C3)cc1Cl	ZINC000064954700	554522174	/nfs/dbraw/zinc/52/21/74/554522174.db2.gz	ZLERMZKJBIOUSB-RUZDIDTESA-N	0	0	502.015	3.405	50	0		KGAARN
Cc1ccc(NC(=O)c2ncn3c2C(=O)N(C2CC2)[C@](C)(C(=O)NCCCOC(C)C)C3)c(Cl)c1	ZINC000064954709	554522214	/nfs/dbraw/zinc/52/22/14/554522214.db2.gz	XWNRJLCLLLQFES-VWLOTQADSA-N	0	0	502.015	3.405	50	0		KGAARN
Cc1ccc(NC(=O)c2ncn3c2C(=O)N(C2CC2)[C@@](C)(C(=O)NCCCOC(C)C)C3)c(Cl)c1	ZINC000064954711	554522184	/nfs/dbraw/zinc/52/21/84/554522184.db2.gz	XWNRJLCLLLQFES-RUZDIDTESA-N	0	0	502.015	3.405	50	0		KGAARN
COc1ccccc1CNC(=O)[C@@]1(C)Cn2cnc(C(=O)NCc3ccccc3Cl)c2C(=O)N1C1CC1	ZINC000064954731	554522197	/nfs/dbraw/zinc/52/21/97/554522197.db2.gz	XEBGMWDQCBMRSG-HHHXNRCGSA-N	0	0	522.005	3.168	50	0		KGAARN
COc1ccccc1CNC(=O)[C@]1(C)Cn2cnc(C(=O)NCc3ccccc3Cl)c2C(=O)N1C1CC1	ZINC000064954732	554522237	/nfs/dbraw/zinc/52/22/37/554522237.db2.gz	XEBGMWDQCBMRSG-MHZLTWQESA-N	0	0	522.005	3.168	50	0		KGAARN
COc1ccccc1CNC(=O)[C@@]1(C)Cn2cnc(C(=O)NC3CCCCCCC3)c2C(=O)N1C1CC1	ZINC000064954738	554522177	/nfs/dbraw/zinc/52/21/77/554522177.db2.gz	IZNDVSCZKVTHOY-MUUNZHRXSA-N	0	0	507.635	3.428	50	0		KGAARN
COc1ccccc1CNC(=O)[C@]1(C)Cn2cnc(C(=O)NC3CCCCCCC3)c2C(=O)N1C1CC1	ZINC000064954741	554522170	/nfs/dbraw/zinc/52/21/70/554522170.db2.gz	IZNDVSCZKVTHOY-NDEPHWFRSA-N	0	0	507.635	3.428	50	0		KGAARN
COc1ccccc1CNC(=O)[C@]1(C)Cn2cnc(C(=O)Nc3cccc(C)c3C)c2C(=O)N1C1CC1	ZINC000064954747	554522235	/nfs/dbraw/zinc/52/22/35/554522235.db2.gz	QAPJCDRUGSGTMG-NDEPHWFRSA-N	0	0	501.587	3.454	50	0		KGAARN
COc1ccccc1CNC(=O)[C@@]1(C)Cn2cnc(C(=O)Nc3cccc(C)c3C)c2C(=O)N1C1CC1	ZINC000064954750	554522181	/nfs/dbraw/zinc/52/21/81/554522181.db2.gz	QAPJCDRUGSGTMG-MUUNZHRXSA-N	0	0	501.587	3.454	50	0		KGAARN
CCc1ccccc1NC(=O)c1ncn2c1C(=O)N(C1CC1)[C@](C)(C(=O)NCc1ccccc1OC)C2	ZINC000064954757	554522203	/nfs/dbraw/zinc/52/22/03/554522203.db2.gz	DPQXZFQAHZPMTE-NDEPHWFRSA-N	0	0	501.587	3.400	50	0		KGAARN
CCc1ccccc1NC(=O)c1ncn2c1C(=O)N(C1CC1)[C@@](C)(C(=O)NCc1ccccc1OC)C2	ZINC000064954759	554522247	/nfs/dbraw/zinc/52/22/47/554522247.db2.gz	DPQXZFQAHZPMTE-MUUNZHRXSA-N	0	0	501.587	3.400	50	0		KGAARN
CCOc1ccc(NC(=O)c2ncn3c2C(=O)N(C2CC2)[C@](C)(C(=O)NCc2ccccc2OC)C3)cc1	ZINC000064954781	554522207	/nfs/dbraw/zinc/52/22/07/554522207.db2.gz	QSZODCUMTFTCRM-NDEPHWFRSA-N	0	0	517.586	3.236	50	0		KGAARN
CCOc1ccc(NC(=O)c2ncn3c2C(=O)N(C2CC2)[C@@](C)(C(=O)NCc2ccccc2OC)C3)cc1	ZINC000064954782	554522221	/nfs/dbraw/zinc/52/22/21/554522221.db2.gz	QSZODCUMTFTCRM-MUUNZHRXSA-N	0	0	517.586	3.236	50	0		KGAARN
COc1ccccc1CNC(=O)[C@]1(C)Cn2cnc(C(=O)Nc3cc(C)ccc3C)c2C(=O)N1C1CC1	ZINC000064954793	554522396	/nfs/dbraw/zinc/52/23/96/554522396.db2.gz	VDJKLZYFXBESCI-NDEPHWFRSA-N	0	0	501.587	3.454	50	0		KGAARN
COc1ccccc1CNC(=O)[C@@]1(C)Cn2cnc(C(=O)Nc3cc(C)ccc3C)c2C(=O)N1C1CC1	ZINC000064954796	554522398	/nfs/dbraw/zinc/52/23/98/554522398.db2.gz	VDJKLZYFXBESCI-MUUNZHRXSA-N	0	0	501.587	3.454	50	0		KGAARN
COc1ccccc1CNC(=O)[C@]1(C)Cn2cnc(C(=O)Nc3ccc(C)cc3C)c2C(=O)N1C1CC1	ZINC000064954799	554522415	/nfs/dbraw/zinc/52/24/15/554522415.db2.gz	PNYGERMWIKJUCO-NDEPHWFRSA-N	0	0	501.587	3.454	50	0		KGAARN
COc1ccccc1CNC(=O)[C@@]1(C)Cn2cnc(C(=O)Nc3ccc(C)cc3C)c2C(=O)N1C1CC1	ZINC000064954800	554522424	/nfs/dbraw/zinc/52/24/24/554522424.db2.gz	PNYGERMWIKJUCO-MUUNZHRXSA-N	0	0	501.587	3.454	50	0		KGAARN
CCc1ccc(CNC(=O)c2ncn3c2C(=O)N(C2CC2)[C@](C)(C(=O)NCc2ccccc2OC)C3)cc1	ZINC000064954853	554522401	/nfs/dbraw/zinc/52/24/01/554522401.db2.gz	GBBVRTHPUHWBSF-LJAQVGFWSA-N	0	0	515.614	3.077	50	0		KGAARN
CCc1ccc(CNC(=O)c2ncn3c2C(=O)N(C2CC2)[C@@](C)(C(=O)NCc2ccccc2OC)C3)cc1	ZINC000064954855	554522377	/nfs/dbraw/zinc/52/23/77/554522377.db2.gz	GBBVRTHPUHWBSF-GDLZYMKVSA-N	0	0	515.614	3.077	50	0		KGAARN
CCOc1ccc(CNC(=O)c2ncn3c2C(=O)N(C2CC2)[C@](C)(C(=O)NCc2cccc(C)c2)C3)cc1	ZINC000064954989	554522418	/nfs/dbraw/zinc/52/24/18/554522418.db2.gz	ZEUBLQYRXLVINS-LJAQVGFWSA-N	0	0	515.614	3.214	50	0		KGAARN
CCOc1ccc(CNC(=O)c2ncn3c2C(=O)N(C2CC2)[C@@](C)(C(=O)NCc2cccc(C)c2)C3)cc1	ZINC000064954991	554522413	/nfs/dbraw/zinc/52/24/13/554522413.db2.gz	ZEUBLQYRXLVINS-GDLZYMKVSA-N	0	0	515.614	3.214	50	0		KGAARN
C[C@]1(C(=O)NCc2ccccc2Cl)Cn2cnc(C(=O)N3CCc4ccccc43)c2C(=O)N1C1CC1	ZINC000064955040	554522659	/nfs/dbraw/zinc/52/26/59/554522659.db2.gz	BXZMCMCTWHDQHR-HHHXNRCGSA-N	0	0	503.990	3.433	50	0		KGAARN
C[C@@]1(C(=O)NCc2ccccc2Cl)Cn2cnc(C(=O)N3CCc4ccccc43)c2C(=O)N1C1CC1	ZINC000064955043	554522660	/nfs/dbraw/zinc/52/26/60/554522660.db2.gz	BXZMCMCTWHDQHR-MHZLTWQESA-N	0	0	503.990	3.433	50	0		KGAARN
COc1ccc(CNC(=O)c2ncn3c2C(=O)N(C2CC2)[C@@](C)(C(=O)NCc2ccccc2Cl)C3)cc1	ZINC000064955047	554522677	/nfs/dbraw/zinc/52/26/77/554522677.db2.gz	ZJRPHFKVZJMMQT-HHHXNRCGSA-N	0	0	522.005	3.168	50	0		KGAARN
COc1ccc(CNC(=O)c2ncn3c2C(=O)N(C2CC2)[C@](C)(C(=O)NCc2ccccc2Cl)C3)cc1	ZINC000064955048	554522667	/nfs/dbraw/zinc/52/26/67/554522667.db2.gz	ZJRPHFKVZJMMQT-MHZLTWQESA-N	0	0	522.005	3.168	50	0		KGAARN
COc1cccc(CNC(=O)c2ncn3c2C(=O)N(C2CC2)[C@@](C)(C(=O)NCc2ccccc2Cl)C3)c1	ZINC000064955083	554522658	/nfs/dbraw/zinc/52/26/58/554522658.db2.gz	JQLGHFKQNHSAHS-HHHXNRCGSA-N	0	0	522.005	3.168	50	0		KGAARN
COc1cccc(CNC(=O)c2ncn3c2C(=O)N(C2CC2)[C@](C)(C(=O)NCc2ccccc2Cl)C3)c1	ZINC000064955086	554522675	/nfs/dbraw/zinc/52/26/75/554522675.db2.gz	JQLGHFKQNHSAHS-MHZLTWQESA-N	0	0	522.005	3.168	50	0		KGAARN
C[C@]1(C(=O)NCc2ccccc2Cl)Cn2cnc(C(=O)NCc3ccc(F)cc3)c2C(=O)N1C1CC1	ZINC000064955087	554522676	/nfs/dbraw/zinc/52/26/76/554522676.db2.gz	BPQNAOQHWRYTMH-AREMUKBSSA-N	0	0	509.969	3.299	50	0		KGAARN
C[C@@]1(C(=O)NCc2ccccc2Cl)Cn2cnc(C(=O)NCc3ccc(F)cc3)c2C(=O)N1C1CC1	ZINC000064955090	554522674	/nfs/dbraw/zinc/52/26/74/554522674.db2.gz	BPQNAOQHWRYTMH-SANMLTNESA-N	0	0	509.969	3.299	50	0		KGAARN
C[C@]1(C(=O)NCc2ccccc2Cl)Cn2cnc(C(=O)NCCc3cccs3)c2C(=O)N1C1CC1	ZINC000064955126	554522671	/nfs/dbraw/zinc/52/26/71/554522671.db2.gz	NDOSAMBWNMKMHV-RUZDIDTESA-N	0	0	512.035	3.264	50	0		KGAARN
C[C@@]1(C(=O)NCc2ccccc2Cl)Cn2cnc(C(=O)NCCc3cccs3)c2C(=O)N1C1CC1	ZINC000064955128	554522650	/nfs/dbraw/zinc/52/26/50/554522650.db2.gz	NDOSAMBWNMKMHV-VWLOTQADSA-N	0	0	512.035	3.264	50	0		KGAARN
C[C@]1(C(=O)NCc2ccccc2Cl)Cn2cnc(C(=O)NCc3cccc(F)c3)c2C(=O)N1C1CC1	ZINC000064955134	554522663	/nfs/dbraw/zinc/52/26/63/554522663.db2.gz	IBZIPZSABYMIPO-AREMUKBSSA-N	0	0	509.969	3.299	50	0		KGAARN
C[C@@]1(C(=O)NCc2ccccc2Cl)Cn2cnc(C(=O)NCc3cccc(F)c3)c2C(=O)N1C1CC1	ZINC000064955137	554522673	/nfs/dbraw/zinc/52/26/73/554522673.db2.gz	IBZIPZSABYMIPO-SANMLTNESA-N	0	0	509.969	3.299	50	0		KGAARN
COc1cc(NC(=O)CCCn2nnc3cc(S(=O)(=O)N4CCCCC4)ccc32)cc(OC)c1OC	ZINC000064956533	554522754	/nfs/dbraw/zinc/52/27/54/554522754.db2.gz	ISAPWPHZQFCUQY-UHFFFAOYSA-N	0	0	517.608	3.051	50	0		KGAARN
Cc1cc(NC(=O)NCCn2nnc3cc(S(=O)(=O)N4CCCC4)ccc32)ccc1Br	ZINC000064956552	554522766	/nfs/dbraw/zinc/52/27/66/554522766.db2.gz	MLBRGLCAZMZZQC-UHFFFAOYSA-N	0	0	507.414	3.108	50	0		KGAARN
COc1ccc(NC(=O)CN2c3cc(S(=O)(=O)N4CCCC4)ccc3SC[C@@H](C)C2=O)c(OC)c1	ZINC000064965541	554522806	/nfs/dbraw/zinc/52/28/06/554522806.db2.gz	QBCJJNPELZKONK-MRXNPFEDSA-N	0	0	519.645	3.202	50	0		KGAARN
COc1ccc(NC(=O)CN2c3cc(S(=O)(=O)N4CCCC4)ccc3SC[C@H](C)C2=O)c(OC)c1	ZINC000064965543	554522836	/nfs/dbraw/zinc/52/28/36/554522836.db2.gz	QBCJJNPELZKONK-INIZCTEOSA-N	0	0	519.645	3.202	50	0		KGAARN
COc1ccc(OC)c(NC(=O)CN2c3cc(S(=O)(=O)N4CCCC4)ccc3SC[C@@H](C)C2=O)c1	ZINC000064965550	554522820	/nfs/dbraw/zinc/52/28/20/554522820.db2.gz	YNYRDRBCUGLATN-MRXNPFEDSA-N	0	0	519.645	3.202	50	0		KGAARN
COc1ccc(OC)c(NC(=O)CN2c3cc(S(=O)(=O)N4CCCC4)ccc3SC[C@H](C)C2=O)c1	ZINC000064965551	554522842	/nfs/dbraw/zinc/52/28/42/554522842.db2.gz	YNYRDRBCUGLATN-INIZCTEOSA-N	0	0	519.645	3.202	50	0		KGAARN
COc1ccc(NC(=O)CN2c3cc(S(=O)(=O)N4CCCC4)ccc3SC[C@@H](C)C2=O)cc1OC	ZINC000064965555	554522848	/nfs/dbraw/zinc/52/28/48/554522848.db2.gz	UBILTSXDIXJFCA-MRXNPFEDSA-N	0	0	519.645	3.202	50	0		KGAARN
COc1ccc(NC(=O)CN2c3cc(S(=O)(=O)N4CCCC4)ccc3SC[C@H](C)C2=O)cc1OC	ZINC000064965556	554522792	/nfs/dbraw/zinc/52/27/92/554522792.db2.gz	UBILTSXDIXJFCA-INIZCTEOSA-N	0	0	519.645	3.202	50	0		KGAARN
COc1cc(NC(=O)CN2c3cc(S(=O)(=O)N4CCCC4)ccc3SC[C@@H](C)C2=O)cc(OC)c1	ZINC000064965558	554522783	/nfs/dbraw/zinc/52/27/83/554522783.db2.gz	SDBDMMBBPMVIAZ-MRXNPFEDSA-N	0	0	519.645	3.202	50	0		KGAARN
COc1cc(NC(=O)CN2c3cc(S(=O)(=O)N4CCCC4)ccc3SC[C@H](C)C2=O)cc(OC)c1	ZINC000064965559	554522796	/nfs/dbraw/zinc/52/27/96/554522796.db2.gz	SDBDMMBBPMVIAZ-INIZCTEOSA-N	0	0	519.645	3.202	50	0		KGAARN
Cc1cc(C)n(CC(=O)Nc2ccc3c(c2)OCCO3)c(=O)c1-c1nc(-c2ccc3c(c2)OCO3)no1	ZINC000064971960	554523297	/nfs/dbraw/zinc/52/32/97/554523297.db2.gz	CZJUQLXHTVPGHP-UHFFFAOYSA-N	0	0	502.483	3.321	50	0		KGAARN
CCOC(=O)c1c(C)n(C)c(C)c1S(=O)(=O)N1CCC(C(=O)Nc2ccc(C)c(N(C)C)c2)CC1	ZINC000064979369	554523304	/nfs/dbraw/zinc/52/33/04/554523304.db2.gz	NQHCENJSSNZBFB-UHFFFAOYSA-N	0	0	504.653	3.232	50	0		KGAARN
CCOC(=O)C1CCN(c2cc3c(cc2S(=O)(=O)N2CCOCC2)C(=O)Nc2cc(C)ccc2O3)CC1	ZINC000064986758	554524130	/nfs/dbraw/zinc/52/41/30/554524130.db2.gz	AEGOVMBNYVFARH-UHFFFAOYSA-N	0	0	529.615	3.153	50	0		KGAARN
CCCn1c2ccc(S(=O)(=O)N3CCC(C(=O)Nc4ccc5c(c4)OCCO5)CC3)cc2sc1=O	ZINC000065022339	554524814	/nfs/dbraw/zinc/52/48/14/554524814.db2.gz	MVSSXESDMVJGPK-UHFFFAOYSA-N	0	0	517.629	3.284	50	0		KGAARN
CCCn1c(=O)sc2cc(S(=O)(=O)N3CCN(C(=O)/C=C/c4ccc(OC)cc4)CC3)ccc21	ZINC000065032881	554524689	/nfs/dbraw/zinc/52/46/89/554524689.db2.gz	DDDQXUXDASPXJV-IZZDOVSWSA-N	0	0	501.630	3.028	50	0		KGAARN
CCCn1c(=O)sc2cc(S(=O)(=O)N3CCN(C(=O)c4ccc(Cl)cc4OC)CC3)ccc21	ZINC000065032933	554525018	/nfs/dbraw/zinc/52/50/18/554525018.db2.gz	XWQYXGOUUDHOCW-UHFFFAOYSA-N	0	0	510.037	3.282	50	0		KGAARN
CCCn1c2ccc(S(=O)(=O)N3CCN(C(=O)C4(c5ccc(OC)cc5)CC4)CC3)cc2sc1=O	ZINC000065032936	554524978	/nfs/dbraw/zinc/52/49/78/554524978.db2.gz	QTUKXDNSSFZVAD-UHFFFAOYSA-N	0	0	515.657	3.046	50	0		KGAARN
CCCn1c(=O)sc2cc(S(=O)(=O)N3CCN(C(=O)/C=C/c4ccccc4OC)CC3)ccc21	ZINC000065032969	554525005	/nfs/dbraw/zinc/52/50/05/554525005.db2.gz	FCTRZKJHBYNZGK-DHZHZOJOSA-N	0	0	501.630	3.028	50	0		KGAARN
CCSc1nc2c(s1)c(=O)n(-c1ccccc1)c(=O)n2CC(=O)N1CCN(c2ccccc2)CC1	ZINC000065100725	554524959	/nfs/dbraw/zinc/52/49/59/554524959.db2.gz	KLBYWWIROFMOAN-UHFFFAOYSA-N	0	0	507.641	3.070	50	0		KGAARN
CCSc1nc2c(s1)c(=O)n(-c1ccccc1)c(=O)n2CC(=O)NCc1cccc(OC)c1OC	ZINC000065100768	554524925	/nfs/dbraw/zinc/52/49/25/554524925.db2.gz	OWGWIQXFKUBLCO-UHFFFAOYSA-N	0	0	512.613	3.055	50	0		KGAARN
CCSc1nc2c(s1)c(=O)n(-c1ccc(C)cc1)c(=O)n2CC(=O)NCc1ccc2c(c1)OCO2	ZINC000065100831	554524909	/nfs/dbraw/zinc/52/49/09/554524909.db2.gz	KJQDPOUCZXCRGC-UHFFFAOYSA-N	0	0	510.597	3.074	50	0		KGAARN
COc1cc(-c2nc(Cn3nnc(C(=O)Nc4ccc(F)cc4F)c3N)c(C)o2)cc(OC)c1OC	ZINC000065113668	554525034	/nfs/dbraw/zinc/52/50/34/554525034.db2.gz	OSVOANXUPGIDKW-UHFFFAOYSA-N	0	0	500.462	3.428	50	0		KGAARN
COc1ccc(-c2c(C(=O)NCc3ccco3)nn3c2nc(C)cc3C)cc1S(=O)(=O)N1CCCC1	ZINC000065119011	554525251	/nfs/dbraw/zinc/52/52/51/554525251.db2.gz	RZHUIGPIYGNKRV-UHFFFAOYSA-N	0	0	509.588	3.329	50	0		KGAARN
COc1ccc(-c2c(C(=O)NC[C@@H]3CCCO3)nn3c2nc(C)cc3C)cc1S(=O)(=O)N1CCCCC1	ZINC000065119086	554525225	/nfs/dbraw/zinc/52/52/25/554525225.db2.gz	XIJCQBMQODBLPR-FQEVSTJZSA-N	0	0	527.647	3.105	50	0		KGAARN
COc1ccc(-c2c(C(=O)NC[C@H]3CCCO3)nn3c2nc(C)cc3C)cc1S(=O)(=O)N1CCCCC1	ZINC000065119088	554525244	/nfs/dbraw/zinc/52/52/44/554525244.db2.gz	XIJCQBMQODBLPR-HXUWFJFHSA-N	0	0	527.647	3.105	50	0		KGAARN
Cn1cc(C(=O)N[C@@H]2CCc3ccccc32)c(S(=O)(=O)N2CCN(c3ccc(Cl)cc3)CC2)n1	ZINC000065152184	554525724	/nfs/dbraw/zinc/52/57/24/554525724.db2.gz	DQFAFSYLXGLFKP-JOCHJYFZSA-N	0	0	500.024	3.002	50	0		KGAARN
Cn1cc(C(=O)N[C@H]2CCc3ccccc32)c(S(=O)(=O)N2CCN(c3ccc(Cl)cc3)CC2)n1	ZINC000065152185	554525751	/nfs/dbraw/zinc/52/57/51/554525751.db2.gz	DQFAFSYLXGLFKP-QFIPXVFZSA-N	0	0	500.024	3.002	50	0		KGAARN
COc1ccc(NC(=O)C2CCN(c3c4c(C)nsc4ncc3C(=O)N3CCOCC3)CC2)cc1OC	ZINC000065301223	554526050	/nfs/dbraw/zinc/52/60/50/554526050.db2.gz	GBCYHRXXCYEJNS-UHFFFAOYSA-N	0	0	525.631	3.344	50	0		KGAARN
COc1ccc(NC(=O)C2CCN(c3c4c(C)nsc4ncc3C(=O)N3CCOCC3)CC2)c(OC)c1	ZINC000065301238	554526002	/nfs/dbraw/zinc/52/60/02/554526002.db2.gz	BDRWZBOBOVZNCM-UHFFFAOYSA-N	0	0	525.631	3.344	50	0		KGAARN
COc1cc(NC(=O)C2CCN(c3c4c(C)nsc4ncc3C(=O)N3CCOCC3)CC2)cc(OC)c1	ZINC000065301240	554525940	/nfs/dbraw/zinc/52/59/40/554525940.db2.gz	LPVGGAPOBYROFX-UHFFFAOYSA-N	0	0	525.631	3.344	50	0		KGAARN
CCN(CC)S(=O)(=O)N1CCC(C(=O)NCc2ccc3c(c2)CCN3C(=O)c2cccc(C)c2)CC1	ZINC000065305015	554526338	/nfs/dbraw/zinc/52/63/38/554526338.db2.gz	VENJSOHWGKUSIC-UHFFFAOYSA-N	0	0	512.676	3.113	50	0		KGAARN
CCn1c2c(C(=O)NCc3ccc(OC)cc3)cnn2c(=O)c2c1CCN(Cc1ccc(OC)cc1)C2	ZINC000065330861	554526202	/nfs/dbraw/zinc/52/62/02/554526202.db2.gz	PGZOJJFVVGLHJI-UHFFFAOYSA-N	0	0	501.587	3.021	50	0		KGAARN
CCn1c2c(C(=O)Nc3ccc4c(c3)OCO4)cnn2c(=O)c2c1CCN(Cc1ccc(OC)cc1)C2	ZINC000065330862	554526289	/nfs/dbraw/zinc/52/62/89/554526289.db2.gz	APYMNIPZDFRPHR-UHFFFAOYSA-N	0	0	501.543	3.064	50	0		KGAARN
Nc1nc(N2CCC(Cc3ccccc3)CC2)nc2c1[C@@H](C(=O)Nc1ccc3c(c1)OCO3)CC(=O)O2	ZINC000066087421	554527640	/nfs/dbraw/zinc/52/76/40/554527640.db2.gz	TWNRSAWMUXMJQV-IBGZPJMESA-N	0	0	501.543	3.278	50	0		KGAARN
Nc1nc(N2CCC(Cc3ccccc3)CC2)nc2c1[C@H](C(=O)Nc1ccc3c(c1)OCO3)CC(=O)O2	ZINC000066087423	554527542	/nfs/dbraw/zinc/52/75/42/554527542.db2.gz	TWNRSAWMUXMJQV-LJQANCHMSA-N	0	0	501.543	3.278	50	0		KGAARN
COC(=O)Cn1c(=O)sc2c1N(c1ccc(OC)cc1)C(=O)C[C@H]2c1cc(OC)c(OC)c(OC)c1	ZINC000066087789	554527480	/nfs/dbraw/zinc/52/74/80/554527480.db2.gz	LZTKPOJXWTZEMP-KRWDZBQOSA-N	0	0	514.556	3.318	50	0		KGAARN
COC(=O)Cn1c(=O)sc2c1N(c1ccc(OC)cc1)C(=O)C[C@@H]2c1cc(OC)c(OC)c(OC)c1	ZINC000066087791	554527596	/nfs/dbraw/zinc/52/75/96/554527596.db2.gz	LZTKPOJXWTZEMP-QGZVFWFLSA-N	0	0	514.556	3.318	50	0		KGAARN
COC(=O)Cn1c(=O)sc2c1N(c1ccc(F)cc1)C(=O)C[C@H]2c1cc(OC)c(OC)c(OC)c1	ZINC000066089722	554527881	/nfs/dbraw/zinc/52/78/81/554527881.db2.gz	QZAJUEAJTZUTDV-INIZCTEOSA-N	0	0	502.520	3.448	50	0		KGAARN
COC(=O)Cn1c(=O)sc2c1N(c1ccc(F)cc1)C(=O)C[C@@H]2c1cc(OC)c(OC)c(OC)c1	ZINC000066089724	554527953	/nfs/dbraw/zinc/52/79/53/554527953.db2.gz	QZAJUEAJTZUTDV-MRXNPFEDSA-N	0	0	502.520	3.448	50	0		KGAARN
COC(=O)Cn1c(=O)sc2c1N(c1ccc(F)cc1)C(=O)C[C@H]2c1cc(OC)c2c(c1OC)OCO2	ZINC000066089742	554527904	/nfs/dbraw/zinc/52/79/04/554527904.db2.gz	UVHLDFCEYKXSRF-HNNXBMFYSA-N	0	0	516.503	3.168	50	0		KGAARN
COC(=O)Cn1c(=O)sc2c1N(c1ccc(F)cc1)C(=O)C[C@@H]2c1cc(OC)c2c(c1OC)OCO2	ZINC000066089745	554527871	/nfs/dbraw/zinc/52/78/71/554527871.db2.gz	UVHLDFCEYKXSRF-OAHLLOKOSA-N	0	0	516.503	3.168	50	0		KGAARN
COC(=O)Cn1c(=O)sc2c1N(c1ccc(F)cc1)C(=O)C[C@H]2c1cc2c(c(OC)c1OC)OCO2	ZINC000066089747	554527876	/nfs/dbraw/zinc/52/78/76/554527876.db2.gz	OZXQTXZJPOTYGR-HNNXBMFYSA-N	0	0	516.503	3.168	50	0		KGAARN
COC(=O)Cn1c(=O)sc2c1N(c1ccc(F)cc1)C(=O)C[C@@H]2c1cc2c(c(OC)c1OC)OCO2	ZINC000066089748	554527957	/nfs/dbraw/zinc/52/79/57/554527957.db2.gz	OZXQTXZJPOTYGR-OAHLLOKOSA-N	0	0	516.503	3.168	50	0		KGAARN
COC(=O)Cn1c(=O)sc2c1N(c1cccc(OC)c1)C(=O)C[C@H]2c1cc(OC)c(OC)c(OC)c1	ZINC000066089846	554527961	/nfs/dbraw/zinc/52/79/61/554527961.db2.gz	JGWLKMJEJZCKSB-KRWDZBQOSA-N	0	0	514.556	3.318	50	0		KGAARN
COC(=O)Cn1c(=O)sc2c1N(c1cccc(OC)c1)C(=O)C[C@@H]2c1cc(OC)c(OC)c(OC)c1	ZINC000066089848	554527831	/nfs/dbraw/zinc/52/78/31/554527831.db2.gz	JGWLKMJEJZCKSB-QGZVFWFLSA-N	0	0	514.556	3.318	50	0		KGAARN
CC(C)(O)C(=O)N1CCN(c2ccc(C(F)(F)F)c(C3=C(c4c[nH]c5ccccc54)C(=O)NC3=O)c2)CC1	ZINC000066103171	554528214	/nfs/dbraw/zinc/52/82/14/554528214.db2.gz	CLGRAWDGLMENOD-UHFFFAOYSA-N	0	0	526.515	3.173	50	0	in-vitro	KGAARN
CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1	ZINC000066113142	554528483	/nfs/dbraw/zinc/52/84/83/554528483.db2.gz	HATHBYWHGSOPIJ-BGYRXZFFSA-N	0	0	547.674	3.371	50	0		KGAARN
CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)cc1	ZINC000066113145	554528492	/nfs/dbraw/zinc/52/84/92/554528492.db2.gz	HATHBYWHGSOPIJ-WOJBJXKFSA-N	0	0	547.674	3.371	50	0		KGAARN
CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)c1ccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)cc1	ZINC000066113146	554528424	/nfs/dbraw/zinc/52/84/24/554528424.db2.gz	HATHBYWHGSOPIJ-PMACEKPBSA-N	0	0	547.674	3.371	50	0		KGAARN
COc1cc(/C=C/C(=O)OCC(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2Cl)cc(OC)c1OC	ZINC000066113796	554528605	/nfs/dbraw/zinc/52/86/05/554528605.db2.gz	UBVVLRIUOOGZLE-RMKNXTFCSA-N	0	0	539.006	3.345	50	0		KGAARN
O=C(CN1CCN(S(=O)(=O)c2cc(Br)ccc2Br)CC1)NCc1ccccc1Cl	ZINC000066123560	554528513	/nfs/dbraw/zinc/52/85/13/554528513.db2.gz	WVOODGTYNIGSMY-UHFFFAOYSA-N	0	0	565.715	3.488	50	0		KGAARN
CC(C)CN(C(=O)CN(C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O	ZINC000066124254	554528941	/nfs/dbraw/zinc/52/89/41/554528941.db2.gz	QGMMSXWFQNVABD-UHFFFAOYSA-N	0	0	561.005	3.007	50	0		KGAARN
Cc1ccc(NC(=O)c2ccc(S(=O)(=O)N(C)c3ccccc3)cc2)cc1S(=O)(=O)N1CCOCC1	ZINC000066124399	554528786	/nfs/dbraw/zinc/52/87/86/554528786.db2.gz	XHQNKPLHZWHNQL-UHFFFAOYSA-N	0	0	529.640	3.093	50	0		KGAARN
Cc1cc(OCCCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCOCC2)ccc1Cl	ZINC000066129611	554528833	/nfs/dbraw/zinc/52/88/33/554528833.db2.gz	URXKGSXEFFONNV-UHFFFAOYSA-N	0	0	538.066	3.304	50	0		KGAARN
COc1ccc(NC(=O)CN(C)C(=O)c2cccc(S(=O)(=O)N3CCN(c4ccc(F)cc4)CC3)c2)cc1	ZINC000066136413	554529192	/nfs/dbraw/zinc/52/91/92/554529192.db2.gz	WXMDRPOKIZIDCB-UHFFFAOYSA-N	0	0	540.617	3.056	50	0		KGAARN
CCOC(=O)c1c(C)c(C(=O)N(C)C)sc1NC(=O)CN1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1	ZINC000066139280	554529155	/nfs/dbraw/zinc/52/91/55/554529155.db2.gz	ZEMRUBLCJDJZJH-UHFFFAOYSA-N	0	0	591.539	3.187	50	0		KGAARN
Cc1cc(Cl)ccc1OCCCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1	ZINC000066147798	554529024	/nfs/dbraw/zinc/52/90/24/554529024.db2.gz	HNWURYFFZHNLNP-UHFFFAOYSA-N	0	0	538.066	3.304	50	0		KGAARN
CN(CC(=O)Nc1cccc(F)c1)C(=O)c1cccc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)c1	ZINC000066148573	554529343	/nfs/dbraw/zinc/52/93/43/554529343.db2.gz	XKJGSYGGXPVGLN-UHFFFAOYSA-N	0	0	528.581	3.186	50	0		KGAARN
CC[C@@H](C)c1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(Cl)c(S(=O)(=O)N4CCOCC4)c3)CC2)cc1	ZINC000066157520	554529430	/nfs/dbraw/zinc/52/94/30/554529430.db2.gz	DICDFHLQCPUFHH-LJQANCHMSA-N	0	0	570.133	3.021	50	0		KGAARN
CC[C@H](C)c1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(Cl)c(S(=O)(=O)N4CCOCC4)c3)CC2)cc1	ZINC000066157523	554529424	/nfs/dbraw/zinc/52/94/24/554529424.db2.gz	DICDFHLQCPUFHH-IBGZPJMESA-N	0	0	570.133	3.021	50	0		KGAARN
Cc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(C(C)(C)C)cc3)CC2)cc1S(=O)(=O)N1CCOCC1	ZINC000066166887	554529438	/nfs/dbraw/zinc/52/94/38/554529438.db2.gz	AUHNHCUWYZUWPA-UHFFFAOYSA-N	0	0	563.742	3.353	50	0		KGAARN
Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)CN(c3ccccc3)S(=O)(=O)N(C)C)cc2)cc1	ZINC000067190015	554530291	/nfs/dbraw/zinc/53/02/91/554530291.db2.gz	ZVIZYHFQMVKQPW-UHFFFAOYSA-N	0	0	502.618	3.047	50	0		KGAARN
CCN1CCN(c2nc3ncn(CC(=O)Nc4cc(C(F)(F)F)ccc4Cl)c(=O)c3s2)CC1	ZINC000067225908	554530119	/nfs/dbraw/zinc/53/01/19/554530119.db2.gz	JXAQQXSLUQRLCX-UHFFFAOYSA-N	0	0	500.934	3.306	50	0		KGAARN
COc1ccc(CCNC(=O)Cn2c3ccccc3c(=O)n(Cc3ccccc3Cl)c2=O)cc1OC	ZINC000067335373	554530588	/nfs/dbraw/zinc/53/05/88/554530588.db2.gz	HGJZKNCUACQYND-UHFFFAOYSA-N	0	0	507.974	3.241	50	0		KGAARN
CCOc1ccccc1N1CCN(S(=O)(=O)c2nn(C)cc2C(=O)N(CC(C)C)CC(C)C)CC1	ZINC000067336886	554530571	/nfs/dbraw/zinc/53/05/71/554530571.db2.gz	VGGVWLRDBRJRDW-UHFFFAOYSA-N	0	0	505.685	3.084	50	0		KGAARN
CCOc1ccccc1N1CCN(S(=O)(=O)c2nn(C)cc2C(=O)N(Cc2ccccc2)C(C)C)CC1	ZINC000067336897	554530493	/nfs/dbraw/zinc/53/04/93/554530493.db2.gz	JPPKFBDJBZOVTN-UHFFFAOYSA-N	0	0	525.675	3.381	50	0		KGAARN
CCCCN(CCCC)C(=O)c1cn(C)nc1S(=O)(=O)N1CCN(c2ccccc2OCC)CC1	ZINC000067336955	554530503	/nfs/dbraw/zinc/53/05/03/554530503.db2.gz	YVLLBJVAPOUPJN-UHFFFAOYSA-N	0	0	505.685	3.372	50	0		KGAARN
CCOc1ccccc1N1CCN(S(=O)(=O)c2nn(CC)cc2C(=O)N(C)C2CCCCC2)CC1	ZINC000067336963	554530510	/nfs/dbraw/zinc/53/05/10/554530510.db2.gz	YTQVRMFBBQLEJG-UHFFFAOYSA-N	0	0	503.669	3.217	50	0		KGAARN
CCOc1ccccc1N1CCN(S(=O)(=O)c2nn(CC)cc2C(=O)N(C)Cc2ccccc2)CC1	ZINC000067336966	554530513	/nfs/dbraw/zinc/53/05/13/554530513.db2.gz	WQEAZDORGJISJI-UHFFFAOYSA-N	0	0	511.648	3.085	50	0		KGAARN
CCOc1ccccc1N1CCN(S(=O)(=O)c2nn(CC)cc2C(=O)N(CC)Cc2ccccc2)CC1	ZINC000067336970	554530533	/nfs/dbraw/zinc/53/05/33/554530533.db2.gz	UOYOVCNDSDHTPC-UHFFFAOYSA-N	0	0	525.675	3.475	50	0		KGAARN
CCCN(CCC)C(=O)c1cn(CCC)nc1S(=O)(=O)N1CCN(c2ccccc2OCC)CC1	ZINC000067337007	554530765	/nfs/dbraw/zinc/53/07/65/554530765.db2.gz	KOHJFFVNBRYRHV-UHFFFAOYSA-N	0	0	505.685	3.465	50	0		KGAARN
CCCCN(CC)C(=O)c1cn(CCC)nc1S(=O)(=O)N1CCN(c2ccccc2OCC)CC1	ZINC000067337010	554530667	/nfs/dbraw/zinc/53/06/67/554530667.db2.gz	ZRNFRBMBYDOINB-UHFFFAOYSA-N	0	0	505.685	3.465	50	0		KGAARN
CCCn1cc(C(=O)N(C)Cc2ccccc2)c(S(=O)(=O)N2CCN(c3ccccc3OCC)CC2)n1	ZINC000067337016	554530745	/nfs/dbraw/zinc/53/07/45/554530745.db2.gz	HMZLJUYHUNZSTC-UHFFFAOYSA-N	0	0	525.675	3.475	50	0		KGAARN
CCCn1cc(C(=O)N2CCC(C)CC2)c(S(=O)(=O)N2CCN(c3ccccc3OCC)CC2)n1	ZINC000067337029	554530756	/nfs/dbraw/zinc/53/07/56/554530756.db2.gz	SCCXQZRAAQJUNG-UHFFFAOYSA-N	0	0	503.669	3.075	50	0		KGAARN
CCCn1cc(C(=O)N2CCCCCC2)c(S(=O)(=O)N2CCN(c3ccccc3OCC)CC2)n1	ZINC000067337036	554530671	/nfs/dbraw/zinc/53/06/71/554530671.db2.gz	SYHVESNQPAATAB-UHFFFAOYSA-N	0	0	503.669	3.219	50	0		KGAARN
CCN(Cc1ccccc1)C(=O)c1cn(C)nc1S(=O)(=O)N1CCN(c2ccccc2Cl)CC1	ZINC000067337114	554530794	/nfs/dbraw/zinc/53/07/94/554530794.db2.gz	AQAAJLWAVAOEHD-UHFFFAOYSA-N	0	0	502.040	3.247	50	0		KGAARN
CCn1cc(C(=O)N(C)Cc2ccccc2)c(S(=O)(=O)N2CCN(c3ccccc3Cl)CC2)n1	ZINC000067337255	554530988	/nfs/dbraw/zinc/53/09/88/554530988.db2.gz	HWYTUSUWRCHKJU-UHFFFAOYSA-N	0	0	502.040	3.340	50	0		KGAARN
CCn1cc(C(=O)N2CCc3ccccc3C2)c(S(=O)(=O)N2CCN(c3ccccc3Cl)CC2)n1	ZINC000067337279	554531021	/nfs/dbraw/zinc/53/10/21/554531021.db2.gz	NQTLHEGPXVMPJE-UHFFFAOYSA-N	0	0	514.051	3.266	50	0		KGAARN
CCCCN1CCN(C(=O)c2cn(CCC)nc2S(=O)(=O)N2CCN(c3ccccc3Cl)CC2)CC1	ZINC000067337396	554531084	/nfs/dbraw/zinc/53/10/84/554531084.db2.gz	WNHLGXYUHMDLPT-UHFFFAOYSA-N	0	0	537.130	3.015	50	0		KGAARN
CCn1cc(C(=O)N2CCc3ccccc3C2)c(S(=O)(=O)N2CCN(c3cccc(Cl)c3)CC2)n1	ZINC000067337536	554531244	/nfs/dbraw/zinc/53/12/44/554531244.db2.gz	UFUUFLWYTRHFCE-UHFFFAOYSA-N	0	0	514.051	3.266	50	0		KGAARN
CCCCN1CCN(C(=O)c2cn(CCC)nc2S(=O)(=O)N2CCN(c3cccc(Cl)c3)CC2)CC1	ZINC000067337653	554531547	/nfs/dbraw/zinc/53/15/47/554531547.db2.gz	WSJIWHNKBUNSRV-UHFFFAOYSA-N	0	0	537.130	3.015	50	0		KGAARN
CCN(Cc1ccccc1)C(=O)c1cn(C)nc1S(=O)(=O)N1CCN(c2ccc(Cl)cc2)CC1	ZINC000067337692	554531510	/nfs/dbraw/zinc/53/15/10/554531510.db2.gz	LMLZGWHDUPMGPW-UHFFFAOYSA-N	0	0	502.040	3.247	50	0		KGAARN
CCCCN1CCN(C(=O)c2cn(CCC)nc2S(=O)(=O)N2CCN(c3ccc(Cl)cc3)CC2)CC1	ZINC000067337863	554531884	/nfs/dbraw/zinc/53/18/84/554531884.db2.gz	DGMUVGZYRMLIEG-UHFFFAOYSA-N	0	0	537.130	3.015	50	0		KGAARN
Cc1ccc(Cl)cc1N1CCN(S(=O)(=O)c2nn(C)cc2C(=O)N(C)Cc2ccccc2)CC1	ZINC000067337897	554532012	/nfs/dbraw/zinc/53/20/12/554532012.db2.gz	LLIVGRZPSBMWJX-UHFFFAOYSA-N	0	0	502.040	3.165	50	0		KGAARN
Cc1ccc(Cl)cc1N1CCN(S(=O)(=O)c2nn(C)cc2C(=O)N2CCc3ccccc3C2)CC1	ZINC000067337922	554532006	/nfs/dbraw/zinc/53/20/06/554532006.db2.gz	VIQXJPROKJKKCU-UHFFFAOYSA-N	0	0	514.051	3.091	50	0		KGAARN
COc1ccc(NC(=O)c2cn(C)nc2S(=O)(=O)N2CCN(c3cccc(C)c3C)CC2)cc1Cl	ZINC000067338195	554532183	/nfs/dbraw/zinc/53/21/83/554532183.db2.gz	BTFVFOIVZVGWPC-UHFFFAOYSA-N	0	0	518.039	3.462	50	0		KGAARN
CCn1cc(C(=O)Nc2ccc(OC)c(OC)c2)c(S(=O)(=O)N2CCN(c3cccc(C)c3C)CC2)n1	ZINC000067338251	554532158	/nfs/dbraw/zinc/53/21/58/554532158.db2.gz	DZRZNOHHYWTNER-UHFFFAOYSA-N	0	0	527.647	3.300	50	0		KGAARN
CCn1cc(C(=O)Nc2cc(OC)cc(OC)c2)c(S(=O)(=O)N2CCN(c3cccc(C)c3C)CC2)n1	ZINC000067338252	554532147	/nfs/dbraw/zinc/53/21/47/554532147.db2.gz	KOLOKCIOYSDJDQ-UHFFFAOYSA-N	0	0	527.647	3.300	50	0		KGAARN
CCn1cc(C(=O)Nc2ccc(N(C)C)cc2)c(S(=O)(=O)N2CCN(c3cccc(C)c3C)CC2)n1	ZINC000067338260	554532132	/nfs/dbraw/zinc/53/21/32/554532132.db2.gz	VHGPDXARWUXWAJ-UHFFFAOYSA-N	0	0	510.664	3.349	50	0		KGAARN
CCn1cc(C(=O)Nc2ccc3c(c2)OCO3)c(S(=O)(=O)N2CCN(c3cccc(C)c3C)CC2)n1	ZINC000067338261	554532180	/nfs/dbraw/zinc/53/21/80/554532180.db2.gz	KJQOENSZVYKICB-UHFFFAOYSA-N	0	0	511.604	3.012	50	0		KGAARN
CCn1cc(C(=O)Nc2ccc3c(c2)OCCO3)c(S(=O)(=O)N2CCN(c3cccc(C)c3C)CC2)n1	ZINC000067338264	554532213	/nfs/dbraw/zinc/53/22/13/554532213.db2.gz	SMCGOTZJOCISIT-UHFFFAOYSA-N	0	0	525.631	3.054	50	0		KGAARN
CCn1cc(C(=O)Nc2cccc(C(=O)OC)c2)c(S(=O)(=O)N2CCN(c3cccc(C)c3C)CC2)n1	ZINC000067338274	554532193	/nfs/dbraw/zinc/53/21/93/554532193.db2.gz	JXXIVPFZUHWPCT-UHFFFAOYSA-N	0	0	525.631	3.070	50	0		KGAARN
CCn1cc(C(=O)Nc2ccc(C(=O)OC)cc2)c(S(=O)(=O)N2CCN(c3cccc(C)c3C)CC2)n1	ZINC000067338279	554532163	/nfs/dbraw/zinc/53/21/63/554532163.db2.gz	VOLBHICTHKXMCP-UHFFFAOYSA-N	0	0	525.631	3.070	50	0		KGAARN
CCn1cc(C(=O)N2CCc3ccccc3C2)c(S(=O)(=O)N2CCN(c3cccc(C)c3C)CC2)n1	ZINC000067338342	554532517	/nfs/dbraw/zinc/53/25/17/554532517.db2.gz	ZRMLJEZVKSCBLU-UHFFFAOYSA-N	0	0	507.660	3.229	50	0		KGAARN
CCOc1ccccc1CNC(=O)c1cn(CC)nc1S(=O)(=O)N1CCN(c2cccc(C)c2C)CC1	ZINC000067338522	554532435	/nfs/dbraw/zinc/53/24/35/554532435.db2.gz	NQKKBYALIDENIH-UHFFFAOYSA-N	0	0	525.675	3.359	50	0		KGAARN
CCOc1cccc(CNC(=O)c2cn(CC)nc2S(=O)(=O)N2CCN(c3cccc(C)c3C)CC2)c1	ZINC000067338525	554532514	/nfs/dbraw/zinc/53/25/14/554532514.db2.gz	BHGCYAYIIOEKIJ-UHFFFAOYSA-N	0	0	525.675	3.359	50	0		KGAARN
CCOc1ccc(CNC(=O)c2cn(CC)nc2S(=O)(=O)N2CCN(c3cccc(C)c3C)CC2)cc1	ZINC000067338526	554532760	/nfs/dbraw/zinc/53/27/60/554532760.db2.gz	FZXLKVDUOUZYGL-UHFFFAOYSA-N	0	0	525.675	3.359	50	0		KGAARN
CCn1cc(C(=O)NCc2ccc(F)cc2F)c(S(=O)(=O)N2CCN(c3cccc(C)c3C)CC2)n1	ZINC000067338541	554532726	/nfs/dbraw/zinc/53/27/26/554532726.db2.gz	XEYNGJBRTYNCRA-UHFFFAOYSA-N	0	0	517.602	3.239	50	0		KGAARN
CCn1cc(C(=O)NCc2cc(F)cc(F)c2)c(S(=O)(=O)N2CCN(c3cccc(C)c3C)CC2)n1	ZINC000067338544	554532710	/nfs/dbraw/zinc/53/27/10/554532710.db2.gz	SZLHCHVZISMFSY-UHFFFAOYSA-N	0	0	517.602	3.239	50	0		KGAARN
CCn1cc(C(=O)NCCc2cccs2)c(S(=O)(=O)N2CCN(c3cccc(C)c3C)CC2)n1	ZINC000067338567	554532702	/nfs/dbraw/zinc/53/27/02/554532702.db2.gz	JGKHZVIAVWLJFC-UHFFFAOYSA-N	0	0	501.678	3.065	50	0		KGAARN
CCn1cc(C(=O)NCCCc2ccccc2)c(S(=O)(=O)N2CCN(c3cccc(C)c3C)CC2)n1	ZINC000067338569	554532712	/nfs/dbraw/zinc/53/27/12/554532712.db2.gz	QADODAUBRNQSKC-UHFFFAOYSA-N	0	0	509.676	3.393	50	0		KGAARN
CCOC(=O)C1=C(COCCNC(=O)c2ccccc2C(=O)NC)NC(C)=C(C(=O)OC)[C@@H]1c1ccccc1Cl	ZINC000067664834	554532753	/nfs/dbraw/zinc/53/27/53/554532753.db2.gz	SNNCONCKJDOFKX-DEOSSOPVSA-N	0	0	570.042	3.097	50	0	in-vitro	KGAARN
CCOC(=O)C1=C(COCCNC(=O)c2ccccc2C(=O)NC)NC(C)=C(C(=O)OC)[C@H]1c1ccccc1Cl	ZINC000067664836	554532750	/nfs/dbraw/zinc/53/27/50/554532750.db2.gz	SNNCONCKJDOFKX-XMMPIXPASA-N	0	0	570.042	3.097	50	0	in-vitro	KGAARN
CC(C)(CO)c1cc2cc(NC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)c(F)cc2n1C[C@@H](O)CO	ZINC000068206930	554538446	/nfs/dbraw/zinc/53/84/46/554538446.db2.gz	MJUVRTYWUMPBTR-MRXNPFEDSA-N	0	0	520.504	3.395	50	0	world	KGAARN
CCOC(=O)COCCOc1cc(Br)c(Br)cc1OCCOCC(=O)OCC	ZINC000068600210	553592393	/nfs/dbraw/zinc/59/23/93/553592393.db2.gz	HSLUUZZXJSQKSW-UHFFFAOYSA-N	0	0	528.190	3.129	50	0		KGAARN
COc1ccc(OC)c(C(=O)CSc2nc3c(c(=O)n(C)c(=O)n3C)n2CCCc2ccccc2)c1	ZINC000069382886	553593181	/nfs/dbraw/zinc/59/31/81/553593181.db2.gz	DJZVUCWUNZBYHD-UHFFFAOYSA-N	0	0	508.600	3.059	50	0		KGAARN
Cc1ccccc1N1C(SCCS(C)(=O)=O)=NN(CCS(C)(=O)=O)/C1=C1\C=Nc2ccccc21	ZINC000069700811	553593585	/nfs/dbraw/zinc/59/35/85/553593585.db2.gz	ZMTQSDLRNKWFBX-QOCHGBHMSA-N	0	0	518.686	3.295	50	0		KGAARN
Cc1cnn(CCN(CCCS(=O)(=O)c2ccc(F)cc2)CCCS(=O)(=O)c2ccc(F)cc2)c1	ZINC000070008397	553593641	/nfs/dbraw/zinc/59/36/41/553593641.db2.gz	KRESFPDDNTWTEK-UHFFFAOYSA-N	0	0	525.643	3.500	50	0		KGAARN
CO[C@@H]1O[C@H](COC(=O)c2ccccc2)[C@@H](O)[C@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1	ZINC000070664733	553594990	/nfs/dbraw/zinc/59/49/90/553594990.db2.gz	WXFFEILSURAFKL-SHHGKLNCSA-N	0	0	506.507	3.027	50	0	biogenic	KGAARN
O=C(OC[C@H]1O[C@@H](n2ncc(Cl)nc2=O)[C@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1)c1ccccc1	ZINC000070665175	553595805	/nfs/dbraw/zinc/59/58/05/553595805.db2.gz	FSALUYDNLZJSHA-WJNCPCKPSA-N	0	0	575.961	3.497	50	0	biogenic	KGAARN
CC1(C)OC[C@@H]([C@H]2O[C@H]3OC(C)(C)O[C@@H]3[C@H]2OC(=O)[C@@H](Cc2ccccc2)NC(=O)OCc2ccccc2)O1	ZINC000070665458	553596307	/nfs/dbraw/zinc/59/63/07/553596307.db2.gz	MIJMDMUBCDQQSU-GXBHVYDZSA-N	0	0	541.597	3.464	50	0	biogenic	KGAARN
CC1(C)OC[C@@H]([C@H]2O[C@H]3OC(C)(C)O[C@@H]3[C@@H]2OC(=O)[C@@H](Cc2ccccc2)NC(=O)OCc2ccccc2)O1	ZINC000070665462	553596340	/nfs/dbraw/zinc/59/63/40/553596340.db2.gz	MIJMDMUBCDQQSU-NSJFTEMYSA-N	0	0	541.597	3.464	50	0	biogenic	KGAARN
CC1(C)OC[C@@H]([C@H]2O[C@H]3OC(C)(C)O[C@H]3[C@H]2OC(=O)[C@@H](Cc2ccccc2)NC(=O)OCc2ccccc2)O1	ZINC000070665465	553596303	/nfs/dbraw/zinc/59/63/03/553596303.db2.gz	MIJMDMUBCDQQSU-RGQLOILYSA-N	0	0	541.597	3.464	50	0	biogenic	KGAARN
CC1(C)OC[C@@H]([C@H]2O[C@H]3OC(C)(C)O[C@H]3[C@@H]2OC(=O)[C@@H](Cc2ccccc2)NC(=O)OCc2ccccc2)O1	ZINC000070665468	553596335	/nfs/dbraw/zinc/59/63/35/553596335.db2.gz	MIJMDMUBCDQQSU-MWHNCMRYSA-N	0	0	541.597	3.464	50	0	biogenic	KGAARN
CC(=O)N[C@H](CC(=O)OCc1ccccc1)C(=O)N[C@H](CCC(=O)OCc1ccccc1)C(=O)OCc1ccccc1	ZINC000070665490	553596235	/nfs/dbraw/zinc/59/62/35/553596235.db2.gz	GHYGFOPFBFIDQZ-VSGBNLITSA-N	0	0	574.630	3.376	50	0	biogenic	KGAARN
CC(C)C[C@H](NC(=O)[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)NC(=O)COc1ccccc1)C(=O)OC(C)(C)C	ZINC000070665763	553596854	/nfs/dbraw/zinc/59/68/54/553596854.db2.gz	RTQRKQRIFDCLKZ-SDUSCBPUSA-N	0	0	539.673	3.170	50	0	biogenic	KGAARN
CO[C@H]1O[C@H](COC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@H](O)[C@@H]1OC(=O)c1ccccc1	ZINC000070665844	553597207	/nfs/dbraw/zinc/59/72/07/553597207.db2.gz	FAZUIGXOWOIOEH-HOZMCVABSA-N	0	0	506.507	3.027	50	0	biogenic	KGAARN
COc1cc2c(cc1OC)CN(Cc1cc(=O)c(OCC(=O)Nc3cc(OC)c(OC)c(OC)c3)co1)CC2	ZINC000070666109	553597989	/nfs/dbraw/zinc/59/79/89/553597989.db2.gz	STLOPBBNJAXNLR-UHFFFAOYSA-N	0	0	540.569	3.259	50	0	biogenic	KGAARN
COc1cc2c(cc1OC)CN(Cc1cc(=O)c(OCC(=O)N3CCc4cc(OC)c(OC)cc4C3)co1)CC2	ZINC000070666111	553598058	/nfs/dbraw/zinc/59/80/58/553598058.db2.gz	XSDGBIOZLFLVET-UHFFFAOYSA-N	0	0	550.608	3.196	50	0	biogenic	KGAARN
CCCCCCOc1ccc(O[C@@H]2O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)cc1	ZINC000070669772	553598581	/nfs/dbraw/zinc/59/85/81/553598581.db2.gz	SAIBZJRVPYUMMD-RSFKBIFASA-N	0	0	524.563	3.108	50	0	biogenic	KGAARN
CCc1ccc(N2C(=O)[N-]C(=O)[C@](Cc3ccc4c(c3)OCO4)(C[N@@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)C2=O)cc1	ZINC000070669776	553598548	/nfs/dbraw/zinc/59/85/48/553598548.db2.gz	HILTXDFKPYQKMP-MODXFSQWSA-N	0	0	568.630	3.071	50	0	biogenic	KGAARN
CCc1ccc(N2C(=O)[N-]C(=O)[C@@](Cc3ccc4c(c3)OCO4)(C[N@@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)C2=O)cc1	ZINC000070669777	553598607	/nfs/dbraw/zinc/59/86/07/553598607.db2.gz	HILTXDFKPYQKMP-MEYXWREJSA-N	0	0	568.630	3.071	50	0	biogenic	KGAARN
CCOc1ccc(C[C@]2(C[N@@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc1	ZINC000070669794	553598892	/nfs/dbraw/zinc/59/88/92/553598892.db2.gz	HHGLGWBDWWOZDR-UDKTZTBJSA-N	0	0	540.620	3.178	50	0	biogenic	KGAARN
CCOc1ccc(C[C@@]2(C[N@@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc1	ZINC000070669795	553598907	/nfs/dbraw/zinc/59/89/07/553598907.db2.gz	HHGLGWBDWWOZDR-IKBQMQIHSA-N	0	0	540.620	3.178	50	0	biogenic	KGAARN
CCc1ccc(N2C(=O)[N-]C(=O)[C@](Cc3ccc(OC)cc3)(C[N@@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)C2=O)cc1	ZINC000070669800	553598777	/nfs/dbraw/zinc/59/87/77/553598777.db2.gz	AOXXHWWAXWKIAF-FXZPAHAQSA-N	0	0	554.647	3.351	50	0	biogenic	KGAARN
CCc1ccc(N2C(=O)[N-]C(=O)[C@@](Cc3ccc(OC)cc3)(C[N@@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)C2=O)cc1	ZINC000070669801	553598786	/nfs/dbraw/zinc/59/87/86/553598786.db2.gz	AOXXHWWAXWKIAF-MKVNITDJSA-N	0	0	554.647	3.351	50	0	biogenic	KGAARN
CCOc1ccc(N2C(=O)[N-]C(=O)[C@](Cc3ccc(C)cc3)(C[N@H+]3C[C@H]4C[C@H](Cn5c(=O)cccc54)C3)C2=O)cc1	ZINC000070670136	553600339	/nfs/dbraw/zinc/60/03/39/553600339.db2.gz	STOQBZCABIRZJT-XNSHOJTPSA-N	0	0	554.647	3.487	50	0	biogenic	KGAARN
CCOc1ccc(N2C(=O)[N-]C(=O)[C@@](Cc3ccc(C)cc3)(C[N@H+]3C[C@H]4C[C@H](Cn5c(=O)cccc54)C3)C2=O)cc1	ZINC000070670137	553600307	/nfs/dbraw/zinc/60/03/07/553600307.db2.gz	STOQBZCABIRZJT-JOUUIMRQSA-N	0	0	554.647	3.487	50	0	biogenic	KGAARN
COc1ccc(C[C@]2(C[N@@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc1	ZINC000070671714	553601358	/nfs/dbraw/zinc/60/13/58/553601358.db2.gz	QKRFQDXAJJWWGQ-QPPRZBLKSA-N	0	0	561.038	3.442	50	0	biogenic	KGAARN
COc1ccc(C[C@@]2(C[N@@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc1	ZINC000070671716	553601513	/nfs/dbraw/zinc/60/15/13/553601513.db2.gz	QKRFQDXAJJWWGQ-PHKGMDLESA-N	0	0	561.038	3.442	50	0	biogenic	KGAARN
CCc1ccc(N2C(=O)[N-]C(=O)[C@](Cc3cc(OC)c(OC)c(OC)c3)(C[N@@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)C2=O)cc1	ZINC000070671981	553601409	/nfs/dbraw/zinc/60/14/09/553601409.db2.gz	HKPSSLPHRDLRJR-YIIHMFSRSA-N	0	0	614.699	3.368	50	0	biogenic	KGAARN
CCc1ccc(N2C(=O)[N-]C(=O)[C@@](Cc3cc(OC)c(OC)c(OC)c3)(C[N@@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)C2=O)cc1	ZINC000070671983	553601346	/nfs/dbraw/zinc/60/13/46/553601346.db2.gz	HKPSSLPHRDLRJR-XFBASLRHSA-N	0	0	614.699	3.368	50	0	biogenic	KGAARN
CCOc1ccccc1N1C(=O)[N-]C(=O)[C@](Cc2ccc(OC)cc2OC)(C[N@@H+]2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)C1=O	ZINC000070671984	553601447	/nfs/dbraw/zinc/60/14/47/553601447.db2.gz	PEVSCFOOQCXDTB-BRGUJNTOSA-N	0	0	600.672	3.195	50	0	biogenic	KGAARN
CCOc1ccccc1N1C(=O)[N-]C(=O)[C@@](Cc2ccc(OC)cc2OC)(C[N@@H+]2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)C1=O	ZINC000070671986	553601497	/nfs/dbraw/zinc/60/14/97/553601497.db2.gz	PEVSCFOOQCXDTB-XUIUQNFFSA-N	0	0	600.672	3.195	50	0	biogenic	KGAARN
CC(=O)OC[C@H]1O[C@@H](Oc2ccc3c(c2)occ(-c2ccccc2F)c3=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000070672306	553602040	/nfs/dbraw/zinc/60/20/40/553602040.db2.gz	ADONGWNEJQZVEA-KRZJEZTLSA-N	0	0	586.521	3.061	50	0	biogenic	KGAARN
COC(=O)Cc1c(C)c2ccc(OCC(=O)N3Cc4[nH]c5ccccc5c4C[C@H]3C(=O)OC)c(C)c2oc1=O	ZINC000070680466	553604300	/nfs/dbraw/zinc/60/43/00/553604300.db2.gz	GVIDCCZGUZAJAP-QHCPKHFHSA-N	0	0	532.549	3.112	50	0	biogenic	KGAARN
COc1ccc(OC)c(NC(=O)[C@H]2[C@H]3C(=O)N(c4ccc5c(c4)OCO5)C(=O)[C@H]3[C@@H]3C=Cc4ccccc4N23)c1	ZINC000070680571	553604354	/nfs/dbraw/zinc/60/43/54/553604354.db2.gz	OUVMHTRJLYGUCD-OAHAWELDSA-N	0	0	539.544	3.461	50	0	biogenic	KGAARN
CSCC[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1)C(=O)NCCc1c[nH]c2ccccc12	ZINC000070680611	553604691	/nfs/dbraw/zinc/60/46/91/553604691.db2.gz	YVWNCHQJIKUGDZ-SANMLTNESA-N	0	0	556.754	3.474	50	0	biogenic	KGAARN
COc1ccc(CNC(=O)[C@@H](NC(=O)C2CCN(C(=O)[C@H](CCSC)NC(=O)OC(C)(C)C)CC2)C(C)C)cc1	ZINC000070680853	553604624	/nfs/dbraw/zinc/60/46/24/553604624.db2.gz	KHSQYUMOSOREJN-ZEQRLZLVSA-N	0	0	578.776	3.337	50	0	biogenic	KGAARN
Cc1ccc(CNC(=O)[C@H](C)NC(=O)C2CCN(C(=O)[C@H](Cc3ccccc3)NC(=O)OC(C)(C)C)CC2)cc1	ZINC000070680864	553604612	/nfs/dbraw/zinc/60/46/12/553604612.db2.gz	VOGOYZBRYAAJMC-NVQXNPDNSA-N	0	0	550.700	3.491	50	0	biogenic	KGAARN
COc1ccccc1CNC(=O)[C@@H](NC(=O)C1CCN(C(=O)[C@H](CCSC)NC(=O)OC(C)(C)C)CC1)C(C)C	ZINC000070680998	553604879	/nfs/dbraw/zinc/60/48/79/553604879.db2.gz	JLPOTACFTSVRAG-UPVQGACJSA-N	0	0	578.776	3.337	50	0	biogenic	KGAARN
CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C(=O)N[C@H](C(=O)NCc2ccccc2F)C(C)C)CC1	ZINC000070686521	553605263	/nfs/dbraw/zinc/60/52/63/553605263.db2.gz	JFVUJPXYNVXDRV-GOTSBHOMSA-N	0	0	566.740	3.468	50	0	biogenic	KGAARN
COc1ccccc1CNC(=O)[C@H](C)NC(=O)C1CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)CC1	ZINC000070686561	553605283	/nfs/dbraw/zinc/60/52/83/553605283.db2.gz	ZFBGOFBGDIBDLJ-OFVILXPXSA-N	0	0	566.699	3.191	50	0	biogenic	KGAARN
COc1ccc(CNC(=O)[C@H](C)NC(=O)C2CCN(C(=O)[C@H](Cc3ccccc3)NC(=O)OC(C)(C)C)CC2)cc1	ZINC000070686574	553605379	/nfs/dbraw/zinc/60/53/79/553605379.db2.gz	YYEQRMIFSLTVNZ-LVXARBLLSA-N	0	0	566.699	3.191	50	0	biogenic	KGAARN
C[C@H](NC(=O)C1CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)CC1)C(=O)NCc1ccc(F)cc1	ZINC000070686723	553605529	/nfs/dbraw/zinc/60/55/29/553605529.db2.gz	KAVYWJSWKCWBQV-CPJSRVTESA-N	0	0	554.663	3.321	50	0	biogenic	KGAARN
CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C(=O)N[C@H](C(=O)NCc2ccc(F)cc2)C(C)C)CC1	ZINC000070686746	553605538	/nfs/dbraw/zinc/60/55/38/553605538.db2.gz	PGTJRFLCKGUKKL-GOTSBHOMSA-N	0	0	566.740	3.468	50	0	biogenic	KGAARN
CC(C)(C)OC(=O)NCC(=O)N1CCC(C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)NC2CCCCC2)CC1	ZINC000070687352	553606704	/nfs/dbraw/zinc/60/67/04/553606704.db2.gz	QTKZLWCQRSBUSZ-VWLOTQADSA-N	0	0	553.704	3.407	50	0	biogenic	KGAARN
COc1ccccc1CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C1CCN(C(=O)CNC(=O)OC(C)(C)C)CC1	ZINC000070687496	553606964	/nfs/dbraw/zinc/60/69/64/553606964.db2.gz	YKVWGAHTMHXRJL-SANMLTNESA-N	0	0	591.709	3.284	50	0	biogenic	KGAARN
COc1ccc(CNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)C2CCN(C(=O)CNC(=O)OC(C)(C)C)CC2)cc1	ZINC000070687610	553606986	/nfs/dbraw/zinc/60/69/86/553606986.db2.gz	OPKXAVVTUYKPCH-MHZLTWQESA-N	0	0	591.709	3.284	50	0	biogenic	KGAARN
COc1ccc(CNC(=O)CNC(=O)C2CCN(C(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)OC(C)(C)C)CC2)cc1	ZINC000070691599	553608154	/nfs/dbraw/zinc/60/81/54/553608154.db2.gz	UPYALEYGPYLSDB-MHZLTWQESA-N	0	0	591.709	3.284	50	0	biogenic	KGAARN
COc1ccc(C)cc1NC(=O)[C@H](C)NC(=O)C1CCN(C(=O)[C@H](CCSC)NC(=O)OC(C)(C)C)CC1	ZINC000070691638	553608125	/nfs/dbraw/zinc/60/81/25/553608125.db2.gz	BSECBMGRTHHNJL-ICSRJNTNSA-N	0	0	550.722	3.332	50	0	biogenic	KGAARN
COc1ccccc1CNC(=O)[C@H](NC(=O)C1CCN(C(=O)[C@H](CCSC)NC(=O)OC(C)(C)C)CC1)C(C)C	ZINC000070691646	553608164	/nfs/dbraw/zinc/60/81/64/553608164.db2.gz	JLPOTACFTSVRAG-LADGPHEKSA-N	0	0	578.776	3.337	50	0	biogenic	KGAARN
COc1ccccc1CNC(=O)CNC(=O)C1CCN(C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)OC(C)(C)C)CC1	ZINC000070691756	553608338	/nfs/dbraw/zinc/60/83/38/553608338.db2.gz	XKKPFQHAHIZUNR-SANMLTNESA-N	0	0	591.709	3.284	50	0	biogenic	KGAARN
COc1ccc(CNC(=O)[C@H](NC(=O)C2CCN(C(=O)[C@H](CCSC)NC(=O)OC(C)(C)C)CC2)C(C)C)cc1	ZINC000070691892	553608610	/nfs/dbraw/zinc/60/86/10/553608610.db2.gz	KHSQYUMOSOREJN-BJKOFHAPSA-N	0	0	578.776	3.337	50	0	biogenic	KGAARN
COc1cc([C@@H]2CN3C(=O)CN(CCN4CCOCC4)C(=O)[C@]3(C)c3[nH]c4ccccc4c32)ccc1OC(C)C	ZINC000070692267	553610647	/nfs/dbraw/zinc/61/06/47/553610647.db2.gz	QPICWSILHSKEHS-FWUCURJTSA-N	0	0	546.668	3.327	50	0	biogenic	KGAARN
COc1cc([C@H]2CN3C(=O)CN(CCN4CCOCC4)C(=O)[C@]3(C)c3[nH]c4ccccc4c32)ccc1OC(C)C	ZINC000070692268	553610664	/nfs/dbraw/zinc/61/06/64/553610664.db2.gz	QPICWSILHSKEHS-IPBJYNAHSA-N	0	0	546.668	3.327	50	0	biogenic	KGAARN
CCOc1c(OC)cccc1[C@@H]1CN2C(=O)CN(CCCN3CCOCC3)C(=O)[C@]2(C)c2[nH]c3ccccc3c21	ZINC000070692386	553611436	/nfs/dbraw/zinc/61/14/36/553611436.db2.gz	IJPQUAHZIRAAQB-FWUCURJTSA-N	0	0	546.668	3.329	50	0	biogenic	KGAARN
CCOc1c(OC)cccc1[C@H]1CN2C(=O)CN(CCCN3CCOCC3)C(=O)[C@]2(C)c2[nH]c3ccccc3c21	ZINC000070692387	553611443	/nfs/dbraw/zinc/61/14/43/553611443.db2.gz	IJPQUAHZIRAAQB-IPBJYNAHSA-N	0	0	546.668	3.329	50	0	biogenic	KGAARN
CCCOc1ccc([C@@H]2CN3C(=O)CN(CCN4CCOCC4)C(=O)[C@]3(C)c3[nH]c4ccccc4c32)cc1OC	ZINC000070692391	553611670	/nfs/dbraw/zinc/61/16/70/553611670.db2.gz	DLRMMOGVTSBCSN-FWUCURJTSA-N	0	0	546.668	3.329	50	0	biogenic	KGAARN
CCCOc1ccc([C@H]2CN3C(=O)CN(CCN4CCOCC4)C(=O)[C@]3(C)c3[nH]c4ccccc4c32)cc1OC	ZINC000070692392	553611708	/nfs/dbraw/zinc/61/17/08/553611708.db2.gz	DLRMMOGVTSBCSN-IPBJYNAHSA-N	0	0	546.668	3.329	50	0	biogenic	KGAARN
C[C@@]12c3[nH]c4ccccc4c3[C@H](c3ccc(Br)cc3)CN1C(=O)CN(CCN1CCOCC1)C2=O	ZINC000070696850	553611710	/nfs/dbraw/zinc/61/17/10/553611710.db2.gz	PNYCUUVOINHGDX-IDISGSTGSA-N	0	0	537.458	3.294	50	0	biogenic	KGAARN
C[C@@]12c3[nH]c4ccccc4c3[C@@H](c3ccc(Br)cc3)CN1C(=O)CN(CCN1CCOCC1)C2=O	ZINC000070696852	553611689	/nfs/dbraw/zinc/61/16/89/553611689.db2.gz	PNYCUUVOINHGDX-ZBLYBZFDSA-N	0	0	537.458	3.294	50	0	biogenic	KGAARN
COc1ccc(CCN2C(=O)NC(=O)[C@]3(Cc4ccccc4N4CCN(c5ccccc5)C[C@@H]43)C2=O)cc1OC	ZINC000070697484	553612785	/nfs/dbraw/zinc/61/27/85/553612785.db2.gz	OZPJELXQAXGZCQ-DLFZDVPBSA-N	0	0	540.620	3.263	50	0	biogenic	KGAARN
COc1ccc(CCN2C(=O)NC(=O)[C@@]3(Cc4ccccc4N4CCN(c5ccccc5)C[C@@H]43)C2=O)cc1OC	ZINC000070697489	553612837	/nfs/dbraw/zinc/61/28/37/553612837.db2.gz	OZPJELXQAXGZCQ-JOMNFKBKSA-N	0	0	540.620	3.263	50	0	biogenic	KGAARN
COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CN1CC[C@@]2(O)CCCC[C@H]2[C@@H]1c1ccc2c(c1)OCO2	ZINC000070700799	553619374	/nfs/dbraw/zinc/61/93/74/553619374.db2.gz	HIHNMCOMSIMZIS-PGJMPONKSA-N	0	0	533.625	3.465	50	0	biogenic	KGAARN
COc1cc2c(c(OC)c1OC)-c1ccc(NCCc3ccc(S(N)(=O)=O)cc3)c(=O)cc1[C@@H](NC(C)=O)CC2	ZINC000070700903	553619954	/nfs/dbraw/zinc/61/99/54/553619954.db2.gz	CZKDJTSDGKXBAP-QHCPKHFHSA-N	0	0	567.664	3.165	50	0	biogenic	KGAARN
C[C@H](NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@@H]2c3ccccc3C(=O)N21)C(=O)NCc1ccc2c(c1)OCO2	ZINC000070701601	553622488	/nfs/dbraw/zinc/62/24/88/553622488.db2.gz	WGQJDHGVFDLOAU-DIJZJMTMSA-N	0	0	522.561	3.188	50	0	biogenic	KGAARN
COc1ccc(CNC(=O)[C@H](C)NC(=O)[C@@H]2Cc3c4ccccc4[nH]c3[C@H]3c4ccccc4C(=O)N32)cc1OC	ZINC000070704404	553622702	/nfs/dbraw/zinc/62/27/02/553622702.db2.gz	IELHDFYIBCSKNT-DGBBAZJCSA-N	0	0	538.604	3.476	50	0	biogenic	KGAARN
COc1ccc(CNC(=O)[C@H](C)NC(=O)[C@@H]2Cc3c4ccccc4[nH]c3[C@@H]3c4ccccc4C(=O)N32)cc1OC	ZINC000070704407	553622754	/nfs/dbraw/zinc/62/27/54/553622754.db2.gz	IELHDFYIBCSKNT-WIBZXERCSA-N	0	0	538.604	3.476	50	0	biogenic	KGAARN
COc1cc2c(c(OC)c1OC)-c1ccc(NC(=O)CN3C(=O)c4ccccc4C3=O)c(=O)cc1[C@@H](NC(C)=O)CC2	ZINC000070705108	553624571	/nfs/dbraw/zinc/62/45/71/553624571.db2.gz	LNGZCPDFDMUMMP-QFIPXVFZSA-N	0	0	571.586	3.098	50	0	biogenic	KGAARN
COCCNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@@H]2c3ccccc3C(=O)N21	ZINC000070706419	553628021	/nfs/dbraw/zinc/62/80/21/553628021.db2.gz	ABHBZGBIYXUPCY-NSVAZKTRSA-N	0	0	522.605	3.128	50	0	biogenic	KGAARN
Cc1ccc(N(C(=O)[C@@H]2N3C(=O)C[C@@H]3S(=O)(=O)C2(C)C)[C@H](C(=O)NC2CCCCC2)c2ccc(O)cc2)cc1	ZINC000070707701	553631515	/nfs/dbraw/zinc/63/15/15/553631515.db2.gz	FHUWNMHGDNWYME-GSDHBNRESA-N	0	0	553.681	3.358	50	0	biogenic	KGAARN
Cc1ccc(N(C(=O)[C@@H]2N3C(=O)C[C@@H]3S(=O)(=O)C2(C)C)[C@@H](C(=O)NC2CCCCC2)c2ccc(O)cc2)cc1	ZINC000070707706	553631455	/nfs/dbraw/zinc/63/14/55/553631455.db2.gz	FHUWNMHGDNWYME-NXCFDTQHSA-N	0	0	553.681	3.358	50	0	biogenic	KGAARN
CC(C)[C@@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]1N2C(=O)c3ccccc3[C@@H]2SC1(C)C	ZINC000070707786	553631759	/nfs/dbraw/zinc/63/17/59/553631759.db2.gz	GNFSXCKJFKXYTD-KVOKEACQSA-N	0	0	534.682	3.377	50	0	biogenic	KGAARN
CC(C)[C@@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]1N2C(=O)c3ccccc3[C@H]2SC1(C)C	ZINC000070707788	553631749	/nfs/dbraw/zinc/63/17/49/553631749.db2.gz	GNFSXCKJFKXYTD-GOIZPCHYSA-N	0	0	534.682	3.377	50	0	biogenic	KGAARN
CCCCCCn1c2ccccc2nc1S[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1NC(C)=O	ZINC000070712100	553633086	/nfs/dbraw/zinc/63/30/86/553633086.db2.gz	YDYVPGKSISKRBH-SDVOOXDOSA-N	0	0	563.673	3.365	50	0	biogenic	KGAARN
CC(=O)N[C@@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](COC(C)=O)O[C@H]1Sc1nnc(-c2ccccc2Cl)n1-c1ccccc1	ZINC000070712128	553633025	/nfs/dbraw/zinc/63/30/25/553633025.db2.gz	HQRSLVNTRYJBFA-CMSSPHMHSA-N	0	0	617.080	3.336	50	0	biogenic	KGAARN
CC(=O)N[C@@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](COC(C)=O)O[C@H]1Sc1nc2ccccc2n1CCCOc1ccccc1	ZINC000070712145	553633093	/nfs/dbraw/zinc/63/30/93/553633093.db2.gz	ZYWSZCZOSWRDMM-JPHCZMGXSA-N	0	0	613.689	3.254	50	0	biogenic	KGAARN
CCCCCn1c(COc2ccc(C)cc2)nnc1S[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1NC(C)=O	ZINC000070712187	553633493	/nfs/dbraw/zinc/63/34/93/553633493.db2.gz	IDHMNZSPRJRTPO-LZEBPPIWSA-N	0	0	620.725	3.104	50	0	biogenic	KGAARN
CC(=O)Oc1ccc(N2C(=O)[C@H]3[C@@H](C(C)C)N[C@@]4(c5ccccc5-n5c4nc4ccccc4c5=O)[C@H]3C2=O)cc1	ZINC000070712203	553633474	/nfs/dbraw/zinc/63/34/74/553633474.db2.gz	RVSUYFSVLQGCKJ-KUXNCQQFSA-N	0	0	534.572	3.302	50	0	biogenic	KGAARN
CC(=O)Oc1ccc(N2C(=O)[C@H]3[C@H](C(C)C)N[C@@]4(c5ccccc5-n5c4nc4ccccc4c5=O)[C@H]3C2=O)cc1	ZINC000070712204	553633375	/nfs/dbraw/zinc/63/33/75/553633375.db2.gz	RVSUYFSVLQGCKJ-PCEYSVKOSA-N	0	0	534.572	3.302	50	0	biogenic	KGAARN
CC(=O)Oc1ccc(N2C(=O)[C@H]3[C@@H](C(C)C)N[C@]4(c5ccccc5-n5c4nc4ccccc4c5=O)[C@H]3C2=O)cc1	ZINC000070712206	553633467	/nfs/dbraw/zinc/63/34/67/553633467.db2.gz	RVSUYFSVLQGCKJ-YSRRZRNESA-N	0	0	534.572	3.302	50	0	biogenic	KGAARN
CC(=O)Oc1ccc(N2C(=O)[C@H]3[C@H](C(C)C)N[C@]4(c5ccccc5-n5c4nc4ccccc4c5=O)[C@H]3C2=O)cc1	ZINC000070712208	553633526	/nfs/dbraw/zinc/63/35/26/553633526.db2.gz	RVSUYFSVLQGCKJ-ZGQJUUMOSA-N	0	0	534.572	3.302	50	0	biogenic	KGAARN
CC(=O)N[C@@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](COC(C)=O)O[C@H]1Sc1nc2ccccc2n1Cc1ccc(Cl)cc1	ZINC000070712212	553633452	/nfs/dbraw/zinc/63/34/52/553633452.db2.gz	QLRNPLXNBHUTBN-ACFIUOAZSA-N	0	0	604.081	3.486	50	0	biogenic	KGAARN
CC(=O)N[C@@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](COC(C)=O)O[C@H]1Sc1nnc(COc2ccc(C)cc2)n1C1CCCC1	ZINC000070712214	553633446	/nfs/dbraw/zinc/63/34/46/553633446.db2.gz	DAXZWJMEKUNRCD-LZEBPPIWSA-N	0	0	618.709	3.029	50	0	biogenic	KGAARN
CCCCCn1c(COc2ccccc2C)nnc1S[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1NC(C)=O	ZINC000070712224	553633610	/nfs/dbraw/zinc/63/36/10/553633610.db2.gz	KSTCYVLCPQMALH-LZEBPPIWSA-N	0	0	620.725	3.104	50	0	biogenic	KGAARN
CC(=O)N[C@@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](COC(C)=O)O[C@H]1Sc1nnc(COc2cccc(C)c2)n1C1CCCC1	ZINC000070712237	553633653	/nfs/dbraw/zinc/63/36/53/553633653.db2.gz	QQQQPUYNMIJWOA-LZEBPPIWSA-N	0	0	618.709	3.029	50	0	biogenic	KGAARN
CC(=O)N[C@@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](COC(C)=O)O[C@H]1Sc1nnc(COc2ccccc2C)n1C1CCCC1	ZINC000070712244	553633718	/nfs/dbraw/zinc/63/37/18/553633718.db2.gz	MTORMZIRSIPPMN-LZEBPPIWSA-N	0	0	618.709	3.029	50	0	biogenic	KGAARN
CCCCCn1c(COc2cccc(C)c2)nnc1S[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1NC(C)=O	ZINC000070712293	553634013	/nfs/dbraw/zinc/63/40/13/553634013.db2.gz	JWCGRMXRLGISSZ-LZEBPPIWSA-N	0	0	620.725	3.104	50	0	biogenic	KGAARN
CC(=O)Nc1ccc(N2C(=O)[C@H]3[C@@H](C(C)C)N[C@@]4(c5ccccc5-n5c4nc4ccccc4c5=O)[C@H]3C2=O)cc1	ZINC000070712384	553634185	/nfs/dbraw/zinc/63/41/85/553634185.db2.gz	WYUAOZWPLYOBBN-KUXNCQQFSA-N	0	0	533.588	3.335	50	0	biogenic	KGAARN
CC(=O)Nc1ccc(N2C(=O)[C@H]3[C@H](C(C)C)N[C@@]4(c5ccccc5-n5c4nc4ccccc4c5=O)[C@H]3C2=O)cc1	ZINC000070712386	553634193	/nfs/dbraw/zinc/63/41/93/553634193.db2.gz	WYUAOZWPLYOBBN-PCEYSVKOSA-N	0	0	533.588	3.335	50	0	biogenic	KGAARN
CC(=O)Nc1ccc(N2C(=O)[C@H]3[C@@H](C(C)C)N[C@]4(c5ccccc5-n5c4nc4ccccc4c5=O)[C@H]3C2=O)cc1	ZINC000070712388	553634241	/nfs/dbraw/zinc/63/42/41/553634241.db2.gz	WYUAOZWPLYOBBN-YSRRZRNESA-N	0	0	533.588	3.335	50	0	biogenic	KGAARN
CC(=O)Nc1ccc(N2C(=O)[C@H]3[C@H](C(C)C)N[C@]4(c5ccccc5-n5c4nc4ccccc4c5=O)[C@H]3C2=O)cc1	ZINC000070712390	553634358	/nfs/dbraw/zinc/63/43/58/553634358.db2.gz	WYUAOZWPLYOBBN-ZGQJUUMOSA-N	0	0	533.588	3.335	50	0	biogenic	KGAARN
COc1ccccc1N(C[C@@H](O)CN1CCN(c2ccccc2OC)CC1)S(=O)(=O)c1ccccc1	ZINC000071279174	553634667	/nfs/dbraw/zinc/63/46/67/553634667.db2.gz	PIZIWNRDGLBPOT-QFIPXVFZSA-N	0	0	511.644	3.082	50	0		KGAARN
COc1ccccc1N(C[C@H](O)CN1CCN(c2ccccc2OC)CC1)S(=O)(=O)c1ccccc1	ZINC000071279175	553634614	/nfs/dbraw/zinc/63/46/14/553634614.db2.gz	PIZIWNRDGLBPOT-JOCHJYFZSA-N	0	0	511.644	3.082	50	0		KGAARN
O=C(CN1N=C(c2nc(-c3ccccc3)no2)CCC1=O)Nc1ccc(I)cc1	ZINC000071328311	553634947	/nfs/dbraw/zinc/63/49/47/553634947.db2.gz	QGRUVCJLXQBFAK-UHFFFAOYSA-N	0	0	501.284	3.306	50	0		KGAARN
CCOc1ccc(OCC)c(NC(=O)CN2N=C(c3nc(-c4ccc5c(c4)OCO5)no3)CCC2=O)c1	ZINC000071328399	553635037	/nfs/dbraw/zinc/63/50/37/553635037.db2.gz	BORAFEISSNIFII-UHFFFAOYSA-N	0	0	507.503	3.228	50	0		KGAARN
CCCCOC(=O)c1ccc(NC(=O)CN2N=C(c3nc(-c4ccc5c(c4)OCO5)no3)CCC2=O)cc1	ZINC000071328416	553634924	/nfs/dbraw/zinc/63/49/24/553634924.db2.gz	ZZEHYLAUBDBJTD-UHFFFAOYSA-N	0	0	519.514	3.387	50	0		KGAARN
O=C(CN1N=C(c2nc(-c3ccc4c(c3)OCO4)no2)CCC1=O)Nc1cccc(OC(F)(F)F)c1	ZINC000071328437	553635329	/nfs/dbraw/zinc/63/53/29/553635329.db2.gz	XXFIAZLGPJYNQW-UHFFFAOYSA-N	0	0	503.393	3.329	50	0		KGAARN
O=C(CN1N=C(c2nc(-c3ccc4c(c3)OCO4)no2)CCC1=O)Nc1ccc(OC(F)(F)F)cc1	ZINC000071328438	553635381	/nfs/dbraw/zinc/63/53/81/553635381.db2.gz	ZBBRVVNKRAZHMZ-UHFFFAOYSA-N	0	0	503.393	3.329	50	0		KGAARN
O=C(CCCCCn1c(=O)c2sccc2n(Cc2cc(=O)n3ccccc3n2)c1=O)Nc1ccccc1	ZINC000071328622	553635292	/nfs/dbraw/zinc/63/52/92/553635292.db2.gz	GYRLXICWIQPTDB-UHFFFAOYSA-N	0	0	515.595	3.480	50	0		KGAARN
CCOc1ccccc1N1CCN(c2ncc(S(=O)(=O)c3ccc(OC)c(Cl)c3)c(N)n2)CC1	ZINC000071771579	553636461	/nfs/dbraw/zinc/63/64/61/553636461.db2.gz	LXTUYXPUSWYSHP-UHFFFAOYSA-N	0	0	504.012	3.279	50	0		KGAARN
COc1ccc(S(=O)(=O)c2cnc(N3CCN(c4ccc(C(C)=O)cc4)CC3)nc2N)cc1Cl	ZINC000071771591	553636466	/nfs/dbraw/zinc/63/64/66/553636466.db2.gz	JYCPFZOVYXGGKY-UHFFFAOYSA-N	0	0	501.996	3.083	50	0		KGAARN
Cc1ccc(NC(=O)CN2CCN(c3ncc(S(=O)(=O)c4ccc(C(C)C)cc4)c(N)n3)CC2)cc1	ZINC000071771705	553636475	/nfs/dbraw/zinc/63/64/75/553636475.db2.gz	CWSAQMOTOGWZBD-UHFFFAOYSA-N	0	0	508.648	3.084	50	0		KGAARN
CCOc1ccccc1N1CCN(c2ncc(S(=O)(=O)c3cc(Cl)ccc3OC)c(N)n2)CC1	ZINC000071771954	553636895	/nfs/dbraw/zinc/63/68/95/553636895.db2.gz	GSPRCBDGQDJHQG-UHFFFAOYSA-N	0	0	504.012	3.279	50	0		KGAARN
COc1ccc(Cl)cc1S(=O)(=O)c1cnc(N2CCN(c3ccc(C(C)=O)cc3)CC2)nc1N	ZINC000071771963	553636781	/nfs/dbraw/zinc/63/67/81/553636781.db2.gz	XCKMNUWROGPCGM-UHFFFAOYSA-N	0	0	501.996	3.083	50	0		KGAARN
Cc1cc(NC(=O)Cn2c(=O)ncc3cc(S(=O)(=O)N4CCCCC4)ccc32)ccc1Br	ZINC000071772457	553636754	/nfs/dbraw/zinc/63/67/54/553636754.db2.gz	DNVDOKWJSKLJCY-UHFFFAOYSA-N	0	0	519.421	3.281	50	0		KGAARN
COc1ccc(NC(=O)Cn2c(=O)ncc3cc(S(=O)(=O)N4CCCC[C@H]4C)ccc32)cc1Cl	ZINC000071772623	553636774	/nfs/dbraw/zinc/63/67/74/553636774.db2.gz	ATVMJICPGDQVNJ-OAHLLOKOSA-N	0	0	504.996	3.260	50	0		KGAARN
COc1ccc(NC(=O)Cn2c(=O)ncc3cc(S(=O)(=O)N4CCCC[C@@H]4C)ccc32)cc1Cl	ZINC000071772625	553636880	/nfs/dbraw/zinc/63/68/80/553636880.db2.gz	ATVMJICPGDQVNJ-HNNXBMFYSA-N	0	0	504.996	3.260	50	0		KGAARN
CS(=O)(=O)N1CCN(c2c3ccc(F)cc3ncc2S(=O)(=O)c2ccc(F)c(Cl)c2)CC1	ZINC000071775310	553637051	/nfs/dbraw/zinc/63/70/51/553637051.db2.gz	BFSGXYYKFOPJNB-UHFFFAOYSA-N	0	0	501.964	3.081	50	0		KGAARN
CC(C)C[C@H]1C(=O)N2CCC[C@H]2[C@]2(O)O[C@](NC(=O)[C@H]3C=C4c5cccc6[nH]c(Br)c(c65)C[C@H]4N(C)C3)(C(C)C)C(=O)N12	ZINC000071928213	553639890	/nfs/dbraw/zinc/63/98/90/553639890.db2.gz	OZVBMTJYIDMWIL-SHUSXKRSSA-N	0	0	654.606	3.193	50	0	in-man	KGAARN
COc1ccc(O[C@@H]2O[C@H](COC(=O)c3ccc(C)cc3)[C@H](O)[C@H](O)[C@H]2OC(=O)c2ccc(C)cc2)cc1	ZINC000072099444	571360845	/nfs/dbraw/zinc/36/08/45/571360845.db2.gz	KGTSZMZIXWBXKC-MXCNSHPNSA-N	0	0	522.550	3.220	50	0		KGAARN
CO[C@H]1O[C@H](CO)[C@@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1	ZINC000072099773	553640025	/nfs/dbraw/zinc/64/00/25/553640025.db2.gz	BHQKQQXWEXIQMI-NRUNVSGISA-N	0	0	506.507	3.027	50	0		KGAARN
CCN(CC(=O)Nc1ccc(OC)cc1)C(=O)c1cccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)c1	ZINC000072103918	553640387	/nfs/dbraw/zinc/64/03/87/553640387.db2.gz	XJDPEKPJJPOLGT-UHFFFAOYSA-N	0	0	536.654	3.307	50	0		KGAARN
CCCCN(C(=O)c1cc(CN2C(=O)c3ccccc3C2=O)ccc1OC)c1c(N)n(CC(C)C)c(=O)[nH]c1=O	ZINC000072104514	553640403	/nfs/dbraw/zinc/64/04/03/553640403.db2.gz	HYLAHLBFSFGJQH-UHFFFAOYSA-N	0	0	547.612	3.027	50	0		KGAARN
CC(C)C[C@H]1C(=O)N2CCC[C@H]2[C@]2(O)O[C@](NC(=O)[C@@H]3C=C4c5cccc6[nH]c(Br)c(c65)C[C@@H]4N(C)C3)(C(C)C)C(=O)N12	ZINC000072119085	553640556	/nfs/dbraw/zinc/64/05/56/553640556.db2.gz	OZVBMTJYIDMWIL-WXLPYOAUSA-N	0	0	654.606	3.193	50	0		KGAARN
CCOc1ccc2oc(C(=O)OCC(=O)N(CC(C)C)c3c(N)n(Cc4ccccc4)c(=O)[nH]c3=O)c(C)c2c1	ZINC000072136392	553644354	/nfs/dbraw/zinc/64/43/54/553644354.db2.gz	WSEFRAOOOYMYJR-UHFFFAOYSA-N	0	0	548.596	3.466	50	0		KGAARN
CCCCn1c(N)c(N(CC(C)C)C(=O)c2cccc(S(=O)(=O)N(CC)c3ccccc3)c2)c(=O)[nH]c1=O	ZINC000072136505	553644402	/nfs/dbraw/zinc/64/44/02/553644402.db2.gz	FXIVGBGUJQQMND-UHFFFAOYSA-N	0	0	541.674	3.437	50	0		KGAARN
CCCCN(C(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl)c1c(N)n(CC(C)C)c(=O)[nH]c1=O	ZINC000072136922	553644330	/nfs/dbraw/zinc/64/43/30/553644330.db2.gz	PAALJBCKUAHAKE-UHFFFAOYSA-N	0	0	540.086	3.050	50	0		KGAARN
COCCN(C(=O)Cc1csc(-c2cccc(Cl)c2)n1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	ZINC000072137748	553644604	/nfs/dbraw/zinc/64/46/04/553644604.db2.gz	WSSQBZJXPWYRMA-UHFFFAOYSA-N	0	0	526.018	3.166	50	0		KGAARN
CCCCn1c(N)c(N(Cc2ccccc2OC)C(=O)CSCC(=O)Nc2ccc(C)cc2)c(=O)[nH]c1=O	ZINC000072138211	553644621	/nfs/dbraw/zinc/64/46/21/553644621.db2.gz	KRHBJRRORWGNMW-UHFFFAOYSA-N	0	0	539.658	3.141	50	0		KGAARN
C[C@H]1C[C@@]2(CC(C)(C)C1)NC(=O)N(CC(=O)OCC(=O)Nc1cc(S(=O)(=O)N3CCCCC3)ccc1Cl)C2=O	ZINC000072138340	553644662	/nfs/dbraw/zinc/64/46/62/553644662.db2.gz	KSMBZZBMFJTRQJ-QUGAMOGWSA-N	0	0	583.107	3.133	50	0		KGAARN
C[C@@H]1C[C@@]2(CC(C)(C)C1)NC(=O)N(CC(=O)OCC(=O)Nc1cc(S(=O)(=O)N3CCCCC3)ccc1Cl)C2=O	ZINC000072138341	553644674	/nfs/dbraw/zinc/64/46/74/553644674.db2.gz	KSMBZZBMFJTRQJ-QLXKLKPCSA-N	0	0	583.107	3.133	50	0		KGAARN
C[C@H]1C[C@]2(CC(C)(C)C1)NC(=O)N(CC(=O)OCC(=O)Nc1cc(S(=O)(=O)N3CCCCC3)ccc1Cl)C2=O	ZINC000072138342	553644636	/nfs/dbraw/zinc/64/46/36/553644636.db2.gz	KSMBZZBMFJTRQJ-WGDIFIGCSA-N	0	0	583.107	3.133	50	0		KGAARN
C[C@@H]1C[C@]2(CC(C)(C)C1)NC(=O)N(CC(=O)OCC(=O)Nc1cc(S(=O)(=O)N3CCCCC3)ccc1Cl)C2=O	ZINC000072138343	553644646	/nfs/dbraw/zinc/64/46/46/553644646.db2.gz	KSMBZZBMFJTRQJ-MRDQGFSESA-N	0	0	583.107	3.133	50	0		KGAARN
CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)OCC(=O)Nc3c(Cl)cccc3C(F)(F)F)c2)CC1	ZINC000072138484	553644596	/nfs/dbraw/zinc/64/45/96/553644596.db2.gz	XTFSUXBYINNITM-UHFFFAOYSA-N	0	0	547.939	3.007	50	0		KGAARN
CCCCN(C(=O)c1cccc(S(=O)(=O)N(C)c2ccc(C)cc2)c1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O	ZINC000072139331	553644589	/nfs/dbraw/zinc/64/45/89/553644589.db2.gz	INXHOZKNVGOBTR-UHFFFAOYSA-N	0	0	541.674	3.355	50	0		KGAARN
O=C(COC(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)N(CCc1ccccc1)Cc1ccccc1	ZINC000072139591	553644956	/nfs/dbraw/zinc/64/49/56/553644956.db2.gz	AZWPJIJRTUSWQI-UHFFFAOYSA-N	0	0	540.613	3.275	50	0		KGAARN
CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)N(C)CC(=O)Nc1ccccc1Br	ZINC000072139750	553644854	/nfs/dbraw/zinc/64/48/54/553644854.db2.gz	TTXXGAGIGDNZDT-IBGZPJMESA-N	0	0	528.494	3.255	50	0		KGAARN
CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)N(C)CC(=O)Nc1ccccc1Br	ZINC000072139751	553644869	/nfs/dbraw/zinc/64/48/69/553644869.db2.gz	TTXXGAGIGDNZDT-LJQANCHMSA-N	0	0	528.494	3.255	50	0		KGAARN
COc1ccc(C(=O)N[C@H](C(=O)OCCCOC(=O)[C@@H](NC(=O)c2ccc(OC)cc2)C(C)C)C(C)C)cc1	ZINC000072141896	553645003	/nfs/dbraw/zinc/64/50/03/553645003.db2.gz	OKGPWPOIMVJJQQ-DQEYMECFSA-N	0	0	542.629	3.389	50	0		KGAARN
Cc1c(-c2ccnn2C)cc(C(=O)NCc2ccc(S(C)(=O)=O)cn2)c(=O)n1-c1cccc(C(F)(F)F)c1	ZINC000072316197	553647260	/nfs/dbraw/zinc/64/72/60/553647260.db2.gz	QNQZWEGMKJBHEM-UHFFFAOYSA-N	0	0	545.543	3.294	50	0	investigational	KGAARN
COC(=O)c1ccc(NC(=O)COc2coc(CN3CCc4cc(OC)c(OC)cc4C3)cc2=O)cc1	ZINC000072324582	553647832	/nfs/dbraw/zinc/64/78/32/553647832.db2.gz	AGMYZFQLCRMMLB-UHFFFAOYSA-N	0	0	508.527	3.019	50	0	biogenic	KGAARN
COc1cc(OC)c(NC(=O)CN2N=C(c3nc(-c4ccc5c(c4)OCO5)no3)CCC2=O)cc1Cl	ZINC000072329688	553649037	/nfs/dbraw/zinc/64/90/37/553649037.db2.gz	YXALRENUPMEILU-UHFFFAOYSA-N	0	0	513.894	3.101	50	0		KGAARN
COc1cc(NC(=O)CN2N=C(c3nc(-c4ccc5c(c4)OCO5)no3)CCC2=O)c(OC)cc1Cl	ZINC000072329689	553649016	/nfs/dbraw/zinc/64/90/16/553649016.db2.gz	SIDVBBUIXRPAGN-UHFFFAOYSA-N	0	0	513.894	3.101	50	0		KGAARN
O=C(CN1N=C(c2nc(-c3ccc4c(c3)OCO4)no2)CCC1=O)N1CCC(Cc2ccccc2)CC1	ZINC000072329715	553648960	/nfs/dbraw/zinc/64/89/60/553648960.db2.gz	ZZPCARNVTJGENH-UHFFFAOYSA-N	0	0	501.543	3.273	50	0		KGAARN
O=C(COC(=O)COc1ccc(I)cc1)NCc1ccccc1Br	ZINC000072331025	553649356	/nfs/dbraw/zinc/64/93/56/553649356.db2.gz	MMEABFBNNPOLLX-UHFFFAOYSA-N	0	0	504.118	3.292	50	0		KGAARN
CCOc1ccc(NC(=O)Cn2c3c4ccccc4oc3c(=O)n(CC(=O)NC3CCCC3)c2=O)cc1	ZINC000072331993	553649497	/nfs/dbraw/zinc/64/94/97/553649497.db2.gz	WFKVSQWNVYTVIV-UHFFFAOYSA-N	0	0	504.543	3.006	50	0		KGAARN
CCN(C(=O)Cn1c2c3ccccc3oc2c(=O)n(CC(=O)NC2CCCC2)c1=O)c1cccc(C)c1	ZINC000072332006	553649415	/nfs/dbraw/zinc/64/94/15/553649415.db2.gz	LSMNZBLEGPUOGZ-UHFFFAOYSA-N	0	0	502.571	3.330	50	0		KGAARN
CCN(Cc1ccccc1)C(=O)Cn1c2c3ccccc3oc2c(=O)n(CC(=O)NC2CCCC2)c1=O	ZINC000072332023	553649367	/nfs/dbraw/zinc/64/93/67/553649367.db2.gz	QNVXMXXXIRHOMF-UHFFFAOYSA-N	0	0	502.571	3.017	50	0		KGAARN
COc1ccc(NC(=O)Cn2c3c4ccccc4oc3c(=O)n(CC(=O)NC3CCCC3)c2=O)cc1Cl	ZINC000072332026	553649481	/nfs/dbraw/zinc/64/94/81/553649481.db2.gz	NKOKBXHEXFQHSV-UHFFFAOYSA-N	0	0	524.961	3.269	50	0		KGAARN
O=C(Cn1c2c3ccccc3oc2c(=O)n(CC(=O)NC2CCCC2)c1=O)Nc1ccc(Cl)cc1F	ZINC000072332038	553649616	/nfs/dbraw/zinc/64/96/16/553649616.db2.gz	UNUYBEHJDKACQK-UHFFFAOYSA-N	0	0	512.925	3.399	50	0		KGAARN
O=C(Cn1c2c3ccccc3oc2c(=O)n(CC(=O)NC2CCCC2)c1=O)Nc1ccc(F)c(Cl)c1	ZINC000072332040	553649632	/nfs/dbraw/zinc/64/96/32/553649632.db2.gz	XYVPYDYIXWAVDE-UHFFFAOYSA-N	0	0	512.925	3.399	50	0		KGAARN
CSc1cccc(NC(=O)Cn2c3c4ccccc4oc3c(=O)n(CC(=O)NC3CCCC3)c2=O)c1	ZINC000072332043	553649668	/nfs/dbraw/zinc/64/96/68/553649668.db2.gz	DZJWMFVNFOEOLY-UHFFFAOYSA-N	0	0	506.584	3.329	50	0		KGAARN
CCc1cccc(C)c1NC(=O)Cn1c2c3ccccc3oc2c(=O)n(CC(=O)NC2CCCC2)c1=O	ZINC000072332044	553649604	/nfs/dbraw/zinc/64/96/04/553649604.db2.gz	DUNUNQSYTFAXPX-UHFFFAOYSA-N	0	0	502.571	3.478	50	0		KGAARN
C[C@@H](CCc1ccccc1)NC(=O)Cn1c2c3ccccc3oc2c(=O)n(CC(=O)NC2CCCC2)c1=O	ZINC000072332050	553649640	/nfs/dbraw/zinc/64/96/40/553649640.db2.gz	VCZHLSCEJWAARA-IBGZPJMESA-N	0	0	516.598	3.106	50	0		KGAARN
C[C@H](CCc1ccccc1)NC(=O)Cn1c2c3ccccc3oc2c(=O)n(CC(=O)NC2CCCC2)c1=O	ZINC000072332051	553649628	/nfs/dbraw/zinc/64/96/28/553649628.db2.gz	VCZHLSCEJWAARA-LJQANCHMSA-N	0	0	516.598	3.106	50	0		KGAARN
O=C(Cn1c2c3ccccc3oc2c(=O)n(CC(=O)NC2CCCC2)c1=O)Nc1cc(F)ccc1Cl	ZINC000072332078	553649620	/nfs/dbraw/zinc/64/96/20/553649620.db2.gz	DVLGLBZOANKMJH-UHFFFAOYSA-N	0	0	512.925	3.399	50	0		KGAARN
COc1ccc(Cl)cc1NC(=O)Cn1c2c3ccccc3oc2c(=O)n(CC(=O)NC2CCCC2)c1=O	ZINC000072332081	553649967	/nfs/dbraw/zinc/64/99/67/553649967.db2.gz	RTQJTDXOEINRNO-UHFFFAOYSA-N	0	0	524.961	3.269	50	0		KGAARN
O=C(Cn1c2c3ccccc3oc2c(=O)n(CC(=O)NC2CCCC2)c1=O)Nc1ccc2c(c1)CCC2	ZINC000072332082	553650042	/nfs/dbraw/zinc/65/00/42/553650042.db2.gz	ZYNBUICMCIGRNA-UHFFFAOYSA-N	0	0	500.555	3.096	50	0		KGAARN
O=C(NCCN1CCOCC1)c1ccc2c(c1)N(Cc1cccc(Cl)c1)C(=O)c1ccccc1S2(=O)=O	ZINC000073224355	553652049	/nfs/dbraw/zinc/65/20/49/553652049.db2.gz	BMGBJQVDJRVUNW-UHFFFAOYSA-N	0	0	540.041	3.395	50	0		KGAARN
CO[C@H]1O[C@H](COC(=O)c2ccccc2)[C@H](O)[C@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1	ZINC000077303461	553662011	/nfs/dbraw/zinc/66/20/11/553662011.db2.gz	WXFFEILSURAFKL-SUWSLWCISA-N	0	0	506.507	3.027	50	0	in-vitro	KGAARN
COC(=O)c1cc(Cn2c(=O)cnn([C@H]3O[C@H](COC(=O)c4ccccc4)[C@@H](OC(=O)c4ccccc4)[C@H]3OC(=O)c3ccccc3)c2=O)ccc1O	ZINC000079204240	553669582	/nfs/dbraw/zinc/66/95/82/553669582.db2.gz	CWNHSUQSRFHNMR-PTZSJIIDSA-N	0	0	721.675	3.151	50	0		KGAARN
COC(=O)c1cc(Cn2c(=O)cnn([C@@H]3O[C@H](COC(=O)c4ccccc4)[C@@H](OC(=O)c4ccccc4)[C@H]3OC(=O)c3ccccc3)c2=O)ccc1O	ZINC000079204244	553669598	/nfs/dbraw/zinc/66/95/98/553669598.db2.gz	CWNHSUQSRFHNMR-WXQJYUTRSA-N	0	0	721.675	3.151	50	0	biogenic	KGAARN
CC(=O)OC[C@H]1O[C@@H](OC(=O)Cc2ccccc2)[C@H](NC(=O)c2ccccc2OCc2ccccc2)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000079204438	553669859	/nfs/dbraw/zinc/66/98/59/553669859.db2.gz	GQDHKQKOEGTJLA-PGPQXSQJSA-N	0	0	633.650	3.301	50	0	biogenic	KGAARN
CC(=O)OC[C@H]1O[C@H](OC(=O)Cc2ccccc2)[C@H](NC(=O)c2ccccc2OCc2ccccc2)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000079204443	553669832	/nfs/dbraw/zinc/66/98/32/553669832.db2.gz	GQDHKQKOEGTJLA-JCTOGQLXSA-N	0	0	633.650	3.301	50	0	biogenic	KGAARN
CC(=O)OC[C@H]1O[C@@H](OC(=O)Cc2ccccc2)[C@H](NC(=O)c2ccc(OCc3ccccc3)cc2)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000079204492	553669836	/nfs/dbraw/zinc/66/98/36/553669836.db2.gz	IGGWFPXBYOKOBE-PGPQXSQJSA-N	0	0	633.650	3.301	50	0	biogenic	KGAARN
CC(=O)OC[C@H]1O[C@H](OC(=O)Cc2ccccc2)[C@H](NC(=O)c2ccc(OCc3ccccc3)cc2)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000079204494	553669827	/nfs/dbraw/zinc/66/98/27/553669827.db2.gz	IGGWFPXBYOKOBE-JCTOGQLXSA-N	0	0	633.650	3.301	50	0	biogenic	KGAARN
CC(=O)OC[C@@H]1O[C@@H](Oc2ccc(C(=O)Cc3ccc(Br)cc3)c(O)c2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000079209975	553670276	/nfs/dbraw/zinc/67/02/76/553670276.db2.gz	PHGHKHVDCGNPQE-IEAFHPEVSA-N	0	0	637.432	3.042	50	0	biogenic	KGAARN
CC(=O)OC[C@@H]1O[C@@H](Oc2ccc(C(=O)Cc3ccc(Br)cc3)c(O)c2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000079209982	553670151	/nfs/dbraw/zinc/67/01/51/553670151.db2.gz	PHGHKHVDCGNPQE-RKJAVHAZSA-N	0	0	637.432	3.042	50	0	biogenic	KGAARN
CC(=O)OC[C@@H]1O[C@@H](Oc2ccc3c(c2)occ(-c2ccc4c(c2)OCCCO4)c3=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	ZINC000079210016	553670177	/nfs/dbraw/zinc/67/01/77/553670177.db2.gz	BLRBRAOBLXHYAY-KXWMSWDWSA-N	0	0	640.594	3.083	50	0	biogenic	KGAARN
CC(=O)OC[C@@H]1O[C@@H](Oc2ccc3c(c2)occ(-c2ccc4c(c2)OCCCO4)c3=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O	ZINC000079210026	553670206	/nfs/dbraw/zinc/67/02/06/553670206.db2.gz	BLRBRAOBLXHYAY-XITCUVNESA-N	0	0	640.594	3.083	50	0	biogenic	KGAARN
CC(=O)N[C@@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](COC(C)=O)O[C@H]1Sc1nnc(COc2ccccc2Cl)n1-c1ccccc1	ZINC000079228627	553672542	/nfs/dbraw/zinc/67/25/42/553672542.db2.gz	FSUAATKDFLAORU-LZEBPPIWSA-N	0	0	647.106	3.248	50	0	biogenic	KGAARN
CC(=O)N[C@@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](COC(C)=O)O[C@H]1Sc1nnc(COc2ccc(Cl)cc2)n1C1CCCC1	ZINC000079231984	553672516	/nfs/dbraw/zinc/67/25/16/553672516.db2.gz	RFIVAFIZUIRXPQ-GDFOLFDLSA-N	0	0	639.127	3.374	50	0	biogenic	KGAARN
CCCCCn1c(COc2ccccc2Cl)nnc1S[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1NC(C)=O	ZINC000079231993	553672543	/nfs/dbraw/zinc/67/25/43/553672543.db2.gz	BFVBUCJGJBPILD-GDFOLFDLSA-N	0	0	641.143	3.449	50	0	biogenic	KGAARN
Cc1ccc(S(=O)(=O)c2cn(CCOC(=O)Nc3ccccc3)c(=O)n(-c3ccccc3)c2=O)cc1	ZINC000080346030	553673179	/nfs/dbraw/zinc/67/31/79/553673179.db2.gz	UWEAVGNSIYDESR-UHFFFAOYSA-N	0	0	505.552	3.389	50	0		KGAARN
COc1ccc(C(=O)O[C@@H]2c3c(c(-n4c(=O)n5n(c4=O)CCCC5)c(F)cc3Cl)OC2(C)C)cc1	ZINC000085389057	553678836	/nfs/dbraw/zinc/67/88/36/553678836.db2.gz	ICCOLCKOONMHNG-HXUWFJFHSA-N	0	0	503.914	3.465	50	0		KGAARN
COc1ccc(C(=O)O[C@H]2c3c(c(-n4c(=O)n5n(c4=O)CCCC5)c(F)cc3Cl)OC2(C)C)cc1	ZINC000085389062	553678859	/nfs/dbraw/zinc/67/88/59/553678859.db2.gz	ICCOLCKOONMHNG-FQEVSTJZSA-N	0	0	503.914	3.465	50	0		KGAARN
CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@@]1(C)C(=O)[C@H](O)C3=C(C)[C@@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c4ccccc4)C[C@@](O)([C@@H](OC(=O)c4ccccc4)[C@H]21)C3(C)C	ZINC000085537053	553682691	/nfs/dbraw/zinc/68/26/91/553682691.db2.gz	ZDZOTLJHXYCWBA-VCVYQWHSSA-N	0	0	807.890	3.260	50	0	biogenic,fda	KGAARN
COc1ccc(C)cc1NC(=O)C1CCN(S(=O)(=O)c2c(C)[nH]c(C)c2C(=O)N2CCCC2)CC1	ZINC000085616797	553685455	/nfs/dbraw/zinc/68/54/55/553685455.db2.gz	PLPCFNBRCQSKRR-UHFFFAOYSA-N	0	0	502.637	3.224	50	0		KGAARN
Cc1ccc(NC(=O)C2CCN(S(=O)(=O)c3cc(C(=O)N4CCOCC4)cs3)CC2)cc1Cl	ZINC000085641516	553685609	/nfs/dbraw/zinc/68/56/09/553685609.db2.gz	YQKJAJSHWCJBPA-UHFFFAOYSA-N	0	0	512.053	3.222	50	0		KGAARN
CC(C)c1ccc(NC(=O)C2CCN(S(=O)(=O)c3cc(C(=O)N4CCOCC4)cs3)CC2)cc1	ZINC000085641551	553685617	/nfs/dbraw/zinc/68/56/17/553685617.db2.gz	RQQHURVSSMLNNO-UHFFFAOYSA-N	0	0	505.662	3.383	50	0		KGAARN
O=C(Nc1ccc(F)c(Cl)c1)C1CCN(S(=O)(=O)c2cc(C(=O)N3CCOCC3)cs2)CC1	ZINC000085641570	553685568	/nfs/dbraw/zinc/68/55/68/553685568.db2.gz	CRFJORNQKWMRNR-UHFFFAOYSA-N	0	0	516.016	3.052	50	0		KGAARN
O=C(Nc1ccc(Cl)cc1F)C1CCN(S(=O)(=O)c2cc(C(=O)N3CCOCC3)cs2)CC1	ZINC000085641572	553685585	/nfs/dbraw/zinc/68/55/85/553685585.db2.gz	PHNNDSOIFQSYEZ-UHFFFAOYSA-N	0	0	516.016	3.052	50	0		KGAARN
CC(=O)OC[C@@H]1O[C@@H](Oc2ccc3c(c2)oc(C)c(-c2ccc4c(c2)OCCO4)c3=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O	ZINC000085866938	553687468	/nfs/dbraw/zinc/68/74/68/553687468.db2.gz	VPFJKBXPAREIHK-XAFFTLPBSA-N	0	0	640.594	3.002	50	0	biogenic	KGAARN
CC(=O)OC[C@@H]1O[C@@H](Oc2ccc3c(c2)oc(C)c(-c2ccc4c(c2)OCCO4)c3=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O	ZINC000085866943	553687316	/nfs/dbraw/zinc/68/73/16/553687316.db2.gz	VPFJKBXPAREIHK-BTYYIWBCSA-N	0	0	640.594	3.002	50	0	biogenic	KGAARN
CC(=O)OC[C@@H]1O[C@@H](Oc2ccc3c(c2)oc(C)c(-c2ccc4c(c2)OCCO4)c3=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	ZINC000085866947	553687411	/nfs/dbraw/zinc/68/74/11/553687411.db2.gz	VPFJKBXPAREIHK-NBUBIBOFSA-N	0	0	640.594	3.002	50	0	biogenic	KGAARN
CC(=O)OC[C@@H]1O[C@@H](Oc2ccc3c(c2)oc(C)c(-c2ccc4c(c2)OCCO4)c3=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	ZINC000085866951	553687391	/nfs/dbraw/zinc/68/73/91/553687391.db2.gz	VPFJKBXPAREIHK-QGPAZHQZSA-N	0	0	640.594	3.002	50	0	biogenic	KGAARN
CCc1cc2c(cc1O[C@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O)occ(-c1ccc3c(c1)OCO3)c2=O	ZINC000085866965	553687434	/nfs/dbraw/zinc/68/74/34/553687434.db2.gz	NDEVARCRJOYXJL-ICLVLUFYSA-N	0	0	640.594	3.213	50	0	biogenic	KGAARN
COC(=O)C=Cc1c(C)[nH]c(=O)n([C@@H]2O[C@H](COC(=O)c3ccccc3)[C@@H](OC(=O)c3ccccc3)[C@H]2OC(=O)c2ccccc2)c1=O	ZINC000085867403	553687697	/nfs/dbraw/zinc/68/76/97/553687697.db2.gz	MKSSQIPSMKGBQX-HDPDVOOBSA-N	0	0	654.628	3.237	50	0	biogenic	KGAARN
CC(C)C[C@@H]([NH2+]C[C@@H](Cc1ccccc1)NC(=O)c1oc2cc([O-])ccc2c(=O)c1-c1ccc(F)cc1)C(=O)N[C@H](CCCNC(N)=[NH2+])C(=O)[O-]	ZINC000085867776	553688137	/nfs/dbraw/zinc/68/81/37/553688137.db2.gz	BXKNQKQIBKBMIZ-MOZWKJSSSA-N	0	0	702.784	3.483	50	0	biogenic	KGAARN
CC1(C)O[C@@H]2O[C@H]([C@@H](COC(=O)CNC(=O)OCc3ccccc3)OC(=O)CNC(=O)OCc3ccccc3)[C@@H](OC(=O)CNC(=O)OCc3ccccc3)[C@@H]2O1	ZINC000085889160	553690270	/nfs/dbraw/zinc/69/02/70/553690270.db2.gz	UWNHGNFQFGCESF-CBGNSKTFSA-N	0	0	793.779	3.009	50	0	biogenic	KGAARN
CC1(C)O[C@@H]2O[C@H]([C@@H](COC(=O)CNC(=O)OCc3ccccc3)OC(=O)CNC(=O)OCc3ccccc3)[C@H](OC(=O)CNC(=O)OCc3ccccc3)[C@@H]2O1	ZINC000085889163	553690248	/nfs/dbraw/zinc/69/02/48/553690248.db2.gz	UWNHGNFQFGCESF-REVRJXTHSA-N	0	0	793.779	3.009	50	0	biogenic	KGAARN
CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@@]1(C)C(=O)[C@H](O)C3=C(C)[C@@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c4ccccc4)C[C@@](O)([C@@H](OC(=O)c4ccccc4)[C@@H]21)C3(C)C	ZINC000085914855	553692314	/nfs/dbraw/zinc/69/23/14/553692314.db2.gz	ZDZOTLJHXYCWBA-JDVNGFAUSA-N	0	0	807.890	3.464	50	0	biogenic,world	KGAARN
COc1cc2[nH]c(=O)n(Cc3ccc(C(=O)N4CCN(c5cccc(C)c5)CC4)cc3)c(=O)c2cc1OC	ZINC000085942067	553692561	/nfs/dbraw/zinc/69/25/61/553692561.db2.gz	GGMUOCGBLFLFRZ-UHFFFAOYSA-N	0	0	514.582	3.026	50	0		KGAARN
O=C(/C=C/c1cn(Cc2ccccc2)nc1-c1cccs1)OCC(=O)N(C1CC1)[C@@H]1CCS(=O)(=O)C1	ZINC000089841016	1060002832	/nfs/dbraw/zinc/00/28/32/1060002832.db2.gz	HHNZUUICOWVJCZ-YVWYTEFXSA-N	0	0	525.652	3.394	50	0		KGAARN
O=C(/C=C/c1cn(Cc2ccccc2)nc1-c1cccs1)OCC(=O)N(C1CC1)[C@H]1CCS(=O)(=O)C1	ZINC000089841018	1060002853	/nfs/dbraw/zinc/00/28/53/1060002853.db2.gz	HHNZUUICOWVJCZ-NJTIBFSMSA-N	0	0	525.652	3.394	50	0		KGAARN
CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@@]1(C)C(=O)[C@H](O)C3=C(C)[C@@H](OC(=O)[C@H](O)[C@@H](NC(=O)c4ccccc4)c4ccccc4)C[C@@](O)([C@@H](OC(=O)c4ccccc4)[C@H]21)C3(C)C	ZINC000094303247	553696302	/nfs/dbraw/zinc/69/63/02/553696302.db2.gz	TYLVGQKNNUHXIP-MHHARFCSSA-N	0	0	811.881	3.165	50	0	biogenic,in-vitro	KGAARN
CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@@]1(C)C(=O)[C@H](O)C3=C(C)[C@@H](OC(=O)[C@@H](O)[C@@H](NC(=O)OC(C)(C)C)c4ccccc4)C[C@@](O)([C@@H](OC(=O)c4ccccc4)[C@H]21)C3(C)C	ZINC000094303281	553696294	/nfs/dbraw/zinc/69/62/94/553696294.db2.gz	ZDZOTLJHXYCWBA-KWUUUEAUSA-N	0	0	807.890	3.260	50	0		KGAARN
Cc1ccccc1-n1c(SCCS(C)(=O)=O)nnc1-c1cn(CCS(C)(=O)=O)c2ccccc12	ZINC000095462709	553701126	/nfs/dbraw/zinc/70/11/26/553701126.db2.gz	MZSPEDNPUUVRMH-UHFFFAOYSA-N	0	0	518.686	3.379	50	0		KGAARN
O=C1C[C@H](N2CCN(C/C=C\c3ccccc3)CC2)C(=O)N1c1ccc(I)cc1	ZINC000095531913	553702437	/nfs/dbraw/zinc/70/24/37/553702437.db2.gz	AHQIAXJKUVIOBN-PAKAJVGYSA-N	0	0	501.368	3.254	50	0		KGAARN
CCOC(=O)c1ccc(N2C(=O)C[C@H](N3CCC(O)(c4ccc(Br)cc4)CC3)C2=O)cc1	ZINC000095531942	553702784	/nfs/dbraw/zinc/70/27/84/553702784.db2.gz	IIJPGUVYCGCBSL-FQEVSTJZSA-N	0	0	501.377	3.241	50	0		KGAARN
CCOC(=O)c1ccc(N2C(=O)C[C@@H](N3CCC(O)(c4ccc(Br)cc4)CC3)C2=O)cc1	ZINC000095531943	553702738	/nfs/dbraw/zinc/70/27/38/553702738.db2.gz	IIJPGUVYCGCBSL-HXUWFJFHSA-N	0	0	501.377	3.241	50	0		KGAARN
CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@@]1(C)C(=O)[C@H](O)C3=C(C)[C@@H](OC(=O)[C@@H](O)[C@H](NC(=O)OC(C)(C)C)c4ccccc4)C[C@@](O)([C@@H](OC(=O)c4ccccc4)[C@H]21)C3(C)C	ZINC000095543494	553703052	/nfs/dbraw/zinc/70/30/52/553703052.db2.gz	ZDZOTLJHXYCWBA-GXCNZREGSA-N	0	0	807.890	3.260	50	0		KGAARN
CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@@]1(C)C(=O)[C@H](O)C3=C(C)[C@@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c4ccccc4)C[C@](O)([C@@H](OC(=O)c4ccccc4)[C@H]21)C3(C)C	ZINC000095546207	553703431	/nfs/dbraw/zinc/70/34/31/553703431.db2.gz	ZDZOTLJHXYCWBA-BSEPLHNVSA-N	0	0	807.890	3.260	50	0	investigational	KGAARN
COc1cc(/C=C/C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3C)CC2)ccc1OC(F)F	ZINC000095566367	553704630	/nfs/dbraw/zinc/70/46/30/553704630.db2.gz	RHJFOKVIGVWIER-RMKNXTFCSA-N	0	0	538.569	3.003	50	0		KGAARN
CCCCn1c(N)c(N(CCOC)C(=O)C[C@H](NC(=O)c2ccccc2Cl)c2ccccc2)c(=O)[nH]c1=O	ZINC000095567351	553704626	/nfs/dbraw/zinc/70/46/26/553704626.db2.gz	YRCMUKZWGINSQJ-NRFANRHFSA-N	0	0	542.036	3.113	50	0		KGAARN
CCCCn1c(N)c(N(CCOC)C(=O)C[C@@H](NC(=O)c2ccccc2Cl)c2ccccc2)c(=O)[nH]c1=O	ZINC000095567352	553704637	/nfs/dbraw/zinc/70/46/37/553704637.db2.gz	YRCMUKZWGINSQJ-OAQYLSRUSA-N	0	0	542.036	3.113	50	0		KGAARN
Cc1ccc(S(=O)(=O)N2CCN(C(=O)COC(=O)c3ncc(Cl)c(Cl)c3Cl)CC2)c(C)c1	ZINC000095567656	553704655	/nfs/dbraw/zinc/70/46/55/553704655.db2.gz	UFZNHPCVUFWZQM-UHFFFAOYSA-N	0	0	520.822	3.349	50	0		KGAARN
CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)c1cccc(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)c1	ZINC000095570515	553705108	/nfs/dbraw/zinc/70/51/08/553705108.db2.gz	VDVWCQZRWRGTRE-BGYRXZFFSA-N	0	0	547.674	3.371	50	0		KGAARN
CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)c1cccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)c1	ZINC000095570516	553705103	/nfs/dbraw/zinc/70/51/03/553705103.db2.gz	VDVWCQZRWRGTRE-WOJBJXKFSA-N	0	0	547.674	3.371	50	0		KGAARN
CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)c1cccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)c1	ZINC000095570517	553705057	/nfs/dbraw/zinc/70/50/57/553705057.db2.gz	VDVWCQZRWRGTRE-PMACEKPBSA-N	0	0	547.674	3.371	50	0		KGAARN
CCCCN(C(=O)c1cccc(S(=O)(=O)N(CC)c2ccccc2)c1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O	ZINC000095570837	553705070	/nfs/dbraw/zinc/70/50/70/553705070.db2.gz	BQYYQXYBLAQRDF-UHFFFAOYSA-N	0	0	541.674	3.437	50	0		KGAARN
CCCCN(C(=O)c1ccc(N(C)S(=O)(=O)c2ccc(C)cc2)cc1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O	ZINC000095570981	553705058	/nfs/dbraw/zinc/70/50/58/553705058.db2.gz	HWHZCBDJTAPBDD-UHFFFAOYSA-N	0	0	541.674	3.355	50	0		KGAARN
CC(C)C[C@H](NC(=O)c1cc2ccccc2s1)C(=O)N1CCN(C(=O)[C@H](CO)NS(=O)(=O)c2ccc(Cl)cc2Cl)CC1	ZINC000095571016	553705065	/nfs/dbraw/zinc/70/50/65/553705065.db2.gz	IVYQPSHHYIAUFO-VXKWHMMOSA-N	0	0	655.626	3.363	50	0	in-vitro	KGAARN
CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@@]1(C)C(=O)[C@H](O)C3=C(C)[C@@H](OC(=O)[C@H](O)[C@H](NC(=O)OC(C)(C)C)c4ccccc4)C[C@@](O)([C@@H](OC(=O)c4ccccc4)[C@H]21)C3(C)C	ZINC000095610544	553705564	/nfs/dbraw/zinc/70/55/64/553705564.db2.gz	ZDZOTLJHXYCWBA-SAVFJILCSA-N	0	0	807.890	3.260	50	0		KGAARN
CC(=O)OC[C@H]1O[C@@H](Oc2c(Br)cc(Br)cc2Br)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000095660853	553706549	/nfs/dbraw/zinc/70/65/49/553706549.db2.gz	QQLSQKBJOXHUDS-PKOFMYQESA-N	0	0	661.090	3.436	50	0		KGAARN
CCOC(=O)C1=c2s/c(=C/c3ccc(SC)cc3)c(=O)n2C(N)=C(C(=O)OCC)[C@@H]1c1ccc(SC)cc1	ZINC000095707566	553709394	/nfs/dbraw/zinc/70/93/94/553709394.db2.gz	ZFHDENDXJHUODG-MEPUESOJSA-N	0	0	568.742	3.384	50	0		KGAARN
CCOC(=O)C1=c2s/c(=C/c3ccc(SC)cc3)c(=O)n2C(N)=C(C(=O)OCC)[C@H]1c1ccc(SC)cc1	ZINC000095707568	553709401	/nfs/dbraw/zinc/70/94/01/553709401.db2.gz	ZFHDENDXJHUODG-LSSXRZCCSA-N	0	0	568.742	3.384	50	0		KGAARN
O=S(=O)(N[C@@H]1CCS(=O)(=O)C1)c1ccc(-c2ccc(S(=O)(=O)c3ccc(Cl)cc3)cc2)cc1	ZINC000095722663	553710083	/nfs/dbraw/zinc/71/00/83/553710083.db2.gz	RTZIJOKGKGBTAB-LJQANCHMSA-N	0	0	526.057	3.305	50	0		KGAARN
CC(C)(CO)c1cc2cc(NC(=O)C3(c4cccc5c4OC(F)(F)O5)CC3)c(F)cc2n1C[C@@H](O)CO	ZINC000095743504	553712678	/nfs/dbraw/zinc/71/26/78/553712678.db2.gz	NXDMCSXKTNIDTQ-OAHLLOKOSA-N	0	0	520.504	3.395	50	0		KGAARN
COC(=O)c1cc(NC(=O)N[C@H]2N=C(c3ccccc3)c3ccccc3N(C)C2=O)cc(C(=O)OC)c1	ZINC000095929392	553715301	/nfs/dbraw/zinc/71/53/01/553715301.db2.gz	VJZTZSKADUFFQB-HSZRJFAPSA-N	0	0	500.511	3.221	50	0		KGAARN
COC(=O)c1cc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(C)C2=O)cc(C(=O)OC)c1	ZINC000095929393	553715326	/nfs/dbraw/zinc/71/53/26/553715326.db2.gz	VJZTZSKADUFFQB-QHCPKHFHSA-N	0	0	500.511	3.221	50	0		KGAARN
COc1ncc(-c2cc3n[nH]cc3c(-c3ncc(CN4C[C@@H](C)O[C@@H](C)C4)o3)c2)cc1NS(C)(=O)=O	ZINC000095938263	553715223	/nfs/dbraw/zinc/71/52/23/553715223.db2.gz	NLUPPCTVKHDVIQ-GASCZTMLSA-N	0	0	512.592	3.269	50	0	in-vitro	KGAARN
COc1cc(S(=O)(=O)N2CCCN(S(=O)(=O)c3ccc(Cl)c(OC)c3)CC2)ccc1Cl	ZINC000095945979	553715799	/nfs/dbraw/zinc/71/57/99/553715799.db2.gz	JUJGCLOAYNNZQR-UHFFFAOYSA-N	0	0	509.433	3.096	50	0		KGAARN
COc1cc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(Cl)c(OC)c3)[C@H](C)C2)ccc1Cl	ZINC000095946082	553715813	/nfs/dbraw/zinc/71/58/13/553715813.db2.gz	LSYVLBKOROTCMX-CYBMUJFWSA-N	0	0	509.433	3.094	50	0		KGAARN
COc1cc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(Cl)c(OC)c3)[C@@H](C)C2)ccc1Cl	ZINC000095946083	553715839	/nfs/dbraw/zinc/71/58/39/553715839.db2.gz	LSYVLBKOROTCMX-ZDUSSCGKSA-N	0	0	509.433	3.094	50	0		KGAARN
CCOc1ccc(Cl)cc1S(=O)(=O)N1CCN(S(=O)(=O)c2cc(Cl)ccc2OCC)CC1	ZINC000095946086	553715770	/nfs/dbraw/zinc/71/57/70/553715770.db2.gz	NSIXQZWXHPUZJO-UHFFFAOYSA-N	0	0	523.460	3.486	50	0		KGAARN
COc1ccc(Cl)cc1S(=O)(=O)N1CCN(S(=O)(=O)c2cc(Cl)ccc2OC)[C@H](C)C1	ZINC000095946367	553716131	/nfs/dbraw/zinc/71/61/31/553716131.db2.gz	ZBSUEIKLNDSQLM-CYBMUJFWSA-N	0	0	509.433	3.094	50	0		KGAARN
COc1ccc(Cl)cc1S(=O)(=O)N1CCN(S(=O)(=O)c2cc(Cl)ccc2OC)[C@@H](C)C1	ZINC000095946368	553716138	/nfs/dbraw/zinc/71/61/38/553716138.db2.gz	ZBSUEIKLNDSQLM-ZDUSSCGKSA-N	0	0	509.433	3.094	50	0		KGAARN
CCOc1cc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(Cl)c(OCC)c3)CC2)ccc1Cl	ZINC000095946468	553716137	/nfs/dbraw/zinc/71/61/37/553716137.db2.gz	XUMBOGHQRDQYPQ-UHFFFAOYSA-N	0	0	523.460	3.486	50	0		KGAARN
Cn1c2nc(N3CCN(c4cccc(Cl)c4)CC3)n(CCSc3nc4ccccc4o3)c2c(=O)[nH]c1=O	ZINC000096019754	553716572	/nfs/dbraw/zinc/71/65/72/553716572.db2.gz	WHXSGIZEHXLRNZ-UHFFFAOYSA-N	0	0	538.033	3.337	50	0		KGAARN
Cn1c2nc(N3CCN(c4ccccc4)CC3)n(CCSc3nc4ccccc4s3)c2c(=O)n(C)c1=O	ZINC000096019864	553716861	/nfs/dbraw/zinc/71/68/61/553716861.db2.gz	JCKAYWLKLXQQAW-UHFFFAOYSA-N	0	0	533.683	3.162	50	0		KGAARN
Cn1c2nc(N3CCN(c4cccc(Cl)c4)CC3)n(CCSc3nc4ccccc4o3)c2c(=O)n(C)c1=O	ZINC000096019866	553716859	/nfs/dbraw/zinc/71/68/59/553716859.db2.gz	MBKLKUIWTWMSBR-UHFFFAOYSA-N	0	0	552.060	3.347	50	0		KGAARN
O=C(c1ccc(NC2=NS(=O)(=O)c3ccccc32)cc1)N1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1	ZINC000096021437	553717145	/nfs/dbraw/zinc/71/71/45/553717145.db2.gz	GKJKOUGCFJCOHX-UHFFFAOYSA-N	0	0	564.689	3.273	50	0		KGAARN
O=C(COC(=O)[C@H]1CCCN(C2=NS(=O)(=O)c3ccccc32)C1)Nc1nc(-c2ccc(F)cc2)cs1	ZINC000096021607	553717484	/nfs/dbraw/zinc/71/74/84/553717484.db2.gz	MAVSOTRMVPMGCN-INIZCTEOSA-N	0	0	528.587	3.292	50	0		KGAARN
O=C(COC(=O)[C@@H]1CCCN(C2=NS(=O)(=O)c3ccccc32)C1)Nc1nc(-c2ccc(F)cc2)cs1	ZINC000096021608	553717412	/nfs/dbraw/zinc/71/74/12/553717412.db2.gz	MAVSOTRMVPMGCN-MRXNPFEDSA-N	0	0	528.587	3.292	50	0		KGAARN
CCOC(=O)c1c(C)c(C(=O)N(CC)CC)sc1NC(=O)COc1cc(C(=O)OC)cc(C(=O)OC)c1	ZINC000096021611	553717380	/nfs/dbraw/zinc/71/73/80/553717380.db2.gz	IKCJVWYMKCZSQO-UHFFFAOYSA-N	0	0	534.587	3.306	50	0		KGAARN
O=C1CN(c2ccccc2I)C(=O)CN1c1ccccc1I	ZINC000096021674	553717415	/nfs/dbraw/zinc/71/74/15/553717415.db2.gz	JHHWIZRSSRVHOG-UHFFFAOYSA-N	0	0	518.092	3.276	50	0		KGAARN
COc1ccc(CCN(Cc2nc3cc(OC)c(OC)cc3c(=O)[nH]2)Cc2nc3cc(OC)c(OC)cc3c(=O)[nH]2)cc1	ZINC000096021723	553717616	/nfs/dbraw/zinc/71/76/16/553717616.db2.gz	OKTPDACNLGGNMC-UHFFFAOYSA-N	0	0	587.633	3.448	50	0		KGAARN
NC(=O)N[C@H](CC(=O)OCC(=O)NC(=O)Nc1ccc2c(c1)OCCO2)c1cccc(Oc2ccccc2)c1	ZINC000096021753	553717630	/nfs/dbraw/zinc/71/76/30/553717630.db2.gz	MGRLCIBPHPJGAG-OAQYLSRUSA-N	0	0	534.525	3.241	50	0		KGAARN
NC(=O)N[C@@H](CC(=O)OCC(=O)NC(=O)Nc1ccc2c(c1)OCCO2)c1cccc(Oc2ccccc2)c1	ZINC000096021754	553717652	/nfs/dbraw/zinc/71/76/52/553717652.db2.gz	MGRLCIBPHPJGAG-NRFANRHFSA-N	0	0	534.525	3.241	50	0		KGAARN
COc1ccc(CN(Cc2nc3cc(OC)c(OC)cc3c(=O)[nH]2)Cc2nc3cc(OC)c(OC)cc3c(=O)[nH]2)cc1OC	ZINC000096021793	553717892	/nfs/dbraw/zinc/71/78/92/553717892.db2.gz	KLSAZRQBHCMCDV-UHFFFAOYSA-N	0	0	603.632	3.414	50	0		KGAARN
CC1(C)C[C@H](NC(=O)CSc2nnnn2-c2ccccc2)C[C@@](C)(CNC(=O)CSc2nnnn2-c2ccccc2)C1	ZINC000096022122	553719580	/nfs/dbraw/zinc/71/95/80/553719580.db2.gz	KOTDICDAMJYQNG-WTYVLRPYSA-N	0	0	606.782	3.340	50	0		KGAARN
CC1(C)C[C@@H](NC(=O)CSc2nnnn2-c2ccccc2)C[C@@](C)(CNC(=O)CSc2nnnn2-c2ccccc2)C1	ZINC000096022123	553719634	/nfs/dbraw/zinc/71/96/34/553719634.db2.gz	KOTDICDAMJYQNG-PIIWDFAUSA-N	0	0	606.782	3.340	50	0		KGAARN
CC1(C)C[C@H](NC(=O)CSc2nnnn2-c2ccccc2)C[C@](C)(CNC(=O)CSc2nnnn2-c2ccccc2)C1	ZINC000096022124	553719623	/nfs/dbraw/zinc/71/96/23/553719623.db2.gz	KOTDICDAMJYQNG-MMTVBGGISA-N	0	0	606.782	3.340	50	0		KGAARN
CC1(C)C[C@@H](NC(=O)CSc2nnnn2-c2ccccc2)C[C@](C)(CNC(=O)CSc2nnnn2-c2ccccc2)C1	ZINC000096022125	553719671	/nfs/dbraw/zinc/71/96/71/553719671.db2.gz	KOTDICDAMJYQNG-NGOKVRLYSA-N	0	0	606.782	3.340	50	0		KGAARN
CC(C)C[C@H](C(=O)NCCCCNC(=O)[C@H](CC(C)C)N1C(=O)c2ccccc2C1=O)N1C(=O)c2ccccc2C1=O	ZINC000096022164	553719903	/nfs/dbraw/zinc/71/99/03/553719903.db2.gz	AKUVOYXIRQRYKX-WMPKNSHKSA-N	0	0	574.678	3.421	50	0		KGAARN
CC(C)C[C@H](C(=O)NCCCCNC(=O)[C@@H](CC(C)C)N1C(=O)c2ccccc2C1=O)N1C(=O)c2ccccc2C1=O	ZINC000096022165	553719850	/nfs/dbraw/zinc/71/98/50/553719850.db2.gz	AKUVOYXIRQRYKX-CLJLJLNGSA-N	0	0	574.678	3.421	50	0		KGAARN
CC(C)C[C@@H](C(=O)NCCCCNC(=O)[C@H](CC(C)C)N1C(=O)c2ccccc2C1=O)N1C(=O)c2ccccc2C1=O	ZINC000096022166	553719879	/nfs/dbraw/zinc/71/98/79/553719879.db2.gz	AKUVOYXIRQRYKX-UIOOFZCWSA-N	0	0	574.678	3.421	50	0		KGAARN
O=C(NCCC12CC3CC(C1)CC(CCNC(=O)c1ccc(S(=O)(=O)N4CCOCC4)cc1)(C3)C2)c1ccc(S(=O)(=O)N2CCOCC2)cc1	ZINC000096022608	553721761	/nfs/dbraw/zinc/72/17/61/553721761.db2.gz	ZKLCPGWTUWSQQY-UHFFFAOYSA-N	0	0	728.934	3.255	50	0		KGAARN
O=C(Cn1c2ccccc2c2c1-c1nc3ccccc3c(=O)n1CC2)N1CCN(CCc2ccncc2)CC1	ZINC000096114035	553724652	/nfs/dbraw/zinc/72/46/52/553724652.db2.gz	KUJCJXYUNDOFAZ-UHFFFAOYSA-N	0	0	518.621	3.356	50	0	biogenic	KGAARN
COc1ccc(NC(=O)[C@H]2Oc3c(c(=O)oc4ccccc34)[C@H]2c2ccc(OCC(N)=O)c(OC)c2)cc1	ZINC000096114970	553725396	/nfs/dbraw/zinc/72/53/96/553725396.db2.gz	NZQHCASYTDQQPK-BVAGGSTKSA-N	0	0	516.506	3.206	50	0	biogenic	KGAARN
COc1ccc(NC(=O)[C@@H]2Oc3c(c(=O)oc4ccccc34)[C@H]2c2ccc(OCC(N)=O)c(OC)c2)cc1	ZINC000096114971	553725377	/nfs/dbraw/zinc/72/53/77/553725377.db2.gz	NZQHCASYTDQQPK-ZEQKJWHPSA-N	0	0	516.506	3.206	50	0	biogenic	KGAARN
COc1ccc(NC(=O)[C@H]2Oc3c(c(=O)oc4ccccc34)[C@@H]2c2ccc(OCC(N)=O)c(OC)c2)cc1	ZINC000096114972	553725462	/nfs/dbraw/zinc/72/54/62/553725462.db2.gz	NZQHCASYTDQQPK-OZXSUGGESA-N	0	0	516.506	3.206	50	0	biogenic	KGAARN
COc1ccc(NC(=O)[C@@H]2Oc3c(c(=O)oc4ccccc34)[C@@H]2c2ccc(OCC(N)=O)c(OC)c2)cc1	ZINC000096114973	553725374	/nfs/dbraw/zinc/72/53/74/553725374.db2.gz	NZQHCASYTDQQPK-JYFHCDHNSA-N	0	0	516.506	3.206	50	0	biogenic	KGAARN
COc1ccc(NC(=O)[C@H]2Oc3c(c(=O)oc4ccccc34)[C@H]2c2ccc(OC)c(OCC(N)=O)c2)cc1	ZINC000096115359	553725664	/nfs/dbraw/zinc/72/56/64/553725664.db2.gz	GYTYRXXDTICQRB-BVAGGSTKSA-N	0	0	516.506	3.206	50	0	biogenic	KGAARN
COc1ccc(NC(=O)[C@@H]2Oc3c(c(=O)oc4ccccc34)[C@H]2c2ccc(OC)c(OCC(N)=O)c2)cc1	ZINC000096115360	553725789	/nfs/dbraw/zinc/72/57/89/553725789.db2.gz	GYTYRXXDTICQRB-ZEQKJWHPSA-N	0	0	516.506	3.206	50	0	biogenic	KGAARN
COc1ccc(NC(=O)[C@H]2Oc3c(c(=O)oc4ccccc34)[C@@H]2c2ccc(OC)c(OCC(N)=O)c2)cc1	ZINC000096115361	553725768	/nfs/dbraw/zinc/72/57/68/553725768.db2.gz	GYTYRXXDTICQRB-OZXSUGGESA-N	0	0	516.506	3.206	50	0	biogenic	KGAARN
COc1ccc(NC(=O)[C@@H]2Oc3c(c(=O)oc4ccccc34)[C@@H]2c2ccc(OC)c(OCC(N)=O)c2)cc1	ZINC000096115362	553725807	/nfs/dbraw/zinc/72/58/07/553725807.db2.gz	GYTYRXXDTICQRB-JYFHCDHNSA-N	0	0	516.506	3.206	50	0	biogenic	KGAARN
O=C(Cn1c2ccccc2c2c1-c1nc3ccccc3c(=O)n1CC2)N1CCN(Cc2cccnc2)CC1	ZINC000096115915	553726622	/nfs/dbraw/zinc/72/66/22/553726622.db2.gz	PRMVCWXKGNXBEK-UHFFFAOYSA-N	0	0	504.594	3.314	50	0	biogenic	KGAARN
CCOC(=O)c1c2c(sc1NC(=O)/C=C\c1ccc(S(=O)(=O)N3CCOCC3)cc1)CCCC2	ZINC000096117675	553726714	/nfs/dbraw/zinc/72/67/14/553726714.db2.gz	UUWXHBMNXPPLPK-XFXZXTDPSA-N	0	0	504.630	3.476	50	0		KGAARN
CCOC(=O)/C=C\c1ccc(NC(=O)CSc2nnc3ccc(S(=O)(=O)N(CC)CC)cn32)cc1	ZINC000096129568	553727112	/nfs/dbraw/zinc/72/71/12/553727112.db2.gz	JHHJQAOCPBLNSU-ZROIWOOFSA-N	0	0	517.633	3.067	50	0		KGAARN
CC[C@@H](C)NC(=O)[C@@H]1COC2(CCN(C(=O)c3ccc(F)cc3F)CC2)N1C(=O)c1ccc(OC)cc1	ZINC000096210043	553728824	/nfs/dbraw/zinc/72/88/24/553728824.db2.gz	UAJRWDBHLFUVEB-HXOBKFHXSA-N	0	0	515.557	3.362	50	0		KGAARN
CC[C@H](C)NC(=O)[C@@H]1COC2(CCN(C(=O)c3ccc(F)cc3F)CC2)N1C(=O)c1ccc(OC)cc1	ZINC000096210044	553728859	/nfs/dbraw/zinc/72/88/59/553728859.db2.gz	UAJRWDBHLFUVEB-SBUREZEXSA-N	0	0	515.557	3.362	50	0		KGAARN
CC[C@@H](C)NC(=O)[C@H]1COC2(CCN(C(=O)c3ccc(F)cc3F)CC2)N1C(=O)c1ccc(OC)cc1	ZINC000096210045	553728901	/nfs/dbraw/zinc/72/89/01/553728901.db2.gz	UAJRWDBHLFUVEB-UZUQRXQVSA-N	0	0	515.557	3.362	50	0		KGAARN
CC[C@H](C)NC(=O)[C@H]1COC2(CCN(C(=O)c3ccc(F)cc3F)CC2)N1C(=O)c1ccc(OC)cc1	ZINC000096210046	553728815	/nfs/dbraw/zinc/72/88/15/553728815.db2.gz	UAJRWDBHLFUVEB-GAJHUEQPSA-N	0	0	515.557	3.362	50	0		KGAARN
COc1ccc(C(=O)N2CCC3(CC2)OC[C@@H](C(=O)NCc2ccco2)N3C(=O)c2ccccc2)cc1	ZINC000096210057	553728831	/nfs/dbraw/zinc/72/88/31/553728831.db2.gz	DOJFOVMVVQVHRP-DEOSSOPVSA-N	0	0	503.555	3.078	50	0		KGAARN
COc1ccc(C(=O)N2CCC3(CC2)OC[C@H](C(=O)NCc2ccco2)N3C(=O)c2ccccc2)cc1	ZINC000096210058	553728862	/nfs/dbraw/zinc/72/88/62/553728862.db2.gz	DOJFOVMVVQVHRP-XMMPIXPASA-N	0	0	503.555	3.078	50	0		KGAARN
COc1ccc(C(=O)N2CCC3(CC2)OC[C@@H](C(=O)NCc2ccccc2)N3C(=O)c2ccccc2)cc1	ZINC000096210059	553728844	/nfs/dbraw/zinc/72/88/44/553728844.db2.gz	AITUATXJDCXHPE-SANMLTNESA-N	0	0	513.594	3.485	50	0		KGAARN
COc1ccc(C(=O)N2CCC3(CC2)OC[C@H](C(=O)NCc2ccccc2)N3C(=O)c2ccccc2)cc1	ZINC000096210060	553728896	/nfs/dbraw/zinc/72/88/96/553728896.db2.gz	AITUATXJDCXHPE-AREMUKBSSA-N	0	0	513.594	3.485	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)c3ccc(OC)cc3)CC2)N(C)C(=O)N[C@@H]1c1cccc(Cl)c1	ZINC000096210284	553729355	/nfs/dbraw/zinc/72/93/55/553729355.db2.gz	XWDARZYLOSILQT-XMMPIXPASA-N	0	0	527.021	3.320	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)c3ccc(OC)cc3)CC2)N(C)C(=O)N[C@H]1c1cccc(Cl)c1	ZINC000096210285	553729398	/nfs/dbraw/zinc/72/93/98/553729398.db2.gz	XWDARZYLOSILQT-DEOSSOPVSA-N	0	0	527.021	3.320	50	0		KGAARN
COCCN(CC(=O)Nc1ccc(N2CCN(C(=O)c3cccc(F)c3)CC2)cc1)C(=O)C1CCCC1	ZINC000096210740	553729314	/nfs/dbraw/zinc/72/93/14/553729314.db2.gz	PACYECJCHVMLCG-UHFFFAOYSA-N	0	0	510.610	3.392	50	0		KGAARN
CC(C)C[C@H]1NC2(CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)N(C[C@@H]2CCCO2)C1=O	ZINC000096211134	553729866	/nfs/dbraw/zinc/72/98/66/553729866.db2.gz	JGGXDRKJFALEPQ-AZUAARDMSA-N	0	0	503.587	3.212	50	0		KGAARN
CC(C)C[C@@H]1NC2(CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)N(C[C@@H]2CCCO2)C1=O	ZINC000096211135	553729829	/nfs/dbraw/zinc/72/98/29/553729829.db2.gz	JGGXDRKJFALEPQ-ICSRJNTNSA-N	0	0	503.587	3.212	50	0		KGAARN
CC(C)C[C@H]1NC2(CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)N(C[C@H]2CCCO2)C1=O	ZINC000096211136	553729952	/nfs/dbraw/zinc/72/99/52/553729952.db2.gz	JGGXDRKJFALEPQ-UYAOXDASSA-N	0	0	503.587	3.212	50	0		KGAARN
CC(C)C[C@@H]1NC2(CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)N(C[C@H]2CCCO2)C1=O	ZINC000096211137	553729942	/nfs/dbraw/zinc/72/99/42/553729942.db2.gz	JGGXDRKJFALEPQ-QUCCMNQESA-N	0	0	503.587	3.212	50	0		KGAARN
CC(C)C[C@H]1NC2(CCN(S(=O)(=O)c3cccc(Cl)c3Cl)CC2)N(C[C@@H]2CCCO2)C1=O	ZINC000096211138	553729924	/nfs/dbraw/zinc/72/99/24/553729924.db2.gz	KOGJNKKQKOBHII-FUHWJXTLSA-N	0	0	504.480	3.500	50	0		KGAARN
CC(C)C[C@@H]1NC2(CCN(S(=O)(=O)c3cccc(Cl)c3Cl)CC2)N(C[C@@H]2CCCO2)C1=O	ZINC000096211139	553729876	/nfs/dbraw/zinc/72/98/76/553729876.db2.gz	KOGJNKKQKOBHII-WMZOPIPTSA-N	0	0	504.480	3.500	50	0		KGAARN
CC(C)C[C@H]1NC2(CCN(S(=O)(=O)c3cccc(Cl)c3Cl)CC2)N(C[C@H]2CCCO2)C1=O	ZINC000096211140	553729964	/nfs/dbraw/zinc/72/99/64/553729964.db2.gz	KOGJNKKQKOBHII-SJLPKXTDSA-N	0	0	504.480	3.500	50	0		KGAARN
CC(C)C[C@@H]1NC2(CCN(S(=O)(=O)c3cccc(Cl)c3Cl)CC2)N(C[C@H]2CCCO2)C1=O	ZINC000096211141	553729881	/nfs/dbraw/zinc/72/98/81/553729881.db2.gz	KOGJNKKQKOBHII-AEFFLSMTSA-N	0	0	504.480	3.500	50	0		KGAARN
COCCCNC(=O)[C@@H]1CN(S(=O)(=O)c2ccc(OC)cc2)C[C@@H]1c1cccc(C(F)(F)F)c1	ZINC000096211341	553729969	/nfs/dbraw/zinc/72/99/69/553729969.db2.gz	UFXBLQOHKBDGBZ-NHCUHLMSSA-N	0	0	500.539	3.271	50	0		KGAARN
COCCCNC(=O)[C@H]1CN(S(=O)(=O)c2ccc(OC)cc2)C[C@@H]1c1cccc(C(F)(F)F)c1	ZINC000096211342	553729939	/nfs/dbraw/zinc/72/99/39/553729939.db2.gz	UFXBLQOHKBDGBZ-RTWAWAEBSA-N	0	0	500.539	3.271	50	0		KGAARN
COCCN(CC(=O)N1CCCN(c2ccc(-c3cccc(OC)c3)nn2)CC1)C(=O)c1ccccc1C	ZINC000096211920	553729863	/nfs/dbraw/zinc/72/98/63/553729863.db2.gz	OVHSVTGYSDFNHG-UHFFFAOYSA-N	0	0	517.630	3.288	50	0		KGAARN
COc1cc2c(c(OC)c1OC)-c1ccc(NCC(=O)NCCC(C)C)c(=O)cc1[C@@H](NC(C)=O)CC2	ZINC000096220980	553730224	/nfs/dbraw/zinc/73/02/24/553730224.db2.gz	QSAPNUVFLUBPEL-NRFANRHFSA-N	0	0	511.619	3.437	50	0	biogenic	KGAARN
COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](C)C(=O)NCC(C)C)c(=O)cc1[C@@H](NC(C)=O)CC2	ZINC000096222018	553730994	/nfs/dbraw/zinc/73/09/94/553730994.db2.gz	DYKSDCABMLTVBX-KKSFZXQISA-N	0	0	511.619	3.436	50	0	biogenic	KGAARN
COc1cc2c(c(OC)c1OC)-c1ccc(NCCCC(=O)NC3CC3)c(=O)cc1[C@@H](NC(C)=O)CC2	ZINC000096222316	553730871	/nfs/dbraw/zinc/73/08/71/553730871.db2.gz	LVALJNFSQUPSAY-NRFANRHFSA-N	0	0	509.603	3.334	50	0	biogenic	KGAARN
COc1cc2c(c(OC)c1OC)-c1ccc(NCC(=O)NCc3ccco3)c(=O)cc1[C@@H](NC(C)=O)CC2	ZINC000096222428	553730847	/nfs/dbraw/zinc/73/08/47/553730847.db2.gz	YUUMOKSDBBAYMO-NRFANRHFSA-N	0	0	521.570	3.184	50	0	biogenic	KGAARN
COc1cc2c(c(OC)c1OC)-c1ccc(NCC(=O)NC3CCCC3)c(=O)cc1[C@@H](NC(C)=O)CC2	ZINC000096222511	553731264	/nfs/dbraw/zinc/73/12/64/553731264.db2.gz	SHBRFILAGHXRTJ-NRFANRHFSA-N	0	0	509.603	3.334	50	0	biogenic	KGAARN
COc1cc2c(c(OC)c1OC)-c1ccc(NCC(=O)Nc3nccs3)c(=O)cc1[C@@H](NC(C)=O)CC2	ZINC000096222634	553731326	/nfs/dbraw/zinc/73/13/26/553731326.db2.gz	KGFKFOBBETVZNM-SFHVURJKSA-N	0	0	524.599	3.370	50	0	biogenic	KGAARN
CCS(=O)(=O)N(CCOC)CC(=O)N(Cc1cccc(F)c1)C1CCN(C(=O)c2ccccc2C)CC1	ZINC000096247488	553731759	/nfs/dbraw/zinc/73/17/59/553731759.db2.gz	HPVWDOYXUFKBBA-UHFFFAOYSA-N	0	0	533.666	3.066	50	0		KGAARN
COc1ccc([C@@H]2SCC(=O)N(CC(=O)N3CCOCC3)c3c2c(-c2ccccc2)nn3C)cc1OC	ZINC000096279198	553736008	/nfs/dbraw/zinc/73/60/08/553736008.db2.gz	QMFYJOQPOGCMCR-SANMLTNESA-N	0	0	522.627	3.132	50	0		KGAARN
COc1ccc([C@H]2SCC(=O)N(CC(=O)N3CCOCC3)c3c2c(-c2ccccc2)nn3C)cc1OC	ZINC000096279199	553735999	/nfs/dbraw/zinc/73/59/99/553735999.db2.gz	QMFYJOQPOGCMCR-AREMUKBSSA-N	0	0	522.627	3.132	50	0		KGAARN
CCN1C2=C(C(=O)N(CCC(=O)NCCc3ccccn3)C2)[C@H](c2ccccc2C(F)(F)F)NC1=O	ZINC000096279601	553736267	/nfs/dbraw/zinc/73/62/67/553736267.db2.gz	RNRUBCPGDIUFLK-QFIPXVFZSA-N	0	0	501.509	3.032	50	0		KGAARN
CCN1C2=C(C(=O)N(CCC(=O)NCCc3ccccn3)C2)[C@@H](c2ccccc2C(F)(F)F)NC1=O	ZINC000096279602	553736314	/nfs/dbraw/zinc/73/63/14/553736314.db2.gz	RNRUBCPGDIUFLK-JOCHJYFZSA-N	0	0	501.509	3.032	50	0		KGAARN
CCC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2ccccc2F)C[C@H]1c1ccc(OC)c(OC)c1	ZINC000096279774	553736283	/nfs/dbraw/zinc/73/62/83/553736283.db2.gz	KUXFGJHRMOYFSZ-DEOSSOPVSA-N	0	0	526.609	3.091	50	0		KGAARN
CCC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2ccccc2F)C[C@@H]1c1ccc(OC)c(OC)c1	ZINC000096279775	553736282	/nfs/dbraw/zinc/73/62/82/553736282.db2.gz	KUXFGJHRMOYFSZ-XMMPIXPASA-N	0	0	526.609	3.091	50	0		KGAARN
COCCNC(=O)c1ccc(CSc2nc(COC)cc(N3CCN(c4ccccc4F)CC3)n2)o1	ZINC000096279922	553736587	/nfs/dbraw/zinc/73/65/87/553736587.db2.gz	OPLNYILJRZFDAU-UHFFFAOYSA-N	0	0	515.611	3.350	50	0		KGAARN
CC[C@@H](C)CN(CC(=O)N1CCN(c2ccc(-c3ccc(OC)c(OC)c3)nn2)CC1)C(=O)NC(C)C	ZINC000096280047	553736585	/nfs/dbraw/zinc/73/65/85/553736585.db2.gz	KODUOIVIEZOZHK-HXUWFJFHSA-N	0	0	512.655	3.276	50	0		KGAARN
CC[C@H](C)CN(CC(=O)N1CCN(c2ccc(-c3ccc(OC)c(OC)c3)nn2)CC1)C(=O)NC(C)C	ZINC000096280048	553736519	/nfs/dbraw/zinc/73/65/19/553736519.db2.gz	KODUOIVIEZOZHK-FQEVSTJZSA-N	0	0	512.655	3.276	50	0		KGAARN
CCN(CC(=O)N1CCN(c2ccc(-c3ccc(OC)c(OC)c3)nn2)CC1)C(=O)c1ccccc1C	ZINC000096280132	553736908	/nfs/dbraw/zinc/73/69/08/553736908.db2.gz	OSOWDELZUNZEQM-UHFFFAOYSA-N	0	0	503.603	3.280	50	0		KGAARN
O=C(Nc1nccnc1C(=O)NC1CCN(C(=O)c2c(F)cccc2F)CC1)c1cc(F)cc(F)c1	ZINC000096281600	553737489	/nfs/dbraw/zinc/73/74/89/553737489.db2.gz	KZFOMLIATKPTNZ-UHFFFAOYSA-N	0	0	501.440	3.320	50	0		KGAARN
O=C1C[C@H](N2CCN(C/C=C/c3ccccc3)CC2)C(=O)N1c1ccc(I)cc1	ZINC000096300828	553748800	/nfs/dbraw/zinc/74/88/00/553748800.db2.gz	AHQIAXJKUVIOBN-XBGMYJNYSA-N	0	0	501.368	3.254	50	0		KGAARN
COc1ccc(-c2noc(-c3ccc4c(c3)[nH]c(=O)n(Cc3ccc5c(c3)OCO5)c4=O)n2)cc1OC	ZINC000096320206	553751804	/nfs/dbraw/zinc/75/18/04/553751804.db2.gz	DFKYQFXVHXTLCA-UHFFFAOYSA-N	0	0	500.467	3.201	50	0		KGAARN
COc1cc(OC)cc(-c2noc(-c3ccc4c(c3)[nH]c(=O)n(Cc3ccc5c(c3)OCO5)c4=O)n2)c1	ZINC000096320207	553751830	/nfs/dbraw/zinc/75/18/30/553751830.db2.gz	GYUQDOZADVSYMO-UHFFFAOYSA-N	0	0	500.467	3.201	50	0		KGAARN
O=C(CCn1c(=O)sc2cc(S(=O)(=O)N3CCn4c5ccccc5nc43)ccc21)N1CCCCC1	ZINC000096324044	553751819	/nfs/dbraw/zinc/75/18/19/553751819.db2.gz	KAJICMYFKJCCCD-UHFFFAOYSA-N	0	0	511.629	3.024	50	0		KGAARN
O=C(CCn1c(=O)sc2cc(S(=O)(=O)Nc3ccc4c(c3)OCCO4)ccc21)N1CCCCC1	ZINC000096324078	553752094	/nfs/dbraw/zinc/75/20/94/553752094.db2.gz	BADYATJTQSPQJL-UHFFFAOYSA-N	0	0	503.602	3.038	50	0		KGAARN
O=C(CCn1c(=O)sc2cc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)ccc21)N1CCOCC1	ZINC000096324094	553752158	/nfs/dbraw/zinc/75/21/58/553752158.db2.gz	ADAUAMNMEQJBSV-UHFFFAOYSA-N	0	0	515.535	3.132	50	0		KGAARN
CCCn1c(=O)sc2cc(S(=O)(=O)N3CCN(C(=O)CCc4c[nH]c5ccccc45)CC3)ccc21	ZINC000096326875	553752102	/nfs/dbraw/zinc/75/21/02/553752102.db2.gz	DVGWFTDSDBKGGE-UHFFFAOYSA-N	0	0	512.657	3.420	50	0		KGAARN
Cc1n[nH]c(C)c1S(=O)(=O)N1CCc2c(c(CN(C(=O)c3ccccc3F)c3ccccc3)nn2C)C1	ZINC000096332339	553752040	/nfs/dbraw/zinc/75/20/40/553752040.db2.gz	HYVAKNPZKNLEPI-UHFFFAOYSA-N	0	0	522.606	3.493	50	0		KGAARN
COc1cc([C@H]2c3c(cc(C)oc3=O)O[C@H]2C(=O)Nc2cc(OC)c(OC)c(OC)c2)cc2c1OCO2	ZINC000096336045	553752563	/nfs/dbraw/zinc/75/25/63/553752563.db2.gz	HKGAAQPRUYJJQV-GBXCKJPGSA-N	0	0	511.483	3.243	50	0		KGAARN
COc1cc([C@@H]2c3c(cc(C)oc3=O)O[C@H]2C(=O)Nc2cc(OC)c(OC)c(OC)c2)cc2c1OCO2	ZINC000096336046	553752545	/nfs/dbraw/zinc/75/25/45/553752545.db2.gz	HKGAAQPRUYJJQV-HYBUGGRVSA-N	0	0	511.483	3.243	50	0		KGAARN
COc1cc([C@H]2c3c(cc(C)oc3=O)O[C@@H]2C(=O)Nc2cc(OC)c(OC)c(OC)c2)cc2c1OCO2	ZINC000096336047	553752652	/nfs/dbraw/zinc/75/26/52/553752652.db2.gz	HKGAAQPRUYJJQV-RDPSFJRHSA-N	0	0	511.483	3.243	50	0		KGAARN
COc1cc([C@@H]2c3c(cc(C)oc3=O)O[C@@H]2C(=O)Nc2cc(OC)c(OC)c(OC)c2)cc2c1OCO2	ZINC000096336048	553752541	/nfs/dbraw/zinc/75/25/41/553752541.db2.gz	HKGAAQPRUYJJQV-YKSBVNFPSA-N	0	0	511.483	3.243	50	0		KGAARN
COc1cc(/C=C2/SC(=O)N(CCNC(=O)c3cc(=O)[nH]c4ccccc43)C2=O)cc(OC)c1OC	ZINC000096398800	553753349	/nfs/dbraw/zinc/75/33/49/553753349.db2.gz	IRUFILZNVPUAIF-UDWIEESQSA-N	0	0	509.540	3.020	50	0		KGAARN
COc1ccc(/C=C2/SC(=O)N(CCNC(=O)CCS(=O)(=O)c3ccc(Cl)cc3)C2=O)cc1	ZINC000096398807	553753347	/nfs/dbraw/zinc/75/33/47/553753347.db2.gz	QYTQYDUICYNHBD-XMHGGMMESA-N	0	0	509.005	3.365	50	0		KGAARN
COc1ccc(/C=C2/SC(=O)N(CCNC(=O)COC(=O)c3cccc(Cl)c3)C2=O)cc1OC	ZINC000096400491	553753727	/nfs/dbraw/zinc/75/37/27/553753727.db2.gz	WBWGJFCFYTXPHG-YBFXNURJSA-N	0	0	504.948	3.367	50	0		KGAARN
CCOc1ccc(-c2c(C)[nH]nc2NC(=O)[C@@H]2CCCN(S(=O)(=O)N3CCCC3)C2)cc1OCC	ZINC000096400563	553753971	/nfs/dbraw/zinc/75/39/71/553753971.db2.gz	ASVSFFDQGNAUJQ-LJQANCHMSA-N	0	0	505.641	3.174	50	0		KGAARN
CCOc1ccc(-c2c(C)[nH]nc2NC(=O)[C@H]2CCCN(S(=O)(=O)N3CCCC3)C2)cc1OCC	ZINC000096400564	553753940	/nfs/dbraw/zinc/75/39/40/553753940.db2.gz	ASVSFFDQGNAUJQ-IBGZPJMESA-N	0	0	505.641	3.174	50	0		KGAARN
COc1ccc(C(=O)N2CCN(C[C@@H]3CN(C(=O)Nc4cccc(Cl)c4)CCO3)CC2)c(OC)c1	ZINC000096497205	1060005482	/nfs/dbraw/zinc/00/54/82/1060005482.db2.gz	YUGUSBFZOXUNAL-OAQYLSRUSA-N	0	0	502.999	3.048	50	0		KGAARN
COc1ccc(C(=O)N2CCN(C[C@H]3CN(C(=O)Nc4cccc(Cl)c4)CCO3)CC2)c(OC)c1	ZINC000096497206	1060005502	/nfs/dbraw/zinc/00/55/02/1060005502.db2.gz	YUGUSBFZOXUNAL-NRFANRHFSA-N	0	0	502.999	3.048	50	0		KGAARN
O=C(NCCN1CCOCC1)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1ccc(Br)cc1)N2	ZINC000096601974	553756937	/nfs/dbraw/zinc/75/69/37/553756937.db2.gz	FDTRLQGDOBHWDG-DOTOQJQBSA-N	0	0	502.335	3.368	50	0		KGAARN
O=C(NCCN1CCOCC1)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1ccc(Br)cc1)N2	ZINC000096601975	553756960	/nfs/dbraw/zinc/75/69/60/553756960.db2.gz	FDTRLQGDOBHWDG-NVXWUHKLSA-N	0	0	502.335	3.368	50	0		KGAARN
O=C(NCCN1CCOCC1)c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1ccc(Br)cc1)N2	ZINC000096601976	553756955	/nfs/dbraw/zinc/75/69/55/553756955.db2.gz	FDTRLQGDOBHWDG-RDJZCZTQSA-N	0	0	502.335	3.368	50	0		KGAARN
O=C(NCCN1CCOCC1)c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1ccc(Br)cc1)N2	ZINC000096601977	553756974	/nfs/dbraw/zinc/75/69/74/553756974.db2.gz	FDTRLQGDOBHWDG-WBVHZDCISA-N	0	0	502.335	3.368	50	0		KGAARN
COc1ccc(CCNC(=O)C(=O)N[C@@H](C)[C@@H](c2cccs2)N2CCN(Cc3ccccc3)CC2)cc1	ZINC000096793196	553757332	/nfs/dbraw/zinc/75/73/32/553757332.db2.gz	UJMYDSBRWLWYNF-CUNXSJBXSA-N	0	0	520.699	3.479	50	0		KGAARN
COc1ccc(CCNC(=O)C(=O)N[C@H](C)[C@@H](c2cccs2)N2CCN(Cc3ccccc3)CC2)cc1	ZINC000096793197	553757327	/nfs/dbraw/zinc/75/73/27/553757327.db2.gz	UJMYDSBRWLWYNF-AMGIVPHBSA-N	0	0	520.699	3.479	50	0		KGAARN
COc1ccc(CCNC(=O)C(=O)N[C@@H](C)[C@H](c2cccs2)N2CCN(Cc3ccccc3)CC2)cc1	ZINC000096793198	553757254	/nfs/dbraw/zinc/75/72/54/553757254.db2.gz	UJMYDSBRWLWYNF-WXVAWEFUSA-N	0	0	520.699	3.479	50	0		KGAARN
COc1ccc(CCNC(=O)C(=O)N[C@H](C)[C@H](c2cccs2)N2CCN(Cc3ccccc3)CC2)cc1	ZINC000096793199	553757349	/nfs/dbraw/zinc/75/73/49/553757349.db2.gz	UJMYDSBRWLWYNF-AJTFRIOCSA-N	0	0	520.699	3.479	50	0		KGAARN
COc1ccccc1CNC(=O)C(=O)N[C@@H](C)[C@@H](c1cccs1)N1CCN(Cc2ccccc2)CC1	ZINC000096793208	553757484	/nfs/dbraw/zinc/75/74/84/553757484.db2.gz	HVFGEOQYDHYKLU-LVXARBLLSA-N	0	0	506.672	3.437	50	0		KGAARN
COc1ccc(Nc2sc(C(=O)Nc3ccc(Br)cc3)c(N)c2C(=O)NCCN2CCOCC2)cc1	ZINC000096902156	553757894	/nfs/dbraw/zinc/75/78/94/553757894.db2.gz	FBAZJGOBRICQFI-JOCHJYFZSA-N	0	0	574.501	3.303	50	0		KGAARN
O=C(OCc1cc2c(cc1Br)OCCO2)[C@H]1CSCN1S(=O)(=O)c1ccccc1	ZINC000097124005	553758254	/nfs/dbraw/zinc/75/82/54/553758254.db2.gz	GMTXNGOQDZECIF-MRXNPFEDSA-N	0	0	500.392	3.027	50	0		KGAARN
O=C(OCc1cc2c(cc1Br)OCCO2)[C@@H]1CSCN1S(=O)(=O)c1ccccc1	ZINC000097124012	553758182	/nfs/dbraw/zinc/75/81/82/553758182.db2.gz	GMTXNGOQDZECIF-INIZCTEOSA-N	0	0	500.392	3.027	50	0		KGAARN
CN(C)S(=O)(=O)c1cccc(COC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3N2S(=O)(=O)c2ccccc2)c1	ZINC000097134108	553758272	/nfs/dbraw/zinc/75/82/72/553758272.db2.gz	ZKGBDWFNNWFJOG-VJBMBRPKSA-N	0	0	506.646	3.002	50	0		KGAARN
CN(C)S(=O)(=O)c1cccc(COC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3N2S(=O)(=O)c2ccccc2)c1	ZINC000097134118	553758227	/nfs/dbraw/zinc/75/82/27/553758227.db2.gz	ZKGBDWFNNWFJOG-OIBXWCBGSA-N	0	0	506.646	3.002	50	0		KGAARN
Cc1ccc(S(=O)(=O)N2CCN(C(=O)COC(=O)/C=C\c3ccc(C(F)(F)F)cc3)CC2)c(C)c1	ZINC000097654671	1060005750	/nfs/dbraw/zinc/00/57/50/1060005750.db2.gz	BVPAQTOJZBCAIX-POHAHGRESA-N	0	0	510.534	3.412	50	0		KGAARN
O=C(/C=C\c1ccccc1Cl)OCC(=O)NCCNC(=O)COC(=O)/C=C\c1ccccc1Cl	ZINC000097655762	1060005773	/nfs/dbraw/zinc/00/57/73/1060005773.db2.gz	NHNVCTAUBWFLPZ-HWAYABPNSA-N	0	0	505.354	3.039	50	0		KGAARN
O=C(/C=C/c1ccccc1Cl)OCC(=O)NCCNC(=O)COC(=O)/C=C\c1ccccc1Cl	ZINC000097655763	1060005706	/nfs/dbraw/zinc/00/57/06/1060005706.db2.gz	NHNVCTAUBWFLPZ-DSOJMZEYSA-N	0	0	505.354	3.039	50	0		KGAARN
COc1cc(C=CC(=O)OCC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)cc(OC)c1OC	ZINC000097655846	1059018234	/nfs/dbraw/zinc/01/82/34/1059018234.db2.gz	SMNDJXKYIPAXNK-GHXNOFRVSA-N	0	0	503.573	3.326	50	0		KGAARN
CN(C(=O)COC(=O)/C=C\c1cn(-c2ccccc2)nc1-c1cc2ccccc2o1)[C@@H]1CCS(=O)(=O)C1	ZINC000097656340	1060005810	/nfs/dbraw/zinc/00/58/10/1060005810.db2.gz	NZCTZFSKQFQXND-SSSWZJSRSA-N	0	0	519.579	3.487	50	0		KGAARN
CN(C(=O)COC(=O)/C=C\c1cn(-c2ccccc2)nc1-c1cc2ccccc2o1)[C@H]1CCS(=O)(=O)C1	ZINC000097656341	1059018696	/nfs/dbraw/zinc/01/86/96/1059018696.db2.gz	NZCTZFSKQFQXND-GJCOWUBNSA-N	0	0	519.579	3.487	50	0		KGAARN
O=C(/C=C\c1ccc(S(=O)(=O)NCc2ccco2)cc1)OCC(=O)Nc1nnc(-c2ccccc2)o1	ZINC000097656593	1059018485	/nfs/dbraw/zinc/01/84/85/1059018485.db2.gz	YAJCXOIHLDPUTF-RAXLEYEMSA-N	0	0	508.512	3.003	50	0		KGAARN
Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1/C=C\C(=O)OCC(=O)Nc1ccccc1OC(F)F	ZINC000097658078	1060005836	/nfs/dbraw/zinc/00/58/36/1060005836.db2.gz	JCXYBUBPGMLDLQ-FMFIFOJESA-N	0	0	503.911	3.001	50	0		KGAARN
Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1/C=C\C(=O)OCC(=O)Nc1ccccc1OC(F)F	ZINC000097658082	1060006044	/nfs/dbraw/zinc/00/60/44/1060006044.db2.gz	JCXYBUBPGMLDLQ-FWWRYZNZSA-N	0	0	503.911	3.001	50	0		KGAARN
COCCCn1c(C)cc(C(=O)COC(=O)C=Cc2c(C)nn([C@@H]3CCS(=O)(=O)C3)c2Cl)c1C	ZINC000097658161	1060006191	/nfs/dbraw/zinc/00/61/91/1060006191.db2.gz	QUFXUDQNVGIGSR-HPFMTEOYSA-N	0	0	512.028	3.099	50	0		KGAARN
COCCCn1c(C)cc(C(=O)COC(=O)C=Cc2c(C)nn([C@H]3CCS(=O)(=O)C3)c2Cl)c1C	ZINC000097658162	1059018547	/nfs/dbraw/zinc/01/85/47/1059018547.db2.gz	QUFXUDQNVGIGSR-MJRGOJFPSA-N	0	0	512.028	3.099	50	0		KGAARN
Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C=CC(=O)OCC(=O)c1ccc(Br)s1	ZINC000097658177	1059018674	/nfs/dbraw/zinc/01/86/74/1059018674.db2.gz	QFQFMVXRDSYGOT-SRMRHOMVSA-N	0	0	507.815	3.468	50	0		KGAARN
Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1C=CC(=O)OCC(=O)c1ccc(Br)s1	ZINC000097658178	1060006233	/nfs/dbraw/zinc/00/62/33/1060006233.db2.gz	QFQFMVXRDSYGOT-SROOVFNMSA-N	0	0	507.815	3.468	50	0		KGAARN
Cc1ccc(C)c(-n2nnnc2SCC(=O)NCCN2C(=O)S/C(=C/c3ccccc3F)C2=O)c1	ZINC000097658190	1060006212	/nfs/dbraw/zinc/00/62/12/1060006212.db2.gz	ZYJWIMMIMLLPCO-XDHOZWIPSA-N	0	0	512.592	3.363	50	0		KGAARN
C/C=C\c1ccc(OCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCCC2)c(OC)c1	ZINC000097664003	553759099	/nfs/dbraw/zinc/75/90/99/553759099.db2.gz	NVVBLOBQTNWYFU-UTCJRWHESA-N	0	0	515.632	3.367	50	0		KGAARN
Cc1nnnn1/C(=C/c1ccccc1)C(=O)OCC(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1	ZINC000097664365	553759142	/nfs/dbraw/zinc/75/91/42/553759142.db2.gz	PBXRYULQPFWZIM-FYJGNVAPSA-N	0	0	516.480	3.017	50	0		KGAARN
CCN(CC)c1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)/C=C\c1ccc(OC)c(OC)c1	ZINC000097674113	1060006016	/nfs/dbraw/zinc/00/60/16/1060006016.db2.gz	UQRBAWPNIAOCFH-WQLSENKSSA-N	0	0	503.621	3.223	50	0		KGAARN
COc1ccc(/C=C\C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCCCC2)cc1OC	ZINC000097674116	1060006251	/nfs/dbraw/zinc/00/62/51/1060006251.db2.gz	YKHKQXBQPFOUJV-XFFZJAGNSA-N	0	0	515.632	3.367	50	0		KGAARN
O=C(NCCN1C(=O)S/C(=C/c2ccc(F)cc2)C1=O)[C@H]1CCCCN1S(=O)(=O)c1ccccc1	ZINC000097674621	553759137	/nfs/dbraw/zinc/75/91/37/553759137.db2.gz	OZCUZGJVAUMYMN-DXAMHKDYSA-N	0	0	517.604	3.222	50	0		KGAARN
CC(C)CN(C(=O)CN(C)C(=O)C=Cc1cccc(Cl)c1Cl)c1c(N)n(CC(C)C)c(=O)[nH]c1=O	ZINC000097675866	1059021982	/nfs/dbraw/zinc/02/19/82/1059021982.db2.gz	FGTMRCDLIXOMEQ-KTKRTIGZSA-N	0	0	524.449	3.242	50	0		KGAARN
CC(C)CN(C(=O)CN(C)C(=O)C=Cc1ccc(Cl)cc1Cl)c1c(N)n(CC(C)C)c(=O)[nH]c1=O	ZINC000097675869	1059021933	/nfs/dbraw/zinc/02/19/33/1059021933.db2.gz	CWTNOCIGWQSZEY-CLFYSBASSA-N	0	0	524.449	3.242	50	0		KGAARN
CCOc1ccc(N2C[C@H](C(=O)NCCN3C(=O)S/C(=C/c4ccc(OC)cc4)C3=O)CC2=O)cc1	ZINC000097675916	553759198	/nfs/dbraw/zinc/75/91/98/553759198.db2.gz	CLEVUAJSJBMNRD-SDLXJUDFSA-N	0	0	509.584	3.300	50	0		KGAARN
CCOc1ccc(N2C[C@@H](C(=O)NCCN3C(=O)S/C(=C/c4ccc(OC)cc4)C3=O)CC2=O)cc1	ZINC000097675917	553759085	/nfs/dbraw/zinc/75/90/85/553759085.db2.gz	CLEVUAJSJBMNRD-OVBDPADQSA-N	0	0	509.584	3.300	50	0		KGAARN
COC(=O)C1=CN(CCN2C=C(C(=O)OC)C(c3ccccc3OC)C(C(=O)OC)=C2)C=C(C(=O)OC)C1c1ccccc1OC	ZINC000097939978	553762974	/nfs/dbraw/zinc/76/29/74/553762974.db2.gz	IMECVLRHZODBPY-UHFFFAOYSA-N	0	0	632.666	3.430	50	0		KGAARN
COc1ccc(C(=O)NCCNC(=O)c2ccc(OC)c(I)c2)cc1I	ZINC000097940315	553764581	/nfs/dbraw/zinc/76/45/81/553764581.db2.gz	KEYJFJORIPONPM-UHFFFAOYSA-N	0	0	580.160	3.073	50	0		KGAARN
O=C(COc1c(F)c(F)c(F)c(F)c1F)N1CCN(c2nccc(-c3ccc(N4CCOCC4)cc3)n2)CC1	ZINC000097940645	553766736	/nfs/dbraw/zinc/76/67/36/553766736.db2.gz	XDUZZDPCUYETJS-UHFFFAOYSA-N	0	0	549.500	3.403	50	0		KGAARN
COc1cc(-c2ccnc(N3CCN(S(=O)(=O)c4cc(F)c(F)cc4F)CC3)n2)cc(OC)c1OC	ZINC000097940668	553767031	/nfs/dbraw/zinc/76/70/31/553767031.db2.gz	BDSBJDYVCGHGTL-UHFFFAOYSA-N	0	0	524.521	3.098	50	0		KGAARN
COc1ccc(-c2cc3[nH]c4c(c(=O)n3n2)CN(C(=O)CCC(=O)n2nc(C)c3ccccc32)CC4)cc1	ZINC000097942134	553767970	/nfs/dbraw/zinc/76/79/70/553767970.db2.gz	QLWIDZDQZUXFCL-UHFFFAOYSA-N	0	0	510.554	3.362	50	0		KGAARN
COc1ccc(-c2cc3[nH]c4c(c(=O)n3n2)CN(C(=O)c2[nH]nc3c2CCc2cc(OC)ccc2-3)CC4)cc1	ZINC000097942138	553768015	/nfs/dbraw/zinc/76/80/15/553768015.db2.gz	SNAJJHIBBHGDLM-UHFFFAOYSA-N	0	0	522.565	3.394	50	0		KGAARN
COc1ccc(-c2cc3[nH]c4c(c(=O)n3n2)CN(C(=O)c2noc(C)c2Cc2c(C)noc2C)CC4)cc1	ZINC000097942144	553768066	/nfs/dbraw/zinc/76/80/66/553768066.db2.gz	YOJKMMUSJWPDGG-UHFFFAOYSA-N	0	0	514.542	3.389	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N4CCCCC4)o3)c(=O)n2[C@@H]1c1cc(OC)c(OC)c(OC)c1	ZINC000097944506	553769858	/nfs/dbraw/zinc/76/98/58/553769858.db2.gz	KQBZBOOFJFXKJC-GJISQHIDSA-N	0	0	567.664	3.407	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N4CCCCC4)o3)c(=O)n2[C@H]1c1cc(OC)c(OC)c(OC)c1	ZINC000097944507	553769807	/nfs/dbraw/zinc/76/98/07/553769807.db2.gz	KQBZBOOFJFXKJC-YVVITCHPSA-N	0	0	567.664	3.407	50	0		KGAARN
Cc1cc(I)ccc1NC(=S)NC(=O)c1c(I)cnn1C	ZINC000097945420	553772177	/nfs/dbraw/zinc/77/21/77/553772177.db2.gz	JOBSLLRJAXMCAF-UHFFFAOYSA-N	0	0	526.141	3.065	50	0		KGAARN
CCn1cc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(O)c(OC)c2)C(C(=O)Nc2ccccc2)=C(C)N=3)c(C)n1	ZINC000097945504	553772656	/nfs/dbraw/zinc/77/26/56/553772656.db2.gz	TZIXNOWXLXWKTG-ZDGAQAAHSA-N	0	0	529.622	3.113	50	0		KGAARN
CCn1cc(/C=c2/sc3n(c2=O)[C@H](c2ccc(O)c(OC)c2)C(C(=O)Nc2ccccc2)=C(C)N=3)c(C)n1	ZINC000097945505	553772691	/nfs/dbraw/zinc/77/26/91/553772691.db2.gz	TZIXNOWXLXWKTG-AQIZGWBQSA-N	0	0	529.622	3.113	50	0		KGAARN
COC(=O)c1c(-c2ccc(OC)cc2)csc1NC(=O)CN1CCN(S(=O)(=O)c2ccccc2)CC1	ZINC000097945506	553772753	/nfs/dbraw/zinc/77/27/53/553772753.db2.gz	NPWVEWLOBVBJBI-UHFFFAOYSA-N	0	0	529.640	3.155	50	0		KGAARN
COC(=O)c1c(-c2ccccc2)csc1NC(=O)CN1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1	ZINC000097945507	553772713	/nfs/dbraw/zinc/77/27/13/553772713.db2.gz	VTLXQIGAMPAIOW-UHFFFAOYSA-N	0	0	529.640	3.155	50	0		KGAARN
CS(=O)(=O)N1CCC[C@H](c2nnc(SCc3cc(=O)n4ccsc4n3)n2CCc2ccccc2)C1	ZINC000097945537	553772928	/nfs/dbraw/zinc/77/29/28/553772928.db2.gz	ZKLKNKJKRNDKCK-SFHVURJKSA-N	0	0	530.701	3.022	50	0		KGAARN
CS(=O)(=O)N1CCC[C@@H](c2nnc(SCc3cc(=O)n4ccsc4n3)n2CCc2ccccc2)C1	ZINC000097945538	553772923	/nfs/dbraw/zinc/77/29/23/553772923.db2.gz	ZKLKNKJKRNDKCK-GOSISDBHSA-N	0	0	530.701	3.022	50	0		KGAARN
CCOC(=O)c1c(C)c(C(C)=O)sc1NC(=O)CSc1nnc(-c2ccn(C)n2)n1C[C@@H]1CCCO1	ZINC000097945624	553773635	/nfs/dbraw/zinc/77/36/35/553773635.db2.gz	YWXMAMDJRRMQRI-HNNXBMFYSA-N	0	0	532.648	3.338	50	0		KGAARN
CCOC(=O)c1c(C)c(C(C)=O)sc1NC(=O)CSc1nnc(-c2ccn(C)n2)n1C[C@H]1CCCO1	ZINC000097945625	553773675	/nfs/dbraw/zinc/77/36/75/553773675.db2.gz	YWXMAMDJRRMQRI-OAHLLOKOSA-N	0	0	532.648	3.338	50	0		KGAARN
COCCn1c(SCC(=O)Nc2ccc(F)cc2)nnc1[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1	ZINC000097945662	553773882	/nfs/dbraw/zinc/77/38/82/553773882.db2.gz	WPORFSNXEHZMIV-GOSISDBHSA-N	0	0	533.651	3.363	50	0		KGAARN
COCCn1c(SCC(=O)Nc2ccc(F)cc2)nnc1[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1	ZINC000097945663	553773913	/nfs/dbraw/zinc/77/39/13/553773913.db2.gz	WPORFSNXEHZMIV-SFHVURJKSA-N	0	0	533.651	3.363	50	0		KGAARN
COC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)CN1CCN(S(=O)(=O)c2ccc(F)cc2)CC1	ZINC000097945725	553774374	/nfs/dbraw/zinc/77/43/74/553774374.db2.gz	REHMGUODVDRZCR-UHFFFAOYSA-N	0	0	535.594	3.425	50	0		KGAARN
COC(=O)c1ccsc1NC(=O)CSc1nc2sc(C)c(C)c2c(=O)n1CCCN1CCOCC1	ZINC000097945771	553774681	/nfs/dbraw/zinc/77/46/81/553774681.db2.gz	VUUOQUWEXLIHLB-UHFFFAOYSA-N	0	0	536.701	3.376	50	0		KGAARN
C[C@]1(C(=O)NCCNC(=O)[C@]2(C)CC2(Br)Br)CC1(Br)Br	ZINC000097945962	553775671	/nfs/dbraw/zinc/77/56/71/553775671.db2.gz	BLJJXLVFSVSRIJ-AOOOYVTPSA-N	0	0	539.888	3.011	50	0		KGAARN
COCCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)cc3OC)c(=O)n2[C@H]1c1ccc(OC(=O)c2ccco2)cc1	ZINC000097946077	553776493	/nfs/dbraw/zinc/77/64/93/553776493.db2.gz	KPFGRURTIQMVAO-BIWBSIMWSA-N	0	0	604.637	3.254	50	0		KGAARN
COCCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)cc3OC)c(=O)n2[C@@H]1c1ccc(OC(=O)c2ccco2)cc1	ZINC000097946080	553776488	/nfs/dbraw/zinc/77/64/88/553776488.db2.gz	KPFGRURTIQMVAO-ZGOFBEGVSA-N	0	0	604.637	3.254	50	0		KGAARN
COC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC)cc3OC)c(=O)n2[C@H]1c1ccc(OC(=O)c2ccco2)cc1	ZINC000097946100	553776677	/nfs/dbraw/zinc/77/66/77/553776677.db2.gz	MBQRSELVYGKCTG-ZDGAQAAHSA-N	0	0	560.584	3.238	50	0		KGAARN
COC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC)cc3OC)c(=O)n2[C@@H]1c1ccc(OC(=O)c2ccco2)cc1	ZINC000097946102	553776670	/nfs/dbraw/zinc/77/66/70/553776670.db2.gz	MBQRSELVYGKCTG-AQIZGWBQSA-N	0	0	560.584	3.238	50	0		KGAARN
COC(=O)C1=C(C)N=c2s/c(=C/c3cccc(Br)c3)c(=O)n2[C@H]1c1ccc(OC(C)=O)c(OC)c1	ZINC000097946149	553776981	/nfs/dbraw/zinc/77/69/81/553776981.db2.gz	HFUIVTCCCYGELD-WYWXSHKMSA-N	0	0	557.422	3.105	50	0		KGAARN
COC(=O)C1=C(C)N=c2s/c(=C/c3cccc(Br)c3)c(=O)n2[C@@H]1c1ccc(OC(C)=O)c(OC)c1	ZINC000097946150	553776954	/nfs/dbraw/zinc/77/69/54/553776954.db2.gz	HFUIVTCCCYGELD-JGZDWKDESA-N	0	0	557.422	3.105	50	0		KGAARN
COc1cc([C@H]2C(C(=O)OCC(C)C)=C(C)N=c3s/c(=C\c4cc(OC)c(OC)c(OC)c4)c(=O)n32)ccc1OC(C)=O	ZINC000097946245	553777617	/nfs/dbraw/zinc/77/76/17/553777617.db2.gz	NSMVCDHKAXARCM-QHZSLAKNSA-N	0	0	610.685	3.394	50	0		KGAARN
COc1cc([C@@H]2C(C(=O)OCC(C)C)=C(C)N=c3s/c(=C\c4cc(OC)c(OC)c(OC)c4)c(=O)n32)ccc1OC(C)=O	ZINC000097946246	553777684	/nfs/dbraw/zinc/77/76/84/553777684.db2.gz	NSMVCDHKAXARCM-GRXWAMFVSA-N	0	0	610.685	3.394	50	0		KGAARN
COc1cc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OC(C)=O)c(OC)c2)C(C(=O)OCC(C)C)=C(C)N=3)ccc1OC(C)=O	ZINC000097946252	553777962	/nfs/dbraw/zinc/77/79/62/553777962.db2.gz	SIBNYNBKHWKPMT-VIYYDIFJSA-N	0	0	608.669	3.302	50	0		KGAARN
COc1cc(/C=c2\sc3n(c2=O)[C@H](c2ccc(OC(C)=O)c(OC)c2)C(C(=O)OCC(C)C)=C(C)N=3)ccc1OC(C)=O	ZINC000097946253	553777883	/nfs/dbraw/zinc/77/78/83/553777883.db2.gz	SIBNYNBKHWKPMT-ALUWMOPFSA-N	0	0	608.669	3.302	50	0		KGAARN
CCOc1cc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(Cl)cc2)C(C(=O)OC)=C(C)N=3)ccc1OC(C)=O	ZINC000097946347	553778492	/nfs/dbraw/zinc/77/84/92/553778492.db2.gz	DYOPAGSQZKDGEP-VZIOXZNFSA-N	0	0	526.998	3.386	50	0		KGAARN
CCOc1cc(/C=c2\sc3n(c2=O)[C@H](c2ccc(Cl)cc2)C(C(=O)OC)=C(C)N=3)ccc1OC(C)=O	ZINC000097946348	553778701	/nfs/dbraw/zinc/77/87/01/553778701.db2.gz	DYOPAGSQZKDGEP-QCHPHUCNSA-N	0	0	526.998	3.386	50	0		KGAARN
COc1cc(/C=c2\sc3nc(=O)c(Cc4ccccc4)c(C)n3c2=O)cc(Br)c1OC(C)=O	ZINC000097947400	553785993	/nfs/dbraw/zinc/78/59/93/553785993.db2.gz	HOYHVFFKAZELOL-NDENLUEZSA-N	0	0	527.396	3.260	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)ccc3OC(C)=O)c(=O)n2[C@@H]1c1ccc(OC(C)=O)c(OC)c1	ZINC000097947627	553787622	/nfs/dbraw/zinc/78/76/22/553787622.db2.gz	KKXHDPRNCZFBDH-YXDQGSNCSA-N	0	0	629.485	3.420	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)ccc3OC(C)=O)c(=O)n2[C@H]1c1ccc(OC(C)=O)c(OC)c1	ZINC000097947628	553787643	/nfs/dbraw/zinc/78/76/43/553787643.db2.gz	KKXHDPRNCZFBDH-ITIZVALFSA-N	0	0	629.485	3.420	50	0		KGAARN
CCOc1cc(/C=c2\sc3n(c2=O)[C@@H](c2ccccc2Cl)C(C(=O)OCCOC)=C(C)N=3)ccc1OC(C)=O	ZINC000097947642	553787802	/nfs/dbraw/zinc/78/78/02/553787802.db2.gz	XYPYOBOWIQYLBQ-GJFKPFFXSA-N	0	0	571.051	3.402	50	0		KGAARN
CCOc1cc(/C=c2\sc3n(c2=O)[C@H](c2ccccc2Cl)C(C(=O)OCCOC)=C(C)N=3)ccc1OC(C)=O	ZINC000097947643	553787776	/nfs/dbraw/zinc/78/77/76/553787776.db2.gz	XYPYOBOWIQYLBQ-LWUPDDLQSA-N	0	0	571.051	3.402	50	0		KGAARN
CCCN1c2ccccc2/C(=c2/sc3n(c2=O)[C@@H](c2ccccc2Cl)C(C(=O)OCCOC)=C(C)N=3)C1=O	ZINC000097947644	553787778	/nfs/dbraw/zinc/78/77/78/553787778.db2.gz	DBERJQBRFJDNSQ-FEYWKWKCSA-N	0	0	552.052	3.205	50	0		KGAARN
CCCN1c2ccccc2/C(=c2/sc3n(c2=O)[C@H](c2ccccc2Cl)C(C(=O)OCCOC)=C(C)N=3)C1=O	ZINC000097947645	553787796	/nfs/dbraw/zinc/78/77/96/553787796.db2.gz	DBERJQBRFJDNSQ-UGUGFTGJSA-N	0	0	552.052	3.205	50	0		KGAARN
COCCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3OC(C)=O)c(=O)n2[C@H]1c1ccccc1Cl	ZINC000097947652	553787820	/nfs/dbraw/zinc/78/78/20/553787820.db2.gz	FOKBQHSJPQRBAZ-YJADQXIJSA-N	0	0	526.998	3.004	50	0		KGAARN
COCCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3OC(C)=O)c(=O)n2[C@@H]1c1ccccc1Cl	ZINC000097947653	553787832	/nfs/dbraw/zinc/78/78/32/553787832.db2.gz	FOKBQHSJPQRBAZ-XOYGFPHKSA-N	0	0	526.998	3.004	50	0		KGAARN
COC(=O)c1c(NC(=O)CN2CCN(S(=O)(=O)c3ccc(OC)cc3)CC2)sc(C)c1-c1ccccc1	ZINC000097947847	553789289	/nfs/dbraw/zinc/78/92/89/553789289.db2.gz	QWJJCGHMXUUYET-UHFFFAOYSA-N	0	0	543.667	3.464	50	0		KGAARN
COC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)CN1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1	ZINC000097947848	553789264	/nfs/dbraw/zinc/78/92/64/553789264.db2.gz	DEOXKIYLWPRIGE-UHFFFAOYSA-N	0	0	543.667	3.464	50	0		KGAARN
COC(=O)c1c(-c2ccc(OC)cc2)csc1NC(=O)CN1CCN(S(=O)(=O)c2ccc(F)cc2)CC1	ZINC000097947970	553790222	/nfs/dbraw/zinc/79/02/22/553790222.db2.gz	PEPLTCQSWWEKBG-UHFFFAOYSA-N	0	0	547.630	3.294	50	0		KGAARN
COC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)CN1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1	ZINC000097947971	553790252	/nfs/dbraw/zinc/79/02/52/553790252.db2.gz	SBRXECNSCUNCPQ-UHFFFAOYSA-N	0	0	547.630	3.294	50	0		KGAARN
CCOC(=O)C1=C(CSc2nnc(-c3ccnn3C)n2C2CC2)NC(=O)N[C@@H]1c1ccc(OC)c(COC)c1	ZINC000097948125	553791406	/nfs/dbraw/zinc/79/14/06/553791406.db2.gz	XXMFBIIVQJLTIC-JOCHJYFZSA-N	0	0	553.645	3.132	50	0		KGAARN
CCOC(=O)C1=C(CSc2nnc(-c3ccnn3C)n2C2CC2)NC(=O)N[C@H]1c1ccc(OC)c(COC)c1	ZINC000097948126	553791480	/nfs/dbraw/zinc/79/14/80/553791480.db2.gz	XXMFBIIVQJLTIC-QFIPXVFZSA-N	0	0	553.645	3.132	50	0		KGAARN
COC(=O)c1sc(NC(=O)CCCC(=O)Nc2sc(C(=O)OC)c(C)c2C(=O)OC)c(C(=O)OC)c1C	ZINC000097948135	553791529	/nfs/dbraw/zinc/79/15/29/553791529.db2.gz	KMNPLYSKNJWNJF-UHFFFAOYSA-N	0	0	554.599	3.320	50	0		KGAARN
Cc1c2c(cc(=O)n1CCCN1CCOCC1)n(CC(=O)Nc1ccccc1)n(-c1nc3ccccc3s1)c2=O	ZINC000097948226	553792272	/nfs/dbraw/zinc/79/22/72/553792272.db2.gz	YZOMITXTWNHCQD-UHFFFAOYSA-N	0	0	558.664	3.233	50	0		KGAARN
Cc1ccc(NC(=O)Cn2c3cc(=O)n(CCN4CCOCC4)c(C)c3c(=O)n2-c2nc3ccccc3s2)cc1	ZINC000097948227	553792264	/nfs/dbraw/zinc/79/22/64/553792264.db2.gz	CIWIAMLVYLZTPX-UHFFFAOYSA-N	0	0	558.664	3.151	50	0		KGAARN
COC(=O)c1c(-c2ccc(OC)cc2)csc1NC(=O)CN1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1	ZINC000097948256	553792230	/nfs/dbraw/zinc/79/22/30/553792230.db2.gz	ALPLUYRKQMLHED-UHFFFAOYSA-N	0	0	559.666	3.164	50	0		KGAARN
Cc1sc2nc(SCC(=O)Nc3sc4c(c3C(N)=O)CCC4)n(CCCN3CCOCC3)c(=O)c2c1C	ZINC000097948295	553792824	/nfs/dbraw/zinc/79/28/24/553792824.db2.gz	ZUYBNPBNYGEATG-UHFFFAOYSA-N	0	0	561.755	3.177	50	0		KGAARN
O=C(c1cccc(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)c1)N1CCN(Cc2ccc3c(c2)OCO3)CC1	ZINC000097948438	553793835	/nfs/dbraw/zinc/79/38/35/553793835.db2.gz	FZEVQVPARRRDIC-UHFFFAOYSA-N	0	0	570.646	3.060	50	0		KGAARN
Cc1cc(C)cc(NC(=O)Cn2c3cc(=O)n(CCN4CCOCC4)c(C)c3c(=O)n2-c2nc3ccccc3s2)c1	ZINC000097948472	553794185	/nfs/dbraw/zinc/79/41/85/553794185.db2.gz	MWHWANHRDFJQBQ-UHFFFAOYSA-N	0	0	572.691	3.460	50	0		KGAARN
CCOC(=O)c1sc(NC(=O)CSc2nnc(Cn3ccc(C)n3)n2C[C@@H]2CCCO2)c(C(=O)OCC)c1C	ZINC000097948513	553794429	/nfs/dbraw/zinc/79/44/29/553794429.db2.gz	BQVZGDRJJVSIKH-KRWDZBQOSA-N	0	0	576.701	3.464	50	0		KGAARN
CCOC(=O)c1sc(NC(=O)CSc2nnc(Cn3ccc(C)n3)n2C[C@H]2CCCO2)c(C(=O)OCC)c1C	ZINC000097948514	553794441	/nfs/dbraw/zinc/79/44/41/553794441.db2.gz	BQVZGDRJJVSIKH-QGZVFWFLSA-N	0	0	576.701	3.464	50	0		KGAARN
COc1ccc(NC(=O)Cn2c3cc(=O)n(CCCN4CCOCC4)c(C)c3c(=O)n2-c2nc3ccccc3s2)cc1	ZINC000097948634	553795526	/nfs/dbraw/zinc/79/55/26/553795526.db2.gz	JPMMTUVFKVNCNP-UHFFFAOYSA-N	0	0	588.690	3.242	50	0		KGAARN
COc1ccc(NC(=O)Cn2c3cc(=O)n(CCCN4CCOCC4)c(C)c3c(=O)n2-c2nc3ccccc3s2)c(OC)c1	ZINC000097948938	553797905	/nfs/dbraw/zinc/79/79/05/553797905.db2.gz	JLGKJCVXHKMPHV-UHFFFAOYSA-N	0	0	618.716	3.250	50	0		KGAARN
CCCN1c2ccccc2/C(=c2\sc3n(c2=O)[C@@H](c2ccc(OC)cc2)C(C(=O)OC(C)C)=C(C)N=3)C1=O	ZINC000097951185	553807627	/nfs/dbraw/zinc/80/76/27/553807627.db2.gz	LGEZRCIJZUAOPJ-NXLSWJSLSA-N	0	0	531.634	3.322	50	0		KGAARN
CCCN1c2ccccc2/C(=c2\sc3n(c2=O)[C@H](c2ccc(OC)cc2)C(C(=O)OC(C)C)=C(C)N=3)C1=O	ZINC000097951186	553807633	/nfs/dbraw/zinc/80/76/33/553807633.db2.gz	LGEZRCIJZUAOPJ-SBXHHDGASA-N	0	0	531.634	3.322	50	0		KGAARN
O=C(CSc1nnc(CSc2nc3ccccc3s2)n1-c1ccccc1)N1CCN(CCO)CC1	ZINC000097951412	553808871	/nfs/dbraw/zinc/80/88/71/553808871.db2.gz	AUGMPRRHLSWFQI-UHFFFAOYSA-N	0	0	526.713	3.398	50	0		KGAARN
O[C@@H](COc1ccc(Br)cc1)CN1CCN(C[C@H](O)COc2ccc(Br)cc2)CC1	ZINC000097951561	553809613	/nfs/dbraw/zinc/80/96/13/553809613.db2.gz	OCGOIOAZSKRMJB-BGYRXZFFSA-N	0	0	544.284	3.009	50	0		KGAARN
O[C@H](COc1ccc(Br)cc1)CN1CCN(C[C@H](O)COc2ccc(Br)cc2)CC1	ZINC000097951562	553809914	/nfs/dbraw/zinc/80/99/14/553809914.db2.gz	OCGOIOAZSKRMJB-PMACEKPBSA-N	0	0	544.284	3.009	50	0		KGAARN
O[C@@H](COc1ccc(Br)cc1)CN1CCN(C[C@@H](O)COc2ccc(Br)cc2)CC1	ZINC000097951563	553809917	/nfs/dbraw/zinc/80/99/17/553809917.db2.gz	OCGOIOAZSKRMJB-WOJBJXKFSA-N	0	0	544.284	3.009	50	0		KGAARN
COc1ccc(Nc2nnc(-c3ccc(C)c(S(=O)(=O)N4CCN(C)CC4)c3)c3ccccc32)cc1C(N)=O	ZINC000097951574	553809884	/nfs/dbraw/zinc/80/98/84/553809884.db2.gz	RJXYTSUSZDYPAO-UHFFFAOYSA-N	0	0	546.653	3.392	50	0		KGAARN
Cc1ccc(-c2nnc(Nc3ccc(S(N)(=O)=O)cc3)c3ccccc32)cc1S(=O)(=O)NC(C)(C)CO	ZINC000097951585	553809923	/nfs/dbraw/zinc/80/99/23/553809923.db2.gz	ITQAVBNFIDRIBE-UHFFFAOYSA-N	0	0	541.655	3.045	50	0		KGAARN
Cc1ccc(-c2nnc(Nc3ccc(OCC(N)=O)cc3)c3ccccc32)cc1S(=O)(=O)N1CCN(C)CC1	ZINC000097951631	553810184	/nfs/dbraw/zinc/81/01/84/553810184.db2.gz	PFBXZWHTZUEXDF-UHFFFAOYSA-N	0	0	546.653	3.149	50	0		KGAARN
Cc1ccc(-c2nnc(Nc3ccc(CC(N)=O)cc3)c3ccccc32)cc1S(=O)(=O)N1CCN(C)CC1	ZINC000097951682	553810572	/nfs/dbraw/zinc/81/05/72/553810572.db2.gz	YQFCWPSMARHLJD-UHFFFAOYSA-N	0	0	530.654	3.313	50	0		KGAARN
O=C(NCCN1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1)C(=O)Nc1ccc(Br)cc1	ZINC000097951734	553810909	/nfs/dbraw/zinc/81/09/09/553810909.db2.gz	RMRSEVRQGJQOQH-UHFFFAOYSA-N	0	0	528.234	3.269	50	0		KGAARN
O=C(COc1ccc(Br)cc1)Nc1sc2c(c1C(=O)N[C@@H]1CCS(=O)(=O)C1)CCCC2	ZINC000097951785	553811462	/nfs/dbraw/zinc/81/14/62/553811462.db2.gz	FZLQEPQDWOBVRU-CQSZACIVSA-N	0	0	527.462	3.324	50	0		KGAARN
O=C(COc1ccc(Br)cc1)Nc1sc2c(c1C(=O)N[C@H]1CCS(=O)(=O)C1)CCCC2	ZINC000097951786	553811433	/nfs/dbraw/zinc/81/14/33/553811433.db2.gz	FZLQEPQDWOBVRU-AWEZNQCLSA-N	0	0	527.462	3.324	50	0		KGAARN
CN1CCc2c(sc3c2c(=O)n(-c2cccc(Cl)c2)c2nnc(SCC(=O)NC[C@@H]4CCCO4)n23)C1	ZINC000097954549	553823848	/nfs/dbraw/zinc/82/38/48/553823848.db2.gz	XHQGYAKOJCPBLS-INIZCTEOSA-N	0	0	545.090	3.124	50	0		KGAARN
CN1CCc2c(sc3c2c(=O)n(-c2cccc(Cl)c2)c2nnc(SCC(=O)NC[C@H]4CCCO4)n23)C1	ZINC000097954550	553824200	/nfs/dbraw/zinc/82/42/00/553824200.db2.gz	XHQGYAKOJCPBLS-MRXNPFEDSA-N	0	0	545.090	3.124	50	0		KGAARN
Cc1noc(/C=C/c2ccc(C)cc2)c1S(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc(S(N)(=O)=O)cc2)C1	ZINC000097955516	553830980	/nfs/dbraw/zinc/83/09/80/553830980.db2.gz	DPHIMUCYMVHWGW-PCLFDXGNSA-N	0	0	544.655	3.149	50	0		KGAARN
Cc1noc(/C=C/c2ccc(C)cc2)c1S(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc(S(N)(=O)=O)cc2)C1	ZINC000097955517	553830951	/nfs/dbraw/zinc/83/09/51/553830951.db2.gz	DPHIMUCYMVHWGW-CBHXRGPZSA-N	0	0	544.655	3.149	50	0		KGAARN
Cc1noc(/C=C/c2ccc(C)cc2)c1S(=O)(=O)N1CCC[C@H](C(=O)N2CCN(c3ncccn3)CC2)C1	ZINC000097955524	553830994	/nfs/dbraw/zinc/83/09/94/553830994.db2.gz	OIBOMNSTETWKBO-YSESTWPTSA-N	0	0	536.658	3.001	50	0		KGAARN
Cc1noc(/C=C/c2ccc(C)cc2)c1S(=O)(=O)N1CCC[C@@H](C(=O)N2CCN(c3ncccn3)CC2)C1	ZINC000097955525	553831019	/nfs/dbraw/zinc/83/10/19/553831019.db2.gz	OIBOMNSTETWKBO-BREAQWACSA-N	0	0	536.658	3.001	50	0		KGAARN
Cc1noc(/C=C/c2ccccc2F)c1S(=O)(=O)N1CCC[C@H](C(=O)N2CCN(c3ccccn3)CC2)C1	ZINC000097955536	553830956	/nfs/dbraw/zinc/83/09/56/553830956.db2.gz	DZHDQXHXLMQEGD-LEQVUBRHSA-N	0	0	539.633	3.437	50	0		KGAARN
Cc1noc(/C=C/c2ccccc2F)c1S(=O)(=O)N1CCC[C@@H](C(=O)N2CCN(c3ccccn3)CC2)C1	ZINC000097955537	553830915	/nfs/dbraw/zinc/83/09/15/553830915.db2.gz	DZHDQXHXLMQEGD-VDZCTEQFSA-N	0	0	539.633	3.437	50	0		KGAARN
CCS(=O)(=O)N(CCOC)CC(=O)N(Cc1cccc(F)c1)C1CCN(C(=O)/C=C/c2ccccc2)CC1	ZINC000097955934	553835233	/nfs/dbraw/zinc/83/52/33/553835233.db2.gz	STOVHXRUGVOKJN-OUKQBFOZSA-N	0	0	545.677	3.157	50	0		KGAARN
O=C(/C=C/c1ccccc1)Nc1ccc(N2CCN(c3ccccc3F)CC2)c(S(=O)(=O)NCCN2CCOCC2)c1	ZINC000097956140	553836269	/nfs/dbraw/zinc/83/62/69/553836269.db2.gz	MMDRFOLVYGAJLX-JLHYYAGUSA-N	0	0	593.725	3.415	50	0		KGAARN
CCNC(=O)N1CCN(c2cc(Cl)nc(SCC(=O)N3CCN(C/C=C/c4ccccc4)CC3)n2)C[C@@H]1C	ZINC000097956157	553836324	/nfs/dbraw/zinc/83/63/24/553836324.db2.gz	ZCPMVTJCCYLOLQ-CLNPQZTCSA-N	0	0	558.152	3.320	50	0		KGAARN
CCNC(=O)N1CCN(c2cc(Cl)nc(SCC(=O)N3CCN(C/C=C/c4ccccc4)CC3)n2)C[C@H]1C	ZINC000097956158	553836371	/nfs/dbraw/zinc/83/63/71/553836371.db2.gz	ZCPMVTJCCYLOLQ-TYOLEZHBSA-N	0	0	558.152	3.320	50	0		KGAARN
O=C(c1cccc(/C=C2\SC(=O)N(Cc3cccc(F)c3)C2=O)c1)N1CCN(CCN2CCOCC2)CC1	ZINC000097956305	553837639	/nfs/dbraw/zinc/83/76/39/553837639.db2.gz	TVBYLOHUYIMYNM-PLRJNAJWSA-N	0	0	538.645	3.152	50	0		KGAARN
CC(C)NC(=O)CN1CCN(C(=O)c2cccc(/C=C3\SC(=O)N(Cc4ccc(F)cc4F)C3=O)c2)CC1	ZINC000097956307	553837674	/nfs/dbraw/zinc/83/76/74/553837674.db2.gz	YMBRWNGZGPNWBQ-QRVIBDJDSA-N	0	0	542.608	3.484	50	0		KGAARN
O=C(c1ccc(/C=C2\SC(=O)N(Cc3c(F)cccc3F)C2=O)cc1)N1CCN(CCN2CCOCC2)CC1	ZINC000097956327	553837627	/nfs/dbraw/zinc/83/76/27/553837627.db2.gz	DDEYWOSOPIZWRR-BWAHOGKJSA-N	0	0	556.635	3.291	50	0		KGAARN
O=C(c1ccc(/C=C2\SC(=O)N(Cc3ccc(F)c(F)c3)C2=O)cc1)N1CCN(CCN2CCOCC2)CC1	ZINC000097956379	553838531	/nfs/dbraw/zinc/83/85/31/553838531.db2.gz	IJFCXELFEZPDLT-BWAHOGKJSA-N	0	0	556.635	3.291	50	0		KGAARN
CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)N3CCc4cc(OC)c(OC)cc4C3)o2)c1	ZINC000097956766	553841522	/nfs/dbraw/zinc/84/15/22/553841522.db2.gz	FONNRWLFMIKXCD-UHFFFAOYSA-N	0	0	546.671	3.461	50	0		KGAARN
Cn1c2nc(N3CCC(Cc4ccccc4)CC3)n(CCCSc3nnnn3-c3ccccc3)c2c(=O)[nH]c1=O	ZINC000097957075	553844254	/nfs/dbraw/zinc/84/42/54/553844254.db2.gz	GMXQPZKNYIESCO-UHFFFAOYSA-N	0	0	557.684	3.041	50	0		KGAARN
Cc1cccc(C)c1-n1nnnc1[C@H](c1ccc(Cl)cc1Cl)N1C[C@@]23C=C[C@@H](O2)[C@H](C(=O)N2CCOCC2)[C@@H]3C1=O	ZINC000097957175	553844826	/nfs/dbraw/zinc/84/48/26/553844826.db2.gz	ADJWRFBQDAZQJA-USBJVFBQSA-N	0	0	595.487	3.316	50	0		KGAARN
COc1ccc(CC(=O)NCc2nnc(SCC(=O)Nc3nnc(C)s3)n2-c2ccccc2OC)cc1	ZINC000097957483	553846027	/nfs/dbraw/zinc/84/60/27/553846027.db2.gz	LPOOBGSPHOGJMI-UHFFFAOYSA-N	0	0	539.643	3.034	50	0		KGAARN
COc1ccc(CC(=O)NCc2nnc(SCC(=O)Nc3nnc(C)s3)n2-c2ccc(F)cc2)cc1	ZINC000097957484	553846013	/nfs/dbraw/zinc/84/60/13/553846013.db2.gz	OEYKIXDMHDAWJO-UHFFFAOYSA-N	0	0	527.607	3.165	50	0		KGAARN
CCOC(=O)c1nn(-c2cccc(F)c2)c(=O)c2c1csc2NC(=O)c1ccc(S(=O)(=O)N(C)C)cc1	ZINC000097958223	553852445	/nfs/dbraw/zinc/85/24/45/553852445.db2.gz	ABABUGGMABCJCB-UHFFFAOYSA-N	0	0	544.586	3.266	50	0		KGAARN
CCOC(=O)c1nn(-c2cccc(F)c2)c(=O)c2c1csc2NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1	ZINC000097958227	553852452	/nfs/dbraw/zinc/85/24/52/553852452.db2.gz	AIVPSHQJYFFOAV-UHFFFAOYSA-N	0	0	586.623	3.036	50	0		KGAARN
COc1ccc(-n2c(SCC(=O)Nc3ccc(S(N)(=O)=O)cc3)nnc2-c2cccc(OC)c2)cc1	ZINC000097958335	553853315	/nfs/dbraw/zinc/85/33/15/553853315.db2.gz	TYYPMQALGDYCSM-UHFFFAOYSA-N	0	0	525.612	3.330	50	0		KGAARN
CC1=C(C(=O)Nc2ccccc2)[C@H](c2cccs2)n2c(=O)/c(=C/c3ccc(N4CCN(C)CC4)o3)sc2=N1	ZINC000097958629	553856456	/nfs/dbraw/zinc/85/64/56/553856456.db2.gz	GTZRNRGODSMGES-BDPRQDHOSA-N	0	0	545.690	3.280	50	0		KGAARN
CC1=C(C(=O)Nc2ccccc2)[C@@H](c2cccs2)n2c(=O)/c(=C/c3ccc(N4CCN(C)CC4)o3)sc2=N1	ZINC000097958630	553856526	/nfs/dbraw/zinc/85/65/26/553856526.db2.gz	GTZRNRGODSMGES-YPKVGQCMSA-N	0	0	545.690	3.280	50	0		KGAARN
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)c(OC)c(OC)c3)c(=O)n2[C@@H]1c1cc(OC)ccc1OC	ZINC000097959663	553865137	/nfs/dbraw/zinc/86/51/37/553865137.db2.gz	QRFUKABBSMKAAZ-LMSRTUJASA-N	0	0	581.691	3.147	50	0		KGAARN
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)c(OC)c(OC)c3)c(=O)n2[C@H]1c1cc(OC)ccc1OC	ZINC000097959664	553865188	/nfs/dbraw/zinc/86/51/88/553865188.db2.gz	QRFUKABBSMKAAZ-RISWYLRJSA-N	0	0	581.691	3.147	50	0		KGAARN
CCOc1cc(/C=C2\SC(=O)N(CC(=O)N3CCOCC3)C2=O)ccc1OCC(=O)Nc1ccccc1C	ZINC000097959758	553866187	/nfs/dbraw/zinc/86/61/87/553866187.db2.gz	IZSKFBFYGNFXJY-HAHDFKILSA-N	0	0	539.610	3.306	50	0		KGAARN
O=C(Nc1nc2ccccc2n1CCN1CCOCC1)C12C[C@H]3C[C@@H](C1)CC(n1cnc(Br)n1)(C3)C2	ZINC000097959860	553866821	/nfs/dbraw/zinc/86/68/21/553866821.db2.gz	HCFJPQOJYUWWNB-GBXBDOIYSA-N	0	0	554.493	3.657	50	0		KGAARN
O=C(CN1C(=O)N/C(=C\c2cc(Br)c(I)o2)C1=O)Nc1ccccc1F	ZINC000097960206	553869268	/nfs/dbraw/zinc/86/92/68/553869268.db2.gz	COICVQHFDPPTKN-SDQBBNPISA-N	0	0	534.079	3.317	50	0		KGAARN
O=C(OCCN1C(=O)c2cccc3c(N4CCOCC4)ccc(c32)C1=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1	ZINC000097961159	553875730	/nfs/dbraw/zinc/87/57/30/553875730.db2.gz	ZHCOUUQNXZJVLL-UHFFFAOYSA-N	0	0	577.659	3.304	50	0		KGAARN
COCCC(CCOC)S(=O)(=O)c1ccc(C(=O)Nc2nc3ccc(S(C)(=O)=O)cc3s2)cc1	ZINC000097961267	553876619	/nfs/dbraw/zinc/87/66/19/553876619.db2.gz	APEBGMDUIBEYQQ-UHFFFAOYSA-N	0	0	526.658	3.167	50	0		KGAARN
CCOC(=O)c1ccc(NC(=O)CSc2nnc(NC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)s2)cc1	ZINC000097961323	553876892	/nfs/dbraw/zinc/87/68/92/553876892.db2.gz	WLIZFVDVUKLFEB-UHFFFAOYSA-N	0	0	575.694	3.482	50	0		KGAARN
COc1ccc(NC(=O)CSc2nnc(NC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)s2)cc1	ZINC000097961324	553876915	/nfs/dbraw/zinc/87/69/15/553876915.db2.gz	YWGKTIZEQHVKHI-UHFFFAOYSA-N	0	0	533.657	3.314	50	0		KGAARN
O=C(CSc1nnc(NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)s1)Nc1ccc(F)cc1	ZINC000097961343	553877155	/nfs/dbraw/zinc/87/71/55/553877155.db2.gz	QKOZPDHYLCBKLE-UHFFFAOYSA-N	0	0	521.621	3.445	50	0		KGAARN
O=C(CSc1nnc(NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)s1)Nc1ccccc1F	ZINC000097961346	553877199	/nfs/dbraw/zinc/87/71/99/553877199.db2.gz	SCVJTYQZJUTFHW-UHFFFAOYSA-N	0	0	521.621	3.445	50	0		KGAARN
O=C(CSc1nnc(NC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)s1)Nc1nccs1	ZINC000097961363	553877409	/nfs/dbraw/zinc/87/74/09/553877409.db2.gz	LQTOJGQNKZOHFZ-UHFFFAOYSA-N	0	0	524.675	3.152	50	0		KGAARN
O=C(CSc1nnc(NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)s1)N1CCc2ccccc21	ZINC000097961369	553877397	/nfs/dbraw/zinc/87/73/97/553877397.db2.gz	VCVOKKYJRDAELE-UHFFFAOYSA-N	0	0	529.669	3.256	50	0		KGAARN
COc1cc(OC)cc(C(=O)NCc2nnc(SCC(=O)Nc3nccs3)n2-c2ccccc2OC)c1	ZINC000097961582	553879211	/nfs/dbraw/zinc/87/92/11/553879211.db2.gz	REYROEJEQWIEEB-UHFFFAOYSA-N	0	0	540.627	3.410	50	0		KGAARN
CN(C)S(=O)(=O)c1ccc(C(=O)NCc2nnc(SCC(=O)N3CCc4ccccc43)n2-c2ccccc2)cc1	ZINC000097961640	553879790	/nfs/dbraw/zinc/87/97/90/553879790.db2.gz	XHKPGCPCGCHNLO-UHFFFAOYSA-N	0	0	576.704	3.129	50	0		KGAARN
COc1ccccc1-n1c(CNC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)nnc1SCC(=O)Nc1ccccc1F	ZINC000097961641	553879750	/nfs/dbraw/zinc/87/97/50/553879750.db2.gz	FTHQOSCBNBPMNO-UHFFFAOYSA-N	0	0	598.682	3.326	50	0		KGAARN
CN(C)S(=O)(=O)c1ccc(C(=O)NCc2nnc(SCC(=O)N3CCc4ccccc43)n2-c2ccc(F)cc2)cc1	ZINC000097961643	553879761	/nfs/dbraw/zinc/87/97/61/553879761.db2.gz	CGHKZQDDLMMCPJ-UHFFFAOYSA-N	0	0	594.694	3.268	50	0		KGAARN
Cc1nnc(NC(=O)CSc2nnc(NC(=O)c3ccccc3I)s2)s1	ZINC000097961681	553880053	/nfs/dbraw/zinc/88/00/53/553880053.db2.gz	UOVFQYBEKBEPNT-UHFFFAOYSA-N	0	0	518.387	3.286	50	0		KGAARN
COc1ccccc1-c1nnc(NC(=O)CSc2nnc(NC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)s2)s1	ZINC000097961694	553879991	/nfs/dbraw/zinc/87/99/91/553879991.db2.gz	GGAJDFQYIPYUEV-UHFFFAOYSA-N	0	0	591.722	3.299	50	0		KGAARN
CCSc1nnc(NC(=O)CSc2nnc(NC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)s2)s1	ZINC000097961697	553880330	/nfs/dbraw/zinc/88/03/30/553880330.db2.gz	KAGAHJODEZIFET-UHFFFAOYSA-N	0	0	571.757	3.269	50	0		KGAARN
CCOC(=O)N1CCN(C(=O)CSc2nc3c(c(=O)n2-c2ccc(Br)cc2)SCC3)CC1	ZINC000097961703	553880346	/nfs/dbraw/zinc/88/03/46/553880346.db2.gz	GXFUOVLAJCUZOQ-UHFFFAOYSA-N	0	0	539.477	3.036	50	0		KGAARN
CCOc1cc(/C=C2\SC(=O)N(CC(=O)N3CCCC3)C2=O)cc(Br)c1OCC(=O)OC	ZINC000097962197	553883594	/nfs/dbraw/zinc/88/35/94/553883594.db2.gz	LMGXJGMGXHTHTQ-YBEGLDIGSA-N	0	0	527.393	3.058	50	0		KGAARN
CCOc1cc(/C=C2\SC(=O)N(CC(=O)N3CCOCC3)C2=O)ccc1Oc1nc(Cl)ncc1F	ZINC000097962226	553883898	/nfs/dbraw/zinc/88/38/98/553883898.db2.gz	BKWJKKQBLWZMSW-LICLKQGHSA-N	0	0	522.942	3.355	50	0		KGAARN
CCCN1c2ccccc2/C(=c2/sc3n(c2=O)[C@@H](c2ccc(OC(C)=O)c(OC)c2)C(C(=O)OCC(C)C)=C(C)N=3)C1=O	ZINC000097962762	553885387	/nfs/dbraw/zinc/88/53/87/553885387.db2.gz	PZZKOKRRCRGMAD-UYUFHXMSSA-N	0	0	603.697	3.495	50	0		KGAARN
CCCN1c2ccccc2/C(=c2/sc3n(c2=O)[C@H](c2ccc(OC(C)=O)c(OC)c2)C(C(=O)OCC(C)C)=C(C)N=3)C1=O	ZINC000097962763	553885424	/nfs/dbraw/zinc/88/54/24/553885424.db2.gz	PZZKOKRRCRGMAD-IECPXTFPSA-N	0	0	603.697	3.495	50	0		KGAARN
CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(N4CCN(C)CC4)o3)c(=O)n2[C@@H]1c1ccc(OC)cc1	ZINC000097962801	553885743	/nfs/dbraw/zinc/88/57/43/553885743.db2.gz	UKMVSYFIXMEVOT-PDRCNJOPSA-N	0	0	584.698	3.289	50	0		KGAARN
CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(N4CCN(C)CC4)o3)c(=O)n2[C@H]1c1ccc(OC)cc1	ZINC000097962802	553885631	/nfs/dbraw/zinc/88/56/31/553885631.db2.gz	UKMVSYFIXMEVOT-NZIPGPCDSA-N	0	0	584.698	3.289	50	0		KGAARN
O=C(Nc1ccc(S(=O)(=O)N2CCCC[C@H]2c2cccnc2)cc1)c1ccc(S(=O)(=O)N2CCOCC2)cc1	ZINC000097963345	553888908	/nfs/dbraw/zinc/88/89/08/553888908.db2.gz	WTKGNDCNZXYTQQ-SANMLTNESA-N	0	0	570.693	3.271	50	0		KGAARN
O=C(Nc1ccc(S(=O)(=O)N2CCCC[C@@H]2c2cccnc2)cc1)c1ccc(S(=O)(=O)N2CCOCC2)cc1	ZINC000097963346	553888933	/nfs/dbraw/zinc/88/89/33/553888933.db2.gz	WTKGNDCNZXYTQQ-AREMUKBSSA-N	0	0	570.693	3.271	50	0		KGAARN
CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3C[C@@H](C)O[C@@H](C)C3)cc2)sc2c1CCN(CC)C2	ZINC000097963396	553889634	/nfs/dbraw/zinc/88/96/34/553889634.db2.gz	OIBGZFXVUVZNNT-CALCHBBNSA-N	0	0	535.688	3.353	50	0		KGAARN
CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)sc2c1CCN(CC)C2	ZINC000097963397	553889822	/nfs/dbraw/zinc/88/98/22/553889822.db2.gz	OIBGZFXVUVZNNT-IAGOWNOFSA-N	0	0	535.688	3.353	50	0		KGAARN
CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3CCN(C(=O)OCC)CC3)cc2)sc2c1CCN(CC)C2	ZINC000097963398	553889646	/nfs/dbraw/zinc/88/96/46/553889646.db2.gz	WZGNOOHNXJERLI-UHFFFAOYSA-N	0	0	578.713	3.018	50	0		KGAARN
CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3CCN(C(=O)OCC)CC3)cc2)sc2c1CCN(C(C)C)C2	ZINC000097963422	553890130	/nfs/dbraw/zinc/89/01/30/553890130.db2.gz	USKFCOOWLKKDLE-UHFFFAOYSA-N	0	0	592.740	3.406	50	0		KGAARN
CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N(CCOC)CCOC)cc2)sc2c1CCN(C(C)C)C2	ZINC000097963424	553890153	/nfs/dbraw/zinc/89/01/53/553890153.db2.gz	HWZWYVTZDIUQBH-UHFFFAOYSA-N	0	0	567.730	3.227	50	0		KGAARN
COC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)sc2c1CCN(Cc1ccccc1)C2	ZINC000097963448	553890224	/nfs/dbraw/zinc/89/02/24/553890224.db2.gz	RZMKIKOFLCPFKJ-UHFFFAOYSA-N	0	0	555.678	3.366	50	0		KGAARN
C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)Nc3sc4c(c3C(N)=O)CCN(Cc3ccccc3)C4)cc2)C[C@H](C)O1	ZINC000097963482	553890948	/nfs/dbraw/zinc/89/09/48/553890948.db2.gz	BZCJKXSMWICACX-KDURUIRLSA-N	0	0	568.721	3.456	50	0		KGAARN
C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)Nc3sc4c(c3C(N)=O)CCN(Cc3ccccc3)C4)cc2)C[C@H](C)O1	ZINC000097963483	553890981	/nfs/dbraw/zinc/89/09/81/553890981.db2.gz	BZCJKXSMWICACX-OALUTQOASA-N	0	0	568.721	3.456	50	0		KGAARN
C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)Nc3sc4c(c3C(N)=O)CCN(Cc3ccccc3)C4)cc2)C[C@@H](C)O1	ZINC000097963484	553890938	/nfs/dbraw/zinc/89/09/38/553890938.db2.gz	BZCJKXSMWICACX-RTBURBONSA-N	0	0	568.721	3.456	50	0		KGAARN
CCOC(=O)N1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4CCCCC4)cc3)c2C(=O)OC)C1	ZINC000097963518	553891490	/nfs/dbraw/zinc/89/14/90/553891490.db2.gz	KZMWRBPADQHTSX-UHFFFAOYSA-N	0	0	535.644	3.476	50	0		KGAARN
CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)sc2c1CCN(C(=O)OCC)C2	ZINC000097963541	553891481	/nfs/dbraw/zinc/89/14/81/553891481.db2.gz	DTPZADRDCDNEDU-UHFFFAOYSA-N	0	0	535.644	3.476	50	0		KGAARN
CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3C[C@@H](C)O[C@@H](C)C3)cc2)sc2c1CCN(C(=O)OCC)C2	ZINC000097963551	553891809	/nfs/dbraw/zinc/89/18/09/553891809.db2.gz	HAIKFTPCOBMHGO-CALCHBBNSA-N	0	0	579.697	3.490	50	0		KGAARN
CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)sc2c1CCN(C(=O)OCC)C2	ZINC000097963552	553891676	/nfs/dbraw/zinc/89/16/76/553891676.db2.gz	HAIKFTPCOBMHGO-IAGOWNOFSA-N	0	0	579.697	3.490	50	0		KGAARN
CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)sc2c1CCN(C(=O)OCC)C2	ZINC000097963553	553891683	/nfs/dbraw/zinc/89/16/83/553891683.db2.gz	HAIKFTPCOBMHGO-IRXDYDNUSA-N	0	0	579.697	3.490	50	0		KGAARN
CCOC(=O)N1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4CCC[C@H](C)C4)cc3)c2C(N)=O)C1	ZINC000097963565	553891745	/nfs/dbraw/zinc/89/17/45/553891745.db2.gz	YAQDKDZBXDCZMV-HNNXBMFYSA-N	0	0	534.660	3.035	50	0		KGAARN
CCOC(=O)N1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4CCC[C@@H](C)C4)cc3)c2C(N)=O)C1	ZINC000097963566	553891648	/nfs/dbraw/zinc/89/16/48/553891648.db2.gz	YAQDKDZBXDCZMV-OAHLLOKOSA-N	0	0	534.660	3.035	50	0		KGAARN
CCOC(=O)N1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N(CC)CC)cc3)c2C(=O)N2CCOCC2)C1	ZINC000097963568	553891724	/nfs/dbraw/zinc/89/17/24/553891724.db2.gz	MWABVDHVWNLCOX-UHFFFAOYSA-N	0	0	578.713	3.018	50	0		KGAARN
CCCCN(C)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C(=O)N2CCOCC2)CCN(C(=O)OCC)C3)cc1	ZINC000097963569	553891641	/nfs/dbraw/zinc/89/16/41/553891641.db2.gz	LVDZGUFFVMTSMW-UHFFFAOYSA-N	0	0	592.740	3.408	50	0		KGAARN
CCOC(=O)N1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4CCCCC4)cc3)c2C(=O)N2CCOCC2)C1	ZINC000097963571	553891762	/nfs/dbraw/zinc/89/17/62/553891762.db2.gz	LTUBJSYBNHZSAM-UHFFFAOYSA-N	0	0	590.724	3.162	50	0		KGAARN
CCOC(=O)N1CCN(C(=O)COc2cccc3c2CCN(Cc2ccc(Br)cc2)C3=O)CC1	ZINC000097963793	553894221	/nfs/dbraw/zinc/89/42/21/553894221.db2.gz	HUQSFMDEYBCDNV-UHFFFAOYSA-N	0	0	530.419	3.327	50	0		KGAARN
CCOC(=O)N1CCN(C(=O)CSCC(=O)Nc2nc(-c3ccc(I)cc3)cs2)CC1	ZINC000097963807	553894252	/nfs/dbraw/zinc/89/42/52/553894252.db2.gz	XQYPVSKXXMFBFW-UHFFFAOYSA-N	0	0	574.466	3.387	50	0		KGAARN
CCOc1cc(-c2nnc(NC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)o2)cc(OCC)c1OCC	ZINC000097963844	553894569	/nfs/dbraw/zinc/89/45/69/553894569.db2.gz	LIYIVJSVEQEOCV-UHFFFAOYSA-N	0	0	546.602	3.206	50	0		KGAARN
CCOc1cc(-c2nnc(NC(=O)c3ccc(S(=O)(=O)N(CCOC)CCOC)cc3)o2)cc(OCC)c1OCC	ZINC000097963847	553894780	/nfs/dbraw/zinc/89/47/80/553894780.db2.gz	POHVDFQVZFUKIC-UHFFFAOYSA-N	0	0	592.671	3.469	50	0		KGAARN
CCOC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)Nc3nnc(-c4ccc(Cl)s4)o3)cc2)CC1	ZINC000097963854	553894789	/nfs/dbraw/zinc/89/47/89/553894789.db2.gz	LRKPOUGQXLBWDO-UHFFFAOYSA-N	0	0	525.996	3.167	50	0		KGAARN
CC[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C(=O)NC)CCN(C(C)=O)C3)cc1	ZINC000097963858	553894807	/nfs/dbraw/zinc/89/48/07/553894807.db2.gz	NKUSRZKLLDVHMO-GOSISDBHSA-N	0	0	532.688	3.218	50	0		KGAARN
CC[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C(=O)NC)CCN(C(C)=O)C3)cc1	ZINC000097963859	553894803	/nfs/dbraw/zinc/89/48/03/553894803.db2.gz	NKUSRZKLLDVHMO-SFHVURJKSA-N	0	0	532.688	3.218	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(O)cc3)c(=O)n2[C@@H]1c1cc(OC)c(OC)cc1Br	ZINC000097966101	553907081	/nfs/dbraw/zinc/90/70/81/553907081.db2.gz	FOYKNLAJPADWLF-BJJGPXNVSA-N	0	0	559.438	3.284	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(O)cc3)c(=O)n2[C@H]1c1cc(OC)c(OC)cc1Br	ZINC000097966102	553906981	/nfs/dbraw/zinc/90/69/81/553906981.db2.gz	FOYKNLAJPADWLF-IOKRJLGCSA-N	0	0	559.438	3.284	50	0		KGAARN
C/C(Cl)=C/Cn1c(SCCCCSc2nc3c(c(=O)[nH]c(=O)n3C)n2C/C=C(/C)Cl)nc2c1c(=O)[nH]c(=O)n2C	ZINC000097966242	553907873	/nfs/dbraw/zinc/90/78/73/553907873.db2.gz	UACVPRYDLVYEBJ-PVRNWPCDSA-N	0	0	627.580	3.110	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3OC(C)=O)c(=O)n2[C@@H]1c1ccc(OC(C)=O)c(OCC)c1	ZINC000097966427	553908674	/nfs/dbraw/zinc/90/86/74/553908674.db2.gz	NJSPUAHENXEKGZ-KMBIYUNPSA-N	0	0	564.616	3.048	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3OC(C)=O)c(=O)n2[C@H]1c1ccc(OC(C)=O)c(OCC)c1	ZINC000097966428	553908656	/nfs/dbraw/zinc/90/86/56/553908656.db2.gz	NJSPUAHENXEKGZ-GVMLUORFSA-N	0	0	564.616	3.048	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC(C)=O)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OC(C)=O)c(OCC)c1	ZINC000097966429	553908633	/nfs/dbraw/zinc/90/86/33/553908633.db2.gz	AAQYVUZHNARENI-LXYLXTGBSA-N	0	0	594.642	3.056	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC(C)=O)c(OC)c3)c(=O)n2[C@H]1c1ccc(OC(C)=O)c(OCC)c1	ZINC000097966430	553908690	/nfs/dbraw/zinc/90/86/90/553908690.db2.gz	AAQYVUZHNARENI-XGLZOBASSA-N	0	0	594.642	3.056	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC(C)=O)cc3)c(=O)n2[C@@H]1c1ccc(OC(C)=O)c(OCC)c1	ZINC000097966442	553909059	/nfs/dbraw/zinc/90/90/59/553909059.db2.gz	YTDZTQLEEFOMSH-JAYSWQADSA-N	0	0	564.616	3.048	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC(C)=O)cc3)c(=O)n2[C@H]1c1ccc(OC(C)=O)c(OCC)c1	ZINC000097966443	553909008	/nfs/dbraw/zinc/90/90/08/553909008.db2.gz	YTDZTQLEEFOMSH-KEQCBNTKSA-N	0	0	564.616	3.048	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OC(C)=O)c(OCC)c1	ZINC000097966449	553909040	/nfs/dbraw/zinc/90/90/40/553909040.db2.gz	LAIVPPKUOZFELO-JAYSWQADSA-N	0	0	566.632	3.140	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC)c(OC)c3)c(=O)n2[C@H]1c1ccc(OC(C)=O)c(OCC)c1	ZINC000097966450	553908996	/nfs/dbraw/zinc/90/89/96/553908996.db2.gz	LAIVPPKUOZFELO-KEQCBNTKSA-N	0	0	566.632	3.140	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC(C)=O)c(OCC)c3)c(=O)n2[C@H]1c1ccc(OC(C)=O)c(OCC)c1	ZINC000097966452	553908999	/nfs/dbraw/zinc/90/89/99/553908999.db2.gz	PZCQSXKQMZJPEJ-PIXWUVMMSA-N	0	0	608.669	3.446	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC(C)=O)c(OCC)c3)c(=O)n2[C@@H]1c1ccc(OC(C)=O)c(OCC)c1	ZINC000097966453	553909052	/nfs/dbraw/zinc/90/90/52/553909052.db2.gz	PZCQSXKQMZJPEJ-JBDHCHCMSA-N	0	0	608.669	3.446	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC)cc3OC)c(=O)n2[C@@H]1c1ccc(OC(C)=O)c(OCC)c1	ZINC000097966458	553908995	/nfs/dbraw/zinc/90/89/95/553908995.db2.gz	FOGKGPKEPRWJKI-JAYSWQADSA-N	0	0	566.632	3.140	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC)cc3OC)c(=O)n2[C@H]1c1ccc(OC(C)=O)c(OCC)c1	ZINC000097966459	553909001	/nfs/dbraw/zinc/90/90/01/553909001.db2.gz	FOGKGPKEPRWJKI-KEQCBNTKSA-N	0	0	566.632	3.140	50	0		KGAARN
CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(C[C@H]2CCCO2)c1=NC(=O)c1cc(OC)c(OC)c(OC)c1	ZINC000097967590	1060006167	/nfs/dbraw/zinc/00/61/67/1060006167.db2.gz	BQMPDJURFBZJIB-LJQANCHMSA-N	0	0	576.606	3.080	50	0		KGAARN
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CCCOC(C)C)c1=NC(=O)c1cc(OC)c(OC)c(OC)c1	ZINC000097967696	1060006539	/nfs/dbraw/zinc/00/65/39/1060006539.db2.gz	BDZXOIBQPATYNC-UHFFFAOYSA-N	0	0	578.622	3.408	50	0		KGAARN
CCOC(=O)C1=C(N)n2c(=O)/c(=C\c3ccc(Br)cc3)sc2=C(C(=O)OC)[C@@H]1c1ccc(Br)cc1	ZINC000097968560	553933501	/nfs/dbraw/zinc/93/35/01/553933501.db2.gz	OMJFGQKPJUAMNP-XCMFGDQWSA-N	0	0	620.319	3.075	50	0		KGAARN
CCOC(=O)C1=C(N)n2c(=O)/c(=C\c3ccc(Br)cc3)sc2=C(C(=O)OC)[C@H]1c1ccc(Br)cc1	ZINC000097968561	553933463	/nfs/dbraw/zinc/93/34/63/553933463.db2.gz	OMJFGQKPJUAMNP-WQJNHMDYSA-N	0	0	620.319	3.075	50	0		KGAARN
CCOC(=O)C1=C(N)n2c(=O)/c(=C\c3cccc(Br)c3)sc2=C(C(=O)OC)[C@@H]1c1cccc(Br)c1	ZINC000097968562	553933428	/nfs/dbraw/zinc/93/34/28/553933428.db2.gz	QDLRWCFGCWRDPZ-ZKTNYTPDSA-N	0	0	620.319	3.075	50	0		KGAARN
CCOC(=O)C1=C(N)n2c(=O)/c(=C\c3cccc(Br)c3)sc2=C(C(=O)OC)[C@H]1c1cccc(Br)c1	ZINC000097968563	553933477	/nfs/dbraw/zinc/93/34/77/553933477.db2.gz	QDLRWCFGCWRDPZ-RLGUWMIQSA-N	0	0	620.319	3.075	50	0		KGAARN
CN1C(=O)N(C)[C@@]2(c3ccccc3)Nn3c(=O)/c(=C/c4ccc(Br)cc4)sc3=N[C@]12c1ccccc1	ZINC000097968611	553933788	/nfs/dbraw/zinc/93/37/88/553933788.db2.gz	HEZFZRZDWSGYCE-KYDOHJILSA-N	0	0	560.477	3.381	50	0		KGAARN
CN1C(=O)N(C)[C@@]2(c3ccccc3)N=c3s/c(=C\c4ccc(Br)cc4)c(=O)n3N[C@@]12c1ccccc1	ZINC000097968612	553933790	/nfs/dbraw/zinc/93/37/90/553933790.db2.gz	HEZFZRZDWSGYCE-NREWAPBFSA-N	0	0	560.477	3.381	50	0		KGAARN
CN1C(=O)N(C)[C@]2(c3ccccc3)Nn3c(=O)/c(=C/c4ccc(Br)cc4)sc3=N[C@@]12c1ccccc1	ZINC000097968613	553933782	/nfs/dbraw/zinc/93/37/82/553933782.db2.gz	HEZFZRZDWSGYCE-LUXHZTLPSA-N	0	0	560.477	3.381	50	0		KGAARN
CCOC(=O)C1=c2s/c(=C/c3ccc(OC(C)C)c(OC)c3)c(=O)n2C(N)=C(C(=O)OC)[C@@H]1c1ccc(OC(C)C)c(OC)c1	ZINC000097968631	553933805	/nfs/dbraw/zinc/93/38/05/553933805.db2.gz	ODTCEANCKSBLSB-HFMVAQMMSA-N	0	0	638.739	3.142	50	0		KGAARN
CCOC(=O)C1=c2s/c(=C/c3ccc(OC(C)C)c(OC)c3)c(=O)n2C(N)=C(C(=O)OC)[C@H]1c1ccc(OC(C)C)c(OC)c1	ZINC000097968632	553934006	/nfs/dbraw/zinc/93/40/06/553934006.db2.gz	ODTCEANCKSBLSB-OMXAIKKXSA-N	0	0	638.739	3.142	50	0		KGAARN
CCOC(=O)C1=c2s/c(=C\c3cccc(Br)c3)c(=O)n2C(N)=C(C(=O)OC)[C@@H]1c1cccc(Br)c1	ZINC000097968851	553934562	/nfs/dbraw/zinc/93/45/62/553934562.db2.gz	XNBVKLAFRHMTFO-PNDHZVEESA-N	0	0	620.319	3.075	50	0		KGAARN
CCOC(=O)C1=c2s/c(=C\c3cccc(Br)c3)c(=O)n2C(N)=C(C(=O)OC)[C@H]1c1cccc(Br)c1	ZINC000097968852	553934597	/nfs/dbraw/zinc/93/45/97/553934597.db2.gz	XNBVKLAFRHMTFO-UWKDKTGGSA-N	0	0	620.319	3.075	50	0		KGAARN
CCc1ccc(S(=O)(=O)NCCNC(=O)c2ccc(OS(=O)(=O)c3ccc(CC)s3)cc2)s1	ZINC000097971448	553962641	/nfs/dbraw/zinc/96/26/41/553962641.db2.gz	AVIJJJZJONLAMU-UHFFFAOYSA-N	0	0	528.699	3.410	50	0		KGAARN
CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@@]1(C)C(=O)[C@H](O)C3=C(C)[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c4ccccc4)c4ccccc4)C[C@@](O)([C@H](OC(=O)c4ccccc4)[C@H]21)C3(C)C	ZINC000097971577	553962563	/nfs/dbraw/zinc/96/25/63/553962563.db2.gz	TYLVGQKNNUHXIP-CPSYLSOPSA-N	0	0	811.881	3.165	50	0		KGAARN
CCCOc1ccc(Cc2nn3c(=O)/c(=C\c4cc(Br)c(OC(C)=O)c(OC)c4)sc3nc2=O)cc1	ZINC000097971831	553963234	/nfs/dbraw/zinc/96/32/34/553963234.db2.gz	RHHZPEIFWWNGMA-FYJGNVAPSA-N	0	0	572.437	3.135	50	0		KGAARN
Cc1ccc(S(=O)(=O)Oc2c(C)c(=O)n(C)c3c2c(=O)n(C2CC2)c(=O)n3-c2ccc(I)cc2F)cc1	ZINC000097972382	553966875	/nfs/dbraw/zinc/96/68/75/553966875.db2.gz	RCCOZJPSLZNDFV-UHFFFAOYSA-N	0	0	637.427	3.314	50	0		KGAARN
CCC(=O)CCCCC[C@@H]1NC(=O)[C@H]2CCCCN2C(=O)[C@@H]([C@H](C)CC)NC(=O)[C@H](Cc2cn(OC)c3ccccc23)NC1=O	ZINC000097973825	553968586	/nfs/dbraw/zinc/96/85/86/553968586.db2.gz	JWOGUUIOCYMBPV-IATCSSRFSA-N	0	0	623.795	3.067	50	0		KGAARN
CC[C@@H](Cc1c(I)cc(I)c([O-])c1I)C(=O)NCC[NH+](C)C	ZINC000097976908	553973401	/nfs/dbraw/zinc/97/34/01/553973401.db2.gz	DUQKILBCGOSYPZ-VIFPVBQESA-N	0	0	642.057	3.453	50	0		KGAARN
CC[C@H](Cc1c(I)cc(I)c([O-])c1I)C(=O)NCC[NH+](C)C	ZINC000097976909	553973419	/nfs/dbraw/zinc/97/34/19/553973419.db2.gz	DUQKILBCGOSYPZ-SECBINFHSA-N	0	0	642.057	3.453	50	0		KGAARN
CCCn1c(N)c(C(=O)COC(=O)c2c3c(nc4ccccc42)C(=Cc2ccc(O)cc2)CC3)c(=O)n(C)c1=O	ZINC000097978991	1060006440	/nfs/dbraw/zinc/00/64/40/1060006440.db2.gz	QXQCQUQSDDOAEH-OBGWFSINSA-N	0	0	540.576	3.320	50	0		KGAARN
COc1cc(/C=C/C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)ccc1OC(F)F	ZINC000097979064	553976089	/nfs/dbraw/zinc/97/60/89/553976089.db2.gz	UZQDNSGFQGUYRP-YCRREMRBSA-N	0	0	544.960	3.040	50	0		KGAARN
COc1ccc(N2C(=O)/C(=C\c3cccs3)N=C2SCC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1Cl	ZINC000097979092	553976351	/nfs/dbraw/zinc/97/63/51/553976351.db2.gz	XBSJKUSFHWVBIW-VGSSETLESA-N	0	0	526.061	3.190	50	0		KGAARN
COc1ccc(N2C(=O)/C(=C\c3cccs3)N=C2SCC(=O)N[C@H]2CCS(=O)(=O)C2)cc1Cl	ZINC000097979093	553976421	/nfs/dbraw/zinc/97/64/21/553976421.db2.gz	XBSJKUSFHWVBIW-VZWMTCDZSA-N	0	0	526.061	3.190	50	0		KGAARN
CCN(C(=O)CSC1=N/C(=C\c2ccco2)C(=O)N1c1ccc(OC)c(Cl)c1)[C@@H]1CCS(=O)(=O)C1	ZINC000097979101	553976381	/nfs/dbraw/zinc/97/63/81/553976381.db2.gz	QLROSTCHJKQOIE-BKAYVGFPSA-N	0	0	538.047	3.454	50	0		KGAARN
Cc1ccc(N2C(=O)/C(=C\c3ccc(C(C)C)cc3)N=C2SCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)cc1	ZINC000097979125	553976676	/nfs/dbraw/zinc/97/66/76/553976676.db2.gz	RHFQQYPHOMZWNT-KGENOOAVSA-N	0	0	531.638	3.458	50	0		KGAARN
COc1ccc(/C=C2\N=C(SCC(=O)N[C@@H]3CCS(=O)(=O)C3)N(c3ccc(OC(F)F)cc3)C2=O)cc1	ZINC000097979136	553976665	/nfs/dbraw/zinc/97/66/65/553976665.db2.gz	VFEWDVZQWLBOKK-SDLDRHLBSA-N	0	0	551.593	3.077	50	0		KGAARN
COc1ccc(/C=C2\N=C(SCC(=O)N[C@H]3CCS(=O)(=O)C3)N(c3ccc(OC(F)F)cc3)C2=O)cc1	ZINC000097979137	553976733	/nfs/dbraw/zinc/97/67/33/553976733.db2.gz	VFEWDVZQWLBOKK-DEFALTHMSA-N	0	0	551.593	3.077	50	0		KGAARN
CN(C(=O)CSC1=N/C(=C\c2ccco2)C(=O)N1c1ccc(OC(F)F)cc1)[C@@H]1CCS(=O)(=O)C1	ZINC000097979149	553976716	/nfs/dbraw/zinc/97/67/16/553976716.db2.gz	ZABWMFZBYIYWHO-JQFNYASXSA-N	0	0	525.555	3.003	50	0		KGAARN
CN(C(=O)CSC1=N/C(=C\c2ccco2)C(=O)N1c1ccc(OC(F)F)cc1)[C@H]1CCS(=O)(=O)C1	ZINC000097979150	553976702	/nfs/dbraw/zinc/97/67/02/553976702.db2.gz	ZABWMFZBYIYWHO-GZQZNAIASA-N	0	0	525.555	3.003	50	0		KGAARN
CCN(C(=O)CSC1=N/C(=C\c2ccco2)C(=O)N1c1ccc(OC(F)F)cc1)[C@@H]1CCS(=O)(=O)C1	ZINC000097979151	553976710	/nfs/dbraw/zinc/97/67/10/553976710.db2.gz	KZVULCJEXFSJJZ-BKAYVGFPSA-N	0	0	539.582	3.394	50	0		KGAARN
CCN(C(=O)CSC1=N/C(=C\c2ccco2)C(=O)N1c1ccc(OC(F)F)cc1)[C@H]1CCS(=O)(=O)C1	ZINC000097979152	553976909	/nfs/dbraw/zinc/97/69/09/553976909.db2.gz	KZVULCJEXFSJJZ-JJBLJPBOSA-N	0	0	539.582	3.394	50	0		KGAARN
Cn1c(N)c(C(=O)COC(=O)c2c3c(nc4ccccc42)C(=Cc2ccc(Cl)cc2)CC3)c(=O)n(C)c1=O	ZINC000097979196	553977250	/nfs/dbraw/zinc/97/72/50/553977250.db2.gz	ALRRSGIAISUJSD-DTQAZKPQSA-N	0	0	530.968	3.394	50	0		KGAARN
Cc1nn(-c2ccc(F)cc2)c(C)c1/C=C/C(=O)OCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl	ZINC000097979234	553977212	/nfs/dbraw/zinc/97/72/12/553977212.db2.gz	NLWCYWZPTDUPSG-CSKARUKUSA-N	0	0	577.034	3.498	50	0		KGAARN
CCOc1cc(/C=C/C(=O)OCC(=O)Nc2sc(C(N)=O)c(C)c2C(=O)OCCOC)cc(Cl)c1OC	ZINC000097979242	553977480	/nfs/dbraw/zinc/97/74/80/553977480.db2.gz	HNUKDCMFFXJFFV-VOTSOKGWSA-N	0	0	555.005	3.214	50	0		KGAARN
Cc1ccc(NS(=O)(=O)c2cc(C(=O)O[C@H](C)C(=O)N3CCN(C(=O)c4ccco4)CC3)ccc2C)cc1	ZINC000097979377	553978787	/nfs/dbraw/zinc/97/87/87/553978787.db2.gz	SEIWLEHRNRFADV-HXUWFJFHSA-N	0	0	539.610	3.227	50	0		KGAARN
CCN(CC)S(=O)(=O)c1ccc(/C=C/C(=O)OCC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2C)cc1	ZINC000097979398	553979042	/nfs/dbraw/zinc/97/90/42/553979042.db2.gz	XCYNLONVFJGFLP-FOWTUZBSSA-N	0	0	577.725	3.395	50	0		KGAARN
O=C(COC(=O)/C(=C/c1cccs1)c1cccs1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1	ZINC000097979411	553979093	/nfs/dbraw/zinc/97/90/93/553979093.db2.gz	ZCCWCRALNSOPLS-OQKWZONESA-N	0	0	603.744	3.390	50	0		KGAARN
NS(=O)(=O)c1cccc(NC(=O)COC(=O)/C=C/c2cn(-c3ccccc3)nc2-c2cc3ccccc3oc2=O)c1	ZINC000097979448	553979460	/nfs/dbraw/zinc/97/94/60/553979460.db2.gz	MBXMKUZBKVVRHE-BUHFOSPRSA-N	0	0	570.583	3.488	50	0		KGAARN
CCN(C(=O)COC(=O)/C=C/c1cn(-c2ccccc2)nc1-c1cc2ccccc2oc1=O)[C@@H]1CCS(=O)(=O)C1	ZINC000097979453	553979458	/nfs/dbraw/zinc/97/94/58/553979458.db2.gz	RWEDWRADADPCIR-MDRMPYQZSA-N	0	0	561.616	3.238	50	0		KGAARN
CCN(C(=O)COC(=O)/C=C/c1cn(-c2ccccc2)nc1-c1cc2ccccc2oc1=O)[C@H]1CCS(=O)(=O)C1	ZINC000097979454	553979462	/nfs/dbraw/zinc/97/94/62/553979462.db2.gz	RWEDWRADADPCIR-OTOIZHKDSA-N	0	0	561.616	3.238	50	0		KGAARN
COc1cc(/C=C/C(=O)OCC(=O)NCCc2ccccc2)cc(S(=O)(=O)N2CCc3ccccc32)c1OC	ZINC000097979535	553980261	/nfs/dbraw/zinc/98/02/61/553980261.db2.gz	ODVMZCXKSOYZDB-OUKQBFOZSA-N	0	0	550.633	3.371	50	0		KGAARN
COc1ccc(C)cc1-n1nnnc1SCC(=O)NCCN1C(=O)S/C(=C\c2ccccc2F)C1=O	ZINC000097979568	553980535	/nfs/dbraw/zinc/98/05/35/553980535.db2.gz	YMEMEIZBFDVHAH-UNOMPAQXSA-N	0	0	528.591	3.063	50	0		KGAARN
O=C(/C=C/c1ccc(S(=O)(=O)N2CCc3ccccc32)cc1)OCC(=O)Nc1ccc(N2CCOCC2)cc1	ZINC000097979755	553981988	/nfs/dbraw/zinc/98/19/88/553981988.db2.gz	WYGBQXIBHLHQRO-VGOFMYFVSA-N	0	0	547.633	3.470	50	0		KGAARN
Cc1c(NC(=O)COC(=O)/C=C/c2ccc(S(=O)(=O)N3CCc4ccccc43)cc2)c(=O)n(-c2ccccc2)n1C	ZINC000097979756	553981949	/nfs/dbraw/zinc/98/19/49/553981949.db2.gz	HPDMRQCJPOPNMC-SAPNQHFASA-N	0	0	572.643	3.431	50	0		KGAARN
CCOc1ccccc1-n1nnnc1SCC(=O)NCCN1C(=O)S/C(=C\c2ccccc2F)C1=O	ZINC000097979757	553981953	/nfs/dbraw/zinc/98/19/53/553981953.db2.gz	PUYVKGWOHZRFLY-UYRXBGFRSA-N	0	0	528.591	3.145	50	0		KGAARN
COc1ccc(-c2nnc(SCC(=O)NCCN3C(=O)S/C(=C\c4cccnc4)C3=O)n2C[C@@H]2CCCO2)cc1	ZINC000097979771	553982010	/nfs/dbraw/zinc/98/20/10/553982010.db2.gz	NOMQHRQYKDKGAA-ODLJZMMESA-N	0	0	580.692	3.473	50	0		KGAARN
COc1ccc(-c2nnc(SCC(=O)NCCN3C(=O)S/C(=C\c4cccnc4)C3=O)n2C[C@H]2CCCO2)cc1	ZINC000097979772	553982295	/nfs/dbraw/zinc/98/22/95/553982295.db2.gz	NOMQHRQYKDKGAA-NBOCOGBRSA-N	0	0	580.692	3.473	50	0		KGAARN
COc1ccc(NC(=O)COC(=O)/C=C/c2ccc(Br)o2)cc1S(=O)(=O)N1CCCCC1	ZINC000097979992	553984242	/nfs/dbraw/zinc/98/42/42/553984242.db2.gz	QSIAOMBHOZFUQU-JXMROGBWSA-N	0	0	527.393	3.420	50	0		KGAARN
Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1/C=C/C(=O)O[C@@H](C)C(=O)Nc1ncc(Cl)cc1Cl	ZINC000097980037	553984486	/nfs/dbraw/zinc/98/44/86/553984486.db2.gz	YSYDRJCHMVMLBU-JCMPJRQWSA-N	0	0	521.810	3.490	50	0		KGAARN
Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1/C=C/C(=O)O[C@H](C)C(=O)Nc1ncc(Cl)cc1Cl	ZINC000097980039	553984514	/nfs/dbraw/zinc/98/45/14/553984514.db2.gz	YSYDRJCHMVMLBU-NAGRZINJSA-N	0	0	521.810	3.490	50	0		KGAARN
O=C(NCCN1C(=O)S/C(=C\c2cccnc2)C1=O)C1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1	ZINC000097980203	553986562	/nfs/dbraw/zinc/98/65/62/553986562.db2.gz	YYCVSAMXFVPAHS-RGEXLXHISA-N	0	0	568.599	3.354	50	0		KGAARN
O=C(NCCN1C(=O)S/C(=C\c2cccnc2)C1=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1	ZINC000097980207	553986548	/nfs/dbraw/zinc/98/65/48/553986548.db2.gz	IPLADGJLLMSDSA-UYRXBGFRSA-N	0	0	535.047	3.376	50	0		KGAARN
O=C(NCCN1C(=O)S/C(=C\c2cccnc2)C1=O)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1	ZINC000097980209	553986526	/nfs/dbraw/zinc/98/65/26/553986526.db2.gz	NWGRYOKOLKPOFT-HAHDFKILSA-N	0	0	534.619	3.299	50	0		KGAARN
CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)NCCN2C(=O)S/C(=C\c3cccnc3)C2=O)cc1	ZINC000097980212	553986544	/nfs/dbraw/zinc/98/65/44/553986544.db2.gz	NQVGKVPYUWQIDF-JWGURIENSA-N	0	0	522.608	3.373	50	0		KGAARN
O=C(NCCN1C(=O)S/C(=C\c2cccnc2)C1=O)c1cccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)c1	ZINC000097980214	553986588	/nfs/dbraw/zinc/98/65/88/553986588.db2.gz	FWZCJPDUOOYTRT-BWAHOGKJSA-N	0	0	577.688	3.059	50	0		KGAARN
O=C(NCCN1C(=O)S/C(=C\c2cccnc2)C1=O)c1cccc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)c1	ZINC000097980215	553986508	/nfs/dbraw/zinc/98/65/08/553986508.db2.gz	BSAIRZKOWYGSKB-UQQQWYQISA-N	0	0	595.678	3.198	50	0		KGAARN
COc1cc(/C=C2\SC(=O)N(CCNC(=O)CSc3nnnn3-c3cc(C)ccc3C)C2=O)cc(OC)c1OC	ZINC000097980216	553986512	/nfs/dbraw/zinc/98/65/12/553986512.db2.gz	WAXAQHDCLGKTSB-BKUYFWCQSA-N	0	0	584.680	3.250	50	0		KGAARN
COc1cc(/C=C2/SC(=O)N(CCNC(=O)c3cc(OC)c(OC)c(OC)c3)C2=O)cc(OC)c1OC	ZINC000097980223	553986591	/nfs/dbraw/zinc/98/65/91/553986591.db2.gz	SZMIEQSMNVCOJY-RGVLZGJSSA-N	0	0	532.571	3.205	50	0		KGAARN
COc1ccc(/C=C/C(=O)Nc2ccc(-c3nnc4n3CCCCC4)cc2)cc1S(=O)(=O)N1CCOCC1	ZINC000097980236	553986925	/nfs/dbraw/zinc/98/69/25/553986925.db2.gz	CTVRODNWOMVINL-NTUHNPAUSA-N	0	0	537.642	3.353	50	0		KGAARN
CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)/C=C/c2ccc(S(=O)(=O)N3CCOCC3)cc2)c1	ZINC000097980237	553986886	/nfs/dbraw/zinc/98/68/86/553986886.db2.gz	MHQJSXQJAYWLKP-NTCAYCPXSA-N	0	0	541.651	3.185	50	0		KGAARN
COc1ccc(/C=C2/SC(=O)N(CCNC(=O)c3cc(S(=O)(=O)N(C)C)ccc3N3CCCC3)C2=O)cc1	ZINC000097980264	553986933	/nfs/dbraw/zinc/98/69/33/553986933.db2.gz	GYKPISLNRSKWKR-XQNSMLJCSA-N	0	0	558.682	3.012	50	0		KGAARN
CCN(CC)S(=O)(=O)c1ccc(C(=O)NCCN2C(=O)S/C(=C\c3ccc(OC)c(OC)c3)C2=O)cc1	ZINC000097980320	553987418	/nfs/dbraw/zinc/98/74/18/553987418.db2.gz	BQDIQYSXDCZZDB-JWGURIENSA-N	0	0	547.655	3.201	50	0		KGAARN
CN(C)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)NCCN2C(=O)S/C(=C\c3ccccc3F)C2=O)c1	ZINC000097980328	553987454	/nfs/dbraw/zinc/98/74/54/553987454.db2.gz	SSUSXLRLABTWNB-JCMHNJIXSA-N	0	0	546.646	3.143	50	0		KGAARN
O=C(NCCN1C(=O)S/C(=C\c2ccccc2F)C1=O)C1CCN(S(=O)(=O)c2ccccc2F)CC1	ZINC000097980332	553987491	/nfs/dbraw/zinc/98/74/91/553987491.db2.gz	DMXOGMXPBAPBOA-HKWRFOASSA-N	0	0	535.594	3.218	50	0		KGAARN
O=C(NCCN1C(=O)S/C(=C\c2ccc(Cl)cc2)C1=O)[C@H]1CCCN1S(=O)(=O)c1ccccc1F	ZINC000097980345	553987821	/nfs/dbraw/zinc/98/78/21/553987821.db2.gz	OVVAZJKMGGDWGM-GXYBQNOFSA-N	0	0	538.022	3.485	50	0		KGAARN
O=C(NCCN1C(=O)S/C(=C\c2ccc(Cl)cc2)C1=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1F	ZINC000097980346	553987834	/nfs/dbraw/zinc/98/78/34/553987834.db2.gz	OVVAZJKMGGDWGM-OWBBTNHHSA-N	0	0	538.022	3.485	50	0		KGAARN
COc1ccc(/C=C/C(=O)NCCN2C(=O)S/C(=C\c3ccc(Cl)cc3)C2=O)cc1S(=O)(=O)N1CCOCC1	ZINC000097980351	553987796	/nfs/dbraw/zinc/98/77/96/553987796.db2.gz	IRXJRLWKAFTLCL-ZPVKHSJDSA-N	0	0	592.095	3.235	50	0		KGAARN
O=C(/C=C/c1ccc(S(=O)(=O)N2CCOCC2)cc1)NCCN1C(=O)S/C(=C\c2ccccc2Cl)C1=O	ZINC000097980373	553988044	/nfs/dbraw/zinc/98/80/44/553988044.db2.gz	NLVXYGMISTWFKC-BMCPSXHCSA-N	0	0	562.069	3.227	50	0		KGAARN
O=C(NCCN1C(=O)S/C(=C\c2ccc(OC(F)F)cc2)C1=O)c1ccc(=O)n(Cc2ccccc2)n1	ZINC000097980374	553988113	/nfs/dbraw/zinc/98/81/13/553988113.db2.gz	KLWOMOKFVQSXAS-ZHZULCJRSA-N	0	0	526.521	3.359	50	0		KGAARN
CN(C)S(=O)(=O)c1cccc(C(=O)NCCN2C(=O)S/C(=C\c3ccc(OC(F)F)cc3)C2=O)c1	ZINC000097980378	553988205	/nfs/dbraw/zinc/98/82/05/553988205.db2.gz	KRDQWGXOSUDTCO-PDGQHHTCSA-N	0	0	525.555	3.005	50	0		KGAARN
O=C(CN1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1)Nc1cc(C(F)(F)F)ccc1N1CCOCC1	ZINC000097980442	553988672	/nfs/dbraw/zinc/98/86/72/553988672.db2.gz	AXYNQGQHFKUGQM-CAOOACKPSA-N	0	0	538.592	3.099	50	0		KGAARN
CCN(CC)S(=O)(=O)c1cccc(N2C(=O)c3ccccc3C(=CNc3ccc(S(N)(=O)=O)cc3)C2=O)c1	ZINC000097980453	553988573	/nfs/dbraw/zinc/98/85/73/553988573.db2.gz	LBBZKJNXUYTUKF-JJIBRWJFSA-N	0	0	554.650	3.005	50	0		KGAARN
Cc1ccc(NC=C2c3ccccc3C(=O)N(Cc3ccc4c(c3)OCO4)C2=O)cc1S(=O)(=O)N1CCOCC1	ZINC000097980524	553989224	/nfs/dbraw/zinc/98/92/24/553989224.db2.gz	ADMPZVQRLKKJMO-LFVJCYFKSA-N	0	0	561.616	3.380	50	0		KGAARN
COc1ccc(NS(=O)(=O)c2ccc(/C=C/C(=O)N3CCN(S(=O)(=O)c4ccc(C)cc4)CC3)cc2)cc1	ZINC000097980628	553990262	/nfs/dbraw/zinc/99/02/62/553990262.db2.gz	AFSAXNNDIWMGDD-FRKPEAEDSA-N	0	0	555.678	3.351	50	0		KGAARN
COc1ccc(NS(=O)(=O)c2ccc(C(=O)N3CCN(S(=O)(=O)/C=C/c4ccccc4)CC3)cc2)cc1	ZINC000097980629	553990315	/nfs/dbraw/zinc/99/03/15/553990315.db2.gz	MNCMYKOVQWLJHN-HMMYKYKNSA-N	0	0	541.651	3.255	50	0		KGAARN
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C[C@@H]2CCCO2)c1=NC(=O)COc1ccc(Cl)cc1	ZINC000097981141	1060006648	/nfs/dbraw/zinc/00/66/48/1060006648.db2.gz	GAYHLPXBMXOIPP-IBGZPJMESA-N	0	0	536.972	3.165	50	0		KGAARN
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C[C@H]2CCCO2)c1=NC(=O)COc1ccc(Cl)cc1	ZINC000097981142	1060006671	/nfs/dbraw/zinc/00/66/71/1060006671.db2.gz	GAYHLPXBMXOIPP-LJQANCHMSA-N	0	0	536.972	3.165	50	0		KGAARN
COC(=O)c1cc(-c2ccc(Cl)cc2)n(-c2nc3c(c(=O)n(C)c(=O)n3C)n2C/C=C/c2ccccc2)n1	ZINC000097981248	553992251	/nfs/dbraw/zinc/99/22/51/553992251.db2.gz	GZFPTHNXPJSAJT-JXMROGBWSA-N	0	0	530.972	3.440	50	0		KGAARN
CCOC(=O)c1ccc(NC(=S)NCCN2CCN(C(=S)Nc3ccc(C(=O)OCC)cc3)CC2)cc1	ZINC000097981339	553993273	/nfs/dbraw/zinc/99/32/73/553993273.db2.gz	HFBMWLKFVQFDSN-UHFFFAOYSA-N	0	0	543.715	3.341	50	0		KGAARN
CCOC(=O)c1c(-c2ccc(C)o2)csc1NC(=O)CN1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1	ZINC000097981491	553994488	/nfs/dbraw/zinc/99/44/88/553994488.db2.gz	BXCUZGWJPNEHOL-UHFFFAOYSA-N	0	0	547.655	3.447	50	0		KGAARN
Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NCCN3C(=O)S/C(=C\c4ccccc4Cl)C3=O)CC2)cc1C	ZINC000097981521	553994909	/nfs/dbraw/zinc/99/49/09/553994909.db2.gz	GXAKHGPEVQLCDB-KQWNVCNZSA-N	0	0	577.128	3.116	50	0		KGAARN
C[C@@H](C(=O)NC(=O)NC1CCCCC1)N1CCN(S(=O)(=O)c2cc(Br)ccc2Br)CC1	ZINC000097981524	553994915	/nfs/dbraw/zinc/99/49/15/553994915.db2.gz	QWPRRAQQCAMQIJ-AWEZNQCLSA-N	0	0	580.343	3.065	50	0		KGAARN
C[C@H](C(=O)NC(=O)NC1CCCCC1)N1CCN(S(=O)(=O)c2cc(Br)ccc2Br)CC1	ZINC000097981525	553994867	/nfs/dbraw/zinc/99/48/67/553994867.db2.gz	QWPRRAQQCAMQIJ-CQSZACIVSA-N	0	0	580.343	3.065	50	0		KGAARN
CCOC(=O)c1ccc(S(=O)(=O)N2CCN(CC(=O)N(Cc3ccccc3)Cc3ccccc3)CC2)cc1	ZINC000097981527	553994902	/nfs/dbraw/zinc/99/49/02/553994902.db2.gz	MHTUAHSXWHUSJA-UHFFFAOYSA-N	0	0	535.666	3.399	50	0		KGAARN
Cc1ccccc1NC(=O)C[C@@H]1C(=O)Nc2ccccc2N1CC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1C	ZINC000097981529	553995046	/nfs/dbraw/zinc/99/50/46/553995046.db2.gz	UFMBROCSVZUHIO-RUZDIDTESA-N	0	0	549.653	3.348	50	0		KGAARN
Cc1ccccc1NC(=O)C[C@H]1C(=O)Nc2ccccc2N1CC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1C	ZINC000097981530	553995154	/nfs/dbraw/zinc/99/51/54/553995154.db2.gz	UFMBROCSVZUHIO-VWLOTQADSA-N	0	0	549.653	3.348	50	0		KGAARN
CCN(CC(=O)NCCN1C(=O)SC(=Cc2ccccc2Cl)C1=O)Cc1nc2ccccc2c(=O)[nH]1	ZINC000097981531	553995124	/nfs/dbraw/zinc/99/51/24/553995124.db2.gz	UASMRHMWUGVCTC-MOSHPQCFSA-N	0	0	526.018	3.251	50	0		KGAARN
O=C(CN1CCN(S(=O)(=O)c2c(Cl)cc(Br)cc2Cl)CC1)NCc1cccs1	ZINC000097981550	553995152	/nfs/dbraw/zinc/99/51/52/553995152.db2.gz	UWFWHZVLDZSCRZ-UHFFFAOYSA-N	0	0	527.293	3.440	50	0		KGAARN
CCn1c(=O)c(C(=O)CN(C)CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c(N)n(Cc2ccccc2)c1=O	ZINC000097981562	553995429	/nfs/dbraw/zinc/99/54/29/553995429.db2.gz	HNIHGEKBAWOAHU-UHFFFAOYSA-N	0	0	551.953	3.086	50	0		KGAARN
CCN(CC(=O)NCc1ccc(F)cc1)C(=O)CN1CCN(S(=O)(=O)c2ccc(C3CCCCC3)cc2)CC1	ZINC000097981606	553995734	/nfs/dbraw/zinc/99/57/34/553995734.db2.gz	SDMJQQULHDHOPE-UHFFFAOYSA-N	0	0	558.720	3.345	50	0		KGAARN
COc1cc([C@H]2NC(=S)NC(C)=C2C(=O)Nc2ccc(C)cc2)ccc1OCC(=O)N1C[C@@H](C)O[C@@H](C)C1	ZINC000097981684	553996368	/nfs/dbraw/zinc/99/63/68/553996368.db2.gz	RDKDARZOMMLDQF-FIAZIHOUSA-N	0	0	538.670	3.450	50	0		KGAARN
COc1cc([C@@H]2NC(=S)NC(C)=C2C(=O)Nc2ccc(C)cc2)ccc1OCC(=O)N1C[C@@H](C)O[C@@H](C)C1	ZINC000097981685	553996360	/nfs/dbraw/zinc/99/63/60/553996360.db2.gz	RDKDARZOMMLDQF-DFXHWTJYSA-N	0	0	538.670	3.450	50	0		KGAARN
COc1cc([C@@H]2NC(=S)NC(C)=C2C(=O)Nc2ccc(C)cc2)ccc1OCC(=O)N1C[C@@H](C)O[C@H](C)C1	ZINC000097981687	553996282	/nfs/dbraw/zinc/99/62/82/553996282.db2.gz	RDKDARZOMMLDQF-KABRZNFWSA-N	0	0	538.670	3.450	50	0		KGAARN
O=C(/C=C/C(=O)OCC(=O)Nc1ccc(Br)cc1)OCC(=O)Nc1ccc(Br)cc1	ZINC000097982278	554000587	/nfs/dbraw/zinc/00/05/87/554000587.db2.gz	KIXLADKGLJYWPJ-MDZDMXLPSA-N	0	0	540.164	3.431	50	0		KGAARN
NC(=O)c1c(NC(=O)COC(=O)c2ccc(NS(=O)(=O)c3ccc4c(c3)OCCO4)cc2)sc2c1CCCC2	ZINC000097982312	554001202	/nfs/dbraw/zinc/00/12/02/554001202.db2.gz	DCLFOYTYRRITEE-UHFFFAOYSA-N	0	0	571.633	3.093	50	0		KGAARN
CN(C)S(=O)(=O)c1cccc(C(=O)NC(=S)Nc2cc(S(=O)(=O)Nc3ccc(Cl)cc3)ccc2O)c1	ZINC000097982338	554001185	/nfs/dbraw/zinc/00/11/85/554001185.db2.gz	DBHCOHPGKBQYNM-UHFFFAOYSA-N	0	0	569.086	3.224	50	0		KGAARN
O=C(/C=C/c1ccc(S(=O)(=O)N2CCOCC2)cc1)NC(=S)Nc1nnc(SCc2ccccc2)s1	ZINC000097982377	554001991	/nfs/dbraw/zinc/00/19/91/554001991.db2.gz	UTERAZVGAVEJIA-DHZHZOJOSA-N	0	0	561.736	3.378	50	0		KGAARN
CC(C)CN(C(=O)COC(=O)COc1ccc(Cl)cc1Cl)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	ZINC000097982423	554002187	/nfs/dbraw/zinc/00/21/87/554002187.db2.gz	CBJVTEPVVQOJOH-UHFFFAOYSA-N	0	0	549.411	3.085	50	0		KGAARN
CCN(C(=O)COC(=O)CCCOc1ccc(Cl)cc1Cl)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	ZINC000097982425	554002229	/nfs/dbraw/zinc/00/22/29/554002229.db2.gz	OEVLMDSGBUJPBD-UHFFFAOYSA-N	0	0	549.411	3.229	50	0		KGAARN
CCN(C(=O)COC(=O)CSc1cc(Cl)ccc1Cl)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	ZINC000097982428	554002305	/nfs/dbraw/zinc/00/23/05/554002305.db2.gz	HLTIKKZOJKFTSQ-UHFFFAOYSA-N	0	0	537.425	3.162	50	0		KGAARN
CCCCn1c(N)c(N(CCOC)C(=O)COC(=O)c2sc3cc(Cl)ccc3c2Cl)c(=O)[nH]c1=O	ZINC000097982435	554002235	/nfs/dbraw/zinc/00/22/35/554002235.db2.gz	BLUIRYNOIIKXHV-UHFFFAOYSA-N	0	0	543.429	3.277	50	0		KGAARN
CCN(C(=O)COC(=O)c1cc(-c2ccco2)nc2ccccc21)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	ZINC000097982436	554002272	/nfs/dbraw/zinc/00/22/72/554002272.db2.gz	QUSRECQACCPWNJ-UHFFFAOYSA-N	0	0	539.548	3.185	50	0		KGAARN
CCN(C(=O)COC(=O)c1ccccc1OCc1ccc(F)cc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	ZINC000097982438	554002474	/nfs/dbraw/zinc/00/24/74/554002474.db2.gz	IYNWWNIOJOMHHG-UHFFFAOYSA-N	0	0	546.555	3.095	50	0		KGAARN
CCN(C(=O)COC(=O)c1c2ccccc2nc2c1C[C@H](C)CC2)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	ZINC000097982440	554002549	/nfs/dbraw/zinc/00/25/49/554002549.db2.gz	VRDYJXONZWOTJE-GOSISDBHSA-N	0	0	541.608	3.050	50	0		KGAARN
CCN(C(=O)COC(=O)c1c2ccccc2nc2c1C[C@@H](C)CC2)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	ZINC000097982441	554002572	/nfs/dbraw/zinc/00/25/72/554002572.db2.gz	VRDYJXONZWOTJE-SFHVURJKSA-N	0	0	541.608	3.050	50	0		KGAARN
CC(C)CN(C(=O)COC(=O)c1ccc(-c2ccc(O)cc2)cc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	ZINC000097982488	554002778	/nfs/dbraw/zinc/00/27/78/554002778.db2.gz	MGYQGYUZEWOVHC-UHFFFAOYSA-N	0	0	542.592	3.386	50	0		KGAARN
CC(C)CN(C(=O)COC(=O)C=Cc1nc2ccccc2s1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	ZINC000097982493	554002810	/nfs/dbraw/zinc/00/28/10/554002810.db2.gz	KUCHSMFPFMJSAB-OUKQBFOZSA-N	0	0	533.610	3.022	50	0		KGAARN
CCn1c(COC(=O)c2ccc3c(c2)S(=O)(=O)c2ccccc2C3=O)nc2cc(S(=O)(=O)N(C)C)ccc21	ZINC000097982517	554003097	/nfs/dbraw/zinc/00/30/97/554003097.db2.gz	MDDJSEJHBLHKCY-UHFFFAOYSA-N	0	0	553.618	3.041	50	0		KGAARN
CCn1c(COC(=O)c2cccc(S(=O)(=O)N3CCc4ccccc4C3)c2)nc2cc(S(=O)(=O)N(C)C)ccc21	ZINC000097982519	554003133	/nfs/dbraw/zinc/00/31/33/554003133.db2.gz	OHOYFFSXHGZFGM-UHFFFAOYSA-N	0	0	582.704	3.411	50	0		KGAARN
CCN(C(=O)COC(=O)c1ccccc1OCc1cccc(C)c1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	ZINC000097982529	554003108	/nfs/dbraw/zinc/00/31/08/554003108.db2.gz	LWKQIFIONMXFIQ-UHFFFAOYSA-N	0	0	542.592	3.264	50	0		KGAARN
O=C(c1ccc(NC2=NS(=O)(=O)c3ccccc32)cc1)N1CCN(S(=O)(=O)c2ccccc2Br)CC1	ZINC000097982579	554003643	/nfs/dbraw/zinc/00/36/43/554003643.db2.gz	HEXZTTUJRBGNGR-UHFFFAOYSA-N	0	0	589.493	3.157	50	0		KGAARN
O=C(c1ccc(NC2=NS(=O)(=O)c3ccccc32)cc1)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1	ZINC000097982583	554003687	/nfs/dbraw/zinc/00/36/87/554003687.db2.gz	TXRFKJPZTAWQCS-UHFFFAOYSA-N	0	0	545.042	3.048	50	0		KGAARN
O=C(c1ccc(NC2=NS(=O)(=O)c3ccccc32)cc1)N1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1	ZINC000097982586	554003651	/nfs/dbraw/zinc/00/36/51/554003651.db2.gz	OCEQVHSLSLMIGS-UHFFFAOYSA-N	0	0	589.493	3.157	50	0		KGAARN
O=C(c1ccc(NC2=NS(=O)(=O)c3ccccc32)cc1)N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1	ZINC000097982587	554003647	/nfs/dbraw/zinc/00/36/47/554003647.db2.gz	PAETTWIHKZADNB-UHFFFAOYSA-N	0	0	545.042	3.048	50	0		KGAARN
CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)c1cccc(S(=O)(=O)N2CCN(C(C)=O)CC2)c1	ZINC000097982593	554003667	/nfs/dbraw/zinc/00/36/67/554003667.db2.gz	QDLJDLMTCDMJHP-UHFFFAOYSA-N	0	0	546.049	3.295	50	0		KGAARN
CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)c1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1	ZINC000097982600	554003653	/nfs/dbraw/zinc/00/36/53/554003653.db2.gz	CFGUKWIIWMCKBW-UHFFFAOYSA-N	0	0	535.022	3.472	50	0		KGAARN
CN(C)S(=O)(=O)c1ccc(C2=C[C@](C)(c3ccc(S(=O)(=O)N(C)C)cc3)Nc3nc(C(F)(F)F)nn32)cc1	ZINC000097982702	554005161	/nfs/dbraw/zinc/00/51/61/554005161.db2.gz	MIBBNZVXMMVPOT-JOCHJYFZSA-N	0	0	570.619	3.028	50	0		KGAARN
CN(C)S(=O)(=O)c1ccc(C2=C[C@@](C)(c3ccc(S(=O)(=O)N(C)C)cc3)Nc3nc(C(F)(F)F)nn32)cc1	ZINC000097982703	554005187	/nfs/dbraw/zinc/00/51/87/554005187.db2.gz	MIBBNZVXMMVPOT-QFIPXVFZSA-N	0	0	570.619	3.028	50	0		KGAARN
O=C(Nc1cccc2c1OCCOCCOCCOCCO2)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O	ZINC000097983536	554010069	/nfs/dbraw/zinc/01/00/69/554010069.db2.gz	FXMLXWDJTOTEOZ-UHFFFAOYSA-N	0	0	553.589	3.137	50	0		KGAARN
O=C(NC[C@@H](c1cccs1)N1CCOCC1)c1ccccc1C(=O)NC[C@@H](c1cccs1)N1CCOCC1	ZINC000097983802	554011925	/nfs/dbraw/zinc/01/19/25/554011925.db2.gz	XWZFPNMYXMNMPG-ZEQRLZLVSA-N	0	0	554.738	3.416	50	0		KGAARN
O=C(NC[C@H](c1cccs1)N1CCOCC1)c1ccccc1C(=O)NC[C@@H](c1cccs1)N1CCOCC1	ZINC000097983803	554011912	/nfs/dbraw/zinc/01/19/12/554011912.db2.gz	XWZFPNMYXMNMPG-PSWAGMNNSA-N	0	0	554.738	3.416	50	0		KGAARN
O=C(NC[C@H](c1cccs1)N1CCOCC1)c1ccccc1C(=O)NC[C@H](c1cccs1)N1CCOCC1	ZINC000097983804	554011947	/nfs/dbraw/zinc/01/19/47/554011947.db2.gz	XWZFPNMYXMNMPG-DNQXCXABSA-N	0	0	554.738	3.416	50	0		KGAARN
CCOC(=O)c1ccc(NC(=O)CSc2nnc(CNC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)n2-c2ccccc2)cc1	ZINC000097985044	554020078	/nfs/dbraw/zinc/02/00/78/554020078.db2.gz	WALQSJXLXRIHET-UHFFFAOYSA-N	0	0	622.729	3.355	50	0		KGAARN
COc1ccc(NC(=O)CSc2nnc(CNC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)n2-c2cccc(C)c2)cc1	ZINC000097985047	554020027	/nfs/dbraw/zinc/02/00/27/554020027.db2.gz	IRQWGQORHDSZES-UHFFFAOYSA-N	0	0	594.719	3.495	50	0		KGAARN
COc1ccc(NC(=O)CSc2nnc(CNC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)n2-c2ccc(F)cc2)cc1	ZINC000097985050	554019954	/nfs/dbraw/zinc/01/99/54/554019954.db2.gz	FMVJBJVXXFPVSU-UHFFFAOYSA-N	0	0	598.682	3.326	50	0		KGAARN
CCOC(=O)c1ccc(NC(=O)CSc2nnc(CNC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)n2-c2ccc(F)cc2)cc1	ZINC000097985051	554020060	/nfs/dbraw/zinc/02/00/60/554020060.db2.gz	CBMCSLIODLNRQA-UHFFFAOYSA-N	0	0	640.719	3.494	50	0		KGAARN
COc1ccccc1-n1c(CNC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)nnc1SCC(=O)Nc1cccc(C)c1	ZINC000097985054	554020047	/nfs/dbraw/zinc/02/00/47/554020047.db2.gz	YJYKVGAAWFWLJE-UHFFFAOYSA-N	0	0	594.719	3.495	50	0		KGAARN
COc1ccccc1-n1c(CNC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)nnc1SCC(=O)Nc1ccc(F)cc1	ZINC000097985055	554020081	/nfs/dbraw/zinc/02/00/81/554020081.db2.gz	NXKRGPFDUJNUEO-UHFFFAOYSA-N	0	0	598.682	3.326	50	0		KGAARN
COc1ccc(NC(=O)CSc2nnc(CNC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)n2-c2ccccc2OC)cc1	ZINC000097985057	554020403	/nfs/dbraw/zinc/02/04/03/554020403.db2.gz	JGDRLOAXEIZKMR-UHFFFAOYSA-N	0	0	610.718	3.196	50	0		KGAARN
CCOC(=O)c1ccc(NC(=O)CSc2nnc(CNC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)n2-c2ccccc2OC)cc1	ZINC000097985058	554020326	/nfs/dbraw/zinc/02/03/26/554020326.db2.gz	FJZPYLWLRPHGHK-UHFFFAOYSA-N	0	0	652.755	3.364	50	0		KGAARN
Cc1cccc(NC(=O)CSc2nnc(CNC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)n2-c2ccccc2)c1	ZINC000097985076	554020409	/nfs/dbraw/zinc/02/04/09/554020409.db2.gz	ZSLWZVHDVXOAED-UHFFFAOYSA-N	0	0	606.730	3.257	50	0		KGAARN
O=C(CSc1nnc(CNC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)n1-c1ccccc1)Nc1ccc(F)cc1	ZINC000097985077	554020363	/nfs/dbraw/zinc/02/03/63/554020363.db2.gz	TUOLEOUUDCYJAH-UHFFFAOYSA-N	0	0	610.693	3.088	50	0		KGAARN
CCOC(=O)c1ccc(NC(=O)CSc2nnc(CNC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)n2-c2ccccc2)cc1	ZINC000097985079	554020448	/nfs/dbraw/zinc/02/04/48/554020448.db2.gz	MGVJNOCJRNXQEC-UHFFFAOYSA-N	0	0	664.766	3.126	50	0		KGAARN
Cc1cccc(-n2c(CNC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)nnc2SCC(=O)Nc2ccc(F)cc2)c1	ZINC000097985084	554020332	/nfs/dbraw/zinc/02/03/32/554020332.db2.gz	XLKLUMLJUVVFIP-UHFFFAOYSA-N	0	0	624.720	3.397	50	0		KGAARN
COc1ccc(NC(=O)CSc2nnc(CNC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)n2-c2cccc(C)c2)cc1	ZINC000097985086	554020425	/nfs/dbraw/zinc/02/04/25/554020425.db2.gz	ORMGCZNGPBEWTG-UHFFFAOYSA-N	0	0	636.756	3.266	50	0		KGAARN
CCOC(=O)c1ccc(NC(=O)CSc2nnc(CNC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)n2-c2cccc(C)c2)cc1	ZINC000097985087	554020435	/nfs/dbraw/zinc/02/04/35/554020435.db2.gz	SQORVTNKZAJEEI-UHFFFAOYSA-N	0	0	678.793	3.434	50	0		KGAARN
Cc1cccc(-n2c(CNC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)nnc2SCC(=O)N2CCc3ccccc32)c1	ZINC000097985089	554020852	/nfs/dbraw/zinc/02/08/52/554020852.db2.gz	JLSIUTIVUMCLEJ-UHFFFAOYSA-N	0	0	632.768	3.208	50	0		KGAARN
Cc1cccc(NC(=O)CSc2nnc(CNC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)n2-c2ccc(F)cc2)c1	ZINC000097985091	554020730	/nfs/dbraw/zinc/02/07/30/554020730.db2.gz	PCAMLOFZBJZFAX-UHFFFAOYSA-N	0	0	624.720	3.397	50	0		KGAARN
O=C(CSc1nnc(CNC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)n1-c1ccc(F)cc1)Nc1ccc(F)cc1	ZINC000097985092	554020824	/nfs/dbraw/zinc/02/08/24/554020824.db2.gz	LMGXOLAGCKHEID-UHFFFAOYSA-N	0	0	628.683	3.227	50	0		KGAARN
COc1ccc(NC(=O)CSc2nnc(CNC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)n2-c2ccc(F)cc2)cc1	ZINC000097985094	554020700	/nfs/dbraw/zinc/02/07/00/554020700.db2.gz	MSKBOXGDSPENHO-UHFFFAOYSA-N	0	0	640.719	3.097	50	0		KGAARN
CCOC(=O)c1ccc(NC(=O)CSc2nnc(CNC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)n2-c2ccc(F)cc2)cc1	ZINC000097985095	554020818	/nfs/dbraw/zinc/02/08/18/554020818.db2.gz	SRYNGCXMCYMSSH-UHFFFAOYSA-N	0	0	682.756	3.265	50	0		KGAARN
O=C(CSc1nnc(CNC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)n1-c1ccc(F)cc1)N1CCc2ccccc21	ZINC000097985097	554020784	/nfs/dbraw/zinc/02/07/84/554020784.db2.gz	GPAGURUSBDPLIP-UHFFFAOYSA-N	0	0	636.731	3.039	50	0		KGAARN
O=C(CSc1nnc(CNC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)n1-c1ccc(F)cc1)N1CCCc2ccccc21	ZINC000097985098	554020791	/nfs/dbraw/zinc/02/07/91/554020791.db2.gz	FSRHPTQDAXMKEM-UHFFFAOYSA-N	0	0	650.758	3.429	50	0		KGAARN
COc1ccccc1-n1c(CNC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)nnc1SCC(=O)Nc1cccc(C)c1	ZINC000097985099	554020738	/nfs/dbraw/zinc/02/07/38/554020738.db2.gz	VCJXYZMWBLCZCT-UHFFFAOYSA-N	0	0	636.756	3.266	50	0		KGAARN
COc1ccccc1-n1c(CNC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)nnc1SCC(=O)Nc1ccc(F)cc1	ZINC000097985100	554020859	/nfs/dbraw/zinc/02/08/59/554020859.db2.gz	TYBHQTHQMUONIE-UHFFFAOYSA-N	0	0	640.719	3.097	50	0		KGAARN
CCOC(=O)c1ccc(NC(=O)CSc2nnc(CNC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)n2-c2ccccc2OC)cc1	ZINC000097985103	554020718	/nfs/dbraw/zinc/02/07/18/554020718.db2.gz	DFALZFXWBIKDEV-UHFFFAOYSA-N	0	0	694.792	3.134	50	0		KGAARN
COc1ccccc1-n1c(CNC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)nnc1SCC(=O)N1CCCc2ccccc21	ZINC000097985106	554020841	/nfs/dbraw/zinc/02/08/41/554020841.db2.gz	AIIWOAOFJYYMGY-UHFFFAOYSA-N	0	0	662.794	3.298	50	0		KGAARN
COc1ccc(OC)c(-n2c(CNC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)nnc2SCC(=O)Nc2ccc(F)cc2)c1	ZINC000097985156	554021383	/nfs/dbraw/zinc/02/13/83/554021383.db2.gz	AXAVLLDKAXOWRF-UHFFFAOYSA-N	0	0	628.708	3.335	50	0		KGAARN
COc1ccc(NC(=O)CSc2nnc(CNC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)n2-c2cc(OC)ccc2OC)cc1	ZINC000097985158	554021397	/nfs/dbraw/zinc/02/13/97/554021397.db2.gz	CAKYRQKWNBSAFB-UHFFFAOYSA-N	0	0	640.744	3.204	50	0		KGAARN
CCOC(=O)c1ccc(NC(=O)CSc2nnc(CNC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)n2-c2cc(OC)ccc2OC)cc1	ZINC000097985159	554021394	/nfs/dbraw/zinc/02/13/94/554021394.db2.gz	NNZYONPSSWLVLD-UHFFFAOYSA-N	0	0	682.781	3.372	50	0		KGAARN
COc1ccc(OC)c(-n2c(CNC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)nnc2SCC(=O)N2CCc3ccccc32)c1	ZINC000097985161	554021376	/nfs/dbraw/zinc/02/13/76/554021376.db2.gz	DLPYMSJGAUMAFN-UHFFFAOYSA-N	0	0	636.756	3.146	50	0		KGAARN
Cc1ccc(C)c(-n2c(CNC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)nnc2SCC(=O)Nc2nccs2)c1	ZINC000097985181	554021318	/nfs/dbraw/zinc/02/13/18/554021318.db2.gz	BJVAHJKYIAKANB-UHFFFAOYSA-N	0	0	627.774	3.022	50	0		KGAARN
COc1ccc(OC)c(-n2c(CNC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)nnc2SCC(=O)Nc2cccc(C)c2)c1	ZINC000097985184	554021601	/nfs/dbraw/zinc/02/16/01/554021601.db2.gz	PHXDBFXSHOANRZ-UHFFFAOYSA-N	0	0	666.782	3.275	50	0		KGAARN
COc1ccc(OC)c(-n2c(CNC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)nnc2SCC(=O)Nc2ccc(F)cc2)c1	ZINC000097985185	554021577	/nfs/dbraw/zinc/02/15/77/554021577.db2.gz	QCWBRRJMPGHAHL-UHFFFAOYSA-N	0	0	670.745	3.105	50	0		KGAARN
CCOC(=O)c1ccc(NC(=O)CSc2nnc(CNC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)n2-c2cc(OC)ccc2OC)cc1	ZINC000097985188	554021580	/nfs/dbraw/zinc/02/15/80/554021580.db2.gz	BEPXDIDGCOHEHU-UHFFFAOYSA-N	0	0	724.818	3.143	50	0		KGAARN
COc1ccc(OC)c(-n2c(CNC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)nnc2SCC(=O)N2CCCc3ccccc32)c1	ZINC000097985191	554021641	/nfs/dbraw/zinc/02/16/41/554021641.db2.gz	VZYBYSXYTTXVRO-UHFFFAOYSA-N	0	0	692.820	3.307	50	0		KGAARN
CCOc1ccc(-n2c(CNC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)nnc2SCC(=O)Nc2ccc(F)cc2)cc1	ZINC000097985193	554021606	/nfs/dbraw/zinc/02/16/06/554021606.db2.gz	HDEPBNNLPAFUOJ-UHFFFAOYSA-N	0	0	654.746	3.487	50	0		KGAARN
CCOc1ccc(-n2c(CNC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)nnc2SCC(=O)Nc2ccc(OC)cc2)cc1	ZINC000097985195	554021623	/nfs/dbraw/zinc/02/16/23/554021623.db2.gz	PJFDZHUXIPHCIE-UHFFFAOYSA-N	0	0	666.782	3.356	50	0		KGAARN
CCOc1ccc(-n2c(CNC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)nnc2SCC(=O)N2CCc3ccccc32)cc1	ZINC000097985198	554021644	/nfs/dbraw/zinc/02/16/44/554021644.db2.gz	PTBFJVRTZAWCHP-UHFFFAOYSA-N	0	0	662.794	3.298	50	0		KGAARN
C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)Nc3ccncc3NC(=O)c3ccc(S(=O)(=O)N4C[C@@H](C)O[C@@H](C)C4)cc3)cc2)C[C@H](C)O1	ZINC000097985238	554021911	/nfs/dbraw/zinc/02/19/11/554021911.db2.gz	NBBYESGCZCUTMK-MESAYYPLSA-N	0	0	671.798	3.182	50	0		KGAARN
C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)Nc3ccncc3NC(=O)c3ccc(S(=O)(=O)N4C[C@@H](C)O[C@@H](C)C4)cc3)cc2)C[C@@H](C)O1	ZINC000097985240	554021879	/nfs/dbraw/zinc/02/18/79/554021879.db2.gz	NBBYESGCZCUTMK-ODAXIHTASA-N	0	0	671.798	3.182	50	0		KGAARN
CCOC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)Nc3cccc(NC(=O)c4ccc(S(=O)(=O)N5CCN(C(=O)OCC)CC5)cc4)c3)cc2)CC1	ZINC000097985296	554022530	/nfs/dbraw/zinc/02/25/30/554022530.db2.gz	DXPSKQRAACCVRP-UHFFFAOYSA-N	0	0	756.860	3.117	50	0		KGAARN
COc1ccc(Br)cc1S(=O)(=O)N1CCN(S(=O)(=O)c2cc(Br)ccc2OC)[C@H](C)C1	ZINC000097985301	554022470	/nfs/dbraw/zinc/02/24/70/554022470.db2.gz	NVRNJQDBJWPESF-CYBMUJFWSA-N	0	0	598.335	3.313	50	0		KGAARN
COc1ccc(C(=O)Nc2cc(C(=O)N3CCN(C(C)=O)CC3)ccc2N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc1	ZINC000097985367	554023076	/nfs/dbraw/zinc/02/30/76/554023076.db2.gz	SMMKCIVUGKMYRH-RDGATRHJSA-N	0	0	569.662	3.037	50	0		KGAARN
O=C(CCc1nc2ccccc2c(=O)[nH]1)NCCN1C(=O)SC(=Cc2ccc(OC(F)F)cc2)C1=O	ZINC000097986002	554023370	/nfs/dbraw/zinc/02/33/70/554023370.db2.gz	PMKHKZHRUPQDCN-QGOAFFKASA-N	0	0	514.510	3.310	50	0		KGAARN
O=C(NCCN1C(=O)S/C(=C/c2ccc(OC(F)F)cc2)C1=O)c1cccc(N2C(=O)CCC2=O)c1	ZINC000097986007	554023413	/nfs/dbraw/zinc/02/34/13/554023413.db2.gz	ORBWAZAYPWYWAB-LDADJPATSA-N	0	0	515.494	3.408	50	0		KGAARN
Cc1cc(NC(=O)CSc2nc3ccccc3c(=O)n2CCC(=O)N2CCN(c3ccccc3)CC2)no1	ZINC000097986364	554023466	/nfs/dbraw/zinc/02/34/66/554023466.db2.gz	NYSDEBWIKKRJKL-UHFFFAOYSA-N	0	0	532.626	3.163	50	0		KGAARN
COc1cc(/C=c2/sc3n(c2=O)[C@H](c2cccs2)C(C(=O)Nc2ccccc2C)=C(C)N=3)ccc1OCC(N)=O	ZINC000097986547	554025165	/nfs/dbraw/zinc/02/51/65/554025165.db2.gz	IOPUQYSOWMWIKE-ZKZBLMLZSA-N	0	0	574.684	3.117	50	0		KGAARN
COc1cc(/C=c2/sc3n(c2=O)[C@@H](c2cccs2)C(C(=O)Nc2ccccc2C)=C(C)N=3)ccc1OCC(N)=O	ZINC000097986548	554025135	/nfs/dbraw/zinc/02/51/35/554025135.db2.gz	IOPUQYSOWMWIKE-QTQKINJDSA-N	0	0	574.684	3.117	50	0		KGAARN
COc1cc(OC)c(NC(=O)Cn2c3ccccc3c(=O)n(-c3ccc(CC(=O)NC[C@@H]4CCCO4)cc3)c2=O)cc1Cl	ZINC000097986771	554025482	/nfs/dbraw/zinc/02/54/82/554025482.db2.gz	UAZREXOTZBVESH-NRFANRHFSA-N	0	0	607.063	3.299	50	0		KGAARN
COc1cc(OC)c(NC(=O)Cn2c3ccccc3c(=O)n(-c3ccc(CC(=O)NC[C@H]4CCCO4)cc3)c2=O)cc1Cl	ZINC000097986772	554025468	/nfs/dbraw/zinc/02/54/68/554025468.db2.gz	UAZREXOTZBVESH-OAQYLSRUSA-N	0	0	607.063	3.299	50	0		KGAARN
O=C(Cn1c2ccccc2c(=O)n(CC2CCC(C(=O)NCCc3ccccc3)CC2)c1=O)NCc1ccco1	ZINC000097986789	554025707	/nfs/dbraw/zinc/02/57/07/554025707.db2.gz	ZGWHDNXBGSVNJL-UHFFFAOYSA-N	0	0	542.636	3.238	50	0		KGAARN
O=C(NCCc1ccccc1)C1CCC(Cn2c(=O)c3ccccc3n(Cc3cc(=O)n4ccccc4n3)c2=O)CC1	ZINC000097986792	554025701	/nfs/dbraw/zinc/02/57/01/554025701.db2.gz	VOKXZKZRMUOZCV-UHFFFAOYSA-N	0	0	563.658	3.385	50	0		KGAARN
COc1ccc(CCNC(=O)Cn2c3ccccc3c(=O)n(CC3CCC(C(=O)NC4CCCC4)CC3)c2=O)cc1OC	ZINC000097986794	554025681	/nfs/dbraw/zinc/02/56/81/554025681.db2.gz	DVRIWCHRZHIFPP-UHFFFAOYSA-N	0	0	590.721	3.405	50	0		KGAARN
COc1ccc(CCNC(=O)CN2c3ccccc3S(=O)(=O)N(c3ccc(C(C)=O)cc3)C2=O)cc1OC	ZINC000097986991	554026659	/nfs/dbraw/zinc/02/66/59/554026659.db2.gz	ACJNOTZZWTUCAG-UHFFFAOYSA-N	0	0	537.594	3.401	50	0		KGAARN
COc1ccc(C(C)C)cc1S(=O)(=O)NCCN1CCN(S(=O)(=O)c2cc(C(C)C)ccc2OC)CC1	ZINC000097987832	554027511	/nfs/dbraw/zinc/02/75/11/554027511.db2.gz	UMAOMLGRZQIRMD-UHFFFAOYSA-N	0	0	553.747	3.235	50	0		KGAARN
Cn1c2nc(CN3CCN(c4ccc(F)cc4)CC3)n(Cc3c(Cl)cccc3Cl)c2c(=O)n(C)c1=O	ZINC000097987836	554027577	/nfs/dbraw/zinc/02/75/77/554027577.db2.gz	QCVANIXGWVGRGM-UHFFFAOYSA-N	0	0	531.419	3.250	50	0		KGAARN
Cn1c2nc(CN(Cc3ccccc3)Cc3ccccc3)n(CC(=O)OCc3ccccc3)c2c(=O)n(C)c1=O	ZINC000097987851	554027504	/nfs/dbraw/zinc/02/75/04/554027504.db2.gz	RGYCPTBCDRYYJV-UHFFFAOYSA-N	0	0	537.620	3.380	50	0		KGAARN
O=C(CSc1nnc(NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)s1)Nc1ccc2c(c1)OCO2	ZINC000097987876	554027908	/nfs/dbraw/zinc/02/79/08/554027908.db2.gz	UTGREMUVWMBTKI-UHFFFAOYSA-N	0	0	547.640	3.034	50	0		KGAARN
O=C(CSc1nnc(NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)s1)Nc1ccc2c(c1)OCCO2	ZINC000097987877	554027815	/nfs/dbraw/zinc/02/78/15/554027815.db2.gz	IUUZFSQEJQMRQS-UHFFFAOYSA-N	0	0	561.667	3.077	50	0		KGAARN
O=C(CSc1nnc(NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)s1)NCc1ccc(F)cc1	ZINC000097987878	554027897	/nfs/dbraw/zinc/02/78/97/554027897.db2.gz	GQRFKQCBSLYLJL-UHFFFAOYSA-N	0	0	535.648	3.123	50	0		KGAARN
CN(C)S(=O)(=O)c1ccc(C(=O)Nc2nnc(SCC(=O)NCc3ccccc3Cl)s2)cc1	ZINC000097987883	554027919	/nfs/dbraw/zinc/02/79/19/554027919.db2.gz	COTOJRMZEGIXRH-UHFFFAOYSA-N	0	0	526.065	3.103	50	0		KGAARN
C[C@H](CSc1nnnn1-c1ccccc1)Cn1c(N2CCC(Cc3ccccc3)CC2)nc2c1c(=O)[nH]c(=O)n2C	ZINC000097990163	554028413	/nfs/dbraw/zinc/02/84/13/554028413.db2.gz	YKVGBDGUDWAXHB-FQEVSTJZSA-N	0	0	571.711	3.287	50	0		KGAARN
C[C@@H](CSc1nnnn1-c1ccccc1)Cn1c(N2CCC(Cc3ccccc3)CC2)nc2c1c(=O)[nH]c(=O)n2C	ZINC000097990164	554028552	/nfs/dbraw/zinc/02/85/52/554028552.db2.gz	YKVGBDGUDWAXHB-HXUWFJFHSA-N	0	0	571.711	3.287	50	0		KGAARN
COc1ccc(C(=O)NCCc2nnc3ccc(SCC(=O)Nc4cc(Cl)ccc4OC)nn32)cc1	ZINC000097990172	554028748	/nfs/dbraw/zinc/02/87/48/554028748.db2.gz	YDYSBUFDGVWPQI-UHFFFAOYSA-N	0	0	527.006	3.498	50	0		KGAARN
CCOC(=O)c1ccc(NC(=O)CSc2ccc3nnc(CCNC(=O)c4ccc(OC)cc4)n3n2)cc1	ZINC000097990177	554028759	/nfs/dbraw/zinc/02/87/59/554028759.db2.gz	SXEDIIGAOSBXRG-UHFFFAOYSA-N	0	0	534.598	3.013	50	0		KGAARN
O=S(=O)(c1ccc2oc(=S)n(CN3CCN(C/C=C\c4ccccc4)CC3)c2c1)N1CCOCC1	ZINC000097990441	1060006497	/nfs/dbraw/zinc/00/64/97/1060006497.db2.gz	JBRUHCBFQTUUAU-DAXSKMNVSA-N	0	0	514.673	3.273	50	0		KGAARN
COc1ccc(CCNC(=O)CS(=O)(=O)c2cn(CC(=O)N3CCCCCC3)c3ccccc23)cc1OC	ZINC000097990806	554028730	/nfs/dbraw/zinc/02/87/30/554028730.db2.gz	ZYVUKJSIFNZNSP-UHFFFAOYSA-N	0	0	541.670	3.194	50	0		KGAARN
COc1ccc(CCNC(=O)CS(=O)(=O)c2cn(CC(=O)N3CCC(C)CC3)c3ccccc23)cc1OC	ZINC000097990809	554028737	/nfs/dbraw/zinc/02/87/37/554028737.db2.gz	AHOCZQUADXDYDD-UHFFFAOYSA-N	0	0	541.670	3.050	50	0		KGAARN
CC(=O)Nc1nnc(SCc2cc(=O)c(OC(=O)c3ccc(S(=O)(=O)N4CCCCC4)cc3)co2)s1	ZINC000097990821	554029089	/nfs/dbraw/zinc/02/90/89/554029089.db2.gz	KPYORKQQFBLGAG-UHFFFAOYSA-N	0	0	550.640	3.136	50	0		KGAARN
CCC(=O)Nc1nnc(SCc2cc(=O)c(OC(=O)c3ccc(S(=O)(=O)N(CC)CC)cc3)co2)s1	ZINC000097990827	554029048	/nfs/dbraw/zinc/02/90/48/554029048.db2.gz	MUZGZAVQOILNBH-UHFFFAOYSA-N	0	0	552.656	3.382	50	0		KGAARN
CCN(CC)S(=O)(=O)c1ccc(C(=O)Oc2coc(CSc3nnc(NC(=O)C4CC4)s3)cc2=O)cc1	ZINC000097990838	554029034	/nfs/dbraw/zinc/02/90/34/554029034.db2.gz	DGWFKJQXRSEKPY-UHFFFAOYSA-N	0	0	564.667	3.382	50	0		KGAARN
O=C(Nc1nnc(SCc2cc(=O)c(OC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)co2)s1)C1CC1	ZINC000097990839	554029051	/nfs/dbraw/zinc/02/90/51/554029051.db2.gz	CIXLAYNBLBVDII-UHFFFAOYSA-N	0	0	562.651	3.136	50	0		KGAARN
CCC(CC)C(=O)Nc1nnc(SCc2cc(=O)c(OC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)co2)s1	ZINC000097990868	554029399	/nfs/dbraw/zinc/02/93/99/554029399.db2.gz	KJNDKVOMLKSLDH-UHFFFAOYSA-N	0	0	608.720	3.398	50	0		KGAARN
O=C(Nc1nnc(SCc2cc(=O)c(OC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)co2)s1)c1cccs1	ZINC000097990901	554030098	/nfs/dbraw/zinc/03/00/98/554030098.db2.gz	YWHPKPYQJMLRAC-UHFFFAOYSA-N	0	0	620.712	3.338	50	0		KGAARN
O=C(CN1CCN(c2ccc(F)cc2)CC1)NCCN1C(=O)S/C(=C/c2ccccc2Cl)C1=O	ZINC000097993246	1060006605	/nfs/dbraw/zinc/00/66/05/1060006605.db2.gz	YUMXUJARVUERMM-RCCKNPSSSA-N	0	0	502.999	3.454	50	0		KGAARN
O=C(CSc1nnc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)s1)c1ccccc1	ZINC000097993274	554030871	/nfs/dbraw/zinc/03/08/71/554030871.db2.gz	ZMNNHJNUUFVCLP-UHFFFAOYSA-N	0	0	539.060	3.440	50	0		KGAARN
CCOC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)Nc3nnc(-c4ccc5c(c4)CCCC5)o3)cc2)CC1	ZINC000097993349	554031258	/nfs/dbraw/zinc/03/12/58/554031258.db2.gz	NUBZWUBJRBDLKJ-UHFFFAOYSA-N	0	0	539.614	3.331	50	0		KGAARN
CCN(C(=O)COC(=O)C=Cc1ccc(Cl)c(Cl)c1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	ZINC000097994048	1060006561	/nfs/dbraw/zinc/00/65/61/1060006561.db2.gz	FDKAWRMCPCJHBL-LUAWRHEFSA-N	0	0	517.369	3.083	50	0		KGAARN
O=C1c2ccccc2C(=O)N1N1C(=O)c2ccc(Oc3ccc4c(c3)C(=O)N(N3C(=O)c5ccccc5C3=O)C4=O)cc2C1=O	ZINC000097994432	554031855	/nfs/dbraw/zinc/03/18/55/554031855.db2.gz	NXFIYYSTCYHBFR-UHFFFAOYSA-N	0	0	598.483	3.093	50	0		KGAARN
O=c1c2cc3c(cc2c(=O)n1-c1ccc(I)cc1)c(=O)n(-c1ccc(I)cc1)c3=O	ZINC000097994466	554031814	/nfs/dbraw/zinc/03/18/14/554031814.db2.gz	KSRLBFZKUWTUEF-UHFFFAOYSA-N	0	0	620.140	3.100	50	0		KGAARN
Cc1ccc(C)c(NC(=O)CCSc2nnc(NC(=O)CCN3C(=O)c4ccccc4S3(=O)=O)s2)c1	ZINC000097994909	554032918	/nfs/dbraw/zinc/03/29/18/554032918.db2.gz	UKAGFKMFTSYRIB-UHFFFAOYSA-N	0	0	545.668	3.449	50	0		KGAARN
O=C(NCCCC(=O)N1CCOCCOCCN(C(=O)CCCNC(=O)OCc2ccccc2)CCOCCOCC1)OCc1ccccc1	ZINC000097994914	554032904	/nfs/dbraw/zinc/03/29/04/554032904.db2.gz	FVVXVAGXOBRCAI-UHFFFAOYSA-N	0	0	700.830	3.137	50	0		KGAARN
COc1c(NC(=O)CSc2nc(N)cc(=O)[nH]2)cc(Br)c(Br)c1Br	ZINC000097995366	554034544	/nfs/dbraw/zinc/03/45/44/554034544.db2.gz	CPBBYEWWOXTYRJ-UHFFFAOYSA-N	0	0	543.035	3.379	50	0		KGAARN
CCOC(=O)c1ccc(N2C(=O)[C@H](CC(=O)Nc3ccc(Cl)cc3)N(CCN3CCOCC3)C2=S)cc1	ZINC000097995478	554035265	/nfs/dbraw/zinc/03/52/65/554035265.db2.gz	QNAWKDMESFYORO-QFIPXVFZSA-N	0	0	545.061	3.180	50	0		KGAARN
CCOC(=O)c1ccc(N2C(=O)[C@@H](CC(=O)Nc3ccc(Cl)cc3)N(CCN3CCOCC3)C2=S)cc1	ZINC000097995479	554035183	/nfs/dbraw/zinc/03/51/83/554035183.db2.gz	QNAWKDMESFYORO-JOCHJYFZSA-N	0	0	545.061	3.180	50	0		KGAARN
O=C(CSc1nc2ccc(Nc3nc(N4CCOCC4)nc(N4CCOCC4)n3)cc2s1)NC1CCCCC1	ZINC000097995715	554037024	/nfs/dbraw/zinc/03/70/24/554037024.db2.gz	KAHSLAWRQSSPSC-UHFFFAOYSA-N	0	0	570.745	3.439	50	0		KGAARN
COc1cccc(N2C(=O)[C@H](CC(=O)Nc3ccc(F)cc3)N(NC(=O)c3cc(OC)cc(OC)c3)C2=O)c1	ZINC000097995823	554037862	/nfs/dbraw/zinc/03/78/62/554037862.db2.gz	GJEHMYVOPSHEGU-QHCPKHFHSA-N	0	0	536.516	3.363	50	0		KGAARN
COc1cccc(N2C(=O)[C@@H](CC(=O)Nc3ccc(F)cc3)N(NC(=O)c3cc(OC)cc(OC)c3)C2=O)c1	ZINC000097995824	554037803	/nfs/dbraw/zinc/03/78/03/554037803.db2.gz	GJEHMYVOPSHEGU-HSZRJFAPSA-N	0	0	536.516	3.363	50	0		KGAARN
COC(=O)c1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(OC)cc3)C(=O)N2NC(=O)c2cc(OC)cc(OC)c2)cc1	ZINC000097996927	554038702	/nfs/dbraw/zinc/03/87/02/554038702.db2.gz	WVXKMMUDVILUQT-DEOSSOPVSA-N	0	0	576.562	3.010	50	0		KGAARN
COC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(OC)cc3)C(=O)N2NC(=O)c2cc(OC)cc(OC)c2)cc1	ZINC000097996928	554038666	/nfs/dbraw/zinc/03/86/66/554038666.db2.gz	WVXKMMUDVILUQT-XMMPIXPASA-N	0	0	576.562	3.010	50	0		KGAARN
CNS(=O)(=O)c1cc(C=CC(=O)OCC(=O)c2ccc(NC(=O)c3ccccc3)cc2)ccc1OC	ZINC000097997166	1060006466	/nfs/dbraw/zinc/00/64/66/1060006466.db2.gz	VSFHOCARTAFYIW-DHDCSXOGSA-N	0	0	508.552	3.295	50	0		KGAARN
CCc1ccccc1NC(=O)COC(=O)CN1C(=O)c2ccc(C(=O)OCC(=O)Nc3ccccc3CC)cc2C1=O	ZINC000097998488	554041778	/nfs/dbraw/zinc/04/17/78/554041778.db2.gz	BVWLLNHXKIEKJH-UHFFFAOYSA-N	0	0	571.586	3.385	50	0		KGAARN
COc1ccc(NC(=O)Cn2c3sc4c(c3c(=O)n(-c3cccc(Cl)c3)c2=O)CCN(C(C)=O)C4)cc1OC	ZINC000097999307	554042003	/nfs/dbraw/zinc/04/20/03/554042003.db2.gz	GFJTXKKZEVPRDT-UHFFFAOYSA-N	0	0	569.039	3.428	50	0		KGAARN
COc1ccc(NC(=O)Cn2c3c4ccccc4oc3c(=O)n(Cc3ccc4c(c3)OCO4)c2=O)cc1OC	ZINC000097999317	554041954	/nfs/dbraw/zinc/04/19/54/554041954.db2.gz	HQLUZMLWFGWAHE-UHFFFAOYSA-N	0	0	529.505	3.342	50	0		KGAARN
COC(=O)c1ccc(NC(=O)CSc2ncc(S(=O)(=O)c3ccc(Br)cc3)c(O)n2)cc1	ZINC000097999343	554042393	/nfs/dbraw/zinc/04/23/93/554042393.db2.gz	DKNSZWJMAGGXII-UHFFFAOYSA-N	0	0	538.401	3.295	50	0		KGAARN
Cc1c(NC(=O)CCC(=O)Nc2ccc(S(=O)(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)cc2)c(=O)n(-c2ccccc2)n1C	ZINC000097999969	554047523	/nfs/dbraw/zinc/04/75/23/554047523.db2.gz	ASEWYHQXMKLRTA-UHFFFAOYSA-N	0	0	643.726	3.440	50	0		KGAARN
CN1C(=O)N(C)[C@@]2(c3ccccc3)Nn3c(=O)/c(=C\c4ccc(Br)cc4)sc3=N[C@]12c1ccccc1	ZINC000097999996	554047890	/nfs/dbraw/zinc/04/78/90/554047890.db2.gz	HEZFZRZDWSGYCE-UBNMZGFOSA-N	0	0	560.477	3.381	50	0		KGAARN
CN1C(=O)N(C)[C@@]2(c3ccccc3)Nn3c(=O)/c(=C\c4ccc(Br)cc4)sc3=N[C@@]12c1ccccc1	ZINC000097999997	554047845	/nfs/dbraw/zinc/04/78/45/554047845.db2.gz	HEZFZRZDWSGYCE-IPDKQNQHSA-N	0	0	560.477	3.381	50	0		KGAARN
CN1C(=O)N(C)[C@@]2(c3ccccc3)N=c3s/c(=C/c4ccc(Br)cc4)c(=O)n3N[C@@]12c1ccccc1	ZINC000097999998	554047894	/nfs/dbraw/zinc/04/78/94/554047894.db2.gz	HEZFZRZDWSGYCE-KQAMPPAFSA-N	0	0	560.477	3.381	50	0		KGAARN
CN1C(=O)N(C)[C@]2(c3ccccc3)Nn3c(=O)/c(=C\c4ccc(Br)cc4)sc3=N[C@@]12c1ccccc1	ZINC000097999999	554047761	/nfs/dbraw/zinc/04/77/61/554047761.db2.gz	HEZFZRZDWSGYCE-XPKIUNLXSA-N	0	0	560.477	3.381	50	0		KGAARN
CNC(=O)COc1ccc(Nc2nnc(-c3ccc(C)c(S(=O)(=O)N4CCN(C)CC4)c3)c3ccccc32)cc1	ZINC000098000131	554048759	/nfs/dbraw/zinc/04/87/59/554048759.db2.gz	XECONXBBCNRJOR-UHFFFAOYSA-N	0	0	560.680	3.410	50	0		KGAARN
CC(=O)OC[C@H]1O[C@@H](Oc2c(Br)cc(Br)c3cccnc32)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000098000244	554049603	/nfs/dbraw/zinc/04/96/03/554049603.db2.gz	FNOOSGJEDZPNAA-PHNZBSFLSA-N	0	0	633.242	3.222	50	0		KGAARN
CC(=O)OC[C@H]1O[C@H](Oc2c(Br)cc(Br)c3cccnc32)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000098000245	554049551	/nfs/dbraw/zinc/04/95/51/554049551.db2.gz	FNOOSGJEDZPNAA-LDBVRRDLSA-N	0	0	633.242	3.222	50	0		KGAARN
COc1ccc(OC)c(N(CC(=O)NCCCNC(=O)CN(c2cc(OC)ccc2OC)S(=O)(=O)c2ccccc2)S(=O)(=O)c2ccccc2)c1	ZINC000098002550	554053325	/nfs/dbraw/zinc/05/33/25/554053325.db2.gz	UTLXXXDAXPSNOS-UHFFFAOYSA-N	0	0	740.857	3.434	50	0		KGAARN
CC(=O)c1ccc(NC(=O)CSc2nnc(NC(=O)CN3CCN(CC(=O)Nc4nnc(SCC(=O)Nc5ccc(C(C)=O)cc5)s4)CC3)s2)cc1	ZINC000098002641	554053909	/nfs/dbraw/zinc/05/39/09/554053909.db2.gz	JFWXYKXRGGYPAQ-UHFFFAOYSA-N	0	0	782.956	3.451	50	0		KGAARN
O=C(NN1C(=O)[C@H]2[C@@H](C1=O)C1(Br)c3ccccc3C2(Br)c2ccccc21)C1CC1	ZINC000098002709	554054285	/nfs/dbraw/zinc/05/42/85/554054285.db2.gz	MVUDCMMCGVRFOA-RGMRCXJASA-N	0	0	516.189	3.333	50	0		KGAARN
CN1C(=O)N(C)[C@@]2(c3ccccc3)Nn3c(=O)/c(=C/c4cc5c(cc4Br)OCO5)sc3=N[C@]12c1ccccc1	ZINC000098002772	554054764	/nfs/dbraw/zinc/05/47/64/554054764.db2.gz	LQIIWGUYJZZPTB-UAHOJQKWSA-N	0	0	604.486	3.110	50	0		KGAARN
CN1C(=O)N(C)[C@@]2(c3ccccc3)Nn3c(=O)/c(=C/c4cc5c(cc4Br)OCO5)sc3=N[C@@]12c1ccccc1	ZINC000098002773	554054716	/nfs/dbraw/zinc/05/47/16/554054716.db2.gz	LQIIWGUYJZZPTB-YMEVFQODSA-N	0	0	604.486	3.110	50	0		KGAARN
CN1C(=O)N(C)[C@@]2(c3ccccc3)N=c3s/c(=C\c4cc5c(cc4Br)OCO5)c(=O)n3N[C@@]12c1ccccc1	ZINC000098002774	554054804	/nfs/dbraw/zinc/05/48/04/554054804.db2.gz	LQIIWGUYJZZPTB-IIAHLEOTSA-N	0	0	604.486	3.110	50	0		KGAARN
CN1C(=O)N(C)[C@]2(c3ccccc3)Nn3c(=O)/c(=C/c4cc5c(cc4Br)OCO5)sc3=N[C@@]12c1ccccc1	ZINC000098002775	554054777	/nfs/dbraw/zinc/05/47/77/554054777.db2.gz	LQIIWGUYJZZPTB-LOZFVKGBSA-N	0	0	604.486	3.110	50	0		KGAARN
COc1cc(/C=c2\sc3n(c2=O)N[C@]2(c4ccccc4)N(C)C(=O)N(C)[C@@]2(c2ccccc2)N=3)cc(Br)c1O	ZINC000098002776	554054758	/nfs/dbraw/zinc/05/47/58/554054758.db2.gz	MYYIEHNDDIGVMI-DCMMANFVSA-N	0	0	606.502	3.095	50	0		KGAARN
COc1cc(/C=c2\sc3n(c2=O)N[C@]2(c4ccccc4)N(C)C(=O)N(C)[C@]2(c2ccccc2)N=3)cc(Br)c1O	ZINC000098002777	554054703	/nfs/dbraw/zinc/05/47/03/554054703.db2.gz	MYYIEHNDDIGVMI-JPWWCHDGSA-N	0	0	606.502	3.095	50	0		KGAARN
COc1cc(/C=c2\sc3n(c2=O)N[C@@]2(c4ccccc4)N(C)C(=O)N(C)[C@@]2(c2ccccc2)N=3)cc(Br)c1O	ZINC000098002778	554054769	/nfs/dbraw/zinc/05/47/69/554054769.db2.gz	MYYIEHNDDIGVMI-OCYVMKLUSA-N	0	0	606.502	3.095	50	0		KGAARN
COc1cc(/C=c2\sc3n(c2=O)N[C@@]2(c4ccccc4)N(C)C(=O)N(C)[C@]2(c2ccccc2)N=3)cc(Br)c1O	ZINC000098002779	554054749	/nfs/dbraw/zinc/05/47/49/554054749.db2.gz	MYYIEHNDDIGVMI-JAIIUAFSSA-N	0	0	606.502	3.095	50	0		KGAARN
CCOC(=O)c1ccc(N2C(=O)[C@H](CC(=O)Nc3ccc(F)cc3)N(NC(=O)c3cccnc3)C2=S)cc1	ZINC000098005120	554056869	/nfs/dbraw/zinc/05/68/69/554056869.db2.gz	XZQXQJUSLXUQKD-NRFANRHFSA-N	0	0	535.557	3.073	50	0		KGAARN
CCOC(=O)c1ccc(N2C(=O)[C@@H](CC(=O)Nc3ccc(F)cc3)N(NC(=O)c3cccnc3)C2=S)cc1	ZINC000098005121	554056847	/nfs/dbraw/zinc/05/68/47/554056847.db2.gz	XZQXQJUSLXUQKD-OAQYLSRUSA-N	0	0	535.557	3.073	50	0		KGAARN
CCN(CC)C(=O)C1CCN(S(=O)(=O)c2cccc3c2cccc3S(=O)(=O)N2CCC(C(=O)N(CC)CC)CC2)CC1	ZINC000098005153	554057077	/nfs/dbraw/zinc/05/70/77/554057077.db2.gz	RUGUBZOSOVNIBB-UHFFFAOYSA-N	0	0	620.838	3.378	50	0		KGAARN
CCOc1ccc(/C=C2/SC(=O)N(CCNC(=O)C[C@H](NC(N)=O)c3ccccc3C)C2=O)cc1OC	ZINC000098005570	554058319	/nfs/dbraw/zinc/05/83/19/554058319.db2.gz	WGNCCVOXGKKGTE-KWJZBXMYSA-N	0	0	526.615	3.355	50	0		KGAARN
CCOc1ccc(/C=C2/SC(=O)N(CCNC(=O)C[C@@H](NC(N)=O)c3ccccc3C)C2=O)cc1OC	ZINC000098005571	554058263	/nfs/dbraw/zinc/05/82/63/554058263.db2.gz	WGNCCVOXGKKGTE-VZMFNRANSA-N	0	0	526.615	3.355	50	0		KGAARN
CCOc1ccc(/C=C2/SC(=O)N(CCNC(=O)C[C@H](NC(N)=O)c3cccc(C)c3)C2=O)cc1OC	ZINC000098005572	554058255	/nfs/dbraw/zinc/05/82/55/554058255.db2.gz	WNXNOTRKYMXDOB-KWJZBXMYSA-N	0	0	526.615	3.355	50	0		KGAARN
CCOc1ccc(/C=C2/SC(=O)N(CCNC(=O)C[C@@H](NC(N)=O)c3cccc(C)c3)C2=O)cc1OC	ZINC000098005573	554058260	/nfs/dbraw/zinc/05/82/60/554058260.db2.gz	WNXNOTRKYMXDOB-VZMFNRANSA-N	0	0	526.615	3.355	50	0		KGAARN
C[C@@H]1N[C@@]2(c3ccccc3N(CC(=O)N3CCc4ccccc43)C2=O)[C@@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@H]21	ZINC000098006371	554061732	/nfs/dbraw/zinc/06/17/32/554061732.db2.gz	JMBVWTIZYQPIAZ-CTBQJWAWSA-N	0	0	541.007	3.269	50	0		KGAARN
Cn1c2nc(N3CCCCC3)n(C[C@H](O)COc3c(Br)cc(Br)cc3Br)c2c(=O)[nH]c1=O	ZINC000098006771	554062005	/nfs/dbraw/zinc/06/20/05/554062005.db2.gz	MRUMSPSSIMAXED-LBPRGKRZSA-N	0	0	636.139	3.141	50	0		KGAARN
Cn1c2nc(N3CCCCC3)n(C[C@@H](O)COc3c(Br)cc(Br)cc3Br)c2c(=O)[nH]c1=O	ZINC000098006772	554062079	/nfs/dbraw/zinc/06/20/79/554062079.db2.gz	MRUMSPSSIMAXED-GFCCVEGCSA-N	0	0	636.139	3.141	50	0		KGAARN
COC(=O)c1cc(-c2ccc(C)cc2)n(-c2nc3c(c(=O)n(C)c(=O)n3C)n2C/C=C\c2ccccc2)n1	ZINC000098006874	1060006899	/nfs/dbraw/zinc/00/68/99/1060006899.db2.gz	LLZAAKLYEGOGPN-FLIBITNWSA-N	0	0	510.554	3.095	50	0		KGAARN
CN1C2=C(C(=O)N(c3ccc(N4CC5=C(C4=O)[C@H](c4ccc(O)cc4)NC(=O)N5C)cc3)C2)[C@@H](c2ccc(O)cc2)NC1=O	ZINC000098007084	554062961	/nfs/dbraw/zinc/06/29/61/554062961.db2.gz	CTBXRKCFBZGCOB-HNRBIFIRSA-N	0	0	592.612	3.092	50	0		KGAARN
COc1ccc(-c2c3c(nc(C)c2C(C)=O)sc2c3nnn(-c3ccc(S(N)(=O)=O)cc3)c2=O)cc1	ZINC000098007411	554064250	/nfs/dbraw/zinc/06/42/50/554064250.db2.gz	FQGBJAMFMDYVHL-UHFFFAOYSA-N	0	0	521.580	3.224	50	0		KGAARN
O=C(NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1	ZINC000098008012	554065315	/nfs/dbraw/zinc/06/53/15/554065315.db2.gz	YBVNKROHPJYJDC-UHFFFAOYSA-N	0	0	534.704	3.035	50	0		KGAARN
Cn1c2nc(SCc3cc4c(cc3Br)OCO4)n(Cc3ccccc3F)c2c(=O)n(C)c1=O	ZINC000098008015	554065711	/nfs/dbraw/zinc/06/57/11/554065711.db2.gz	CNHHUFWHMKXSIO-UHFFFAOYSA-N	0	0	533.379	3.405	50	0		KGAARN
Cc1cc(-n2cnnn2)cc(C)c1S(=O)(=O)N1CCN(c2nc3ccccc3nc2-c2ccccc2)CC1	ZINC000098008128	554066305	/nfs/dbraw/zinc/06/63/05/554066305.db2.gz	XSGLECQLKUSWDO-UHFFFAOYSA-N	0	0	526.626	3.400	50	0		KGAARN
CCOC(=O)c1c(C)nc2sc3c(nnn(-c4ccc(S(N)(=O)=O)cc4)c3=O)c2c1-c1ccc(OC)cc1	ZINC000098008280	554067199	/nfs/dbraw/zinc/06/71/99/554067199.db2.gz	MKANRYSBZVNUDZ-UHFFFAOYSA-N	0	0	551.606	3.199	50	0		KGAARN
COc1ccc(C(=O)N[C@H](C(=O)NCCN2C(=O)S/C(=C/c3ccc4c(c3)OCO4)C2=O)C(C)C)cc1	ZINC000098008873	554067910	/nfs/dbraw/zinc/06/79/10/554067910.db2.gz	QQSFEAZZIHPREJ-JFLYLQGUSA-N	0	0	525.583	3.031	50	0		KGAARN
CCOC(=O)C1=C(CN(Cc2ccc3c(c2)OCO3)C(=O)c2ccncc2)NC(=O)N[C@@H]1c1ccc(OC)cc1	ZINC000098008902	554067732	/nfs/dbraw/zinc/06/77/32/554067732.db2.gz	NUGNSVBDYRNRNO-AREMUKBSSA-N	0	0	544.564	3.333	50	0		KGAARN
CCOC(=O)C1=C(CN(Cc2ccc3c(c2)OCO3)C(=O)c2ccncc2)NC(=O)N[C@H]1c1ccc(OC)cc1	ZINC000098008903	554067917	/nfs/dbraw/zinc/06/79/17/554067917.db2.gz	NUGNSVBDYRNRNO-SANMLTNESA-N	0	0	544.564	3.333	50	0		KGAARN
CCOC(=O)C1=C(CN(Cc2ccc3c(c2)OCO3)S(=O)(=O)c2ccccc2)NC(=O)N[C@@H]1c1ccc(OC)cc1	ZINC000098008904	554067925	/nfs/dbraw/zinc/06/79/25/554067925.db2.gz	FHJQVKBXMLLZGG-HHHXNRCGSA-N	0	0	579.631	3.486	50	0		KGAARN
CCOC(=O)C1=C(CN(Cc2ccc3c(c2)OCO3)S(=O)(=O)c2ccccc2)NC(=O)N[C@H]1c1ccc(OC)cc1	ZINC000098008905	554067767	/nfs/dbraw/zinc/06/77/67/554067767.db2.gz	FHJQVKBXMLLZGG-MHZLTWQESA-N	0	0	579.631	3.486	50	0		KGAARN
CCOC(=O)C1=C(CN(Cc2ccc3c(c2)OCO3)C(=O)c2cccnc2)NC(=O)N[C@@H]1c1ccc(OC)cc1	ZINC000098008906	554067806	/nfs/dbraw/zinc/06/78/06/554067806.db2.gz	LPOPDQMNJZBVDP-AREMUKBSSA-N	0	0	544.564	3.333	50	0		KGAARN
CCOC(=O)C1=C(CN(Cc2ccc3c(c2)OCO3)C(=O)c2cccnc2)NC(=O)N[C@H]1c1ccc(OC)cc1	ZINC000098008907	554067891	/nfs/dbraw/zinc/06/78/91/554067891.db2.gz	LPOPDQMNJZBVDP-SANMLTNESA-N	0	0	544.564	3.333	50	0		KGAARN
CC[C@H](C)[C@H](NC(=O)[C@@H](CC(=O)OCc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)OC	ZINC000098009092	554069388	/nfs/dbraw/zinc/06/93/88/554069388.db2.gz	GBJLPVNMWGIESU-GUFCLIDSSA-N	0	0	597.709	3.445	50	0	biogenic	KGAARN
CCOc1ccc(CCNC(=O)Cn2cnc3sc(C)c(S(=O)(=O)N4CCC(C)CC4)c3c2=O)cc1OCC	ZINC000098009121	554069344	/nfs/dbraw/zinc/06/93/44/554069344.db2.gz	WBSULNAYKWMVDQ-UHFFFAOYSA-N	0	0	576.741	3.343	50	0		KGAARN
COc1ccccc1N1CCN(S(=O)(=O)c2c(C)sc3ncn(CC(=O)N(C)C4CCCCC4)c(=O)c32)CC1	ZINC000098009130	554069419	/nfs/dbraw/zinc/06/94/19/554069419.db2.gz	HLCZKXNSOPQZOU-UHFFFAOYSA-N	0	0	573.741	3.077	50	0		KGAARN
O=C([C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Br)s1)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2	ZINC000098009618	554069740	/nfs/dbraw/zinc/06/97/40/554069740.db2.gz	DMCMMGHYWBOBNS-QYZOEREBSA-N	0	0	562.511	3.208	50	0		KGAARN
O=C([C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Br)s1)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2	ZINC000098009619	554069688	/nfs/dbraw/zinc/06/96/88/554069688.db2.gz	DMCMMGHYWBOBNS-CEXWTWQISA-N	0	0	562.511	3.208	50	0		KGAARN
O=C(CSc1nc2ccccc2c(=O)n1CC1CCC(C(=O)NC[C@@H]2CCCO2)CC1)NCc1ccco1	ZINC000098009653	554069858	/nfs/dbraw/zinc/06/98/58/554069858.db2.gz	CLFPRZOATXGXKO-AOMIVXANSA-N	0	0	538.670	3.500	50	0		KGAARN
O=C(CSc1nc2ccccc2c(=O)n1CC1CCC(C(=O)NC[C@H]2CCCO2)CC1)NCc1ccco1	ZINC000098009654	554069907	/nfs/dbraw/zinc/06/99/07/554069907.db2.gz	CLFPRZOATXGXKO-QETWGEEDSA-N	0	0	538.670	3.500	50	0		KGAARN
COc1ccc(CNC(=O)CCCCCn2c(=O)c3cc4c(cc3nc2SCC(=O)NC[C@@H]2CCCO2)OCO4)cc1	ZINC000098009680	554070223	/nfs/dbraw/zinc/07/02/23/554070223.db2.gz	VIHNNOINBPBFBA-QFIPXVFZSA-N	0	0	596.706	3.398	50	0		KGAARN
COc1ccc(CNC(=O)CCCCCn2c(=O)c3cc4c(cc3nc2SCC(=O)NC[C@H]2CCCO2)OCO4)cc1	ZINC000098009681	554070200	/nfs/dbraw/zinc/07/02/00/554070200.db2.gz	VIHNNOINBPBFBA-JOCHJYFZSA-N	0	0	596.706	3.398	50	0		KGAARN
COCCNC(=O)CSc1nc2ccsc2c(=O)n1CCCCCC(=O)NCCc1ccc(OC)c(OC)c1	ZINC000098009707	554070457	/nfs/dbraw/zinc/07/04/57/554070457.db2.gz	ZMQLROSWPNMNHN-UHFFFAOYSA-N	0	0	576.741	3.249	50	0		KGAARN
CCN1CCN(C(=O)CCN(CCCN2CCOCC2)c2nc(-c3ccc(OC)cc3)nc3ccccc32)CC1	ZINC000098009819	554071441	/nfs/dbraw/zinc/07/14/41/554071441.db2.gz	PZDMCJXKXGBLSH-UHFFFAOYSA-N	0	0	546.716	3.388	50	0		KGAARN
O=C(CCN(CCCN1CCOCC1)c1nc(-c2ccccc2Cl)nc2ccccc21)NCCN1CCOCC1	ZINC000098009845	554071587	/nfs/dbraw/zinc/07/15/87/554071587.db2.gz	RFOZCEMWAOJVKM-UHFFFAOYSA-N	0	0	567.134	3.317	50	0		KGAARN
CC(=O)N1CCN(C(=O)CN2c3c(c(-c4ccccc4)nn3C)[C@H](c3ccc(F)cc3F)SCC2=O)CC1	ZINC000098011648	554082971	/nfs/dbraw/zinc/08/29/71/554082971.db2.gz	JOBGWQDWEZULID-SANMLTNESA-N	0	0	539.608	3.225	50	0		KGAARN
CC(=O)N1CCN(C(=O)CN2c3c(c(-c4ccccc4)nn3C)[C@@H](c3ccc(F)cc3F)SCC2=O)CC1	ZINC000098011649	554082974	/nfs/dbraw/zinc/08/29/74/554082974.db2.gz	JOBGWQDWEZULID-AREMUKBSSA-N	0	0	539.608	3.225	50	0		KGAARN
O=C(NC[C@@H]1CCCO1)[C@@H]1COC2(CCN(C(=O)c3ccccc3Cl)CC2)N1C(=O)c1ccc(F)cc1	ZINC000098014625	554091487	/nfs/dbraw/zinc/09/14/87/554091487.db2.gz	ABLXPYZHRMNQLC-REWPJTCUSA-N	0	0	529.996	3.248	50	0		KGAARN
O=C(NC[C@@H]1CCCO1)[C@H]1COC2(CCN(C(=O)c3ccccc3Cl)CC2)N1C(=O)c1ccc(F)cc1	ZINC000098014626	554091505	/nfs/dbraw/zinc/09/15/05/554091505.db2.gz	ABLXPYZHRMNQLC-NZQKXSOJSA-N	0	0	529.996	3.248	50	0		KGAARN
O=C(NC[C@H]1CCCO1)[C@@H]1COC2(CCN(C(=O)c3ccccc3Cl)CC2)N1C(=O)c1ccc(F)cc1	ZINC000098014627	554091397	/nfs/dbraw/zinc/09/13/97/554091397.db2.gz	ABLXPYZHRMNQLC-OFNKIYASSA-N	0	0	529.996	3.248	50	0		KGAARN
O=C(NC[C@H]1CCCO1)[C@H]1COC2(CCN(C(=O)c3ccccc3Cl)CC2)N1C(=O)c1ccc(F)cc1	ZINC000098014628	554091427	/nfs/dbraw/zinc/09/14/27/554091427.db2.gz	ABLXPYZHRMNQLC-NFBKMPQASA-N	0	0	529.996	3.248	50	0		KGAARN
COc1ccc(C(=O)N2CCC3(CC2)OC[C@@H](C(=O)NCc2ccc4c(c2)OCO4)N3C(=O)c2ccc(F)cc2)cc1	ZINC000098014629	554091507	/nfs/dbraw/zinc/09/15/07/554091507.db2.gz	OFBWVIYSUOMGLC-VWLOTQADSA-N	0	0	575.593	3.353	50	0		KGAARN
COc1ccc(C(=O)N2CCC3(CC2)OC[C@H](C(=O)NCc2ccc4c(c2)OCO4)N3C(=O)c2ccc(F)cc2)cc1	ZINC000098014630	554091495	/nfs/dbraw/zinc/09/14/95/554091495.db2.gz	OFBWVIYSUOMGLC-RUZDIDTESA-N	0	0	575.593	3.353	50	0		KGAARN
COc1cccc(C(=O)N2CCC3(CC2)OC[C@@H](C(=O)NCc2cccnc2)N3C(=O)c2ccc(F)cc2)c1	ZINC000098014639	554091534	/nfs/dbraw/zinc/09/15/34/554091534.db2.gz	AVQHRMORIKBCPZ-VWLOTQADSA-N	0	0	532.572	3.019	50	0		KGAARN
COc1cccc(C(=O)N2CCC3(CC2)OC[C@H](C(=O)NCc2cccnc2)N3C(=O)c2ccc(F)cc2)c1	ZINC000098014640	554091466	/nfs/dbraw/zinc/09/14/66/554091466.db2.gz	AVQHRMORIKBCPZ-RUZDIDTESA-N	0	0	532.572	3.019	50	0		KGAARN
COc1cccc(OC)c1C(=O)N1CCC2(CC1)OC[C@@H](C(=O)NCc1ccco1)N2C(=O)c1ccc(F)cc1	ZINC000098014649	554091792	/nfs/dbraw/zinc/09/17/92/554091792.db2.gz	OGAWSDGHBUXTEV-QFIPXVFZSA-N	0	0	551.571	3.226	50	0		KGAARN
COc1cccc(OC)c1C(=O)N1CCC2(CC1)OC[C@H](C(=O)NCc1ccco1)N2C(=O)c1ccc(F)cc1	ZINC000098014650	554091783	/nfs/dbraw/zinc/09/17/83/554091783.db2.gz	OGAWSDGHBUXTEV-JOCHJYFZSA-N	0	0	551.571	3.226	50	0		KGAARN
COc1cccc(OC)c1C(=O)N1CCC2(CC1)OC[C@@H](C(=O)NCc1cccnc1)N2C(=O)c1ccc(F)cc1	ZINC000098014651	554091779	/nfs/dbraw/zinc/09/17/79/554091779.db2.gz	NUPJPSGOIJZJJD-QHCPKHFHSA-N	0	0	562.598	3.028	50	0		KGAARN
COc1cccc(OC)c1C(=O)N1CCC2(CC1)OC[C@H](C(=O)NCc1cccnc1)N2C(=O)c1ccc(F)cc1	ZINC000098014652	554091821	/nfs/dbraw/zinc/09/18/21/554091821.db2.gz	NUPJPSGOIJZJJD-HSZRJFAPSA-N	0	0	562.598	3.028	50	0		KGAARN
COc1ccc(C(=O)N2[C@H](C(=O)NCc3ccco3)COC23CCN(C(=O)c2ccc(OC)cc2)CC3)cc1	ZINC000098014681	554092145	/nfs/dbraw/zinc/09/21/45/554092145.db2.gz	PSRFZKGMTYMAGL-VWLOTQADSA-N	0	0	533.581	3.087	50	0		KGAARN
COc1ccc(C(=O)N2[C@@H](C(=O)NCc3ccco3)COC23CCN(C(=O)c2ccc(OC)cc2)CC3)cc1	ZINC000098014682	554092058	/nfs/dbraw/zinc/09/20/58/554092058.db2.gz	PSRFZKGMTYMAGL-RUZDIDTESA-N	0	0	533.581	3.087	50	0		KGAARN
COc1ccc(C(=O)N2[C@H](C(=O)NCc3ccccc3)COC23CCN(C(=O)c2ccc(OC)cc2)CC3)cc1	ZINC000098014683	554092133	/nfs/dbraw/zinc/09/21/33/554092133.db2.gz	NNGZNHQRIMNVIC-MHZLTWQESA-N	0	0	543.620	3.494	50	0		KGAARN
COc1ccc(C(=O)N2[C@@H](C(=O)NCc3ccccc3)COC23CCN(C(=O)c2ccc(OC)cc2)CC3)cc1	ZINC000098014684	554092129	/nfs/dbraw/zinc/09/21/29/554092129.db2.gz	NNGZNHQRIMNVIC-HHHXNRCGSA-N	0	0	543.620	3.494	50	0		KGAARN
COc1ccc(C(=O)N2[C@H](C(=O)NCc3ccc4c(c3)OCO4)COC23CCN(C(=O)c2ccc(OC)cc2)CC3)cc1	ZINC000098014691	554092054	/nfs/dbraw/zinc/09/20/54/554092054.db2.gz	UDYFKVGPXDKWJF-SANMLTNESA-N	0	0	587.629	3.222	50	0		KGAARN
COc1ccc(C(=O)N2[C@@H](C(=O)NCc3ccc4c(c3)OCO4)COC23CCN(C(=O)c2ccc(OC)cc2)CC3)cc1	ZINC000098014692	554092070	/nfs/dbraw/zinc/09/20/70/554092070.db2.gz	UDYFKVGPXDKWJF-AREMUKBSSA-N	0	0	587.629	3.222	50	0		KGAARN
COc1ccc(C(=O)N2[C@H](C(=O)NCc3cccnc3)COC23CCN(C(=O)c2cccc(F)c2)CC3)cc1	ZINC000098014711	554092113	/nfs/dbraw/zinc/09/21/13/554092113.db2.gz	BULLDZFHMBZXRP-VWLOTQADSA-N	0	0	532.572	3.019	50	0		KGAARN
COc1ccc(C(=O)N2[C@@H](C(=O)NCc3cccnc3)COC23CCN(C(=O)c2cccc(F)c2)CC3)cc1	ZINC000098014712	554092062	/nfs/dbraw/zinc/09/20/62/554092062.db2.gz	BULLDZFHMBZXRP-RUZDIDTESA-N	0	0	532.572	3.019	50	0		KGAARN
COc1ccc(C(=O)N2[C@H](C(=O)NCc3ccccc3)COC23CCN(C(=O)c2ccc4c(c2)OCO4)CC3)cc1	ZINC000098014723	554092452	/nfs/dbraw/zinc/09/24/52/554092452.db2.gz	DRYRSTVQOBDBJZ-VWLOTQADSA-N	0	0	557.603	3.214	50	0		KGAARN
COc1ccc(C(=O)N2[C@@H](C(=O)NCc3ccccc3)COC23CCN(C(=O)c2ccc4c(c2)OCO4)CC3)cc1	ZINC000098014724	554092527	/nfs/dbraw/zinc/09/25/27/554092527.db2.gz	DRYRSTVQOBDBJZ-RUZDIDTESA-N	0	0	557.603	3.214	50	0		KGAARN
CCc1ccc(C(=O)N2CCC3(CC2)OC[C@@H](C(=O)NCc2ccccn2)N3C(=O)c2ccc(OC)cc2)cc1	ZINC000098014763	554092716	/nfs/dbraw/zinc/09/27/16/554092716.db2.gz	SEVOKULYVHOHSV-MHZLTWQESA-N	0	0	542.636	3.443	50	0		KGAARN
CCc1ccc(C(=O)N2CCC3(CC2)OC[C@H](C(=O)NCc2ccccn2)N3C(=O)c2ccc(OC)cc2)cc1	ZINC000098014764	554092758	/nfs/dbraw/zinc/09/27/58/554092758.db2.gz	SEVOKULYVHOHSV-HHHXNRCGSA-N	0	0	542.636	3.443	50	0		KGAARN
O=C(NCc1ccc2c(c1)OCO2)[C@@H]1COC2(CCN(C(=O)c3ccccc3F)CC2)N1C(=O)c1ccccc1	ZINC000098014765	554092733	/nfs/dbraw/zinc/09/27/33/554092733.db2.gz	NBXSJXNJZVSFEO-DEOSSOPVSA-N	0	0	545.567	3.344	50	0		KGAARN
O=C(NCc1ccc2c(c1)OCO2)[C@H]1COC2(CCN(C(=O)c3ccccc3F)CC2)N1C(=O)c1ccccc1	ZINC000098014766	554092753	/nfs/dbraw/zinc/09/27/53/554092753.db2.gz	NBXSJXNJZVSFEO-XMMPIXPASA-N	0	0	545.567	3.344	50	0		KGAARN
O=C(NCc1ccc2c(c1)OCO2)[C@@H]1COC2(CCN(C(=O)c3cccc(F)c3)CC2)N1C(=O)c1ccccc1	ZINC000098014767	554092737	/nfs/dbraw/zinc/09/27/37/554092737.db2.gz	IIONXJUOIFUMLC-DEOSSOPVSA-N	0	0	545.567	3.344	50	0		KGAARN
O=C(NCc1ccc2c(c1)OCO2)[C@H]1COC2(CCN(C(=O)c3cccc(F)c3)CC2)N1C(=O)c1ccccc1	ZINC000098014768	554092756	/nfs/dbraw/zinc/09/27/56/554092756.db2.gz	IIONXJUOIFUMLC-XMMPIXPASA-N	0	0	545.567	3.344	50	0		KGAARN
COc1cccc(C(=O)N2CCC3(CC2)OC[C@@H](C(=O)NCc2ccc4c(c2)OCO4)N3C(=O)c2ccccc2)c1	ZINC000098014775	554092765	/nfs/dbraw/zinc/09/27/65/554092765.db2.gz	AUKJIMXWJPWENV-VWLOTQADSA-N	0	0	557.603	3.214	50	0		KGAARN
COc1cccc(C(=O)N2CCC3(CC2)OC[C@H](C(=O)NCc2ccc4c(c2)OCO4)N3C(=O)c2ccccc2)c1	ZINC000098014776	554092755	/nfs/dbraw/zinc/09/27/55/554092755.db2.gz	AUKJIMXWJPWENV-RUZDIDTESA-N	0	0	557.603	3.214	50	0		KGAARN
COc1ccc(C(=O)N2CCC3(CC2)OC[C@@H](C(=O)NCc2ccco2)N3C(=O)c2ccccc2)cc1OC	ZINC000098014781	554092729	/nfs/dbraw/zinc/09/27/29/554092729.db2.gz	ATKIYUASGSNVAW-QHCPKHFHSA-N	0	0	533.581	3.087	50	0		KGAARN
COc1ccc(C(=O)N2CCC3(CC2)OC[C@H](C(=O)NCc2ccco2)N3C(=O)c2ccccc2)cc1OC	ZINC000098014782	554092744	/nfs/dbraw/zinc/09/27/44/554092744.db2.gz	ATKIYUASGSNVAW-HSZRJFAPSA-N	0	0	533.581	3.087	50	0		KGAARN
Cc1cccc(C(=O)N2[C@H](C(=O)NCc3ccccn3)COC23CCN(C(=O)c2ccc(F)cc2F)CC3)c1	ZINC000098014819	554093074	/nfs/dbraw/zinc/09/30/74/554093074.db2.gz	KWVLWRPHEIMJKO-VWLOTQADSA-N	0	0	534.563	3.458	50	0		KGAARN
Cc1cccc(C(=O)N2[C@@H](C(=O)NCc3ccccn3)COC23CCN(C(=O)c2ccc(F)cc2F)CC3)c1	ZINC000098014820	554093045	/nfs/dbraw/zinc/09/30/45/554093045.db2.gz	KWVLWRPHEIMJKO-RUZDIDTESA-N	0	0	534.563	3.458	50	0		KGAARN
Cc1cccc(C(=O)N2[C@H](C(=O)NCc3cccnc3)COC23CCN(C(=O)c2ccc(F)cc2F)CC3)c1	ZINC000098014821	554093055	/nfs/dbraw/zinc/09/30/55/554093055.db2.gz	AYSYLQYPDPJWBK-VWLOTQADSA-N	0	0	534.563	3.458	50	0		KGAARN
Cc1cccc(C(=O)N2[C@@H](C(=O)NCc3cccnc3)COC23CCN(C(=O)c2ccc(F)cc2F)CC3)c1	ZINC000098014822	554093065	/nfs/dbraw/zinc/09/30/65/554093065.db2.gz	AYSYLQYPDPJWBK-RUZDIDTESA-N	0	0	534.563	3.458	50	0		KGAARN
COc1ccc(C(=O)N2[C@H](C(=O)NCc3ccccc3)COC23CCN(C(=O)Cc2cccs2)CC3)cc1	ZINC000098014847	554093240	/nfs/dbraw/zinc/09/32/40/554093240.db2.gz	MJNYNISQNOAEDM-VWLOTQADSA-N	0	0	533.650	3.476	50	0		KGAARN
COc1ccc(C(=O)N2[C@@H](C(=O)NCc3ccccc3)COC23CCN(C(=O)Cc2cccs2)CC3)cc1	ZINC000098014848	554093266	/nfs/dbraw/zinc/09/32/66/554093266.db2.gz	MJNYNISQNOAEDM-RUZDIDTESA-N	0	0	533.650	3.476	50	0		KGAARN
Cc1ccc(C(=O)N2[C@H](C(=O)NCc3ccco3)COC23CCN(C(=O)c2ccc4c(c2)OCO4)CC3)cc1	ZINC000098014895	554093891	/nfs/dbraw/zinc/09/38/91/554093891.db2.gz	WTMGWGKDLDFNKK-QHCPKHFHSA-N	0	0	531.565	3.107	50	0		KGAARN
Cc1ccc(C(=O)N2[C@@H](C(=O)NCc3ccco3)COC23CCN(C(=O)c2ccc4c(c2)OCO4)CC3)cc1	ZINC000098014896	554093882	/nfs/dbraw/zinc/09/38/82/554093882.db2.gz	WTMGWGKDLDFNKK-HSZRJFAPSA-N	0	0	531.565	3.107	50	0		KGAARN
COc1ccc(C(=O)N2CCC3(CC2)OC[C@@H](C(=O)NCc2ccccn2)N3C(=O)c2ccccc2C)cc1OC	ZINC000098014915	554093827	/nfs/dbraw/zinc/09/38/27/554093827.db2.gz	NCZILBWEEUVBLV-VWLOTQADSA-N	0	0	558.635	3.197	50	0		KGAARN
COc1ccc(C(=O)N2CCC3(CC2)OC[C@H](C(=O)NCc2ccccn2)N3C(=O)c2ccccc2C)cc1OC	ZINC000098014916	554093886	/nfs/dbraw/zinc/09/38/86/554093886.db2.gz	NCZILBWEEUVBLV-RUZDIDTESA-N	0	0	558.635	3.197	50	0		KGAARN
O=C(NC[C@@H]1CCCO1)[C@@H]1COC2(CCN(C(=O)c3ccccc3Cl)CC2)N1C(=O)c1cccc(F)c1	ZINC000098014932	554094149	/nfs/dbraw/zinc/09/41/49/554094149.db2.gz	WRGRTFNKFVKXEE-REWPJTCUSA-N	0	0	529.996	3.248	50	0		KGAARN
O=C(NC[C@@H]1CCCO1)[C@H]1COC2(CCN(C(=O)c3ccccc3Cl)CC2)N1C(=O)c1cccc(F)c1	ZINC000098014933	554094172	/nfs/dbraw/zinc/09/41/72/554094172.db2.gz	WRGRTFNKFVKXEE-NZQKXSOJSA-N	0	0	529.996	3.248	50	0		KGAARN
O=C(NC[C@H]1CCCO1)[C@@H]1COC2(CCN(C(=O)c3ccccc3Cl)CC2)N1C(=O)c1cccc(F)c1	ZINC000098014934	554094155	/nfs/dbraw/zinc/09/41/55/554094155.db2.gz	WRGRTFNKFVKXEE-OFNKIYASSA-N	0	0	529.996	3.248	50	0		KGAARN
O=C(NC[C@H]1CCCO1)[C@H]1COC2(CCN(C(=O)c3ccccc3Cl)CC2)N1C(=O)c1cccc(F)c1	ZINC000098014935	554094191	/nfs/dbraw/zinc/09/41/91/554094191.db2.gz	WRGRTFNKFVKXEE-NFBKMPQASA-N	0	0	529.996	3.248	50	0		KGAARN
O=C(NC[C@@H]1CCCO1)[C@@H]1COC2(CCN(C(=O)c3ccc(Cl)cc3)CC2)N1C(=O)c1cccc(F)c1	ZINC000098014938	554094132	/nfs/dbraw/zinc/09/41/32/554094132.db2.gz	QMXWWOZBKQPKMW-GOTSBHOMSA-N	0	0	529.996	3.248	50	0		KGAARN
O=C(NC[C@@H]1CCCO1)[C@H]1COC2(CCN(C(=O)c3ccc(Cl)cc3)CC2)N1C(=O)c1cccc(F)c1	ZINC000098014939	554094128	/nfs/dbraw/zinc/09/41/28/554094128.db2.gz	QMXWWOZBKQPKMW-XZOQPEGZSA-N	0	0	529.996	3.248	50	0		KGAARN
O=C(NC[C@H]1CCCO1)[C@@H]1COC2(CCN(C(=O)c3ccc(Cl)cc3)CC2)N1C(=O)c1cccc(F)c1	ZINC000098014940	554094189	/nfs/dbraw/zinc/09/41/89/554094189.db2.gz	QMXWWOZBKQPKMW-PKTZIBPZSA-N	0	0	529.996	3.248	50	0		KGAARN
O=C(NC[C@H]1CCCO1)[C@H]1COC2(CCN(C(=O)c3ccc(Cl)cc3)CC2)N1C(=O)c1cccc(F)c1	ZINC000098014941	554094146	/nfs/dbraw/zinc/09/41/46/554094146.db2.gz	QMXWWOZBKQPKMW-DHIUTWEWSA-N	0	0	529.996	3.248	50	0		KGAARN
O=C(NC[C@@H]1CCCO1)[C@@H]1COC2(CCN(C(=O)c3cccc(Cl)c3)CC2)N1C(=O)c1cccc(F)c1	ZINC000098014948	554094184	/nfs/dbraw/zinc/09/41/84/554094184.db2.gz	OABCOONGQCPKEM-GOTSBHOMSA-N	0	0	529.996	3.248	50	0		KGAARN
O=C(NC[C@@H]1CCCO1)[C@H]1COC2(CCN(C(=O)c3cccc(Cl)c3)CC2)N1C(=O)c1cccc(F)c1	ZINC000098014949	554094126	/nfs/dbraw/zinc/09/41/26/554094126.db2.gz	OABCOONGQCPKEM-XZOQPEGZSA-N	0	0	529.996	3.248	50	0		KGAARN
O=C(NC[C@H]1CCCO1)[C@@H]1COC2(CCN(C(=O)c3cccc(Cl)c3)CC2)N1C(=O)c1cccc(F)c1	ZINC000098014950	554094178	/nfs/dbraw/zinc/09/41/78/554094178.db2.gz	OABCOONGQCPKEM-PKTZIBPZSA-N	0	0	529.996	3.248	50	0		KGAARN
O=C(NC[C@H]1CCCO1)[C@H]1COC2(CCN(C(=O)c3cccc(Cl)c3)CC2)N1C(=O)c1cccc(F)c1	ZINC000098014951	554094134	/nfs/dbraw/zinc/09/41/34/554094134.db2.gz	OABCOONGQCPKEM-DHIUTWEWSA-N	0	0	529.996	3.248	50	0		KGAARN
COc1cccc(C(=O)N2[C@H](C(=O)NCc3ccccn3)COC23CCN(C(=O)c2ccccc2F)CC3)c1	ZINC000098014958	554094121	/nfs/dbraw/zinc/09/41/21/554094121.db2.gz	MQIZEORVYVDJLV-VWLOTQADSA-N	0	0	532.572	3.019	50	0		KGAARN
COc1cccc(C(=O)N2[C@@H](C(=O)NCc3ccccn3)COC23CCN(C(=O)c2ccccc2F)CC3)c1	ZINC000098014959	554094200	/nfs/dbraw/zinc/09/42/00/554094200.db2.gz	MQIZEORVYVDJLV-RUZDIDTESA-N	0	0	532.572	3.019	50	0		KGAARN
COc1cccc(C(=O)N2[C@H](C(=O)NC[C@@H]3CCCO3)COC23CCN(C(=O)c2ccc(Cl)cc2)CC3)c1	ZINC000098014968	554094542	/nfs/dbraw/zinc/09/45/42/554094542.db2.gz	PLZABUXOIJJMLL-ZEQRLZLVSA-N	0	0	542.032	3.117	50	0		KGAARN
COc1cccc(C(=O)N2[C@@H](C(=O)NC[C@@H]3CCCO3)COC23CCN(C(=O)c2ccc(Cl)cc2)CC3)c1	ZINC000098014969	554094526	/nfs/dbraw/zinc/09/45/26/554094526.db2.gz	PLZABUXOIJJMLL-BJKOFHAPSA-N	0	0	542.032	3.117	50	0		KGAARN
COc1cccc(C(=O)N2[C@H](C(=O)NC[C@H]3CCCO3)COC23CCN(C(=O)c2ccc(Cl)cc2)CC3)c1	ZINC000098014970	554094564	/nfs/dbraw/zinc/09/45/64/554094564.db2.gz	PLZABUXOIJJMLL-RPWUZVMVSA-N	0	0	542.032	3.117	50	0		KGAARN
COc1cccc(C(=O)N2[C@@H](C(=O)NC[C@H]3CCCO3)COC23CCN(C(=O)c2ccc(Cl)cc2)CC3)c1	ZINC000098014971	554094517	/nfs/dbraw/zinc/09/45/17/554094517.db2.gz	PLZABUXOIJJMLL-DNQXCXABSA-N	0	0	542.032	3.117	50	0		KGAARN
COc1cccc(C(=O)N2[C@H](C(=O)N3CCN(C)CC3)COC23CCN(C(=O)c2ccc(Cl)c(Cl)c2)CC3)c1	ZINC000098014988	554094545	/nfs/dbraw/zinc/09/45/45/554094545.db2.gz	WWIURUWBJYNDMK-DEOSSOPVSA-N	0	0	575.493	3.250	50	0		KGAARN
COc1cccc(C(=O)N2[C@@H](C(=O)N3CCN(C)CC3)COC23CCN(C(=O)c2ccc(Cl)c(Cl)c2)CC3)c1	ZINC000098014989	554094507	/nfs/dbraw/zinc/09/45/07/554094507.db2.gz	WWIURUWBJYNDMK-XMMPIXPASA-N	0	0	575.493	3.250	50	0		KGAARN
CCOC(=O)C1CCN(C(=O)c2ccc(CSc3nc(CC)cc(N4CCN(C(C)=O)CC4)n3)cc2)CC1	ZINC000098015006	554094818	/nfs/dbraw/zinc/09/48/18/554094818.db2.gz	DNFVGFUQSRNGFY-UHFFFAOYSA-N	0	0	539.702	3.415	50	0		KGAARN
CCOC(=O)[C@H]1CCCN(C(=O)c2ccc(CSc3nc(CC)cc(N4CCN(C(C)=O)CC4)n3)cc2)C1	ZINC000098015007	554094749	/nfs/dbraw/zinc/09/47/49/554094749.db2.gz	KVCFMPZHKBWWDQ-QHCPKHFHSA-N	0	0	539.702	3.415	50	0		KGAARN
CCOC(=O)[C@@H]1CCCN(C(=O)c2ccc(CSc3nc(CC)cc(N4CCN(C(C)=O)CC4)n3)cc2)C1	ZINC000098015008	554094892	/nfs/dbraw/zinc/09/48/92/554094892.db2.gz	KVCFMPZHKBWWDQ-HSZRJFAPSA-N	0	0	539.702	3.415	50	0		KGAARN
CC(=O)N1CCN(c2cc(-c3ccccc3)nc(SCc3cccc(C(=O)NCCN4CCOCC4)c3)n2)CC1	ZINC000098015098	554095782	/nfs/dbraw/zinc/09/57/82/554095782.db2.gz	FIQDRHVXVIANDW-UHFFFAOYSA-N	0	0	560.724	3.166	50	0		KGAARN
COCc1cc(N2CCN(c3ccccc3F)CC2)nc(SCc2ccc(C(=O)N3CCN(C)CC3)o2)n1	ZINC000098015162	554096514	/nfs/dbraw/zinc/09/65/14/554096514.db2.gz	WBVPOINZBXRADA-UHFFFAOYSA-N	0	0	540.665	3.362	50	0		KGAARN
COCc1cc(N(C)CCc2ccc(OC)c(OC)c2)nc(SCc2ccc(C(=O)NCCN3CCOCC3)o2)n1	ZINC000098015168	554096509	/nfs/dbraw/zinc/09/65/09/554096509.db2.gz	OHQRXRFXAZOLNU-UHFFFAOYSA-N	0	0	585.727	3.266	50	0		KGAARN
COCc1cc(N2CCN(Cc3ccc4c(c3)OCO4)CC2)nc(SCc2ccc(C(=O)NC3CC3)o2)n1	ZINC000098015180	554096465	/nfs/dbraw/zinc/09/64/65/554096465.db2.gz	NTOHEYVOCGEIKL-UHFFFAOYSA-N	0	0	537.642	3.451	50	0		KGAARN
COCc1cc(N2CCN(Cc3ccc4c(c3)OCO4)CC2)nc(SCc2ccc(C(=O)NC[C@@H]3CCCO3)o2)n1	ZINC000098015182	554096498	/nfs/dbraw/zinc/09/64/98/554096498.db2.gz	SKGFBIFVGVHZLH-QFIPXVFZSA-N	0	0	581.695	3.468	50	0		KGAARN
COCc1cc(N2CCN(Cc3ccc4c(c3)OCO4)CC2)nc(SCc2ccc(C(=O)NC[C@H]3CCCO3)o2)n1	ZINC000098015183	554096524	/nfs/dbraw/zinc/09/65/24/554096524.db2.gz	SKGFBIFVGVHZLH-JOCHJYFZSA-N	0	0	581.695	3.468	50	0		KGAARN
COc1ccc(C(=O)N2CCC3(CC2)C(=O)N(CC(=O)NCCc2ccc(OC)c(OC)c2)CN3c2ccccc2)c(OC)c1	ZINC000098017485	554108410	/nfs/dbraw/zinc/10/84/10/554108410.db2.gz	DSJYJVNCTWRDJH-UHFFFAOYSA-N	0	0	616.715	3.361	50	0		KGAARN
Cc1ccc(S(=O)(=O)N2CCC3(CC2)C(=O)N(CC(=O)NCc2ccccc2)CN3c2ccccc2)cc1	ZINC000098017494	554108490	/nfs/dbraw/zinc/10/84/90/554108490.db2.gz	BEOIFHMJHQNNKT-UHFFFAOYSA-N	0	0	532.666	3.141	50	0		KGAARN
CN(C)C(=O)N1CCC2(CC1)C(=O)N(CC(=O)NCCc1ccc(Cl)cc1Cl)CN2c1ccccc1	ZINC000098017503	554108432	/nfs/dbraw/zinc/10/84/32/554108432.db2.gz	LYUSLHWBWYIRRA-UHFFFAOYSA-N	0	0	532.472	3.475	50	0		KGAARN
CC(C)CNC(=O)CN1CN(c2ccccc2)C2(CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)C1=O	ZINC000098017520	554108741	/nfs/dbraw/zinc/10/87/41/554108741.db2.gz	VHPPKWFTEOFFRF-UHFFFAOYSA-N	0	0	534.682	3.442	50	0		KGAARN
O=C(CN1CN(c2ccccc2)C2(CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)C1=O)N1CCCCC1	ZINC000098017868	554110838	/nfs/dbraw/zinc/11/08/38/554110838.db2.gz	GZVFMEWEPVAXDG-UHFFFAOYSA-N	0	0	575.529	3.291	50	0		KGAARN
CC(=O)Nc1ccc(S(=O)(=O)N(CCCN2CCOCC2)CC(=O)N(Cc2ccco2)Cc2ccccc2)cc1	ZINC000098017917	554111146	/nfs/dbraw/zinc/11/11/46/554111146.db2.gz	YUQBZXZCTKTSCR-UHFFFAOYSA-N	0	0	568.696	3.180	50	0		KGAARN
Cc1ccc(CN(CCc2ccccc2)C(=O)CN(CCN2CCOCC2)S(=O)(=O)c2ccc(C)cc2)o1	ZINC000098019607	554113563	/nfs/dbraw/zinc/11/35/63/554113563.db2.gz	RFFBAKLSJDCUQS-UHFFFAOYSA-N	0	0	539.698	3.491	50	0		KGAARN
COc1ccc(CCN(Cc2ccc(C)o2)C(=O)CN(CCN2CCOCC2)C(=O)NC(C)(C)C)cc1OC	ZINC000098019683	554113943	/nfs/dbraw/zinc/11/39/43/554113943.db2.gz	MXBADFGKKNVTPM-UHFFFAOYSA-N	0	0	544.693	3.319	50	0		KGAARN
COc1ccc(OC)c(N(CC(=O)N2CCN(C(=O)CN(c3cc(OC)ccc3OC)S(=O)(=O)c3ccccc3)CC2)S(=O)(=O)c2ccccc2)c1	ZINC000098023316	554120825	/nfs/dbraw/zinc/12/08/25/554120825.db2.gz	AOXZBPPEGAYXDN-UHFFFAOYSA-N	0	0	752.868	3.483	50	0		KGAARN
COC(=O)c1ccccc1NC(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccc(OC)c(OC)c1	ZINC000098023346	554121141	/nfs/dbraw/zinc/12/11/41/554121141.db2.gz	TWBOUGOJSXGDBN-UHFFFAOYSA-N	0	0	544.582	3.342	50	0		KGAARN
O=C(CSc1cn[nH]n1)Nc1ccc2nc(-c3ccc(NC(=O)CSc4cn[nH]n4)cc3O)sc2c1	ZINC000098042673	554121385	/nfs/dbraw/zinc/12/13/85/554121385.db2.gz	YDRXPSSARJFIJK-UHFFFAOYSA-N	0	0	539.628	3.367	50	0		KGAARN
Cc1c2c(cc(=O)n1N1CCOCC1)[C@H](C(=O)Nc1ccc(Br)cc1)NN(c1nc3ccccc3s1)C2=O	ZINC000098042795	554122372	/nfs/dbraw/zinc/12/23/72/554122372.db2.gz	CEEGXPURRABQOB-HSZRJFAPSA-N	0	0	595.479	3.342	50	0		KGAARN
Cc1c2c(cc(=O)n1N1CCOCC1)[C@@H](C(=O)Nc1ccc(Br)cc1)NN(c1nc3ccccc3s1)C2=O	ZINC000098042796	554122341	/nfs/dbraw/zinc/12/23/41/554122341.db2.gz	CEEGXPURRABQOB-QHCPKHFHSA-N	0	0	595.479	3.342	50	0		KGAARN
Cc1c2c(cc(=O)n1CCCN1CCOCC1)n(CC(=O)Nc1ccc(F)cc1)n(-c1nc3ccccc3s1)c2=O	ZINC000098042806	554122419	/nfs/dbraw/zinc/12/24/19/554122419.db2.gz	XNKBHHQORWMDKA-UHFFFAOYSA-N	0	0	576.654	3.372	50	0		KGAARN
Cc1cc(C)cc(NC(=O)Cn2c3cc(=O)n(N4CCOCC4)c(C)c3c(=O)n2-c2nc3ccccc3s2)c1	ZINC000098042807	554122381	/nfs/dbraw/zinc/12/23/81/554122381.db2.gz	KYZJNPBWJDMFOV-UHFFFAOYSA-N	0	0	544.637	3.096	50	0		KGAARN
COc1cc2ccnc(Cc3cc(OC)c(OC)cc3NS(=O)(=O)c3ccc4c(c3)c(=O)n(C)c(=O)n4C)c2cc1OC	ZINC000098043290	554126479	/nfs/dbraw/zinc/12/64/79/554126479.db2.gz	YWIVAGQIHCYHQM-UHFFFAOYSA-N	0	0	606.657	3.211	50	0		KGAARN
COc1ccccc1N1C(=O)[C@H]2[C@H](C1=O)N1[C@@H](c3ccco3)[C@@H]3C(=O)N(c4ccccc4OC)C(=O)[C@H]3N1[C@H]2c1ccco1	ZINC000098043761	554128626	/nfs/dbraw/zinc/12/86/26/554128626.db2.gz	PYQSMNSSVLWBTE-ZXOGEQNHSA-N	0	0	594.580	3.335	50	0		KGAARN
COc1ccccc1N1C(=O)[C@@H]2[C@H](c3ccco3)N3[C@@H]4C(=O)N(c5ccccc5OC)C(=O)[C@H]4[C@@H](c4ccco4)N3[C@H]2C1=O	ZINC000098043762	554128633	/nfs/dbraw/zinc/12/86/33/554128633.db2.gz	PYQSMNSSVLWBTE-BYECRERDSA-N	0	0	594.580	3.335	50	0		KGAARN
COc1cc(CN2CCC(C(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)CC2)cc(Br)c1O	ZINC000098045247	554131329	/nfs/dbraw/zinc/13/13/29/554131329.db2.gz	YSLDXXPYHUAAGK-UHFFFAOYSA-N	0	0	546.462	3.448	50	0		KGAARN
CCOCCCNC(=O)[C@@H](c1ccc(OC)cc1)N(Cc1ccc2c(c1)OCO2)C(=O)CNC(=O)c1ccccc1	ZINC000098045537	554132148	/nfs/dbraw/zinc/13/21/48/554132148.db2.gz	QLPJSQPAOVJEGM-GDLZYMKVSA-N	0	0	561.635	3.467	50	0		KGAARN
CCOCCCNC(=O)[C@H](c1ccc(OC)cc1)N(Cc1ccc2c(c1)OCO2)C(=O)CNC(=O)c1ccccc1	ZINC000098045538	554132137	/nfs/dbraw/zinc/13/21/37/554132137.db2.gz	QLPJSQPAOVJEGM-LJAQVGFWSA-N	0	0	561.635	3.467	50	0		KGAARN
CN1C(=O)N(C)[C@@]2(c3ccccc3)Nn3c(=O)/c(=C\c4ccccc4Br)sc3=N[C@]12c1ccccc1	ZINC000098045770	554133778	/nfs/dbraw/zinc/13/37/78/554133778.db2.gz	UJXGQTSCGXDWSB-UBNMZGFOSA-N	0	0	560.477	3.381	50	0		KGAARN
CN1C(=O)N(C)[C@@]2(c3ccccc3)N=c3s/c(=C/c4ccccc4Br)c(=O)n3N[C@@]12c1ccccc1	ZINC000098045771	554133875	/nfs/dbraw/zinc/13/38/75/554133875.db2.gz	UJXGQTSCGXDWSB-KQAMPPAFSA-N	0	0	560.477	3.381	50	0		KGAARN
CN1C(=O)N(C)[C@]2(c3ccccc3)Nn3c(=O)/c(=C\c4ccccc4Br)sc3=N[C@@]12c1ccccc1	ZINC000098045772	554133824	/nfs/dbraw/zinc/13/38/24/554133824.db2.gz	UJXGQTSCGXDWSB-XPKIUNLXSA-N	0	0	560.477	3.381	50	0		KGAARN
Cc1cc2c(nc(C)n(NC(=O)CSc3nnc(-c4cc(C5CC5)nc5c4c(C)nn5C)n3C)c2=O)s1	ZINC000098046157	554136166	/nfs/dbraw/zinc/13/61/66/554136166.db2.gz	QPZVYTUTWBKQOR-UHFFFAOYSA-N	0	0	535.659	3.200	50	0		KGAARN
CCCN1c2ccc(Br)cc2/C(=c2/sc3nc(-c4ccc(OC)c(OC)c4)nn3c2=O)C1=O	ZINC000098046601	554141261	/nfs/dbraw/zinc/14/12/61/554141261.db2.gz	RSPSXMQRYGVMKS-HNENSFHCSA-N	0	0	527.400	3.272	50	0		KGAARN
COc1cc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2[C@@H]2CCS(=O)(=O)C2)cc(Br)c1O	ZINC000098046988	554145805	/nfs/dbraw/zinc/14/58/05/554145805.db2.gz	HPYNXYXXDUMFBM-KZULUSFZSA-N	0	0	520.357	3.002	50	0		KGAARN
COc1cc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2[C@@H]2CCS(=O)(=O)C2)cc(Br)c1O	ZINC000098046989	554145783	/nfs/dbraw/zinc/14/57/83/554145783.db2.gz	HPYNXYXXDUMFBM-XIKOKIGWSA-N	0	0	520.357	3.002	50	0		KGAARN
COc1cc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2[C@H]2CCS(=O)(=O)C2)cc(Br)c1O	ZINC000098046990	554145809	/nfs/dbraw/zinc/14/58/09/554145809.db2.gz	HPYNXYXXDUMFBM-KPZWWZAWSA-N	0	0	520.357	3.002	50	0		KGAARN
COc1cc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2[C@H]2CCS(=O)(=O)C2)cc(Br)c1O	ZINC000098046991	554145790	/nfs/dbraw/zinc/14/57/90/554145790.db2.gz	HPYNXYXXDUMFBM-SGTLLEGYSA-N	0	0	520.357	3.002	50	0		KGAARN
CCOC(=O)COc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2cccs2)C(C(=O)OCC)=C(C)N=3)cc1OCC	ZINC000098048233	554160765	/nfs/dbraw/zinc/16/07/65/554160765.db2.gz	CRYRBCPSEQTPOI-WNOSOOIWSA-N	0	0	556.662	3.200	50	0		KGAARN
CCOC(=O)COc1ccc(/C=c2\sc3n(c2=O)[C@H](c2cccs2)C(C(=O)OCC)=C(C)N=3)cc1OCC	ZINC000098048234	554160721	/nfs/dbraw/zinc/16/07/21/554160721.db2.gz	CRYRBCPSEQTPOI-OBVMJLIASA-N	0	0	556.662	3.200	50	0		KGAARN
Cc1cccc(-n2c(CNC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)nnc2SCC(=O)Nc2nccs2)c1	ZINC000098049149	554163545	/nfs/dbraw/zinc/16/35/45/554163545.db2.gz	VNNMEIHGIULERW-UHFFFAOYSA-N	0	0	597.748	3.478	50	0		KGAARN
COc1ccc(OC)c(-n2c(CNC(=O)c3cc(OC)cc(OC)c3)nnc2SCC(=O)Nc2nccs2)c1	ZINC000098049154	554163486	/nfs/dbraw/zinc/16/34/86/554163486.db2.gz	SGENUBLWWSNYDU-UHFFFAOYSA-N	0	0	570.653	3.419	50	0		KGAARN
COc1ccc(OC)c(-n2c(CNC(=O)c3ccc(OC)c(OC)c3)nnc2SCC(=O)Nc2nccs2)c1	ZINC000098049182	554163765	/nfs/dbraw/zinc/16/37/65/554163765.db2.gz	RIKVTYKTZYLQHL-UHFFFAOYSA-N	0	0	570.653	3.419	50	0		KGAARN
COC(=O)c1ccc2c(c1)nc(SCC(=O)c1ccc(Br)cc1)n(CCN1CCOCC1)c2=O	ZINC000098049264	554164399	/nfs/dbraw/zinc/16/43/99/554164399.db2.gz	AOYVAAOGUJUEDZ-UHFFFAOYSA-N	0	0	546.443	3.253	50	0		KGAARN
COC(=O)c1ccc2c(c1)nc(SCC(=O)NCCc1ccc(OC)c(OC)c1)n(Cc1ccc3c(c1)OCO3)c2=O	ZINC000098049274	554164734	/nfs/dbraw/zinc/16/47/34/554164734.db2.gz	MAMOSVLJDPAQBT-UHFFFAOYSA-N	0	0	591.642	3.428	50	0		KGAARN
COc1ccc(CCNC(=O)CSc2nc3ccccc3c(=O)n2NC(=O)Cc2ccccc2)cc1OC	ZINC000098049278	554164681	/nfs/dbraw/zinc/16/46/81/554164681.db2.gz	YPGACWQENHOGCN-UHFFFAOYSA-N	0	0	532.622	3.178	50	0		KGAARN
COc1ccccc1N1CCN(C(=O)CSc2nc3ccccc3c(=O)n2NC(=O)Cc2ccccc2)CC1	ZINC000098049288	554164709	/nfs/dbraw/zinc/16/47/09/554164709.db2.gz	JBXRUJITMOSXJR-UHFFFAOYSA-N	0	0	543.649	3.159	50	0		KGAARN
COC(=O)c1ccc2c(c1)nc(SCC(=O)N1CCN(c3ccccc3OC)CC1)n(Cc1ccco1)c2=O	ZINC000098049311	554164925	/nfs/dbraw/zinc/16/49/25/554164925.db2.gz	JPLRQKZABZRPRW-UHFFFAOYSA-N	0	0	548.621	3.274	50	0		KGAARN
COC(=O)c1ccc2c(c1)nc(SCC(=O)Nc1cccc(C(F)(F)F)c1)n(CCN1CCOCC1)c2=O	ZINC000098049341	554165168	/nfs/dbraw/zinc/16/51/68/554165168.db2.gz	GANZXAYMHJZHOF-UHFFFAOYSA-N	0	0	550.559	3.265	50	0		KGAARN
CCCCNC(=O)[C@@H](CC)Sc1nc2cc(C(=O)NCCOC)ccc2c(=O)n1Cc1ccc2c(c1)OCO2	ZINC000098049350	554165214	/nfs/dbraw/zinc/16/52/14/554165214.db2.gz	HABPCXDICGLYID-XMMPIXPASA-N	0	0	554.669	3.337	50	0		KGAARN
CCCCNC(=O)[C@H](CC)Sc1nc2cc(C(=O)NCCOC)ccc2c(=O)n1Cc1ccc2c(c1)OCO2	ZINC000098049351	554165119	/nfs/dbraw/zinc/16/51/19/554165119.db2.gz	HABPCXDICGLYID-DEOSSOPVSA-N	0	0	554.669	3.337	50	0		KGAARN
COc1ccc(CCNC(=O)CCn2c(=O)c3ccccc3nc2SCC(=O)NC2CCCC2)cc1OC	ZINC000098049355	554165123	/nfs/dbraw/zinc/16/51/23/554165123.db2.gz	MFOLFPPYUKHGLO-UHFFFAOYSA-N	0	0	538.670	3.314	50	0		KGAARN
CCOC(=O)c1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2CCCC(=O)NC[C@@H]2CCCO2)cc1	ZINC000098049371	554165419	/nfs/dbraw/zinc/16/54/19/554165419.db2.gz	FITZJTHQGXBPJM-NRFANRHFSA-N	0	0	552.653	3.379	50	0		KGAARN
CCOC(=O)c1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2CCCC(=O)NC[C@H]2CCCO2)cc1	ZINC000098049372	554165435	/nfs/dbraw/zinc/16/54/35/554165435.db2.gz	FITZJTHQGXBPJM-OAQYLSRUSA-N	0	0	552.653	3.379	50	0		KGAARN
O=C(CCCn1c(=O)c2ccccc2nc1SCC(=O)NCCC1=CCCCC1)NCCCN1CCOCC1	ZINC000098049390	554165712	/nfs/dbraw/zinc/16/57/12/554165712.db2.gz	FBFAZXCSPWGSCU-UHFFFAOYSA-N	0	0	555.745	3.114	50	0		KGAARN
O=C(CSc1nc2cc(C(=O)NCCCN3CCOCC3)ccc2c(=O)n1C[C@@H]1CCCO1)c1ccccc1	ZINC000098049422	554165939	/nfs/dbraw/zinc/16/59/39/554165939.db2.gz	SVVXEZLOVBRBOU-QHCPKHFHSA-N	0	0	550.681	3.003	50	0		KGAARN
O=C(CSc1nc2cc(C(=O)NCCCN3CCOCC3)ccc2c(=O)n1C[C@H]1CCCO1)c1ccccc1	ZINC000098049423	554165981	/nfs/dbraw/zinc/16/59/81/554165981.db2.gz	SVVXEZLOVBRBOU-HSZRJFAPSA-N	0	0	550.681	3.003	50	0		KGAARN
COc1ccc(CCNC(=O)CCn2c(=O)c3ccccc3nc2SCC(=O)NCc2ccco2)cc1OC	ZINC000098049425	554165969	/nfs/dbraw/zinc/16/59/69/554165969.db2.gz	HVPUMYDINXKQQQ-UHFFFAOYSA-N	0	0	550.637	3.164	50	0		KGAARN
CCOC(=O)c1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2CCCC(=O)NCCCN2CCCC2=O)cc1	ZINC000098049432	554165956	/nfs/dbraw/zinc/16/59/56/554165956.db2.gz	PZKKPDXVGCPSMW-UHFFFAOYSA-N	0	0	593.706	3.213	50	0		KGAARN
O=C(CSc1nc2cc(C(=O)NC[C@@H]3CCCO3)ccc2c(=O)n1Cc1ccco1)N1CCN(c2ccccc2)CC1	ZINC000098049448	554166021	/nfs/dbraw/zinc/16/60/21/554166021.db2.gz	YKIVUGMWNOLXHC-DEOSSOPVSA-N	0	0	587.702	3.388	50	0		KGAARN
O=C(CSc1nc2cc(C(=O)NC[C@H]3CCCO3)ccc2c(=O)n1Cc1ccco1)N1CCN(c2ccccc2)CC1	ZINC000098049449	554165972	/nfs/dbraw/zinc/16/59/72/554165972.db2.gz	YKIVUGMWNOLXHC-XMMPIXPASA-N	0	0	587.702	3.388	50	0		KGAARN
COc1ccc(CCNC(=O)CCn2c(=O)c3ccccc3nc2SCC(=O)Nc2cc(C)on2)cc1OC	ZINC000098049454	554166401	/nfs/dbraw/zinc/16/64/01/554166401.db2.gz	ZPIVTTINXIKAQL-UHFFFAOYSA-N	0	0	551.625	3.190	50	0		KGAARN
COc1ccc(CCNC(=O)CCn2c(SCC(=O)NCCC(C)C)nc3ccccc3c2=O)cc1OC	ZINC000098049457	554166394	/nfs/dbraw/zinc/16/63/94/554166394.db2.gz	CXXLNLCKGFMGSC-UHFFFAOYSA-N	0	0	540.686	3.417	50	0		KGAARN
COc1ccc(C(=O)Nn2c(SCC(=O)NCCc3ccc(OC)c(OC)c3)nc3ccccc3c2=O)cc1	ZINC000098049467	554166460	/nfs/dbraw/zinc/16/64/60/554166460.db2.gz	PHLVXKOHQUYFHR-UHFFFAOYSA-N	0	0	548.621	3.257	50	0	biogenic	KGAARN
CCOC(=O)c1c2c(sc1NC(=O)CSc1nnc(CNC(=O)c3ccc(OC)c(OC)c3)n1C)CCC2	ZINC000098049504	554166608	/nfs/dbraw/zinc/16/66/08/554166608.db2.gz	WFBVYPVZNWBYPT-UHFFFAOYSA-N	0	0	559.670	3.220	50	0		KGAARN
CCOC(=O)c1sc(NC(=O)[C@@H](C)Sc2nnc(CNC(=O)COc3ccccc3)n2C)c(C(=O)OCC)c1C	ZINC000098049548	554167220	/nfs/dbraw/zinc/16/72/20/554167220.db2.gz	VRKOKCXQDZOHAZ-MRXNPFEDSA-N	0	0	589.696	3.353	50	0		KGAARN
CCOC(=O)c1sc(NC(=O)[C@H](C)Sc2nnc(CNC(=O)COc3ccccc3)n2C)c(C(=O)OCC)c1C	ZINC000098049549	554167214	/nfs/dbraw/zinc/16/72/14/554167214.db2.gz	VRKOKCXQDZOHAZ-INIZCTEOSA-N	0	0	589.696	3.353	50	0		KGAARN
CN(C)S(=O)(=O)c1ccc(C(=O)NCc2nnc(SCC(=O)Nc3nccs3)n2-c2cccc(Cl)c2)cc1	ZINC000098049558	554167225	/nfs/dbraw/zinc/16/72/25/554167225.db2.gz	QVGMKEVTQYFKLU-UHFFFAOYSA-N	0	0	592.128	3.288	50	0		KGAARN
CCOC(=O)c1sc(NC(=O)CSc2nnc(CNC(=O)c3ccccc3OC)n2C)c(C(=O)OCC)c1C	ZINC000098049562	554167179	/nfs/dbraw/zinc/16/71/79/554167179.db2.gz	NQIAAEFWWZXKBU-UHFFFAOYSA-N	0	0	575.669	3.208	50	0		KGAARN
CCOC(=O)c1sc(NC(=O)CSc2nnc(CNC(=O)c3ccc(OC)cc3)n2C)c(C(=O)OCC)c1C	ZINC000098049571	554167164	/nfs/dbraw/zinc/16/71/64/554167164.db2.gz	VPXUBZYOLMNPJE-UHFFFAOYSA-N	0	0	575.669	3.208	50	0		KGAARN
CCOC(=O)c1sc(NC(=O)CSc2nnc(CNC(=O)Cc3ccc(OC)cc3)n2C)c(C(=O)OCC)c1C	ZINC000098049574	554167462	/nfs/dbraw/zinc/16/74/62/554167462.db2.gz	DBGHZYMSTCFEER-UHFFFAOYSA-N	0	0	589.696	3.137	50	0		KGAARN
COc1cc(OC)cc(C(=O)Nc2cc(C(=O)N3CCN(C(C)=O)CC3)ccc2N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c1	ZINC000098049695	554168184	/nfs/dbraw/zinc/16/81/84/554168184.db2.gz	DFSYHPDPXDAMAO-RDGATRHJSA-N	0	0	599.688	3.046	50	0		KGAARN
CCOC(=O)N1CCC(NC(=O)CSc2nc3ccccc3n2S(=O)(=O)c2ccc(OC)cc2)CC1	ZINC000098049726	554168544	/nfs/dbraw/zinc/16/85/44/554168544.db2.gz	FEZWSYLWUUXKTP-UHFFFAOYSA-N	0	0	532.644	3.111	50	0		KGAARN
Cc1c(C(=O)NCc2ccc(Cl)cc2)sc2ncn(CC(=O)N3CCN(c4ccccn4)CC3)c(=O)c12	ZINC000098049777	554169006	/nfs/dbraw/zinc/16/90/06/554169006.db2.gz	DYWUUZAWMQWZRK-UHFFFAOYSA-N	0	0	537.045	3.094	50	0		KGAARN
O=C(NCCCN1CCOCC1)c1cc(S(=O)(=O)N2CCOCC2)ccc1Sc1ccc(Br)cc1	ZINC000098049787	554169070	/nfs/dbraw/zinc/16/90/70/554169070.db2.gz	PBXMOFZFZZIYNZ-UHFFFAOYSA-N	0	0	584.558	3.073	50	0		KGAARN
COc1ccccc1NC(=O)Cn1cnc2sc(C(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)c(C)c2c1=O	ZINC000098049798	554169131	/nfs/dbraw/zinc/16/91/31/554169131.db2.gz	UKFWYSMPDYDAHF-UHFFFAOYSA-N	0	0	575.647	3.100	50	0		KGAARN
CCOC(=O)N1CCN(C(=O)c2sc3ncn(CC(=O)Nc4ccc(C)c(Cl)c4)c(=O)c3c2C)CC1	ZINC000098049805	554169019	/nfs/dbraw/zinc/16/90/19/554169019.db2.gz	LUVGLAQXNZFWMP-UHFFFAOYSA-N	0	0	532.022	3.281	50	0		KGAARN
CCOC(=O)N1CCN(C(=O)c2sc3ncn(CC(=O)Nc4cccc(C(F)(F)F)c4)c(=O)c3c2C)CC1	ZINC000098049813	554169404	/nfs/dbraw/zinc/16/94/04/554169404.db2.gz	BSGVHLFGECNLQV-UHFFFAOYSA-N	0	0	551.547	3.338	50	0		KGAARN
CCOC(=O)N1CCN(C(=O)c2cnc3ccc(S(=O)(=O)N(C)c4ccc(C(C)C)cc4)cc3c2O)CC1	ZINC000098049832	554169413	/nfs/dbraw/zinc/16/94/13/554169413.db2.gz	BWTIICZYWLTVHY-UHFFFAOYSA-N	0	0	540.642	3.391	50	0		KGAARN
CCOC(=O)N1CCN(C(=O)c2cnc3ccc(S(=O)(=O)N(C)c4ccc(Br)cc4)cc3c2O)CC1	ZINC000098049834	554169378	/nfs/dbraw/zinc/16/93/78/554169378.db2.gz	SXVPOLKVMLVDBZ-UHFFFAOYSA-N	0	0	577.457	3.030	50	0		KGAARN
NS(=O)(=O)c1ccc(CCNC(=O)C2CCN(c3nc4ccccc4n3Cc3ccc(F)cc3)CC2)cc1	ZINC000098050181	554172995	/nfs/dbraw/zinc/17/29/95/554172995.db2.gz	SQRQNHJRJGGXQC-UHFFFAOYSA-N	0	0	535.645	3.446	50	0		KGAARN
CCOC(=O)N1CCc2c(sc3c2c(=O)n(Cc2ccccc2)c(=O)n3CC(=O)Nc2cccc(OC)c2)C1	ZINC000098050182	554172935	/nfs/dbraw/zinc/17/29/35/554172935.db2.gz	WFHQAZKXGWGVGO-UHFFFAOYSA-N	0	0	548.621	3.435	50	0		KGAARN
O=C(OCCN1C(=O)c2cccc3c(N4CCCCC4)ccc(c32)C1=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1	ZINC000098050188	554172862	/nfs/dbraw/zinc/17/28/62/554172862.db2.gz	JFJXXVBRHHDYRZ-UHFFFAOYSA-N	0	0	577.659	3.304	50	0		KGAARN
NS(=O)(=O)c1ccc(NC(=O)CSc2nnc(-c3ccncc3)n2-c2ccc(Br)cc2)cc1	ZINC000098050407	554174720	/nfs/dbraw/zinc/17/47/20/554174720.db2.gz	JIKBJCITROBBBK-UHFFFAOYSA-N	0	0	545.444	3.470	50	0		KGAARN
O=c1c2ccsc2ncn1CCS(=O)(=O)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1	ZINC000098050561	554175167	/nfs/dbraw/zinc/17/51/67/554175167.db2.gz	IPUNKQQCXOFNCC-UHFFFAOYSA-N	0	0	530.622	3.473	50	0		KGAARN
Cc1cc(C(=O)CN2CCN(S(=O)(=O)c3cccs3)CC2)c(C)n1-c1c(C)n(C)n(-c2ccccc2)c1=O	ZINC000098050569	554175506	/nfs/dbraw/zinc/17/55/06/554175506.db2.gz	FQIXUFHSVOHYSW-UHFFFAOYSA-N	0	0	553.710	3.143	50	0		KGAARN
O=C(/C=C\c1cn(Cc2ccccc2)nc1-c1cccs1)OCC(=O)N(C1CC1)[C@@H]1CCS(=O)(=O)C1	ZINC000098053956	1060007343	/nfs/dbraw/zinc/00/73/43/1060007343.db2.gz	HHNZUUICOWVJCZ-KKCDMYQCSA-N	0	0	525.652	3.394	50	0		KGAARN
O=C(/C=C\c1cn(Cc2ccccc2)nc1-c1cccs1)OCC(=O)N(C1CC1)[C@H]1CCS(=O)(=O)C1	ZINC000098053957	1060007487	/nfs/dbraw/zinc/00/74/87/1060007487.db2.gz	HHNZUUICOWVJCZ-GIVJRHHMSA-N	0	0	525.652	3.394	50	0		KGAARN
COC(=O)c1ccccc1NC(=O)Cn1c2cc(C(=O)NCc3ccco3)ccc2c(=O)n(-c2ccc(C)cc2)c1=O	ZINC000100019885	554181891	/nfs/dbraw/zinc/18/18/91/554181891.db2.gz	DEHSJQKSCKIIQR-UHFFFAOYSA-N	0	0	566.570	3.409	50	0		KGAARN
COc1ccc(C(OC[C@H]2O[C@@H](n3cnc4c3ncnc4N)[C@H](O)[C@@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1	ZINC000100043095	554192887	/nfs/dbraw/zinc/19/28/87/554192887.db2.gz	KOQFCLKBHJBRTB-BQOYKFDPSA-N	0	0	569.618	3.054	50	0		KGAARN
O=C1[C@@H]2CC=C(Cl)C[C@@H]2C(=O)N1CN(Cc1ccccc1)CN1C(=O)[C@@H]2CC=C(Cl)C[C@@H]2C1=O	ZINC000100053577	554195368	/nfs/dbraw/zinc/19/53/68/554195368.db2.gz	LUCZBTVPCUMDBT-CGXNFDGLSA-N	0	0	502.398	3.439	50	0		KGAARN
O=C1[C@@H]2CC=C(Cl)C[C@@H]2C(=O)N1CN(Cc1ccccc1)CN1C(=O)[C@@H]2CC(Cl)=CC[C@@H]2C1=O	ZINC000100053580	554195322	/nfs/dbraw/zinc/19/53/22/554195322.db2.gz	LUCZBTVPCUMDBT-UJOPUZHASA-N	0	0	502.398	3.439	50	0		KGAARN
O=C(OC[C@H]1O[C@H](OC(=O)c2ccccc2)[C@H](OS(=O)(=O)n2ccnc2)[C@@H]1OC(=O)c1ccccc1)c1ccccc1	ZINC000100056933	554196741	/nfs/dbraw/zinc/19/67/41/554196741.db2.gz	DHQMZEQWPVIFFR-DOUCHOMGSA-N	0	0	592.582	3.026	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC)c(I)c3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2	ZINC000100065731	554199854	/nfs/dbraw/zinc/19/98/54/554199854.db2.gz	KJXNUXFPWALMME-BJJGPXNVSA-N	0	0	604.422	3.140	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC)c(I)c3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2	ZINC000100065734	554199793	/nfs/dbraw/zinc/19/97/93/554199793.db2.gz	KJXNUXFPWALMME-IOKRJLGCSA-N	0	0	604.422	3.140	50	0		KGAARN
NS(=O)(=O)c1ccc(Cn2c(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)cs/c2=N\c2ccc(F)cc2)cc1	ZINC000100072001	554202176	/nfs/dbraw/zinc/20/21/76/554202176.db2.gz	LKLFUTGCPIZDGZ-WCTVFOPTSA-N	0	0	588.708	3.305	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc4c(cc3Br)OCO4)c(=O)n2[C@@H]1c1cc(OC)ccc1OC	ZINC000100072367	554202055	/nfs/dbraw/zinc/20/20/55/554202055.db2.gz	PEVJWKTWZQSNNO-PNDZLGSGSA-N	0	0	587.448	3.307	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc4c(cc3Br)OCO4)c(=O)n2[C@H]1c1cc(OC)ccc1OC	ZINC000100072368	554202103	/nfs/dbraw/zinc/20/21/03/554202103.db2.gz	PEVJWKTWZQSNNO-NPNCKBELSA-N	0	0	587.448	3.307	50	0		KGAARN
COC(=O)[C@@H](N)Cc1cc(I)c(Oc2ccc(O)cc2)c(I)c1	ZINC000100082831	554207631	/nfs/dbraw/zinc/20/76/31/554207631.db2.gz	ZNUQUHHTCGWFOR-AWEZNQCLSA-N	0	0	539.107	3.437	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(OC)c(O)cc3Br)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2	ZINC000100092045	554212254	/nfs/dbraw/zinc/21/22/54/554212254.db2.gz	AVRMVAKQRGQILG-QVFHAIOXSA-N	0	0	573.421	3.004	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(OC)c(O)cc3Br)c(=O)n2[C@H]1c1ccc2c(c1)OCO2	ZINC000100092050	554212255	/nfs/dbraw/zinc/21/22/55/554212255.db2.gz	AVRMVAKQRGQILG-HMEHKCSNSA-N	0	0	573.421	3.004	50	0		KGAARN
O=C1C[C@H](N2CCN(Cc3ccc(Cl)cc3)CC2)C(=O)N1c1ccc(I)cc1	ZINC000100095702	554216248	/nfs/dbraw/zinc/21/62/48/554216248.db2.gz	YHNCVVVYWKOJFY-IBGZPJMESA-N	0	0	509.775	3.394	50	0		KGAARN
COc1ccc(C(OC[C@H]2O[C@@H](n3cnc4c3nc[nH]c4=O)[C@H](OC)[C@@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1	ZINC000100096396	554217389	/nfs/dbraw/zinc/21/73/89/554217389.db2.gz	KXFBGUCGEWPHRA-QWOIFIOOSA-N	0	0	584.629	3.419	50	0		KGAARN
CCOc1ccc(NC(=O)[C@@H]2CC(=O)N(CCCN3C[C@H](C(=O)Nc4ccc(OCC)cc4)CC3=O)C2)cc1	ZINC000100099777	554219577	/nfs/dbraw/zinc/21/95/77/554219577.db2.gz	ZJDISKQFICPMIC-NHCUHLMSSA-N	0	0	536.629	3.148	50	0		KGAARN
CCOc1ccc(NC(=O)[C@@H]2CC(=O)N(CCCN3C[C@@H](C(=O)Nc4ccc(OCC)cc4)CC3=O)C2)cc1	ZINC000100099779	554219526	/nfs/dbraw/zinc/21/95/26/554219526.db2.gz	ZJDISKQFICPMIC-OYRHEFFESA-N	0	0	536.629	3.148	50	0		KGAARN
CCOc1ccc(NC(=O)[C@H]2CC(=O)N(CCCN3C[C@@H](C(=O)Nc4ccc(OCC)cc4)CC3=O)C2)cc1	ZINC000100099780	554219590	/nfs/dbraw/zinc/21/95/90/554219590.db2.gz	ZJDISKQFICPMIC-SFTDATJTSA-N	0	0	536.629	3.148	50	0		KGAARN
O=C(COc1ccc(S(=O)(=O)N2CCOCC2)cc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1	ZINC000100108261	554220834	/nfs/dbraw/zinc/22/08/34/554220834.db2.gz	BJLZZVULUHUWEW-UHFFFAOYSA-N	0	0	535.666	3.020	50	0		KGAARN
COC(=O)C1=C(C(=O)OC)SC2(S1)C(C(=O)OC)=C(C(=O)OC)SC1=C2c2cc(C)cc3c2N(C(=O)C3=O)C1(C)C	ZINC000100116880	554223829	/nfs/dbraw/zinc/22/38/29/554223829.db2.gz	DNXQLMTYVUHDOI-UHFFFAOYSA-N	0	0	617.679	3.108	50	0		KGAARN
COC(=O)C1=C(C(=O)OC)SC2(S1)C(C(=O)OC)=C(C(=O)OC)SC1=C2c2ccc(C)c3c2N(C(=O)C3=O)C1(C)C	ZINC000100116887	554223813	/nfs/dbraw/zinc/22/38/13/554223813.db2.gz	FQCJEABAEXDYJC-UHFFFAOYSA-N	0	0	617.679	3.108	50	0		KGAARN
CCOc1ccc(CCn2c3c(c(=O)[nH]c2=O)[C@](NC(=O)CCc2ccccc2)(C(F)(F)F)C(=O)N3)cc1OCC	ZINC000100121548	554224413	/nfs/dbraw/zinc/22/44/13/554224413.db2.gz	ZFSPMXPLYSBJKK-HHHXNRCGSA-N	0	0	574.556	3.035	50	0		KGAARN
CCOc1ccc(CCn2c3c(c(=O)[nH]c2=O)[C@@](NC(=O)CCc2ccccc2)(C(F)(F)F)C(=O)N3)cc1OCC	ZINC000100121552	554224377	/nfs/dbraw/zinc/22/43/77/554224377.db2.gz	ZFSPMXPLYSBJKK-MHZLTWQESA-N	0	0	574.556	3.035	50	0		KGAARN
Cc1ccc(-n2c3c(c(=O)[nH]c2=O)[C@](NC(=O)c2ccc(Cl)cc2Cl)(C(F)(F)F)C(=O)N3)cc1	ZINC000100123903	554224701	/nfs/dbraw/zinc/22/47/01/554224701.db2.gz	RYKQVRWHIWLNAI-HXUWFJFHSA-N	0	0	513.259	3.281	50	0		KGAARN
Cc1ccc(-n2c3c(c(=O)[nH]c2=O)[C@@](NC(=O)c2ccc(Cl)cc2Cl)(C(F)(F)F)C(=O)N3)cc1	ZINC000100123905	554224732	/nfs/dbraw/zinc/22/47/32/554224732.db2.gz	RYKQVRWHIWLNAI-FQEVSTJZSA-N	0	0	513.259	3.281	50	0		KGAARN
CC1=CC(C)(C)N(C(=O)CN2C(=O)[C@@H]3CCCC[C@@H]3C2=O)c2ccc(OC(=O)CN3C(=O)[C@@H]4CCCC[C@@H]4C3=O)cc21	ZINC000100127547	554224956	/nfs/dbraw/zinc/22/49/56/554224956.db2.gz	NRVFSIPBLSKDGU-MESAYYPLSA-N	0	0	575.662	3.471	50	0		KGAARN
CC1=CC(C)(C)N(C(=O)CN2C(=O)[C@@H]3CCCC[C@@H]3C2=O)c2ccc(OC(=O)CN3C(=O)[C@H]4CCCC[C@@H]4C3=O)cc21	ZINC000100127551	554225065	/nfs/dbraw/zinc/22/50/65/554225065.db2.gz	NRVFSIPBLSKDGU-BJESRGMDSA-N	0	0	575.662	3.471	50	0		KGAARN
COc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](CC(=O)[O-])[NH2+][C@]32c3ccccc3N(Cc3ccccc3Cl)C2=O)cc1	ZINC000100138654	554227281	/nfs/dbraw/zinc/22/72/81/554227281.db2.gz	UWGGBQRXBXVNRS-CVRJGYJLSA-N	0	0	545.979	3.343	50	0		KGAARN
CC(=O)OC[C@H]1O[C@@H](Sc2ccccc2)[C@H](NC(=O)OCC(Cl)(Cl)Cl)[C@@H](OC(C)=O)[C@H]1OC(C)=O	ZINC000100138693	554227312	/nfs/dbraw/zinc/22/73/12/554227312.db2.gz	AZDNCEYOFMNMSH-FQBWVUSXSA-N	0	0	572.847	3.395	50	0		KGAARN
C[C@@H]1N[C@@]2(c3ccccc3N(CC(=O)N3CCc4ccccc43)C2=O)[C@@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@@H]21	ZINC000100164673	554235748	/nfs/dbraw/zinc/23/57/48/554235748.db2.gz	JMBVWTIZYQPIAZ-XPVZSIRWSA-N	0	0	541.007	3.269	50	0		KGAARN
COc1cc(C(=O)NC(=S)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)ccc1OCc1ccccc1	ZINC000100166231	554236815	/nfs/dbraw/zinc/23/68/15/554236815.db2.gz	MLPIFWIIJTZXJZ-UHFFFAOYSA-N	0	0	541.651	3.422	50	0		KGAARN
CCOC(=O)c1cc(NCc2cc(Br)c(OCC(N)=O)c(OCC)c2)ccc1N1CCOCC1	ZINC000100170955	554238295	/nfs/dbraw/zinc/23/82/95/554238295.db2.gz	BENPHXLGJMJRLQ-UHFFFAOYSA-N	0	0	536.423	3.337	50	0		KGAARN
CC(=O)Nc1cccc(N2C(=O)C[C@H](N3CCN(c4ccc(C(=O)c5cccs5)cc4)CC3)C2=O)c1	ZINC000100176729	554240628	/nfs/dbraw/zinc/24/06/28/554240628.db2.gz	ZELOINDUMCSNGD-QHCPKHFHSA-N	0	0	502.596	3.392	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(I)o3)c(=O)n2[C@H]1c1ccc(OC)cc1	ZINC000100185591	554242475	/nfs/dbraw/zinc/24/24/75/554242475.db2.gz	IYJJCSAROFWHKM-SKTWIKFTSA-N	0	0	550.374	3.005	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)c(O)c3)c(=O)n2[C@@H]1c1ccc(OCC)c(OCC)c1	ZINC000100189645	554243911	/nfs/dbraw/zinc/24/39/11/554243911.db2.gz	CINMHSYRUKMUFV-CBYYHRJHSA-N	0	0	538.622	3.310	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)c(O)c3)c(=O)n2[C@H]1c1ccc(OCC)c(OCC)c1	ZINC000100189650	554243862	/nfs/dbraw/zinc/24/38/62/554243862.db2.gz	CINMHSYRUKMUFV-PNZYDNNZSA-N	0	0	538.622	3.310	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc4c(c3)OCO4)c(=O)n2[C@@H]1c1ccc(OCC)c(OCC)c1	ZINC000100189738	554243921	/nfs/dbraw/zinc/24/39/21/554243921.db2.gz	XSIOUKRUNKSURP-VVNKCDPRSA-N	0	0	536.606	3.324	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc4c(c3)OCO4)c(=O)n2[C@H]1c1ccc(OCC)c(OCC)c1	ZINC000100189742	554243849	/nfs/dbraw/zinc/24/38/49/554243849.db2.gz	XSIOUKRUNKSURP-PLQXQRLBSA-N	0	0	536.606	3.324	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(O)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OCC)c(OCC)c1	ZINC000100189775	554244134	/nfs/dbraw/zinc/24/41/34/554244134.db2.gz	ZYAWORDZBVYVEK-CBYYHRJHSA-N	0	0	538.622	3.310	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(O)c(OC)c3)c(=O)n2[C@H]1c1ccc(OCC)c(OCC)c1	ZINC000100189781	554244165	/nfs/dbraw/zinc/24/41/65/554244165.db2.gz	ZYAWORDZBVYVEK-PNZYDNNZSA-N	0	0	538.622	3.310	50	0		KGAARN
CCOC(=O)Cn1cc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(F)cc2)C(C(=O)OCC)=C(C)N=3)c2ccccc21	ZINC000100216108	554250383	/nfs/dbraw/zinc/25/03/83/554250383.db2.gz	NKPKQBYNJCYOGQ-ARLGEPFESA-N	0	0	547.608	3.455	50	0		KGAARN
CCOC(=O)Cn1cc(/C=c2\sc3n(c2=O)[C@H](c2ccc(F)cc2)C(C(=O)OCC)=C(C)N=3)c2ccccc21	ZINC000100216113	554250291	/nfs/dbraw/zinc/25/02/91/554250291.db2.gz	NKPKQBYNJCYOGQ-SCRHHBKZSA-N	0	0	547.608	3.455	50	0		KGAARN
CCc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)S(=O)(=O)c1ccc(C)cc1	ZINC000100219959	554251533	/nfs/dbraw/zinc/25/15/33/554251533.db2.gz	ACOYAZUKZTWLBG-UHFFFAOYSA-N	0	0	557.694	3.412	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(N4CCOCC4)o3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1	ZINC000100226314	554253212	/nfs/dbraw/zinc/25/32/12/554253212.db2.gz	RCVGFWVKSHJDMV-XOYGFPHKSA-N	0	0	618.506	3.008	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(N4CCOCC4)o3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1	ZINC000100226318	554253201	/nfs/dbraw/zinc/25/32/01/554253201.db2.gz	RCVGFWVKSHJDMV-YJADQXIJSA-N	0	0	618.506	3.008	50	0		KGAARN
CO[C@H]1O[C@H](COC(=O)c2ccccc2)[C@@H](O)[C@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1	ZINC000100227759	554253757	/nfs/dbraw/zinc/25/37/57/554253757.db2.gz	WXFFEILSURAFKL-NRUNVSGISA-N	0	0	506.507	3.027	50	0		KGAARN
COc1ccc(CCn2c3c(c(=O)[nH]c2=O)[C@](NC(=O)c2ccc(Cl)cc2Cl)(C(F)(F)F)C(=O)N3)cc1OC	ZINC000100229120	554254721	/nfs/dbraw/zinc/25/47/21/554254721.db2.gz	CMUGZLKGCMGJMZ-HSZRJFAPSA-N	0	0	587.338	3.243	50	0		KGAARN
COc1ccc(CCn2c3c(c(=O)[nH]c2=O)[C@@](NC(=O)c2ccc(Cl)cc2Cl)(C(F)(F)F)C(=O)N3)cc1OC	ZINC000100229122	554254615	/nfs/dbraw/zinc/25/46/15/554254615.db2.gz	CMUGZLKGCMGJMZ-QHCPKHFHSA-N	0	0	587.338	3.243	50	0		KGAARN
COc1ccc(C(OC[C@H]2O[C@@H](n3cc(C)c(=O)[nH]c3=O)[C@H](OC)[C@@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1	ZINC000100229218	554254741	/nfs/dbraw/zinc/25/47/41/554254741.db2.gz	VFLOXJCZWDDILQ-NODMTMHWSA-N	0	0	574.630	3.144	50	0		KGAARN
COc1ccc(C(OC[C@H]2O[C@@H](n3cnc4c3nc(N)[nH]c4=O)[C@H](OC)[C@@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1	ZINC000100229295	554254750	/nfs/dbraw/zinc/25/47/50/554254750.db2.gz	AYVWAUNZRMANQB-BQOYKFDPSA-N	0	0	599.644	3.001	50	0		KGAARN
CC(=O)Nc1ccc(S(=O)(=O)N[C@@]2(C(F)(F)F)C(=O)Nc3c2c(=O)[nH]c(=S)n3C2CCCCC2)cc1	ZINC000100229983	554255526	/nfs/dbraw/zinc/25/55/26/554255526.db2.gz	GGJNAQNINSBIOL-HXUWFJFHSA-N	0	0	545.565	3.058	50	0		KGAARN
CC(=O)Nc1ccc(S(=O)(=O)N[C@]2(C(F)(F)F)C(=O)Nc3c2c(=O)[nH]c(=S)n3C2CCCCC2)cc1	ZINC000100229985	554255579	/nfs/dbraw/zinc/25/55/79/554255579.db2.gz	GGJNAQNINSBIOL-FQEVSTJZSA-N	0	0	545.565	3.058	50	0		KGAARN
CCOC(=O)C1=C(Cn2c(Nc3ccc(C)cc3)nc3c2c(=O)n(C)c(=O)n3C)N(C)C(=O)N[C@@H]1c1ccc(C)cc1	ZINC000100239383	554260048	/nfs/dbraw/zinc/26/00/48/554260048.db2.gz	PJQNHUXXVOQIJJ-HSZRJFAPSA-N	0	0	571.638	3.008	50	0		KGAARN
CCOC(=O)C1=C(Cn2c(Nc3ccc(C)cc3)nc3c2c(=O)n(C)c(=O)n3C)N(C)C(=O)N[C@H]1c1ccc(C)cc1	ZINC000100239386	554260028	/nfs/dbraw/zinc/26/00/28/554260028.db2.gz	PJQNHUXXVOQIJJ-QHCPKHFHSA-N	0	0	571.638	3.008	50	0		KGAARN
Cc1cccc(CSCCNC(=O)[C@@H]2CN(S(=O)(=O)c3ccccc3)CCN2S(=O)(=O)c2ccccc2)c1	ZINC000100242841	554261087	/nfs/dbraw/zinc/26/10/87/554261087.db2.gz	ODDXUTGLMDBWPY-SANMLTNESA-N	0	0	573.762	3.108	50	0		KGAARN
Cc1cccc(CSCCNC(=O)[C@H]2CN(S(=O)(=O)c3ccccc3)CCN2S(=O)(=O)c2ccccc2)c1	ZINC000100242843	554261120	/nfs/dbraw/zinc/26/11/20/554261120.db2.gz	ODDXUTGLMDBWPY-AREMUKBSSA-N	0	0	573.762	3.108	50	0		KGAARN
COC(=O)Cn1c(=O)sc2c1N(c1ccc(OC)cc1)C(=O)C[C@H]2c1cc2c(c(OC)c1OC)OCO2	ZINC000100248524	554261777	/nfs/dbraw/zinc/26/17/77/554261777.db2.gz	ZRIVORWKXFYLGP-INIZCTEOSA-N	0	0	528.539	3.038	50	0		KGAARN
COC(=O)Cn1c(=O)sc2c1N(c1ccc(OC)cc1)C(=O)C[C@@H]2c1cc2c(c(OC)c1OC)OCO2	ZINC000100248527	554261761	/nfs/dbraw/zinc/26/17/61/554261761.db2.gz	ZRIVORWKXFYLGP-MRXNPFEDSA-N	0	0	528.539	3.038	50	0		KGAARN
CCOC(=O)C(C=Nc1ccc(S(=O)(=O)c2ccc(N=CC(C(=O)OCC)C(=O)OCC)cc2)cc1)C(=O)OCC	ZINC000100251053	554262635	/nfs/dbraw/zinc/26/26/35/554262635.db2.gz	WDGGKTJDOULDBD-UHFFFAOYSA-N	0	0	588.635	3.363	50	0		KGAARN
COC(=O)Cn1c(=O)sc2c1N(c1ccc(OC)cc1)C(=O)C[C@H]2c1cc(OC)c2c(c1OC)OCO2	ZINC000100251132	554262618	/nfs/dbraw/zinc/26/26/18/554262618.db2.gz	QMFKFPOHXOVVEV-INIZCTEOSA-N	0	0	528.539	3.038	50	0		KGAARN
COC(=O)Cn1c(=O)sc2c1N(c1ccc(OC)cc1)C(=O)C[C@@H]2c1cc(OC)c2c(c1OC)OCO2	ZINC000100251134	554262605	/nfs/dbraw/zinc/26/26/05/554262605.db2.gz	QMFKFPOHXOVVEV-MRXNPFEDSA-N	0	0	528.539	3.038	50	0		KGAARN
COC(=O)Cn1c(=O)sc2c1N(c1cccc(OC)c1)C(=O)C[C@H]2c1cc(OC)c2c(c1OC)OCO2	ZINC000100251172	554262989	/nfs/dbraw/zinc/26/29/89/554262989.db2.gz	BGTUEFJLNAFAQF-INIZCTEOSA-N	0	0	528.539	3.038	50	0		KGAARN
COC(=O)Cn1c(=O)sc2c1N(c1cccc(OC)c1)C(=O)C[C@@H]2c1cc(OC)c2c(c1OC)OCO2	ZINC000100251174	554262937	/nfs/dbraw/zinc/26/29/37/554262937.db2.gz	BGTUEFJLNAFAQF-MRXNPFEDSA-N	0	0	528.539	3.038	50	0		KGAARN
COc1cc([C@H]2c3c(cc(C)oc3=O)O[C@H]2C(=O)Nc2cc(OC)c(OC)c(OC)c2)c(OC)c2c1OCO2	ZINC000100256532	554264756	/nfs/dbraw/zinc/26/47/56/554264756.db2.gz	GMPZUPGISGELAF-YADARESESA-N	0	0	541.509	3.252	50	0		KGAARN
COc1cc([C@@H]2c3c(cc(C)oc3=O)O[C@H]2C(=O)Nc2cc(OC)c(OC)c(OC)c2)c(OC)c2c1OCO2	ZINC000100256537	554264733	/nfs/dbraw/zinc/26/47/33/554264733.db2.gz	GMPZUPGISGELAF-NTKDMRAZSA-N	0	0	541.509	3.252	50	0		KGAARN
COc1cc([C@H]2c3c(cc(C)oc3=O)O[C@@H]2C(=O)Nc2cc(OC)c(OC)c(OC)c2)c(OC)c2c1OCO2	ZINC000100256542	554264728	/nfs/dbraw/zinc/26/47/28/554264728.db2.gz	GMPZUPGISGELAF-CYFREDJKSA-N	0	0	541.509	3.252	50	0		KGAARN
COc1cc([C@@H]2c3c(cc(C)oc3=O)O[C@@H]2C(=O)Nc2cc(OC)c(OC)c(OC)c2)c(OC)c2c1OCO2	ZINC000100256547	554264730	/nfs/dbraw/zinc/26/47/30/554264730.db2.gz	GMPZUPGISGELAF-DVECYGJZSA-N	0	0	541.509	3.252	50	0		KGAARN
O=C(CSc1nc(SCC(=O)NC2CCCC2)nc(SCC(=O)NC2CCCC2)n1)NC1CCCC1	ZINC000100282831	554277061	/nfs/dbraw/zinc/27/70/61/554277061.db2.gz	OARKHHBEDVHVHN-UHFFFAOYSA-N	0	0	552.792	3.324	50	0		KGAARN
COc1ccc(OCCN2C(=O)C[C@H]([C@H]3C=C(C)C4=C(C3)C(=O)N(CCOc3ccc(OC)cc3)C4=O)C2=O)cc1	ZINC000100286507	554280564	/nfs/dbraw/zinc/28/05/64/554280564.db2.gz	KLTPJRDNUPOVMW-NBGIEHNGSA-N	0	0	560.603	3.168	50	0		KGAARN
COc1ccc(OCCN2C(=O)C[C@H]([C@@H]3C=C(C)C4=C(C3)C(=O)N(CCOc3ccc(OC)cc3)C4=O)C2=O)cc1	ZINC000100286510	554280536	/nfs/dbraw/zinc/28/05/36/554280536.db2.gz	KLTPJRDNUPOVMW-CJFMBICVSA-N	0	0	560.603	3.168	50	0		KGAARN
COc1ccc(C(OC[C@@H]2O[C@@H]3[C@H](Oc4nc(=O)ccn43)[C@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1	ZINC000100293658	1059002470	/nfs/dbraw/zinc/00/24/70/1059002470.db2.gz	OEIRLWHCGAICDW-GDWZEYGFSA-N	0	0	528.561	3.289	50	0		KGAARN
COc1ccc(C(OC[C@@H]2O[C@@H]3[C@H](Oc4nc(=O)ccn43)[C@@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1	ZINC000100293665	1059002970	/nfs/dbraw/zinc/00/29/70/1059002970.db2.gz	OEIRLWHCGAICDW-DQFDVREHSA-N	0	0	528.561	3.289	50	0		KGAARN
CCOc1ccc([C@@H]2C(C(=O)OC)=C(C)N=c3s/c(=C\c4ccc(OC(C)=O)cc4)c(=O)n32)cc1OCC	ZINC000100303379	554292020	/nfs/dbraw/zinc/29/20/20/554292020.db2.gz	PHXKSTNORQOKKU-CBYYHRJHSA-N	0	0	536.606	3.131	50	0		KGAARN
CCOc1ccc([C@H]2C(C(=O)OC)=C(C)N=c3s/c(=C\c4ccc(OC(C)=O)cc4)c(=O)n32)cc1OCC	ZINC000100303384	554292002	/nfs/dbraw/zinc/29/20/02/554292002.db2.gz	PHXKSTNORQOKKU-PNZYDNNZSA-N	0	0	536.606	3.131	50	0		KGAARN
CCOC(=O)COc1c(Br)cc(/C=C2/SC(=O)N(CC(=O)N3CCCC3)C2=O)cc1OC	ZINC000100342775	554328036	/nfs/dbraw/zinc/32/80/36/554328036.db2.gz	LHDYNGFEVDDAGP-MHWRWJLKSA-N	0	0	527.393	3.058	50	0		KGAARN
O=C(CNC(=O)c1ccc(Br)cc1)NCC(=O)OCC(=O)c1ccc(OCc2ccccc2)cc1	ZINC000100350797	554331105	/nfs/dbraw/zinc/33/11/05/554331105.db2.gz	LDEDBSFKPLXEFA-UHFFFAOYSA-N	0	0	539.382	3.300	50	0		KGAARN
CS(=O)(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3cc(I)ccc3Cl)cc2)CC1	ZINC000100370548	554356158	/nfs/dbraw/zinc/35/61/58/554356158.db2.gz	SICJIDXNMPXPPX-UHFFFAOYSA-N	0	0	578.885	3.153	50	0		KGAARN
CS(=O)(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3cc(Br)ccc3Cl)cc2)CC1	ZINC000100371152	554356509	/nfs/dbraw/zinc/35/65/09/554356509.db2.gz	VIPMASFFXFNKJP-UHFFFAOYSA-N	0	0	531.885	3.311	50	0		KGAARN
CCOc1cc(C(=O)NC(=S)Nc2ccc(N3CCN(S(C)(=O)=O)CC3)cc2)cc(OCC)c1OCC	ZINC000100372343	554357843	/nfs/dbraw/zinc/35/78/43/554357843.db2.gz	ZCJKCUDVHWHXSV-UHFFFAOYSA-N	0	0	550.703	3.091	50	0		KGAARN
COc1ccc(CCNC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1OC	ZINC000100377514	554360662	/nfs/dbraw/zinc/36/06/62/554360662.db2.gz	VJUHGDLTTLOGLK-UHFFFAOYSA-N	0	0	542.654	3.313	50	0		KGAARN
CC1CCN(S(=O)(=O)c2cccc(S(=O)(=O)c3cccc(S(=O)(=O)N4CCC(C)CC4)c3)c2)CC1	ZINC000100386660	554364879	/nfs/dbraw/zinc/36/48/79/554364879.db2.gz	ZAXVFKVWXOGIAN-UHFFFAOYSA-N	0	0	540.729	3.361	50	0		KGAARN
O=C1[C@@H]2[C@H](c3ccco3)N3[C@@H]4C(=O)N(c5ccccc5)C(=O)[C@@H]4[C@H](c4ccco4)N3[C@H]2C(=O)N1c1ccccc1	ZINC000100391861	193913265	/nfs/dbraw/zinc/91/32/65/193913265.db2.gz	XRSDKYOLHVCHLM-RMLCQDLPSA-N	0	0	534.528	3.318	50	0		KGAARN
O=C1[C@@H]2[C@H](c3ccco3)N3[C@@H]4C(=O)N(c5ccccc5)C(=O)[C@H]4[C@H](c4ccco4)N3[C@H]2C(=O)N1c1ccccc1	ZINC000100391865	193913301	/nfs/dbraw/zinc/91/33/01/193913301.db2.gz	XRSDKYOLHVCHLM-FBQZJRKBSA-N	0	0	534.528	3.318	50	0		KGAARN
O=C1[C@@H]2[C@H](c3ccco3)N3[C@@H]4C(=O)N(c5ccccc5)C(=O)[C@@H]4[C@@H](c4ccco4)N3[C@H]2C(=O)N1c1ccccc1	ZINC000100391869	554367274	/nfs/dbraw/zinc/36/72/74/554367274.db2.gz	XRSDKYOLHVCHLM-GNPXQVHSSA-N	0	0	534.528	3.318	50	0		KGAARN
O=C1[C@@H]2[C@H](c3ccco3)N3[C@@H]4C(=O)N(c5ccccc5)C(=O)[C@H]4[C@@H](c4ccco4)N3[C@H]2C(=O)N1c1ccccc1	ZINC000100391873	554367328	/nfs/dbraw/zinc/36/73/28/554367328.db2.gz	XRSDKYOLHVCHLM-FVXAFIASSA-N	0	0	534.528	3.318	50	0		KGAARN
Cc1c2c(=O)n(-c3ccccc3)nc-2c2c(n1CCC[NH+]1CCOCC1)OC(=O)C[C@@H]2C(=O)Nc1ccccc1	ZINC000100432826	554392423	/nfs/dbraw/zinc/39/24/23/554392423.db2.gz	YSCOTVJDKCHUSK-QHCPKHFHSA-N	0	0	541.608	3.201	50	0		KGAARN
Cc1c2c(=O)n(-c3ccccc3)nc-2c2c(n1CCC[NH+]1CCOCC1)OC(=O)C[C@H]2C(=O)Nc1ccccc1	ZINC000100432827	554392445	/nfs/dbraw/zinc/39/24/45/554392445.db2.gz	YSCOTVJDKCHUSK-HSZRJFAPSA-N	0	0	541.608	3.201	50	0		KGAARN
O=C(c1cccc(I)c1)N1CCN(C(=O)c2cccc(I)c2)CC1	ZINC000100450949	554395403	/nfs/dbraw/zinc/39/54/03/554395403.db2.gz	OKBFMRUDRLALFB-UHFFFAOYSA-N	0	0	546.146	3.494	50	0		KGAARN
O=C(NCCN1CCN(Cc2ccc(Br)cc2)CC1)C(=O)Nc1ccc(Br)cc1	ZINC000100508657	554408406	/nfs/dbraw/zinc/40/84/06/554408406.db2.gz	RAFAVGUJFUBEOM-UHFFFAOYSA-N	0	0	524.257	3.084	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OC)c(OC)c3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2	ZINC000100533981	554411442	/nfs/dbraw/zinc/41/14/42/554411442.db2.gz	JBGLMRSBKUBVLW-HSELDNCXSA-N	0	0	587.448	3.307	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OC)c(OC)c3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2	ZINC000100533987	554411487	/nfs/dbraw/zinc/41/14/87/554411487.db2.gz	JBGLMRSBKUBVLW-OFHGOEMBSA-N	0	0	587.448	3.307	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)c(I)c3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1	ZINC000100534245	554411821	/nfs/dbraw/zinc/41/18/21/554411821.db2.gz	GJPHNSJVPOIYTK-VVOOWDFBSA-N	0	0	620.465	3.429	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)c(I)c3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1	ZINC000100534251	554411743	/nfs/dbraw/zinc/41/17/43/554411743.db2.gz	GJPHNSJVPOIYTK-JUTHHCEFSA-N	0	0	620.465	3.429	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(O)c(Br)c3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1	ZINC000100534434	554411783	/nfs/dbraw/zinc/41/17/83/554411783.db2.gz	DWGNLUPSJMJNNZ-VMOHIOPYSA-N	0	0	559.438	3.284	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(O)c(Br)c3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1	ZINC000100534438	554411826	/nfs/dbraw/zinc/41/18/26/554411826.db2.gz	DWGNLUPSJMJNNZ-IYMWYRQMSA-N	0	0	559.438	3.284	50	0		KGAARN
Cc1c(Cl)cccc1NC(=O)[C@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1	ZINC000100557112	554416636	/nfs/dbraw/zinc/41/66/36/554416636.db2.gz	MHHMGFNELRUAJY-HSZRJFAPSA-N	0	0	534.059	3.351	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC(C)=O)c(OCC)c3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1	ZINC000100561217	554417967	/nfs/dbraw/zinc/41/79/67/554417967.db2.gz	JGUHZBJRSZMGOQ-QARYAGPDSA-N	0	0	566.632	3.140	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC(C)=O)c(OCC)c3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1	ZINC000100561220	554418069	/nfs/dbraw/zinc/41/80/69/554418069.db2.gz	JGUHZBJRSZMGOQ-ZSJKCPIUSA-N	0	0	566.632	3.140	50	0		KGAARN
COC(=O)c1cc(NS(=O)(=O)c2ccc(Cl)c(N3C(=O)[C@@H]4CCCC[C@@H]4C3=O)c2)cc(C(=O)OC)c1	ZINC000100563566	554419227	/nfs/dbraw/zinc/41/92/27/554419227.db2.gz	TYALYZQPGHFOHG-HDICACEKSA-N	0	0	534.974	3.394	50	0		KGAARN
COC(=O)c1cc(NS(=O)(=O)c2ccc(Cl)c(N3C(=O)[C@H]4CCCC[C@@H]4C3=O)c2)cc(C(=O)OC)c1	ZINC000100563568	554419182	/nfs/dbraw/zinc/41/91/82/554419182.db2.gz	TYALYZQPGHFOHG-ROUUACIJSA-N	0	0	534.974	3.394	50	0		KGAARN
CC(C)(CN1CCN(CC(C)(C)NS(=O)(=O)c2ccc(Cl)cc2)CC1)NS(=O)(=O)c1ccc(Cl)cc1	ZINC000100571381	554422171	/nfs/dbraw/zinc/42/21/71/554422171.db2.gz	YVNFWPHPKMAKBS-UHFFFAOYSA-N	0	0	577.600	3.425	50	0		KGAARN
NS(=O)(=O)c1ccc(CCN(C(=O)c2ccc(Cl)cc2)[C@@H]2CC(=O)N(c3ccccc3)C2=O)cc1	ZINC000100578194	554424518	/nfs/dbraw/zinc/42/45/18/554424518.db2.gz	PYIWWYGXNLUMQW-JOCHJYFZSA-N	0	0	511.987	3.004	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(I)o3)c(=O)n2[C@@H]1c1cccs1	ZINC000100591918	554428773	/nfs/dbraw/zinc/42/87/73/554428773.db2.gz	GBKGCSYLWWLZLS-LRFDDAOPSA-N	0	0	526.377	3.057	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(I)o3)c(=O)n2[C@H]1c1cccs1	ZINC000100591921	554428737	/nfs/dbraw/zinc/42/87/37/554428737.db2.gz	GBKGCSYLWWLZLS-WQMJKPAKSA-N	0	0	526.377	3.057	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(I)cc3)c(=O)n2[C@@H]1c1ccccc1OC	ZINC000100592825	554428844	/nfs/dbraw/zinc/42/88/44/554428844.db2.gz	PPSYNHUFVSZGFP-UBXANZILSA-N	0	0	560.413	3.412	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)cc(OC)c3O)c(=O)n2[C@H]1c1cc(OC)ccc1OC	ZINC000100595018	554429763	/nfs/dbraw/zinc/42/97/63/554429763.db2.gz	UKPWRWBAUPLVHR-OFHGOEMBSA-N	0	0	589.464	3.292	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(I)cc3)c(=O)n2[C@@H]1c1cccs1	ZINC000100595811	554429969	/nfs/dbraw/zinc/42/99/69/554429969.db2.gz	YYVZIOHLANMVOI-QIPHDZALSA-N	0	0	536.416	3.464	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(I)cc3)c(=O)n2[C@H]1c1cccs1	ZINC000100595817	554430093	/nfs/dbraw/zinc/43/00/93/554430093.db2.gz	YYVZIOHLANMVOI-FYXHJSOBSA-N	0	0	536.416	3.464	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)cc(OC)c3O)c(=O)n2[C@@H]1c1cccs1	ZINC000100618216	554433363	/nfs/dbraw/zinc/43/33/63/554433363.db2.gz	YXLSGUOIYJINBE-YZIPPPLESA-N	0	0	535.441	3.337	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(OC)c(OC)c3)c(=O)n2[C@@H]1c1ccccc1	ZINC000100618308	554433552	/nfs/dbraw/zinc/43/35/52/554433552.db2.gz	GWQJRZFRSUTFSQ-CNSVBDKNSA-N	0	0	590.439	3.420	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(OC)c(OC)c3)c(=O)n2[C@H]1c1ccccc1	ZINC000100618312	554433564	/nfs/dbraw/zinc/43/35/64/554433564.db2.gz	GWQJRZFRSUTFSQ-FNGUVFISSA-N	0	0	590.439	3.420	50	0		KGAARN
CC(=O)c1ccc(N(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)[C@H](C(=O)NC2CCCCC2)c2cn(C)nc2C)cc1	ZINC000100625405	554434739	/nfs/dbraw/zinc/43/47/39/554434739.db2.gz	WRGKSHIIQKCRSH-NDEPHWFRSA-N	0	0	591.690	3.299	50	0		KGAARN
CC(=O)c1ccc(N(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)[C@@H](C(=O)NC2CCCCC2)c2cn(C)nc2C)cc1	ZINC000100625407	554434731	/nfs/dbraw/zinc/43/47/31/554434731.db2.gz	WRGKSHIIQKCRSH-MUUNZHRXSA-N	0	0	591.690	3.299	50	0		KGAARN
COc1ccc(CN(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)[C@H](C(=O)NC[C@@H]2CCCO2)c2ccc(F)cc2)cc1	ZINC000100627008	554435284	/nfs/dbraw/zinc/43/52/84/554435284.db2.gz	AXXUIHPTPCMHLG-CUBQBAPOSA-N	0	0	595.649	3.044	50	0		KGAARN
COc1ccc(CN(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)[C@@H](C(=O)NC[C@@H]2CCCO2)c2ccc(F)cc2)cc1	ZINC000100627009	554435281	/nfs/dbraw/zinc/43/52/81/554435281.db2.gz	AXXUIHPTPCMHLG-RBJSKKJNSA-N	0	0	595.649	3.044	50	0		KGAARN
COc1ccc(CN(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)[C@H](C(=O)NC[C@H]2CCCO2)c2ccc(F)cc2)cc1	ZINC000100627010	554435248	/nfs/dbraw/zinc/43/52/48/554435248.db2.gz	AXXUIHPTPCMHLG-YWEHKCAJSA-N	0	0	595.649	3.044	50	0		KGAARN
COc1ccc(CN(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)[C@@H](C(=O)NC[C@H]2CCCO2)c2ccc(F)cc2)cc1	ZINC000100627011	554435270	/nfs/dbraw/zinc/43/52/70/554435270.db2.gz	AXXUIHPTPCMHLG-UFHPHHKVSA-N	0	0	595.649	3.044	50	0		KGAARN
CCC[C@H](C(=O)N1CCN(C(=O)[C@H](CCC)N2C(=O)[C@@H]3CC=C(Cl)C[C@@H]3C2=O)CC1)N1C(=O)[C@@H]2CC=C(Cl)C[C@@H]2C1=O	ZINC000100648721	554436930	/nfs/dbraw/zinc/43/69/30/554436930.db2.gz	ARQBZIAQTPFVDV-VXAMWORUSA-N	0	0	621.562	3.030	50	0		KGAARN
CC1(C)C(=O)C2=C(NNC2)C(=O)C(C)(C)c2ccc(o2)C(C)(C)C(=O)C2=C(NNC2)C(=O)C(C)(C)c2ccc1o2	ZINC000100661494	554438867	/nfs/dbraw/zinc/43/88/67/554438867.db2.gz	WVBQFYSCKINPGZ-HOTGVXAUSA-N	0	0	548.640	3.124	50	0		KGAARN
CC1(C)C(=O)C2=C(NNC2)C(=O)C(C)(C)c2ccc(o2)C(C)(C)C(=O)C2=C(NNC2)C(=O)C(C)(C)c2ccc1o2	ZINC000100661495	554438888	/nfs/dbraw/zinc/43/88/88/554438888.db2.gz	WVBQFYSCKINPGZ-IYBDPMFKSA-N	0	0	548.640	3.124	50	0		KGAARN
CC1(C)C(=O)C2=C(NNC2)C(=O)C(C)(C)c2ccc(o2)C(C)(C)C(=O)C2=C(NNC2)C(=O)C(C)(C)c2ccc1o2	ZINC000100661496	554438871	/nfs/dbraw/zinc/43/88/71/554438871.db2.gz	WVBQFYSCKINPGZ-HZPDHXFCSA-N	0	0	548.640	3.124	50	0		KGAARN
COc1cc(/C=c2\sc3nc4cc(Br)cnc4n3c2=O)cc(Br)c1OC(C)=O	ZINC000100668785	554440481	/nfs/dbraw/zinc/44/04/81/554440481.db2.gz	ZASLFRPMONTTQL-RZNTYIFUSA-N	0	0	525.178	3.311	50	0		KGAARN
CCOC(=O)C1=c2s/c(=C/c3ccc(Cl)cc3)c(=O)n2C(N)=C(C(=O)OCC)[C@@H]1c1ccc(Cl)cc1	ZINC000100688243	554449602	/nfs/dbraw/zinc/44/96/02/554449602.db2.gz	IPOZMEPMBZGRFY-BIRYMOPTSA-N	0	0	545.444	3.247	50	0		KGAARN
CCOC(=O)C1=c2s/c(=C/c3ccc(Cl)cc3)c(=O)n2C(N)=C(C(=O)OCC)[C@H]1c1ccc(Cl)cc1	ZINC000100688244	554449574	/nfs/dbraw/zinc/44/95/74/554449574.db2.gz	IPOZMEPMBZGRFY-HJDVLLJCSA-N	0	0	545.444	3.247	50	0		KGAARN
C[C@@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCN(C(=O)c3ccc(Cl)c(S(N)(=O)=O)c3)CC2)c1)c1ccccc1	ZINC000100689926	554449872	/nfs/dbraw/zinc/44/98/72/554449872.db2.gz	NZCDWPABONCXOF-QGZVFWFLSA-N	0	0	625.556	3.279	50	0		KGAARN
C[C@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCN(C(=O)c3ccc(Cl)c(S(N)(=O)=O)c3)CC2)c1)c1ccccc1	ZINC000100689928	554449926	/nfs/dbraw/zinc/44/99/26/554449926.db2.gz	NZCDWPABONCXOF-KRWDZBQOSA-N	0	0	625.556	3.279	50	0		KGAARN
COc1cc2c(cc1OC)[C@@H](C1C(=O)CC(C)CC1=O)N(C(=O)CSC(=S)N1CCCC1)CC2	ZINC000100690339	554449887	/nfs/dbraw/zinc/44/98/87/554449887.db2.gz	QJTFUUUGDVJYSA-LPHLNYGNSA-N	0	0	504.674	3.428	50	0		KGAARN
COc1cc2c(cc1OC)[C@H](C1C(=O)CC(C)CC1=O)N(C(=O)CSC(=S)N1CCCC1)CC2	ZINC000100690341	554449914	/nfs/dbraw/zinc/44/99/14/554449914.db2.gz	QJTFUUUGDVJYSA-OALSHYCUSA-N	0	0	504.674	3.428	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)ccc3OC(C)=O)c(=O)n2[C@@H]1c1ccc(OC)cc1	ZINC000100702886	554452509	/nfs/dbraw/zinc/45/25/09/554452509.db2.gz	KMYGLCPYYWKIMQ-FJWZAKCXSA-N	0	0	571.449	3.495	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)ccc3OC(C)=O)c(=O)n2[C@H]1c1ccc(OC)cc1	ZINC000100702889	554452512	/nfs/dbraw/zinc/45/25/12/554452512.db2.gz	KMYGLCPYYWKIMQ-RQLGBQGVSA-N	0	0	571.449	3.495	50	0		KGAARN
COC(=O)C1=c2s/c(=C\c3ccc(C(C)C)cc3)c(=O)n2C(N)=C(C(=O)OC)[C@H]1c1ccc(C(C)C)cc1	ZINC000100708579	554453288	/nfs/dbraw/zinc/45/32/88/554453288.db2.gz	UOMIWYOFPVNLLJ-UAPYWLNTSA-N	0	0	532.662	3.407	50	0		KGAARN
COC(=O)C1=c2s/c(=C\c3ccc(C(C)C)cc3)c(=O)n2C(N)=C(C(=O)OC)[C@@H]1c1ccc(C(C)C)cc1	ZINC000100708580	554453250	/nfs/dbraw/zinc/45/32/50/554453250.db2.gz	UOMIWYOFPVNLLJ-AMCKHAKVSA-N	0	0	532.662	3.407	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC)cc3)c(=O)n2[C@@H]1c1ccc(OC(C)=O)c(OCC)c1	ZINC000100721781	554456015	/nfs/dbraw/zinc/45/60/15/554456015.db2.gz	OAKJQHNPMCZGAT-AQIZGWBQSA-N	0	0	536.606	3.131	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC)cc3)c(=O)n2[C@H]1c1ccc(OC(C)=O)c(OCC)c1	ZINC000100721782	554455997	/nfs/dbraw/zinc/45/59/97/554455997.db2.gz	OAKJQHNPMCZGAT-ZDGAQAAHSA-N	0	0	536.606	3.131	50	0		KGAARN
CCOc1cc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(Cl)cc2)C(C(=O)OC)=C(C)N=3)ccc1OC(C)=O	ZINC000100726215	554456900	/nfs/dbraw/zinc/45/69/00/554456900.db2.gz	DYOPAGSQZKDGEP-RQLGBQGVSA-N	0	0	526.998	3.386	50	0		KGAARN
CCOc1cc(/C=c2/sc3n(c2=O)[C@H](c2ccc(Cl)cc2)C(C(=O)OC)=C(C)N=3)ccc1OC(C)=O	ZINC000100726218	554456840	/nfs/dbraw/zinc/45/68/40/554456840.db2.gz	DYOPAGSQZKDGEP-FJWZAKCXSA-N	0	0	526.998	3.386	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3sccc3C)c(=O)n2[C@@H]1c1ccc(OC(C)=O)c(OCC)c1	ZINC000100726323	554456921	/nfs/dbraw/zinc/45/69/21/554456921.db2.gz	PQVKARFQXMCWON-QCHPHUCNSA-N	0	0	526.636	3.492	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3sccc3C)c(=O)n2[C@H]1c1ccc(OC(C)=O)c(OCC)c1	ZINC000100726324	554456888	/nfs/dbraw/zinc/45/68/88/554456888.db2.gz	PQVKARFQXMCWON-VZIOXZNFSA-N	0	0	526.636	3.492	50	0		KGAARN
O=C(Cn1cnc2c(I)cc(I)cc2c1=O)c1ccccc1	ZINC000100726460	554457003	/nfs/dbraw/zinc/45/70/03/554457003.db2.gz	OZDNVXYFDGRXTG-UHFFFAOYSA-N	0	0	516.076	3.489	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3OC)c(=O)n2[C@@H]1c1ccc(OC(C)=O)c(OCC)c1	ZINC000100727320	554457727	/nfs/dbraw/zinc/45/77/27/554457727.db2.gz	UCIOZVYLWSHSMG-XSZPGNIMSA-N	0	0	536.606	3.131	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3OC)c(=O)n2[C@H]1c1ccc(OC(C)=O)c(OCC)c1	ZINC000100727321	554457851	/nfs/dbraw/zinc/45/78/51/554457851.db2.gz	UCIOZVYLWSHSMG-XXMKCSCWSA-N	0	0	536.606	3.131	50	0		KGAARN
COc1ccccc1NC(=O)Cn1cnc2c(I)cc(I)cc2c1=O	ZINC000100731679	554460043	/nfs/dbraw/zinc/46/00/43/554460043.db2.gz	GNVHXULJQHIWAC-UHFFFAOYSA-N	0	0	561.117	3.253	50	0		KGAARN
O=C(Cn1cnc2c(I)cc(I)cc2c1=O)Nc1ccccc1F	ZINC000100731680	554460045	/nfs/dbraw/zinc/46/00/45/554460045.db2.gz	GLHQZUIIQCNAOV-UHFFFAOYSA-N	0	0	549.081	3.384	50	0		KGAARN
C[C@H](CNC(=O)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O)NC(=O)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O	ZINC000100744041	554463921	/nfs/dbraw/zinc/46/39/21/554463921.db2.gz	IFHJNJXGRVZVHQ-VBDKILDKSA-N	0	0	628.685	3.422	50	0		KGAARN
C[C@H](CNC(=O)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O)NC(=O)[C@@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O	ZINC000100744049	554463902	/nfs/dbraw/zinc/46/39/02/554463902.db2.gz	IFHJNJXGRVZVHQ-YYSPBGNDSA-N	0	0	628.685	3.422	50	0		KGAARN
O=C(Cn1cnc2c(I)cc(I)cc2c1=O)Nc1ccc(F)cc1	ZINC000100744121	554463927	/nfs/dbraw/zinc/46/39/27/554463927.db2.gz	LHNOWIJHVJEHAZ-UHFFFAOYSA-N	0	0	549.081	3.384	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc4c(cc3Cl)OCO4)c(=O)n2[C@@H]1c1cc(OC)ccc1OC	ZINC000100745921	554464390	/nfs/dbraw/zinc/46/43/90/554464390.db2.gz	OPOQCRIBASWRHU-PNDZLGSGSA-N	0	0	542.997	3.198	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc4c(cc3Cl)OCO4)c(=O)n2[C@H]1c1cc(OC)ccc1OC	ZINC000100745925	554464422	/nfs/dbraw/zinc/46/44/22/554464422.db2.gz	OPOQCRIBASWRHU-NPNCKBELSA-N	0	0	542.997	3.198	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCCCC4)o3)c(=O)n2[C@@H]1c1ccc(OC)cc1OC	ZINC000100754221	554466675	/nfs/dbraw/zinc/46/66/75/554466675.db2.gz	NBWXBRKZDKNJHO-UQTDQPHJSA-N	0	0	537.638	3.399	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCCCC4)o3)c(=O)n2[C@H]1c1ccc(OC)cc1OC	ZINC000100754224	554466691	/nfs/dbraw/zinc/46/66/91/554466691.db2.gz	NBWXBRKZDKNJHO-YHHBSCGTSA-N	0	0	537.638	3.399	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Br)o3)c(=O)n2[C@@H]1c1ccc(OC)cc1OC	ZINC000100758786	554467411	/nfs/dbraw/zinc/46/74/11/554467411.db2.gz	YIOPETPUYALCTI-FVECTHPASA-N	0	0	533.400	3.171	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Br)o3)c(=O)n2[C@H]1c1ccc(OC)cc1OC	ZINC000100758791	554467433	/nfs/dbraw/zinc/46/74/33/554467433.db2.gz	YIOPETPUYALCTI-KDMTZKAISA-N	0	0	533.400	3.171	50	0		KGAARN
COc1ccc(Cl)cc1NC(=O)[C@@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1	ZINC000100758823	554467418	/nfs/dbraw/zinc/46/74/18/554467418.db2.gz	JNSKNDWQNLFHIO-QFIPXVFZSA-N	0	0	550.058	3.051	50	0		KGAARN
COc1ccc(Cl)cc1NC(=O)[C@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1	ZINC000100758825	554467469	/nfs/dbraw/zinc/46/74/69/554467469.db2.gz	JNSKNDWQNLFHIO-JOCHJYFZSA-N	0	0	550.058	3.051	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(Br)c3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2	ZINC000100767800	554470613	/nfs/dbraw/zinc/47/06/13/554470613.db2.gz	CZYPDOIYVLOYOZ-IDQDRXHYSA-N	0	0	527.396	3.290	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(Br)c3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2	ZINC000100767803	554470643	/nfs/dbraw/zinc/47/06/43/554470643.db2.gz	CZYPDOIYVLOYOZ-KEBMYNNESA-N	0	0	527.396	3.290	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCCCC4)o3)c(=O)n2[C@@H]1c1cc(OC)ccc1OC	ZINC000100793531	554473606	/nfs/dbraw/zinc/47/36/06/554473606.db2.gz	MTPDPHNFEVQQTL-UQTDQPHJSA-N	0	0	537.638	3.399	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCCCC4)o3)c(=O)n2[C@H]1c1cc(OC)ccc1OC	ZINC000100793532	554473589	/nfs/dbraw/zinc/47/35/89/554473589.db2.gz	MTPDPHNFEVQQTL-YHHBSCGTSA-N	0	0	537.638	3.399	50	0		KGAARN
O=C1[C@@H]2CC=C(Cl)C[C@@H]2C(=O)N1CN(CCOCc1ccccc1)CN1C(=O)[C@@H]2CC=C(Cl)C[C@@H]2C1=O	ZINC000100795027	554473574	/nfs/dbraw/zinc/47/35/74/554473574.db2.gz	QCXZTEQVOHGODQ-LUKWVAJMSA-N	0	0	546.451	3.456	50	0		KGAARN
O=C1[C@@H]2CC=C(Cl)C[C@H]2C(=O)N1CN(CCOCc1ccccc1)CN1C(=O)[C@@H]2CC=C(Cl)C[C@@H]2C1=O	ZINC000100795030	554473541	/nfs/dbraw/zinc/47/35/41/554473541.db2.gz	QCXZTEQVOHGODQ-ODAXIHTASA-N	0	0	546.451	3.456	50	0		KGAARN
O=C1[C@@H]2CC=C(Cl)C[C@@H]2C(=O)N1CN(CCOCc1ccccc1)CN1C(=O)[C@@H]2CC(Cl)=CC[C@@H]2C1=O	ZINC000100795032	554473547	/nfs/dbraw/zinc/47/35/47/554473547.db2.gz	QCXZTEQVOHGODQ-ZCQNZVIGSA-N	0	0	546.451	3.456	50	0		KGAARN
CCOC(=O)c1nn(-c2ccc(OC)cc2)c(C(=O)OCC)c1NC(=O)c1nn(CC)cc1Br	ZINC000100801365	554474478	/nfs/dbraw/zinc/47/44/78/554474478.db2.gz	HZQRJOVBDPXBOL-UHFFFAOYSA-N	0	0	534.367	3.466	50	0		KGAARN
CNC(=O)c1ccc(CN(C)C(=O)c2cc(I)cc(I)c2[O-])cc1	ZINC000100801618	554474542	/nfs/dbraw/zinc/47/45/42/554474542.db2.gz	GQVPUZAVBPEBGD-UHFFFAOYSA-N	0	0	550.134	3.233	50	0		KGAARN
COCCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3OC)c(=O)n2[C@@H]1c1ccc(OC(=O)c2ccco2)cc1	ZINC000100805487	554474884	/nfs/dbraw/zinc/47/48/84/554474884.db2.gz	AMVJMNNULBUUNO-OGRZUZBBSA-N	0	0	574.611	3.246	50	0		KGAARN
COCCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3OC)c(=O)n2[C@H]1c1ccc(OC(=O)c2ccco2)cc1	ZINC000100805489	554474898	/nfs/dbraw/zinc/47/48/98/554474898.db2.gz	AMVJMNNULBUUNO-ASSGYOTOSA-N	0	0	574.611	3.246	50	0		KGAARN
COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)Nc2nc(-c3ccc(OC)c(OC)c3)cs2)cc1	ZINC000100811650	554475199	/nfs/dbraw/zinc/47/51/99/554475199.db2.gz	PEOOKQRQZRENSK-UHFFFAOYSA-N	0	0	535.644	3.363	50	0		KGAARN
CCOC(=O)c1c2c(sc1NC(=O)CSc1nnc(CNC(=O)c3cc(OC)cc(OC)c3)n1C)CCC2	ZINC000100817250	554477405	/nfs/dbraw/zinc/47/74/05/554477405.db2.gz	WAOBJDOCJMWJDC-UHFFFAOYSA-N	0	0	559.670	3.220	50	0		KGAARN
CCOC(=O)c1sc(NC(=O)CSc2nnc(CNC(=O)Cc3ccccc3)n2C)c(C(=O)OCC)c1C	ZINC000100817258	554477464	/nfs/dbraw/zinc/47/74/64/554477464.db2.gz	GYARUCDMYVZBDB-UHFFFAOYSA-N	0	0	559.670	3.128	50	0		KGAARN
CCOC(=O)c1sc(NC(=O)[C@@H](C)Sc2nnc(CNC(=O)c3ccco3)n2C)c(C(=O)OCC)c1C	ZINC000100817355	554477732	/nfs/dbraw/zinc/47/77/32/554477732.db2.gz	QMISTMDVJAALRG-CYBMUJFWSA-N	0	0	549.631	3.181	50	0		KGAARN
CCOC(=O)c1sc(NC(=O)[C@H](C)Sc2nnc(CNC(=O)c3ccco3)n2C)c(C(=O)OCC)c1C	ZINC000100817357	554477965	/nfs/dbraw/zinc/47/79/65/554477965.db2.gz	QMISTMDVJAALRG-ZDUSSCGKSA-N	0	0	549.631	3.181	50	0		KGAARN
COC(=O)c1c2c(sc1NC(=O)c1ccc(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)cc1)CN(C(C)C)CC2	ZINC000100817783	554477941	/nfs/dbraw/zinc/47/79/41/554477941.db2.gz	DIQJKGKMBVKWCB-IRXDYDNUSA-N	0	0	535.688	3.351	50	0		KGAARN
COC(=O)c1c2c(sc1NC(=O)c1ccc(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)cc1)CN(C(C)C)CC2	ZINC000100817785	554478025	/nfs/dbraw/zinc/47/80/25/554478025.db2.gz	DIQJKGKMBVKWCB-IAGOWNOFSA-N	0	0	535.688	3.351	50	0		KGAARN
CCOC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)Nc3sc4c(c3C(=O)OC)CCN(C(C)C)C4)cc2)CC1	ZINC000100817795	554478096	/nfs/dbraw/zinc/47/80/96/554478096.db2.gz	LHLCRFMJFMTZRU-UHFFFAOYSA-N	0	0	578.713	3.016	50	0		KGAARN
CCOC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)/N=c3\sc4cccc(OCC)c4n3CC)cc2)CC1	ZINC000100820399	554479730	/nfs/dbraw/zinc/47/97/30/554479730.db2.gz	VQSRUYRSNRWJIT-LCUIJRPUSA-N	0	0	546.671	3.325	50	0		KGAARN
CCOc1cccc2s/c(=N\C(=O)c3ccc(S(=O)(=O)N(CCOC)CCOC)cc3)n(CC)c21	ZINC000100820407	554479660	/nfs/dbraw/zinc/47/96/60/554479660.db2.gz	DLYFBKWJRAYZTL-IZHYLOQSSA-N	0	0	521.661	3.146	50	0		KGAARN
COCCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3F)c(=O)n2[C@@H]1c1ccc(OC(=O)c2ccco2)cc1	ZINC000100820487	554479722	/nfs/dbraw/zinc/47/97/22/554479722.db2.gz	YRYWJOACBGPZTO-OWXSRONMSA-N	0	0	562.575	3.376	50	0		KGAARN
COCCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3F)c(=O)n2[C@H]1c1ccc(OC(=O)c2ccco2)cc1	ZINC000100820488	554479758	/nfs/dbraw/zinc/47/97/58/554479758.db2.gz	YRYWJOACBGPZTO-ZMIGGIFCSA-N	0	0	562.575	3.376	50	0		KGAARN
CCOC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)/N=c3\sc4cccc(F)c4n3CC)cc2)CC1	ZINC000100823752	554481772	/nfs/dbraw/zinc/48/17/72/554481772.db2.gz	OLUVYBPQQNFAJK-LVWGJNHUSA-N	0	0	520.608	3.066	50	0		KGAARN
COc1ccc(CCNC(=O)C(=O)N[C@@H](C)[C@@H](c2cccs2)N2CCN(c3ccccc3)CC2)cc1OC	ZINC000100831129	554482626	/nfs/dbraw/zinc/48/26/26/554482626.db2.gz	YKKLJSUXZMODEZ-IDISGSTGSA-N	0	0	536.698	3.492	50	0		KGAARN
COc1ccc(CCNC(=O)C(=O)N[C@H](C)[C@@H](c2cccs2)N2CCN(c3ccccc3)CC2)cc1OC	ZINC000100831130	554482475	/nfs/dbraw/zinc/48/24/75/554482475.db2.gz	YKKLJSUXZMODEZ-ZBLYBZFDSA-N	0	0	536.698	3.492	50	0		KGAARN
COc1ccc(CCNC(=O)C(=O)N[C@@H](C)[C@H](c2cccs2)N2CCN(c3ccccc3)CC2)cc1OC	ZINC000100831131	554482488	/nfs/dbraw/zinc/48/24/88/554482488.db2.gz	YKKLJSUXZMODEZ-KDYSTLNUSA-N	0	0	536.698	3.492	50	0		KGAARN
COc1ccc(CCNC(=O)C(=O)N[C@H](C)[C@H](c2cccs2)N2CCN(c3ccccc3)CC2)cc1OC	ZINC000100831132	554482650	/nfs/dbraw/zinc/48/26/50/554482650.db2.gz	YKKLJSUXZMODEZ-JIPXPUAJSA-N	0	0	536.698	3.492	50	0		KGAARN
O=C(CSc1nnc(CN2C(=O)c3cccc4cccc(c43)C2=O)n1-c1ccccc1)NCCCN1CCOCC1	ZINC000100832054	554482517	/nfs/dbraw/zinc/48/25/17/554482517.db2.gz	IMLCEKUZJARBMQ-UHFFFAOYSA-N	0	0	570.675	3.147	50	0		KGAARN
COC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)ccc3OC(C)=O)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1	ZINC000100834053	554483166	/nfs/dbraw/zinc/48/31/66/554483166.db2.gz	OQQFLBLVTOPIEY-NWKGEQBZSA-N	0	0	587.448	3.113	50	0		KGAARN
COC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)ccc3OC(C)=O)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1	ZINC000100834054	554483131	/nfs/dbraw/zinc/48/31/31/554483131.db2.gz	OQQFLBLVTOPIEY-YOKWNPFVSA-N	0	0	587.448	3.113	50	0		KGAARN
CCCN1c2ccccc2/C(=c2/sc3n(c2=O)[C@@H](c2ccc(OC(=O)c4ccco4)cc2)C(C(=O)OC)=C(C)N=3)C1=O	ZINC000100837060	554484039	/nfs/dbraw/zinc/48/40/39/554484039.db2.gz	BGVFXADAYYNHDF-ULWNEYHBSA-N	0	0	583.622	3.347	50	0		KGAARN
CCCN1c2ccccc2/C(=c2/sc3n(c2=O)[C@H](c2ccc(OC(=O)c4ccco4)cc2)C(C(=O)OC)=C(C)N=3)C1=O	ZINC000100837061	554484029	/nfs/dbraw/zinc/48/40/29/554484029.db2.gz	BGVFXADAYYNHDF-ZCCPQQFYSA-N	0	0	583.622	3.347	50	0		KGAARN
COCCOC(=O)C1=C(C)N=c2s/c(=C/c3cccs3)c(=O)n2[C@H]1c1ccc(OC(=O)c2ccco2)cc1	ZINC000100837585	554484385	/nfs/dbraw/zinc/48/43/85/554484385.db2.gz	YRNPJIMXDOIQKW-QFVBLGFASA-N	0	0	550.614	3.299	50	0		KGAARN
COCCOC(=O)C1=C(C)N=c2s/c(=C/c3cccs3)c(=O)n2[C@@H]1c1ccc(OC(=O)c2ccco2)cc1	ZINC000100837588	554484399	/nfs/dbraw/zinc/48/43/99/554484399.db2.gz	YRNPJIMXDOIQKW-JDCXBEBJSA-N	0	0	550.614	3.299	50	0		KGAARN
COc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4ccc(OC(C)=O)c(OC)c4)c(=O)n32)cc1	ZINC000100837874	554484594	/nfs/dbraw/zinc/48/45/94/554484594.db2.gz	GBSOUWJFSRQPPA-ZDGAQAAHSA-N	0	0	536.606	3.129	50	0		KGAARN
COc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4ccc(OC(C)=O)c(OC)c4)c(=O)n32)cc1	ZINC000100837875	554484560	/nfs/dbraw/zinc/48/45/60/554484560.db2.gz	GBSOUWJFSRQPPA-AQIZGWBQSA-N	0	0	536.606	3.129	50	0		KGAARN
COC(=O)C1=C(C)N=c2s/c(=C/c3c(F)cccc3Cl)c(=O)n2[C@H]1c1ccc(OC(C)=O)c(OC)c1	ZINC000100838250	554485112	/nfs/dbraw/zinc/48/51/12/554485112.db2.gz	JXNPOSCJTXICBM-WYWXSHKMSA-N	0	0	530.961	3.135	50	0		KGAARN
COC(=O)C1=C(C)N=c2s/c(=C/c3c(F)cccc3Cl)c(=O)n2[C@@H]1c1ccc(OC(C)=O)c(OC)c1	ZINC000100838252	554485144	/nfs/dbraw/zinc/48/51/44/554485144.db2.gz	JXNPOSCJTXICBM-JGZDWKDESA-N	0	0	530.961	3.135	50	0		KGAARN
CCCOc1ccc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(OC(C)=O)c(OC)c2)C(C(=O)OC)=C(C)N=3)cc1	ZINC000100838253	554485199	/nfs/dbraw/zinc/48/51/99/554485199.db2.gz	LPSAYIFQWAHYIG-ZDGAQAAHSA-N	0	0	536.606	3.131	50	0		KGAARN
CCCOc1ccc(/C=c2/sc3n(c2=O)[C@H](c2ccc(OC(C)=O)c(OC)c2)C(C(=O)OC)=C(C)N=3)cc1	ZINC000100838255	554485479	/nfs/dbraw/zinc/48/54/79/554485479.db2.gz	LPSAYIFQWAHYIG-AQIZGWBQSA-N	0	0	536.606	3.131	50	0		KGAARN
COC(=O)C1=C(C)N=c2s/c(=C3/c4ccccc4N(Cc4ccccc4)C3=O)c(=O)n2[C@H]1c1ccc(OC(C)=O)c(OC)c1	ZINC000100838326	554485727	/nfs/dbraw/zinc/48/57/27/554485727.db2.gz	HYRAGCJONMNXSM-SUUDBTLLSA-N	0	0	609.660	3.259	50	0		KGAARN
COC(=O)C1=C(C)N=c2s/c(=C3/c4ccccc4N(Cc4ccccc4)C3=O)c(=O)n2[C@@H]1c1ccc(OC(C)=O)c(OC)c1	ZINC000100838328	554485698	/nfs/dbraw/zinc/48/56/98/554485698.db2.gz	HYRAGCJONMNXSM-PGFYKJRFSA-N	0	0	609.660	3.259	50	0		KGAARN
COC(=O)C1=C(C)N=c2s/c(=C/c3cccc4ccccc34)c(=O)n2[C@H]1c1ccc(OC(C)=O)c(OC)c1	ZINC000100838386	554485965	/nfs/dbraw/zinc/48/59/65/554485965.db2.gz	NNXBFZFDHLTEMS-GVMLUORFSA-N	0	0	528.586	3.495	50	0		KGAARN
COC(=O)C1=C(C)N=c2s/c(=C/c3cccc4ccccc34)c(=O)n2[C@@H]1c1ccc(OC(C)=O)c(OC)c1	ZINC000100838388	554485980	/nfs/dbraw/zinc/48/59/80/554485980.db2.gz	NNXBFZFDHLTEMS-KMBIYUNPSA-N	0	0	528.586	3.495	50	0		KGAARN
CCCN1c2ccccc2/C(=c2/sc3n(c2=O)[C@@H](c2ccc(OC)cc2)C(C(=O)OC(C)C)=C(C)N=3)C1=O	ZINC000100838692	554486582	/nfs/dbraw/zinc/48/65/82/554486582.db2.gz	LGEZRCIJZUAOPJ-MYXKAAJQSA-N	0	0	531.634	3.322	50	0		KGAARN
CCCN1c2ccccc2/C(=c2/sc3n(c2=O)[C@H](c2ccc(OC)cc2)C(C(=O)OC(C)C)=C(C)N=3)C1=O	ZINC000100838694	554486576	/nfs/dbraw/zinc/48/65/76/554486576.db2.gz	LGEZRCIJZUAOPJ-QQYUXEJHSA-N	0	0	531.634	3.322	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3Cl)c(=O)n2[C@@H]1c1ccc(OC(C)=O)c(OC)c1	ZINC000100839024	554487059	/nfs/dbraw/zinc/48/70/59/554487059.db2.gz	NYQIUVYFJBUTBB-FJWZAKCXSA-N	0	0	526.998	3.386	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3Cl)c(=O)n2[C@H]1c1ccc(OC(C)=O)c(OC)c1	ZINC000100839026	554487061	/nfs/dbraw/zinc/48/70/61/554487061.db2.gz	NYQIUVYFJBUTBB-RQLGBQGVSA-N	0	0	526.998	3.386	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(Cl)c3)c(=O)n2[C@@H]1c1ccc(OC(C)=O)c(OC)c1	ZINC000100839034	554487064	/nfs/dbraw/zinc/48/70/64/554487064.db2.gz	LBTDBHUUZYSXKG-YOKWNPFVSA-N	0	0	526.998	3.386	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(Cl)c3)c(=O)n2[C@H]1c1ccc(OC(C)=O)c(OC)c1	ZINC000100839037	554487063	/nfs/dbraw/zinc/48/70/63/554487063.db2.gz	LBTDBHUUZYSXKG-NWKGEQBZSA-N	0	0	526.998	3.386	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(Br)c3)c(=O)n2[C@@H]1c1ccc(OC(C)=O)c(OC)c1	ZINC000100839280	554487230	/nfs/dbraw/zinc/48/72/30/554487230.db2.gz	JWIVULGESAIHHP-YOKWNPFVSA-N	0	0	571.449	3.495	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(Br)c3)c(=O)n2[C@H]1c1ccc(OC(C)=O)c(OC)c1	ZINC000100839282	554487249	/nfs/dbraw/zinc/48/72/49/554487249.db2.gz	JWIVULGESAIHHP-NWKGEQBZSA-N	0	0	571.449	3.495	50	0		KGAARN
COC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Br)cc3)c(=O)n2[C@H]1c1ccc(OC(C)=O)c(OC)c1	ZINC000100839439	554487374	/nfs/dbraw/zinc/48/73/74/554487374.db2.gz	LROMXWFTUFAANB-WYWXSHKMSA-N	0	0	557.422	3.105	50	0		KGAARN
COC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Br)cc3)c(=O)n2[C@@H]1c1ccc(OC(C)=O)c(OC)c1	ZINC000100839440	554487415	/nfs/dbraw/zinc/48/74/15/554487415.db2.gz	LROMXWFTUFAANB-JGZDWKDESA-N	0	0	557.422	3.105	50	0		KGAARN
COc1ccc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(OC(C)=O)c(OC)c2)C(C(=O)OCC(C)C)=C(C)N=3)cc1	ZINC000100840063	554488190	/nfs/dbraw/zinc/48/81/90/554488190.db2.gz	CIMIYGCJQFHDAO-LNXFQTKESA-N	0	0	550.633	3.377	50	0		KGAARN
COc1ccc(/C=c2/sc3n(c2=O)[C@H](c2ccc(OC(C)=O)c(OC)c2)C(C(=O)OCC(C)C)=C(C)N=3)cc1	ZINC000100840065	554488179	/nfs/dbraw/zinc/48/81/79/554488179.db2.gz	CIMIYGCJQFHDAO-DJTCXORXSA-N	0	0	550.633	3.377	50	0		KGAARN
COc1ccc(OC)c(-n2c(CNC(=O)c3cc(OC)c(OC)c(OC)c3)nnc2SCC(=O)Nc2nccs2)c1	ZINC000100840304	554488516	/nfs/dbraw/zinc/48/85/16/554488516.db2.gz	GSDYXOPNBJNMMA-UHFFFAOYSA-N	0	0	600.679	3.428	50	0		KGAARN
CCOc1ccc(-n2c(CNC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)nnc2SCC(=O)Nc2nccs2)cc1	ZINC000100840313	554488510	/nfs/dbraw/zinc/48/85/10/554488510.db2.gz	WBZOGUJBBHAZKA-UHFFFAOYSA-N	0	0	601.736	3.034	50	0		KGAARN
COc1ccc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(OC(C)=O)c(OC)c2)C(C(=O)OCC(C)C)=C(C)N=3)cc1OC	ZINC000100840336	554488463	/nfs/dbraw/zinc/48/84/63/554488463.db2.gz	FWBBUUFVQBOPIK-ZWTBYVTRSA-N	0	0	580.659	3.386	50	0		KGAARN
COc1ccc(/C=c2/sc3n(c2=O)[C@H](c2ccc(OC(C)=O)c(OC)c2)C(C(=O)OCC(C)C)=C(C)N=3)cc1OC	ZINC000100840337	554488454	/nfs/dbraw/zinc/48/84/54/554488454.db2.gz	FWBBUUFVQBOPIK-CCVBWGSMSA-N	0	0	580.659	3.386	50	0		KGAARN
COc1ccc(C(=O)NCc2nnc(SCC(=O)Nc3nccs3)n2-c2ccccc2OC)cc1OC	ZINC000100840347	554488525	/nfs/dbraw/zinc/48/85/25/554488525.db2.gz	VNHRYGYSBNQDRT-UHFFFAOYSA-N	0	0	540.627	3.410	50	0		KGAARN
CCN(CC)S(=O)(=O)c1ccc(C(=O)NCc2nnc(SCC(=O)Nc3nccs3)n2-c2ccccc2OC)cc1	ZINC000100840377	554488760	/nfs/dbraw/zinc/48/87/60/554488760.db2.gz	KDSNXTFBNWDOLI-UHFFFAOYSA-N	0	0	615.763	3.424	50	0		KGAARN
COc1ccc(CC(=O)NCc2nnc(SCC(=O)Nc3nccs3)n2-c2ccccc2OC)cc1	ZINC000100840381	554488766	/nfs/dbraw/zinc/48/87/66/554488766.db2.gz	YXAJNCQEMRDACR-UHFFFAOYSA-N	0	0	524.628	3.331	50	0		KGAARN
COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)/N=c2\sc3c(ccc4ccccc34)n2C)cc1	ZINC000100842151	554489800	/nfs/dbraw/zinc/48/98/00/554489800.db2.gz	FOEIPFMFSOURSB-QPLCGJKRSA-N	0	0	513.641	3.418	50	0		KGAARN
CCOC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)/N=c3\sc4cc(Cl)ccc4n3C)cc2)CC1	ZINC000100843310	554490344	/nfs/dbraw/zinc/49/03/44/554490344.db2.gz	LYCIPIUOKSAUJS-FLFQWRMESA-N	0	0	523.036	3.097	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\C3=Cc4ccccc4O[C@H]3C)c(=O)n2[C@@H]1c1ccc(C(=O)OC)cc1	ZINC000100845607	554490913	/nfs/dbraw/zinc/49/09/13/554490913.db2.gz	UTZIPGJRTDJVNU-DKKRCLKQSA-N	0	0	530.602	3.401	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\C3=Cc4ccccc4O[C@@H]3C)c(=O)n2[C@H]1c1ccc(C(=O)OC)cc1	ZINC000100845608	554490916	/nfs/dbraw/zinc/49/09/16/554490916.db2.gz	UTZIPGJRTDJVNU-WUURPXJVSA-N	0	0	530.602	3.401	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\C3=Cc4ccccc4O[C@H]3C)c(=O)n2[C@H]1c1ccc(C(=O)OC)cc1	ZINC000100845612	554490847	/nfs/dbraw/zinc/49/08/47/554490847.db2.gz	UTZIPGJRTDJVNU-FMWCGOQISA-N	0	0	530.602	3.401	50	0		KGAARN
O=c1/c(=C/c2cccc(Br)c2)sc2n1CN(c1ccc(I)cc1)CN=2	ZINC000100850494	554492520	/nfs/dbraw/zinc/49/25/20/554492520.db2.gz	DTEVFZVWVTZKCH-SXGWCWSVSA-N	0	0	526.197	3.161	50	0		KGAARN
CC(=O)Oc1ccc(N2C(=O)C3=C(C(O)n4nnc5ccccc54)N4c5ccccc5C=C[C@H]4[C@@H]3C2=O)cc1	ZINC000100852474	554492819	/nfs/dbraw/zinc/49/28/19/554492819.db2.gz	HBMOWCNXOACRIR-ASDGIDEWSA-N	0	0	519.517	3.087	50	0		KGAARN
O=C(CCCCn1c(=O)c2ccccc2n(CC(=O)c2ccc(F)cc2)c1=O)NCc1ccc2c(c1)OCO2	ZINC000100852565	554492743	/nfs/dbraw/zinc/49/27/43/554492743.db2.gz	SBLALQXVENYKFF-UHFFFAOYSA-N	0	0	531.540	3.401	50	0		KGAARN
O=C(CCn1c(=O)c2ccccc2n(CC(=O)Nc2ccc(Br)cc2F)c1=O)NCc1ccco1	ZINC000100852583	554492816	/nfs/dbraw/zinc/49/28/16/554492816.db2.gz	VQPWKIUBODLMGD-UHFFFAOYSA-N	0	0	543.349	3.003	50	0		KGAARN
O=C(CCCCn1c(=O)c2ccccc2n(Cc2cc(=O)n3ccccc3n2)c1=O)NCCc1ccc(Cl)cc1	ZINC000100852590	554492758	/nfs/dbraw/zinc/49/27/58/554492758.db2.gz	DQXFZAYDQCYQNZ-UHFFFAOYSA-N	0	0	558.038	3.402	50	0		KGAARN
CCOc1ccc(NC(=O)Cn2c3ccccc3c(=O)n(CCCC(=O)NCc3ccccc3OC)c2=O)cc1	ZINC000100852604	554492812	/nfs/dbraw/zinc/49/28/12/554492812.db2.gz	QUIGQMYIOGZHCJ-UHFFFAOYSA-N	0	0	544.608	3.306	50	0		KGAARN
CCOC(=O)c1ccccc1NC(=O)Cn1c2ccccc2c(=O)n(CCCC(=O)NCc2ccccc2OC)c1=O	ZINC000100852614	554492809	/nfs/dbraw/zinc/49/28/09/554492809.db2.gz	GUVKQNBAPILYGR-UHFFFAOYSA-N	0	0	572.618	3.084	50	0		KGAARN
COc1ccc(CCNC(=O)Cn2c3ccccc3c(=O)n(CCCC(=O)NCCc3ccc(Cl)cc3)c2=O)cc1OC	ZINC000100852630	554492803	/nfs/dbraw/zinc/49/28/03/554492803.db2.gz	NSLKXOBLUYUILY-UHFFFAOYSA-N	0	0	607.107	3.332	50	0		KGAARN
CC1=C(C(=O)OCc2ccccc2)[C@H](c2cccs2)n2c(=O)/c(=C3\c4ccccc4N(C)C3=O)sc2=N1	ZINC000100857936	554493937	/nfs/dbraw/zinc/49/39/37/554493937.db2.gz	JJFFNJXSLPPGTH-FEYWKWKCSA-N	0	0	527.627	3.387	50	0		KGAARN
CC1=C(C(=O)OCc2ccccc2)[C@@H](c2cccs2)n2c(=O)/c(=C3\c4ccccc4N(C)C3=O)sc2=N1	ZINC000100857937	554493997	/nfs/dbraw/zinc/49/39/97/554493997.db2.gz	JJFFNJXSLPPGTH-UGUGFTGJSA-N	0	0	527.627	3.387	50	0		KGAARN
CC(=O)c1ccc(N2C(=O)C3=C(C(O)n4nnc5ccccc54)N4c5ccccc5C=C[C@H]4[C@@H]3C2=O)cc1	ZINC000100869028	554497476	/nfs/dbraw/zinc/49/74/76/554497476.db2.gz	XPHRLBUFNSRYCN-ASDGIDEWSA-N	0	0	503.518	3.364	50	0		KGAARN
COCCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(Br)c3)c(=O)n2[C@H]1c1cccs1	ZINC000100871604	554499626	/nfs/dbraw/zinc/49/96/26/554499626.db2.gz	JAQLOQMMNQHSNF-WPNIOXTASA-N	0	0	519.442	3.249	50	0		KGAARN
COCCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(Br)c3)c(=O)n2[C@@H]1c1cccs1	ZINC000100871605	554499609	/nfs/dbraw/zinc/49/96/09/554499609.db2.gz	JAQLOQMMNQHSNF-XYSGSMRZSA-N	0	0	519.442	3.249	50	0		KGAARN
COCCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Br)cc3)c(=O)n2[C@H]1c1cccs1	ZINC000100871716	554499984	/nfs/dbraw/zinc/49/99/84/554499984.db2.gz	JDWWGZBXZLHCHW-GTVARFKMSA-N	0	0	519.442	3.249	50	0		KGAARN
COCCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Br)cc3)c(=O)n2[C@@H]1c1cccs1	ZINC000100871718	554499992	/nfs/dbraw/zinc/49/99/92/554499992.db2.gz	JDWWGZBXZLHCHW-LYPXWFNGSA-N	0	0	519.442	3.249	50	0		KGAARN
CCCCN1c2ccccc2/C(=c2/sc3n(c2=O)[C@@H](c2cccs2)C(C(=O)OCCOC)=C(C)N=3)C1=O	ZINC000100872139	554500559	/nfs/dbraw/zinc/50/05/59/554500559.db2.gz	VUFWRYDOQAQWPL-VFJWVMJUSA-N	0	0	537.663	3.003	50	0		KGAARN
CCCCN1c2ccccc2/C(=c2/sc3n(c2=O)[C@H](c2cccs2)C(C(=O)OCCOC)=C(C)N=3)C1=O	ZINC000100872140	554500553	/nfs/dbraw/zinc/50/05/53/554500553.db2.gz	VUFWRYDOQAQWPL-RKKARLDVSA-N	0	0	537.663	3.003	50	0		KGAARN
CCOC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)/N=c3\sc4cc(Cl)ccc4n3CCOC)cc2)CC1	ZINC000100872497	554501434	/nfs/dbraw/zinc/50/14/34/554501434.db2.gz	UZCMYDSCJTYRRB-RWEWTDSWSA-N	0	0	567.089	3.207	50	0		KGAARN
COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)/N=c2\sc3cc(Br)ccc3n2CCOC)cc1	ZINC000100872600	554501290	/nfs/dbraw/zinc/50/12/90/554501290.db2.gz	HOYHAOKONWPIRF-BZZOAKBMSA-N	0	0	586.530	3.136	50	0		KGAARN
COCCn1c2ccc(S(C)(=O)=O)cc2s/c1=N\C(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1	ZINC000100872795	554501765	/nfs/dbraw/zinc/50/17/65/554501765.db2.gz	SNIBNFHAZJOUSH-IZHYLOQSSA-N	0	0	551.712	3.059	50	0		KGAARN
COCCn1c2ccc(S(C)(=O)=O)cc2s/c1=N\C(=O)c1ccc(S(=O)(=O)N(C)Cc2ccccc2)cc1	ZINC000100872857	554501713	/nfs/dbraw/zinc/50/17/13/554501713.db2.gz	QHSIFSXLUKBINS-RQZHXJHFSA-N	0	0	573.718	3.315	50	0		KGAARN
COCCn1c2ccc(S(N)(=O)=O)cc2s/c1=N\C(=O)c1ccc(S(=O)(=O)N(CC(C)C)CC(C)C)cc1	ZINC000100872947	554501929	/nfs/dbraw/zinc/50/19/29/554501929.db2.gz	PPFMWKFMJAKGKT-RFBIWTDZSA-N	0	0	582.770	3.040	50	0		KGAARN
CCCCN(CCCC)S(=O)(=O)c1ccc(C(=O)/N=c2\sc3cc(S(N)(=O)=O)ccc3n2CCOC)cc1	ZINC000100873035	554502032	/nfs/dbraw/zinc/50/20/32/554502032.db2.gz	NHIRPWYUQVXYOD-RFBIWTDZSA-N	0	0	582.770	3.329	50	0		KGAARN
CCN(CC)S(=O)(=O)c1ccc(C(=O)/N=c2\sc3cc(NC(C)=O)ccc3n2CCOC)cc1	ZINC000100873054	554501962	/nfs/dbraw/zinc/50/19/62/554501962.db2.gz	ZOADIXJGLPGYGM-BZZOAKBMSA-N	0	0	504.634	3.079	50	0		KGAARN
COCCn1c2ccc(NC(C)=O)cc2s/c1=N\C(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1	ZINC000100873077	554501874	/nfs/dbraw/zinc/50/18/74/554501874.db2.gz	CSNVLUULKOBPHY-LCUIJRPUSA-N	0	0	516.645	3.223	50	0		KGAARN
CCCCN(C)S(=O)(=O)c1ccc(C(=O)/N=c2\sc3cc(NC(C)=O)ccc3n2CCOC)cc1	ZINC000100873118	554502290	/nfs/dbraw/zinc/50/22/90/554502290.db2.gz	OCEOFTBNGNJKQG-LCUIJRPUSA-N	0	0	518.661	3.469	50	0		KGAARN
CCOc1ccc2c(c1)s/c(=N\C(=O)c1ccc(S(=O)(=O)N3C[C@@H](C)O[C@@H](C)C3)cc1)n2CCOC	ZINC000100873226	554502260	/nfs/dbraw/zinc/50/22/60/554502260.db2.gz	SZVVLYDKIYZVCV-BVKCHYSWSA-N	0	0	533.672	3.287	50	0		KGAARN
CCOc1ccc2c(c1)s/c(=N\C(=O)c1ccc(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)cc1)n2CCOC	ZINC000100873228	554502343	/nfs/dbraw/zinc/50/23/43/554502343.db2.gz	SZVVLYDKIYZVCV-SDORMZKBSA-N	0	0	533.672	3.287	50	0		KGAARN
CCOc1ccc2c(c1)s/c(=N\C(=O)c1ccc(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)cc1)n2CCOC	ZINC000100873229	554502329	/nfs/dbraw/zinc/50/23/29/554502329.db2.gz	SZVVLYDKIYZVCV-GUBHCJHISA-N	0	0	533.672	3.287	50	0		KGAARN
CCOCCn1c2ccc(C)cc2s/c1=N\C(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)OCC)CC2)cc1	ZINC000100873278	554502202	/nfs/dbraw/zinc/50/22/02/554502202.db2.gz	AXZTWLLMJIHSSG-RFBIWTDZSA-N	0	0	560.698	3.252	50	0		KGAARN
CCOCCn1c2ccccc2s/c1=N\C(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1	ZINC000100873319	554502562	/nfs/dbraw/zinc/50/25/62/554502562.db2.gz	IDZCJQXHQWIEHN-WVSWMXMHSA-N	0	0	503.646	3.278	50	0		KGAARN
CCOCCn1c2ccccc2s/c1=N\C(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)cc1	ZINC000100873321	554502504	/nfs/dbraw/zinc/50/25/04/554502504.db2.gz	IDZCJQXHQWIEHN-GDMRICFJSA-N	0	0	503.646	3.278	50	0		KGAARN
CCOCCn1c2ccc(F)cc2s/c1=N\C(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1	ZINC000100873492	554502449	/nfs/dbraw/zinc/50/24/49/554502449.db2.gz	PQBZPGIZROKTKC-PBPKIEIKSA-N	0	0	521.636	3.417	50	0		KGAARN
CCOCCn1c2ccc(F)cc2s/c1=N\C(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)cc1	ZINC000100873496	554502551	/nfs/dbraw/zinc/50/25/51/554502551.db2.gz	PQBZPGIZROKTKC-OONGNWCQSA-N	0	0	521.636	3.417	50	0		KGAARN
CCOCCn1c2ccc(F)cc2s/c1=N\C(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)OCC)CC2)cc1	ZINC000100873524	554502555	/nfs/dbraw/zinc/50/25/55/554502555.db2.gz	ZDIHTKLFXPFYPL-PNHLSOANSA-N	0	0	564.661	3.082	50	0		KGAARN
CCOCCn1c2ccc(S(N)(=O)=O)cc2s/c1=N\C(=O)c1ccc(C(=O)c2ccccc2)cc1	ZINC000100873605	554502516	/nfs/dbraw/zinc/50/25/16/554502516.db2.gz	XZWFZDPLFKCUBM-RFBIWTDZSA-N	0	0	509.609	3.359	50	0		KGAARN
CCOCCn1c2ccc(S(N)(=O)=O)cc2s/c1=N\C(=O)c1ccc(S(=O)(=O)N(CC(C)C)CC(C)C)cc1	ZINC000100873628	554502786	/nfs/dbraw/zinc/50/27/86/554502786.db2.gz	RVCKCKQHLXQMIW-SGEDCAFJSA-N	0	0	596.797	3.431	50	0		KGAARN
COC(=O)Cn1c2ccc(C)cc2s/c1=N\C(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1	ZINC000100876037	554503775	/nfs/dbraw/zinc/50/37/75/554503775.db2.gz	AJYGUQHPIILRCL-IZHYLOQSSA-N	0	0	501.630	3.490	50	0		KGAARN
COC(=O)Cn1c2ccc(C)cc2s/c1=N\C(=O)c1ccc(S(=O)(=O)N2CCC(C)CC2)cc1	ZINC000100876083	554504101	/nfs/dbraw/zinc/50/41/01/554504101.db2.gz	NFOSQVWLTKBGHG-IZHYLOQSSA-N	0	0	501.630	3.346	50	0		KGAARN
COC(=O)Cn1c2ccc(C)cc2s/c1=N\C(=O)c1ccc(S(=O)(=O)N2CCC[C@H](C)C2)cc1	ZINC000100876085	554504090	/nfs/dbraw/zinc/50/40/90/554504090.db2.gz	KYVQACCGRSUGOQ-QXXHGPKRSA-N	0	0	501.630	3.346	50	0		KGAARN
COC(=O)Cn1c2ccc(C)cc2s/c1=N\C(=O)c1ccc(S(=O)(=O)N2CCCC[C@@H]2C)cc1	ZINC000100876089	554504095	/nfs/dbraw/zinc/50/40/95/554504095.db2.gz	KZIPDIUJDOALFY-QXXHGPKRSA-N	0	0	501.630	3.488	50	0		KGAARN
CCOC(=O)c1ccc2c(c1)s/c(=N\C(=O)c1ccc(S(=O)(=O)N3CCCCCC3)cc1)n2CC(=O)OC	ZINC000100876156	554504050	/nfs/dbraw/zinc/50/40/50/554504050.db2.gz	KMKDHACWENTOLL-RQZHXJHFSA-N	0	0	559.666	3.358	50	0		KGAARN
CCOC(=O)c1ccc2c(c1)s/c(=N\C(=O)c1ccc(S(=O)(=O)N3C[C@H](C)C[C@H](C)C3)cc1)n2CC(=O)OC	ZINC000100876175	554504108	/nfs/dbraw/zinc/50/41/08/554504108.db2.gz	LNFVCRZKGZSGOY-IDGBXIGWSA-N	0	0	573.693	3.460	50	0		KGAARN
CCOC(=O)c1ccc2c(c1)s/c(=N\C(=O)c1ccc(S(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)cc1)n2CC(=O)OC	ZINC000100876177	554503954	/nfs/dbraw/zinc/50/39/54/554503954.db2.gz	LNFVCRZKGZSGOY-QELNMHQDSA-N	0	0	573.693	3.460	50	0		KGAARN
CCOC(=O)c1ccc2c(c1)s/c(=N\C(=O)c1ccc(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)cc1)n2CC(=O)OC	ZINC000100876181	554504083	/nfs/dbraw/zinc/50/40/83/554504083.db2.gz	LNFVCRZKGZSGOY-FXBJPLKTSA-N	0	0	573.693	3.460	50	0		KGAARN
COC(=O)Cn1c2ccccc2s/c1=N\C(=O)c1ccc(S(=O)(=O)N(C)Cc2ccccc2)cc1	ZINC000100876337	554504067	/nfs/dbraw/zinc/50/40/67/554504067.db2.gz	OJCRSXRASGAICG-QPLCGJKRSA-N	0	0	509.609	3.438	50	0		KGAARN
COC(=O)Cn1c2ccc(F)cc2s/c1=N\C(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1	ZINC000100876439	554504478	/nfs/dbraw/zinc/50/44/78/554504478.db2.gz	GEVOZHIOGIHSPC-BZZOAKBMSA-N	0	0	505.593	3.321	50	0		KGAARN
COC(=O)Cn1c2ccc(F)cc2s/c1=N\C(=O)c1ccc(S(=O)(=O)N2C[C@H](C)C[C@H](C)C2)cc1	ZINC000100876456	554504410	/nfs/dbraw/zinc/50/44/10/554504410.db2.gz	CUGQIUBGVHTALU-VCYIBEIOSA-N	0	0	519.620	3.423	50	0		KGAARN
COC(=O)Cn1c2ccc(F)cc2s/c1=N\C(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)cc1	ZINC000100876457	554504433	/nfs/dbraw/zinc/50/44/33/554504433.db2.gz	CUGQIUBGVHTALU-VNIBXFEXSA-N	0	0	519.620	3.423	50	0		KGAARN
COC(=O)Cn1c2ccc(F)cc2s/c1=N\C(=O)c1ccc(S(=O)(=O)N2CCC(C)CC2)cc1	ZINC000100876474	554504430	/nfs/dbraw/zinc/50/44/30/554504430.db2.gz	ZTVKMONDCKONGU-BZZOAKBMSA-N	0	0	505.593	3.177	50	0		KGAARN
COC(=O)Cn1c2ccc(F)cc2s/c1=N\C(=O)c1ccc(S(=O)(=O)N2CCC[C@@H](C)C2)cc1	ZINC000100876477	554504398	/nfs/dbraw/zinc/50/43/98/554504398.db2.gz	KOBDGGGUAXAESG-OIKHPULZSA-N	0	0	505.593	3.177	50	0		KGAARN
COC(=O)Cn1c2ccc(F)cc2s/c1=N\C(=O)c1ccc(S(=O)(=O)N2CCC[C@H](C)C2)cc1	ZINC000100876479	554504471	/nfs/dbraw/zinc/50/44/71/554504471.db2.gz	KOBDGGGUAXAESG-TXKIEDGSSA-N	0	0	505.593	3.177	50	0		KGAARN
COC(=O)Cn1c2ccc(NC(C)=O)cc2s/c1=N\C(=O)c1ccc(S(=O)(=O)N2CCCC[C@H]2C)cc1	ZINC000100876917	554505009	/nfs/dbraw/zinc/50/50/09/554505009.db2.gz	MYIUDGMQDFPYHL-NPZTXGTLSA-N	0	0	544.655	3.138	50	0		KGAARN
COC(=O)Cn1c2ccc(NC(C)=O)cc2s/c1=N\C(=O)c1ccc(S(=O)(=O)N2CCCC[C@@H]2C)cc1	ZINC000100876920	554505014	/nfs/dbraw/zinc/50/50/14/554505014.db2.gz	MYIUDGMQDFPYHL-QMWYMTRMSA-N	0	0	544.655	3.138	50	0		KGAARN
COC(=O)Cn1c2ccc(OC)cc2s/c1=N\C(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1	ZINC000100877004	554504954	/nfs/dbraw/zinc/50/49/54/554504954.db2.gz	JOFNYNKJIUWBME-IZHYLOQSSA-N	0	0	517.629	3.190	50	0		KGAARN
COC(=O)Cn1c2ccc(OC)cc2s/c1=N\C(=O)c1ccc(S(=O)(=O)N2C[C@H](C)C[C@H](C)C2)cc1	ZINC000100877040	554504944	/nfs/dbraw/zinc/50/49/44/554504944.db2.gz	OGOFSRBCWOEDFK-PZLTZHMVSA-N	0	0	531.656	3.292	50	0		KGAARN
COC(=O)Cn1c2ccc(OC)cc2s/c1=N\C(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)cc1	ZINC000100877044	554504972	/nfs/dbraw/zinc/50/49/72/554504972.db2.gz	OGOFSRBCWOEDFK-KZIUFBKBSA-N	0	0	531.656	3.292	50	0		KGAARN
COC(=O)Cn1c2ccc(OC)cc2s/c1=N\C(=O)c1ccc(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)cc1	ZINC000100877046	554505034	/nfs/dbraw/zinc/50/50/34/554505034.db2.gz	OGOFSRBCWOEDFK-AUDDJOTCSA-N	0	0	531.656	3.292	50	0		KGAARN
COC(=O)Cn1c2ccc(OC)cc2s/c1=N\C(=O)c1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1	ZINC000100877058	554505005	/nfs/dbraw/zinc/50/50/05/554505005.db2.gz	JRVBSVVWLCMZAI-DQSJHHFOSA-N	0	0	551.646	3.373	50	0		KGAARN
COC(=O)Cn1c2ccc(OC)cc2s/c1=N\C(=O)c1ccc(S(=O)(=O)N2CCC(C)CC2)cc1	ZINC000100877065	554504922	/nfs/dbraw/zinc/50/49/22/554504922.db2.gz	YXOPCHIDXVVCJK-IZHYLOQSSA-N	0	0	517.629	3.046	50	0		KGAARN
COC(=O)Cn1c2ccc(OC)cc2s/c1=N\C(=O)c1ccc(S(=O)(=O)N2CCC[C@@H](C)C2)cc1	ZINC000100877068	554504930	/nfs/dbraw/zinc/50/49/30/554504930.db2.gz	JQFQVOKTPCVANJ-JPUQDIAOSA-N	0	0	517.629	3.046	50	0		KGAARN
COC(=O)Cn1c2ccc(OC)cc2s/c1=N\C(=O)c1ccc(S(=O)(=O)N2CCC[C@H](C)C2)cc1	ZINC000100877070	554504992	/nfs/dbraw/zinc/50/49/92/554504992.db2.gz	JQFQVOKTPCVANJ-BDLILHNCSA-N	0	0	517.629	3.046	50	0		KGAARN
COC(=O)Cn1c2ccc(OC)cc2s/c1=N\C(=O)c1ccc(S(=O)(=O)N2CCCC[C@H]2C)cc1	ZINC000100877073	554505026	/nfs/dbraw/zinc/50/50/26/554505026.db2.gz	GWFSDIZVHOQSCK-JPUQDIAOSA-N	0	0	517.629	3.189	50	0		KGAARN
COC(=O)Cn1c2ccc(OC)cc2s/c1=N\C(=O)c1ccc(S(=O)(=O)N2CCCC[C@@H]2C)cc1	ZINC000100877076	554505024	/nfs/dbraw/zinc/50/50/24/554505024.db2.gz	GWFSDIZVHOQSCK-BDLILHNCSA-N	0	0	517.629	3.189	50	0		KGAARN
CCCCN(C)S(=O)(=O)c1ccc(C(=O)/N=c2\sc3cc(OC)ccc3n2CC(=O)OC)cc1	ZINC000100877109	554504995	/nfs/dbraw/zinc/50/49/95/554504995.db2.gz	GQMDKPMUDMUQAD-VHXPQNKSSA-N	0	0	505.618	3.046	50	0		KGAARN
CCCCN(CC)S(=O)(=O)c1ccc(C(=O)/N=c2\sc3cc(OC)ccc3n2CC(=O)OC)cc1	ZINC000100877113	554504948	/nfs/dbraw/zinc/50/49/48/554504948.db2.gz	WDQYWZRVHKQLOY-IZHYLOQSSA-N	0	0	519.645	3.436	50	0		KGAARN
COC(=O)Cn1c2ccc(OC)cc2s/c1=N\C(=O)c1ccc(S(=O)(=O)N(C)Cc2ccccc2)cc1	ZINC000100877117	554504970	/nfs/dbraw/zinc/50/49/70/554504970.db2.gz	OMZMFITYMHPDDN-RQZHXJHFSA-N	0	0	539.635	3.446	50	0		KGAARN
CCOC(=O)Cn1c2ccc(C)cc2s/c1=N\C(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1	ZINC000100877164	554505320	/nfs/dbraw/zinc/50/53/20/554505320.db2.gz	ZIQORVSHWZZNSW-IZHYLOQSSA-N	0	0	501.630	3.490	50	0		KGAARN
CCOC(=O)Cn1c2ccc(C)cc2s/c1=N\C(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1	ZINC000100877185	554505230	/nfs/dbraw/zinc/50/52/30/554505230.db2.gz	UYGWWMDWQIIROO-BVKCHYSWSA-N	0	0	531.656	3.113	50	0		KGAARN
CCOC(=O)Cn1c2ccc(C)cc2s/c1=N\C(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)cc1	ZINC000100877188	554505298	/nfs/dbraw/zinc/50/52/98/554505298.db2.gz	UYGWWMDWQIIROO-SDORMZKBSA-N	0	0	531.656	3.113	50	0		KGAARN
CCOC(=O)Cn1c2ccc(C)cc2s/c1=N\C(=O)c1ccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)cc1	ZINC000100877190	554505306	/nfs/dbraw/zinc/50/53/06/554505306.db2.gz	UYGWWMDWQIIROO-GUBHCJHISA-N	0	0	531.656	3.113	50	0		KGAARN
CCCCCOc1cccc(C(=O)/N=c2\sc3cc(S(N)(=O)=O)ccc3n2CC(=O)OCC)c1	ZINC000100877588	554505519	/nfs/dbraw/zinc/50/55/19/554505519.db2.gz	HSBYBXKORCOTNG-BZZOAKBMSA-N	0	0	505.618	3.223	50	0		KGAARN
CCCCCOc1ccc(C(=O)/N=c2\sc3cc(S(N)(=O)=O)ccc3n2CC(=O)OCC)cc1	ZINC000100877596	554505557	/nfs/dbraw/zinc/50/55/57/554505557.db2.gz	TUFGNPLXKYIWOB-BZZOAKBMSA-N	0	0	505.618	3.223	50	0		KGAARN
CCOC(=O)Cn1c2ccc(S(N)(=O)=O)cc2s/c1=N\C(=O)c1ccc(Cc2ccccc2)cc1	ZINC000100877600	554505532	/nfs/dbraw/zinc/50/55/32/554505532.db2.gz	JWHHYOKTLQAOBU-RFBIWTDZSA-N	0	0	509.609	3.245	50	0		KGAARN
CCOC(=O)Cn1c2ccc(S(N)(=O)=O)cc2s/c1=N\C(=O)c1cccc(Oc2ccccc2)c1	ZINC000100877646	554505562	/nfs/dbraw/zinc/50/55/62/554505562.db2.gz	SYMCCIIGIFJZCF-LCUIJRPUSA-N	0	0	511.581	3.447	50	0		KGAARN
CCOC(=O)Cn1c2ccc(S(N)(=O)=O)cc2s/c1=N\C(=O)c1ccc(Oc2ccccc2)cc1	ZINC000100877655	554505548	/nfs/dbraw/zinc/50/55/48/554505548.db2.gz	IBFGKFHOSJZTMS-LCUIJRPUSA-N	0	0	511.581	3.447	50	0		KGAARN
CCOC(=O)Cn1c2ccc(S(N)(=O)=O)cc2s/c1=N\C(=O)c1ccccc1Oc1ccccc1	ZINC000100877708	554505582	/nfs/dbraw/zinc/50/55/82/554505582.db2.gz	BRUXNWNMLWKTBV-LCUIJRPUSA-N	0	0	511.581	3.447	50	0		KGAARN
COC(=O)c1coc(Cn2cnc3c2c(=O)n(CCOc2ccccc2)c(=O)n3-c2ccc(C(C)C)cc2)n1	ZINC000100887618	554509075	/nfs/dbraw/zinc/50/90/75/554509075.db2.gz	FQFGKZVHSSTXPW-UHFFFAOYSA-N	0	0	529.553	3.374	50	0		KGAARN
CC(C)NC(=O)CN1CN(c2ccccc2)C2(CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)C1=O	ZINC000100889606	554510949	/nfs/dbraw/zinc/51/09/49/554510949.db2.gz	AUIGPAQAZGVRMI-UHFFFAOYSA-N	0	0	538.592	3.060	50	0		KGAARN
COc1ccc(CCNS(=O)(=O)c2cc(NC(=O)Cc3cccs3)ccc2N2CCC(C(N)=O)CC2)cc1OC	ZINC000100894043	554513466	/nfs/dbraw/zinc/51/34/66/554513466.db2.gz	QMWAIKLARQTJKN-UHFFFAOYSA-N	0	0	586.736	3.169	50	0		KGAARN
C[C@H](NS(=O)(=O)c1cc(NC(=O)c2ccc3c(c2)OCO3)ccc1N1CCC(C(N)=O)CC1)c1ccccc1	ZINC000100894400	554513469	/nfs/dbraw/zinc/51/34/69/554513469.db2.gz	FDPKYPVPHAICQI-SFHVURJKSA-N	0	0	550.637	3.409	50	0		KGAARN
C[C@@H](NS(=O)(=O)c1cc(NC(=O)c2ccc3c(c2)OCO3)ccc1N1CCC(C(N)=O)CC1)c1ccccc1	ZINC000100894402	554513408	/nfs/dbraw/zinc/51/34/08/554513408.db2.gz	FDPKYPVPHAICQI-GOSISDBHSA-N	0	0	550.637	3.409	50	0		KGAARN
COC(=O)Cn1c2cc(C)cc(C)c2s/c1=N\C(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1	ZINC000100910631	554517342	/nfs/dbraw/zinc/51/73/42/554517342.db2.gz	NKKFRXWSDSOJQU-BVKCHYSWSA-N	0	0	531.656	3.032	50	0		KGAARN
COC(=O)Cn1c2cc(C)cc(C)c2s/c1=N\C(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)cc1	ZINC000100910633	554517313	/nfs/dbraw/zinc/51/73/13/554517313.db2.gz	NKKFRXWSDSOJQU-SDORMZKBSA-N	0	0	531.656	3.032	50	0		KGAARN
COC(=O)Cn1c2cc(C)cc(C)c2s/c1=N\C(=O)c1ccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)cc1	ZINC000100910635	554517318	/nfs/dbraw/zinc/51/73/18/554517318.db2.gz	NKKFRXWSDSOJQU-GUBHCJHISA-N	0	0	531.656	3.032	50	0		KGAARN
COc1ccc(-c2ccc(N3CCN(C(=O)CN(CCc4ccccc4)C(=O)NC(C)C)CC3)nn2)cc1OC	ZINC000100910827	554517601	/nfs/dbraw/zinc/51/76/01/554517601.db2.gz	SGGPHNRTGWCDGI-UHFFFAOYSA-N	0	0	546.672	3.472	50	0		KGAARN
CCNC(=O)N(CC(=O)N1CCN(c2ccc(-c3ccc(OC)cc3OC)nn2)CC1)Cc1ccc(F)cc1	ZINC000100912238	554517907	/nfs/dbraw/zinc/51/79/07/554517907.db2.gz	LNOJZPNSKMXGIW-UHFFFAOYSA-N	0	0	536.608	3.180	50	0		KGAARN
COC(=O)c1ccccc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](c1ccc(OC)cc1)N[C@]2(Cc1ccccc1)C(=O)OC	ZINC000100915232	554519352	/nfs/dbraw/zinc/51/93/52/554519352.db2.gz	YJTIKQVBSVAFNQ-INVAMZEASA-N	0	0	528.561	3.086	50	0		KGAARN
COC(=O)c1ccccc1N1C(=O)[C@@H]2[C@H](C1=O)[C@H](c1ccc(OC)cc1)N[C@]2(Cc1ccccc1)C(=O)OC	ZINC000100915233	554519691	/nfs/dbraw/zinc/51/96/91/554519691.db2.gz	YJTIKQVBSVAFNQ-XZSZPMDUSA-N	0	0	528.561	3.086	50	0		KGAARN
COC(=O)c1ccccc1N1C(=O)[C@@H]2[C@@H](C1=O)[C@@](Cc1ccccc1)(C(=O)OC)N[C@@H]2c1ccc(OC)cc1	ZINC000100915234	554519748	/nfs/dbraw/zinc/51/97/48/554519748.db2.gz	YJTIKQVBSVAFNQ-ZXPXOXBPSA-N	0	0	528.561	3.086	50	0		KGAARN
COC(=O)c1ccccc1N1C(=O)[C@H]2[C@H](c3ccc(OC)cc3)N[C@](Cc3ccccc3)(C(=O)OC)[C@@H]2C1=O	ZINC000100915235	554519708	/nfs/dbraw/zinc/51/97/08/554519708.db2.gz	YJTIKQVBSVAFNQ-DUXAABNJSA-N	0	0	528.561	3.086	50	0		KGAARN
COc1ccc(S(=O)(=O)N2CCN(C(=O)CN3CCc4sccc4[C@@H]3c3cccc(F)c3)CC2)cc1	ZINC000100915373	554519717	/nfs/dbraw/zinc/51/97/17/554519717.db2.gz	HVIGCHIVKGCDDE-SANMLTNESA-N	0	0	529.659	3.376	50	0		KGAARN
COc1ccc(S(=O)(=O)N2CCN(C(=O)CN3CCc4sccc4[C@H]3c3cccc(F)c3)CC2)cc1	ZINC000100915374	554519720	/nfs/dbraw/zinc/51/97/20/554519720.db2.gz	HVIGCHIVKGCDDE-AREMUKBSSA-N	0	0	529.659	3.376	50	0		KGAARN
COc1ccc(N2C[C@H](C(=O)Nc3nnc(SCC(=O)Nc4cccc(NC(C)=O)c4)s3)CC2=O)cc1	ZINC000100917836	554520246	/nfs/dbraw/zinc/52/02/46/554520246.db2.gz	FMKYWPJXZQDQGI-OAHLLOKOSA-N	0	0	540.627	3.228	50	0		KGAARN
COc1ccc(N2C[C@@H](C(=O)Nc3nnc(SCC(=O)Nc4cccc(NC(C)=O)c4)s3)CC2=O)cc1	ZINC000100917837	554520254	/nfs/dbraw/zinc/52/02/54/554520254.db2.gz	FMKYWPJXZQDQGI-HNNXBMFYSA-N	0	0	540.627	3.228	50	0		KGAARN
CN1O[C@H]2C(=O)N(CCNc3ncc(C(F)(F)F)cc3Cl)C(=O)[C@@H]2[C@H]1c1coc2ccccc2c1=O	ZINC000100919345	554520770	/nfs/dbraw/zinc/52/07/70/554520770.db2.gz	BEXYXJIGSNKGHN-ZHALLVOQSA-N	0	0	522.867	3.244	50	0		KGAARN
O=C(CSc1ccc2nnc(CCNS(=O)(=O)c3ccccc3)n2n1)Nc1ccc(C(F)(F)F)cc1	ZINC000100928530	554525559	/nfs/dbraw/zinc/52/55/59/554525559.db2.gz	SSDCCZBNHYYXMC-UHFFFAOYSA-N	0	0	536.561	3.395	50	0		KGAARN
CCOc1ccc(NC(=O)CSc2ccc3nnc(CCNS(=O)(=O)c4ccc(C)cc4)n3n2)cc1	ZINC000100928560	554525539	/nfs/dbraw/zinc/52/55/39/554525539.db2.gz	NRJPTZBAHZXRFX-UHFFFAOYSA-N	0	0	526.644	3.083	50	0		KGAARN
COc1ccc(S(=O)(=O)NCCc2nnc3ccc(SCC(=O)Nc4cccc(C)c4C)nn32)cc1	ZINC000100928600	554525553	/nfs/dbraw/zinc/52/55/53/554525553.db2.gz	BTSAQLWIYZKJMM-UHFFFAOYSA-N	0	0	526.644	3.002	50	0		KGAARN
COc1ccc(S(=O)(=O)NCCc2nnc3ccc(SCC(=O)Nc4cccc(Cl)c4)nn32)cc1	ZINC000100928605	554525546	/nfs/dbraw/zinc/52/55/46/554525546.db2.gz	QBIVHHZYEKQRPL-UHFFFAOYSA-N	0	0	533.035	3.038	50	0		KGAARN
CCN1C2=C(C(=O)N(CC(=O)NC[C@@H]3COc4ccccc4O3)C2)[C@H](c2ccc(Cl)cc2Cl)NC1=O	ZINC000100929919	554526442	/nfs/dbraw/zinc/52/64/42/554526442.db2.gz	KRJYWLXHVMVXAJ-CMJOXMDJSA-N	0	0	531.396	3.132	50	0		KGAARN
CCN1C2=C(C(=O)N(CC(=O)NC[C@@H]3COc4ccccc4O3)C2)[C@@H](c2ccc(Cl)cc2Cl)NC1=O	ZINC000100929921	554526516	/nfs/dbraw/zinc/52/65/16/554526516.db2.gz	KRJYWLXHVMVXAJ-IQMFZBJNSA-N	0	0	531.396	3.132	50	0		KGAARN
CCN1C2=C(C(=O)N(CC(=O)NC[C@H]3COc4ccccc4O3)C2)[C@H](c2ccc(Cl)cc2Cl)NC1=O	ZINC000100929923	554526537	/nfs/dbraw/zinc/52/65/37/554526537.db2.gz	KRJYWLXHVMVXAJ-WNSKOXEYSA-N	0	0	531.396	3.132	50	0		KGAARN
CCN1C2=C(C(=O)N(CC(=O)NC[C@H]3COc4ccccc4O3)C2)[C@@H](c2ccc(Cl)cc2Cl)NC1=O	ZINC000100929924	554526478	/nfs/dbraw/zinc/52/64/78/554526478.db2.gz	KRJYWLXHVMVXAJ-NPMXOYFQSA-N	0	0	531.396	3.132	50	0		KGAARN
COC(=O)c1nn(-c2ccc(Br)cc2)c2c(O)n(-c3ccc(Br)cc3)c(O)c12	ZINC000100945935	554533905	/nfs/dbraw/zinc/53/39/05/554533905.db2.gz	DXLWYEBSEJTMOQ-GDBMZVCRSA-N	0	0	507.138	3.119	50	0		KGAARN
COC(=O)c1nn(-c2ccc(Br)cc2)c2c(O)n(-c3ccc(Br)cc3)c(O)c12	ZINC000100945940	554533982	/nfs/dbraw/zinc/53/39/82/554533982.db2.gz	DXLWYEBSEJTMOQ-ZBFHGGJFSA-N	0	0	507.138	3.119	50	0		KGAARN
COC(=O)c1nn(-c2ccc(Br)cc2)c2c(O)n(-c3ccc(Br)cc3)c(O)c12	ZINC000100945946	554533937	/nfs/dbraw/zinc/53/39/37/554533937.db2.gz	DXLWYEBSEJTMOQ-HOCLYGCPSA-N	0	0	507.138	3.119	50	0		KGAARN
COc1ccc(C(=O)C2=C3C(O)N(c4ccc5c(c4)OCCO5)C(=O)[C@H]3[C@H]3c4ccccc4C=NN23)cc1	ZINC000100959801	554541914	/nfs/dbraw/zinc/54/19/14/554541914.db2.gz	FPVBIUUXEHHGPU-XDZVQPMWSA-N	0	0	509.518	3.228	50	0		KGAARN
COc1ccc(C(=O)C2=C3C(O)N(c4ccc5c(c4)OCCO5)C(=O)[C@H]3[C@@H]3c4ccccc4C=NN23)cc1	ZINC000100959806	554541884	/nfs/dbraw/zinc/54/18/84/554541884.db2.gz	FPVBIUUXEHHGPU-KEVKATSASA-N	0	0	509.518	3.228	50	0		KGAARN
COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)Nc2nc3c(s2)CN(Cc2ccccc2)CC3)cc1	ZINC000100961377	554542439	/nfs/dbraw/zinc/54/24/39/554542439.db2.gz	CIQURYBALCINGO-UHFFFAOYSA-N	0	0	544.699	3.237	50	0		KGAARN
COC(=O)c1ccccc1N1C(=O)[C@@H]2C(=C(C(=O)c3ccc(OC)cc3)N3N=Cc4ccccc4[C@H]23)C1O	ZINC000100964533	554542968	/nfs/dbraw/zinc/54/29/68/554542968.db2.gz	AANUQHGLJCTRSU-ZFFYZDHPSA-N	0	0	509.518	3.243	50	0		KGAARN
COC(=O)c1ccccc1N1C(=O)[C@@H]2C(=C(C(=O)c3ccc(OC)cc3)N3N=Cc4ccccc4[C@@H]23)C1O	ZINC000100964536	554542969	/nfs/dbraw/zinc/54/29/69/554542969.db2.gz	AANUQHGLJCTRSU-WSOYEBOPSA-N	0	0	509.518	3.243	50	0		KGAARN
COc1ccc(C(=O)C2=C3C(O)N(c4ccc(OC(C)=O)cc4)C(=O)[C@H]3[C@@H]3c4ccccc4C=NN23)cc1	ZINC000100965701	554543280	/nfs/dbraw/zinc/54/32/80/554543280.db2.gz	HLPRRBIWIWONLV-KEVKATSASA-N	0	0	509.518	3.382	50	0		KGAARN
COc1ccc(C(=O)C2=C3C(O)N(c4ccc(OC(C)=O)cc4)C(=O)[C@H]3[C@H]3c4ccccc4C=NN23)cc1	ZINC000100965704	554543275	/nfs/dbraw/zinc/54/32/75/554543275.db2.gz	HLPRRBIWIWONLV-XDZVQPMWSA-N	0	0	509.518	3.382	50	0		KGAARN
COc1ccc(C(=O)C2=C3C(O)N(c4cc(OC)ccc4OC)C(=O)[C@H]3[C@H]3c4ccccc4C=NN23)cc1	ZINC000100973296	554544962	/nfs/dbraw/zinc/54/49/62/554544962.db2.gz	QKHAKCBSXYIUTO-XDZVQPMWSA-N	0	0	511.534	3.474	50	0		KGAARN
COc1ccc(C(=O)C2=C3C(O)N(c4cc(OC)ccc4OC)C(=O)[C@H]3[C@@H]3c4ccccc4C=NN23)cc1	ZINC000100973300	554545007	/nfs/dbraw/zinc/54/50/07/554545007.db2.gz	QKHAKCBSXYIUTO-KEVKATSASA-N	0	0	511.534	3.474	50	0		KGAARN
CS(=O)(=O)c1ccc2nc(NC(=O)Cc3csc(NC(=O)c4ccc5c(c4)OCO5)n3)sc2c1	ZINC000100975501	554546759	/nfs/dbraw/zinc/54/67/59/554546759.db2.gz	LTJZYOWHMFIDFT-UHFFFAOYSA-N	0	0	516.582	3.319	50	0		KGAARN
COc1ccc(OC[C@H](O)CN2CCN(Cc3nc(C(=O)NCc4cccc(C(F)(F)F)c4)co3)CC2)cc1	ZINC000100984250	554548250	/nfs/dbraw/zinc/54/82/50/554548250.db2.gz	MVHBPSNLJJPAQH-OAQYLSRUSA-N	0	0	548.562	3.190	50	0		KGAARN
COc1ccc(OC[C@@H](O)CN2CCN(Cc3nc(C(=O)NCc4cccc(C(F)(F)F)c4)co3)CC2)cc1	ZINC000100984251	554548264	/nfs/dbraw/zinc/54/82/64/554548264.db2.gz	MVHBPSNLJJPAQH-NRFANRHFSA-N	0	0	548.562	3.190	50	0		KGAARN
COc1ccc(C(=O)C2=C3C(O)N(c4ccc(OC)cc4OC)C(=O)[C@H]3[C@H]3c4ccccc4C=NN23)cc1	ZINC000100986121	554548411	/nfs/dbraw/zinc/54/84/11/554548411.db2.gz	SMRBMNMNTKWDON-XDZVQPMWSA-N	0	0	511.534	3.474	50	0		KGAARN
COc1ccc(C(=O)C2=C3C(O)N(c4ccc(OC)cc4OC)C(=O)[C@H]3[C@@H]3c4ccccc4C=NN23)cc1	ZINC000100986125	554548418	/nfs/dbraw/zinc/54/84/18/554548418.db2.gz	SMRBMNMNTKWDON-KEVKATSASA-N	0	0	511.534	3.474	50	0		KGAARN
O=S(=O)(c1ccc(Br)s1)N1CCN(S(=O)(=O)c2ccc(Br)s2)CC1	ZINC000100992322	554550367	/nfs/dbraw/zinc/55/03/67/554550367.db2.gz	UWDSAOGKGXMGKX-UHFFFAOYSA-N	0	0	536.314	3.030	50	0		KGAARN
O=C(NCCn1ncc2c1ncn(Cc1ccc(Br)cc1)c2=O)c1ccc(Br)o1	ZINC000101007966	554556156	/nfs/dbraw/zinc/55/61/56/554556156.db2.gz	MTVSUNUXIIJPHT-UHFFFAOYSA-N	0	0	521.169	3.189	50	0		KGAARN
COc1cc(C(=O)NCCn2ncc3c2ncn(Cc2cccc(C(F)(F)F)c2)c3=O)cc(OC)c1OC	ZINC000101008266	554556347	/nfs/dbraw/zinc/55/63/47/554556347.db2.gz	SVPCJWYRGYFZQN-UHFFFAOYSA-N	0	0	531.491	3.116	50	0		KGAARN
CCCS(=O)(=O)N(CCOC)CC(=O)N(Cc1ccc(Cl)cc1)C1CCN(C(=O)c2ccco2)CC1	ZINC000101021959	554561787	/nfs/dbraw/zinc/56/17/87/554561787.db2.gz	QYYDHIUZDYWJHK-UHFFFAOYSA-N	0	0	540.082	3.255	50	0		KGAARN
Cc1ccc(S(=O)(=O)N2CCN(CCOC(=O)c3cc4cc(Br)ccc4oc3=O)CC2)cc1	ZINC000101031221	554565078	/nfs/dbraw/zinc/56/50/78/554565078.db2.gz	RVFCZZLXOGWRJC-UHFFFAOYSA-N	0	0	535.416	3.027	50	0		KGAARN
COc1ccc(NC(=O)[C@H](CCSC)NC(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1OC	ZINC000101034991	554565370	/nfs/dbraw/zinc/56/53/70/554565370.db2.gz	TXDFWCMJEIJTSM-QFIPXVFZSA-N	0	0	549.715	3.290	50	0		KGAARN
O=C1C[C@@H](N(O)[C@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2=O)C(=O)N1c1cccc(C(F)(F)F)c1	ZINC000101036722	554566054	/nfs/dbraw/zinc/56/60/54/554566054.db2.gz	SCQXSGRWIAJYBY-IYBDPMFKSA-N	0	0	515.366	3.379	50	0		KGAARN
O=C1C[C@@H](N(O)[C@@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2=O)C(=O)N1c1cccc(C(F)(F)F)c1	ZINC000101036725	554566014	/nfs/dbraw/zinc/56/60/14/554566014.db2.gz	SCQXSGRWIAJYBY-HZPDHXFCSA-N	0	0	515.366	3.379	50	0		KGAARN
CCCCN1c2ccccc2/C(=c2/sc3n(c2=O)[C@@H](c2ccc(OC(C)=O)cc2)C(C(=O)OCC)=C(C)N=3)C1=O	ZINC000101038845	554567357	/nfs/dbraw/zinc/56/73/57/554567357.db2.gz	YCFBFVFOVVQBTA-ULWNEYHBSA-N	0	0	559.644	3.241	50	0		KGAARN
CCCCN1c2ccccc2/C(=c2/sc3n(c2=O)[C@H](c2ccc(OC(C)=O)cc2)C(C(=O)OCC)=C(C)N=3)C1=O	ZINC000101038847	554567354	/nfs/dbraw/zinc/56/73/54/554567354.db2.gz	YCFBFVFOVVQBTA-ZCCPQQFYSA-N	0	0	559.644	3.241	50	0		KGAARN
CCCCOC(=O)c1ccc(N2C(=O)[C@H]3C(=C(C(=O)c4ccc(OC)c(OC)c4)N4N=CC=C[C@H]34)C2O)cc1	ZINC000101039231	554567360	/nfs/dbraw/zinc/56/73/60/554567360.db2.gz	IQRWDUBMTZPONR-HVHOJJEHSA-N	0	0	531.565	3.258	50	0		KGAARN
CCCCN1c2ccccc2/C(=c2/sc3n(c2=O)[C@@H](c2ccc(OC)c(OC)c2)C(C(=O)OCC)=C(C)N=3)C1=O	ZINC000101039239	554567384	/nfs/dbraw/zinc/56/73/84/554567384.db2.gz	PCUGUZYTNKHQGW-ULWNEYHBSA-N	0	0	561.660	3.332	50	0		KGAARN
CCCCN1c2ccccc2/C(=c2/sc3n(c2=O)[C@H](c2ccc(OC)c(OC)c2)C(C(=O)OCC)=C(C)N=3)C1=O	ZINC000101039244	554567358	/nfs/dbraw/zinc/56/73/58/554567358.db2.gz	PCUGUZYTNKHQGW-ZCCPQQFYSA-N	0	0	561.660	3.332	50	0		KGAARN
CCN1CCN(S(=O)(=O)c2ccc(OC)c(N3CCN(S(=O)(=O)c4cc(Cl)c(Cl)cc4Cl)CC3)c2)CC1	ZINC000101054086	554568916	/nfs/dbraw/zinc/56/89/16/554568916.db2.gz	WDSCQHGDZXKNLY-UHFFFAOYSA-N	0	0	612.001	3.493	50	0		KGAARN
CCN1CCN(S(=O)(=O)c2ccc(OC)c(N3CCN(S(=O)(=O)c4ccc(C(C)(C)CC)cc4)CC3)c2)CC1	ZINC000101054417	554569290	/nfs/dbraw/zinc/56/92/90/554569290.db2.gz	JPLATMVGBKENJW-UHFFFAOYSA-N	0	0	578.801	3.220	50	0		KGAARN
CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(Br)cc2)n2c(=O)/c(=C\c3cnn(C)c3)sc2=N1	ZINC000101071003	554575176	/nfs/dbraw/zinc/57/51/76/554575176.db2.gz	FDTSLXFQJZHYNI-PZDOZLBDSA-N	0	0	534.439	3.370	50	0		KGAARN
CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(Br)cc2)n2c(=O)/c(=C\c3cnn(C)c3)sc2=N1	ZINC000101071005	554575240	/nfs/dbraw/zinc/57/52/40/554575240.db2.gz	FDTSLXFQJZHYNI-FNUHDPNESA-N	0	0	534.439	3.370	50	0		KGAARN
O=S(=O)(CCN1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1)c1ccc(Br)cc1	ZINC000101081132	554578986	/nfs/dbraw/zinc/57/89/86/554578986.db2.gz	WZUNKQDZZSLNMG-UHFFFAOYSA-N	0	0	541.411	3.248	50	0		KGAARN
CN(C(=O)CCc1nc(CN2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)no1)C1CCCCC1	ZINC000101081809	554579251	/nfs/dbraw/zinc/57/92/51/554579251.db2.gz	FFKPCTPQTQAJOO-UHFFFAOYSA-N	0	0	554.511	3.062	50	0		KGAARN
Cc1nc2ncnn2c(N2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)c1Cc1ccccc1	ZINC000101081822	554579105	/nfs/dbraw/zinc/57/91/05/554579105.db2.gz	OPDPIEMWVPULIU-UHFFFAOYSA-N	0	0	527.448	3.297	50	0		KGAARN
COc1ccc(-n2nc(C(=O)NCc3ccc(F)cc3)c(=O)n(Cc3ccccc3Cl)c2=O)cc1OC	ZINC000101082524	554579482	/nfs/dbraw/zinc/57/94/82/554579482.db2.gz	LEDHQFUTNHSWPC-UHFFFAOYSA-N	0	0	524.936	3.182	50	0		KGAARN
O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc(S(=O)(=O)c2ccc(Br)cc2)o1	ZINC000101083084	554579759	/nfs/dbraw/zinc/57/97/59/554579759.db2.gz	WNGPRILBUSMDQO-UHFFFAOYSA-N	0	0	555.428	3.148	50	0		KGAARN
CCC1=C(C(=O)OC)[C@H](c2cccc(OC)c2)N2C(CC(=O)NCCCN3CCCC3=O)=CSC2=N1	ZINC000101085507	554580521	/nfs/dbraw/zinc/58/05/21/554580521.db2.gz	DJMUZIVHQQEYBN-DEOSSOPVSA-N	0	0	512.632	3.352	50	0		KGAARN
CCC1=C(C(=O)OC)[C@@H](c2cccc(OC)c2)N2C(CC(=O)NCCCN3CCCC3=O)=CSC2=N1	ZINC000101085509	554580452	/nfs/dbraw/zinc/58/04/52/554580452.db2.gz	DJMUZIVHQQEYBN-XMMPIXPASA-N	0	0	512.632	3.352	50	0		KGAARN
O=C(NCc1ccc2c(c1)OCO2)c1nn(-c2ccccc2)c(=O)n(Cc2ccc(C(F)(F)F)cc2)c1=O	ZINC000101086403	554580761	/nfs/dbraw/zinc/58/07/61/554580761.db2.gz	JXQFQFRAYGVERN-UHFFFAOYSA-N	0	0	524.455	3.120	50	0		KGAARN
O=C(NCc1ccc2c(c1)OCO2)c1nn(-c2ccccc2)c(=O)n(Cc2cccc(C(F)(F)F)c2)c1=O	ZINC000101086483	554580726	/nfs/dbraw/zinc/58/07/26/554580726.db2.gz	WOANTGRTWASNRP-UHFFFAOYSA-N	0	0	524.455	3.120	50	0		KGAARN
O=C(NCc1ccc2c(c1)OCO2)c1nn(-c2ccccc2F)c(=O)n(Cc2ccc(C(F)(F)F)cc2)c1=O	ZINC000101086758	554580763	/nfs/dbraw/zinc/58/07/63/554580763.db2.gz	UZFCUHYYVIPUQY-UHFFFAOYSA-N	0	0	542.445	3.259	50	0		KGAARN
CCCCOC(=O)c1ccc(N2C(=O)[C@@H]3C(=C(C(=O)c4ccc(OC(C)=O)cc4)N4N=CC=C[C@@H]34)C2O)cc1	ZINC000101088474	554581159	/nfs/dbraw/zinc/58/11/59/554581159.db2.gz	NRTHGKVIDOLOJW-OJJQZRKESA-N	0	0	529.549	3.166	50	0		KGAARN
COc1ccccc1NC(=O)COC(=O)c1ccc2c(c1)C(=O)N([C@H](C(=O)OCC(=O)Nc1ccccc1OC)C(C)C)C2=O	ZINC000101089741	554581450	/nfs/dbraw/zinc/58/14/50/554581450.db2.gz	ZKPJMSRFUSSUDE-NDEPHWFRSA-N	0	0	617.611	3.302	50	0		KGAARN
COc1ccccc1NC(=O)COC(=O)c1ccc2c(c1)C(=O)N([C@@H](C(=O)OCC(=O)Nc1ccccc1OC)C(C)C)C2=O	ZINC000101089746	554581492	/nfs/dbraw/zinc/58/14/92/554581492.db2.gz	ZKPJMSRFUSSUDE-MUUNZHRXSA-N	0	0	617.611	3.302	50	0		KGAARN
CCc1ccc(NC(=O)COC(=O)CN2C(=O)c3ccc(C(=O)OCC(=O)Nc4ccc(CC)cc4)cc3C2=O)cc1	ZINC000101089753	554581429	/nfs/dbraw/zinc/58/14/29/554581429.db2.gz	XUPWUQYMYGPUCD-UHFFFAOYSA-N	0	0	571.586	3.385	50	0		KGAARN
Cc1ccc(NC(=O)COC(=O)CN2C(=O)c3ccc(C(=O)OCC(=O)Nc4ccc(C)cc4C)cc3C2=O)c(C)c1	ZINC000101089757	554581391	/nfs/dbraw/zinc/58/13/91/554581391.db2.gz	HOXCJECAHLBIAQ-UHFFFAOYSA-N	0	0	571.586	3.494	50	0		KGAARN
CCOc1ccc(NC(=O)COC(=O)CN2C(=O)c3ccc(C(=O)OCC(=O)Nc4ccc(OCC)cc4)cc3C2=O)cc1	ZINC000101089787	554581432	/nfs/dbraw/zinc/58/14/32/554581432.db2.gz	PNZBVMWYMBMDCB-UHFFFAOYSA-N	0	0	603.584	3.057	50	0		KGAARN
O=C([C@@H](NS(=O)(=O)c1ccc(Br)s1)c1ccccc1)N1CCN(c2ccccn2)CC1	ZINC000101090115	554581625	/nfs/dbraw/zinc/58/16/25/554581625.db2.gz	HFVBEJBTJHHELZ-FQEVSTJZSA-N	0	0	521.462	3.274	50	0		KGAARN
O=C([C@H](NS(=O)(=O)c1ccc(Br)s1)c1ccccc1)N1CCN(c2ccccn2)CC1	ZINC000101090117	554581704	/nfs/dbraw/zinc/58/17/04/554581704.db2.gz	HFVBEJBTJHHELZ-HXUWFJFHSA-N	0	0	521.462	3.274	50	0		KGAARN
CCOC(=O)c1sc(NC(=O)COC(=O)c2ccc3c(c2)C(=O)N(C(C)C)C3=O)c(C(=O)OCC)c1C	ZINC000101091791	554582890	/nfs/dbraw/zinc/58/28/90/554582890.db2.gz	ZNTJSRXMHSVXIO-UHFFFAOYSA-N	0	0	530.555	3.210	50	0		KGAARN
O=C(CN(CCN1CCOCC1)C(=O)c1ccc2c(c1)OCO2)N1CCCN(c2ccc(-c3ccccc3Cl)nn2)CC1	ZINC000101093658	554583566	/nfs/dbraw/zinc/58/35/66/554583566.db2.gz	ZQJZHELFFSPLCF-UHFFFAOYSA-N	0	0	607.111	3.039	50	0		KGAARN
CCOC(=O)c1oc2ccc(S(=O)(=O)Nc3cc4c(cc3N3CCCCC3)n(C)c(=O)c(=O)n4C)cc2c1C	ZINC000101096751	554584662	/nfs/dbraw/zinc/58/46/62/554584662.db2.gz	CMQXSGVMVOBOCW-UHFFFAOYSA-N	0	0	554.625	3.260	50	0		KGAARN
O=C(CCN1C(=O)c2cccc3cccc(c32)C1=O)NCCCNC(=O)CCN1C(=O)c2cccc3cccc(c32)C1=O	ZINC000101098653	554585484	/nfs/dbraw/zinc/58/54/84/554585484.db2.gz	ZKPNAYOMLXXFLH-UHFFFAOYSA-N	0	0	576.609	3.288	50	0		KGAARN
COc1ccc(C(=O)C2=C3C(O)N(c4ccc(C(N)=O)cc4)C(=O)[C@@H]3[C@@H]3c4ccccc4C=CN23)cc1OC	ZINC000101108749	554640740	/nfs/dbraw/zinc/64/07/40/554640740.db2.gz	ZYMWPZDACIINEO-QYOOZWMWSA-N	0	0	523.545	3.201	50	0		KGAARN
O=C(c1ccccc1I)N1CCN(C(=O)c2ccccc2I)CC1	ZINC000101117183	554643322	/nfs/dbraw/zinc/64/33/22/554643322.db2.gz	UFKTZVYQTLKPAV-UHFFFAOYSA-N	0	0	546.146	3.494	50	0		KGAARN
COC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)ccc3OC(C)=O)c(=O)n2[C@@H]1c1ccc(OC)cc1	ZINC000101126122	554645490	/nfs/dbraw/zinc/64/54/90/554645490.db2.gz	KBLXIQCKFDJEIA-FNUHDPNESA-N	0	0	557.422	3.105	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)ccc3OC(C)=O)c(=O)n2[C@@H]1c1ccc(OC(C)=O)cc1	ZINC000101126430	554645405	/nfs/dbraw/zinc/64/54/05/554645405.db2.gz	OMKJZKQEXBAVTA-LYRGBEMXSA-N	0	0	599.459	3.411	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)ccc3OC(C)=O)c(=O)n2[C@H]1c1ccc(OC(C)=O)cc1	ZINC000101126435	554645470	/nfs/dbraw/zinc/64/54/70/554645470.db2.gz	OMKJZKQEXBAVTA-JGTYQCAFSA-N	0	0	599.459	3.411	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(Br)c3)c(=O)n2[C@@H]1c1ccc(OC(C)=O)cc1	ZINC000101126440	554645719	/nfs/dbraw/zinc/64/57/19/554645719.db2.gz	ADIBKCOFSPHIMV-WVWKGNOCSA-N	0	0	541.423	3.486	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(Br)c3)c(=O)n2[C@H]1c1ccc(OC(C)=O)cc1	ZINC000101126447	554645702	/nfs/dbraw/zinc/64/57/02/554645702.db2.gz	ADIBKCOFSPHIMV-IMEWXKHHSA-N	0	0	541.423	3.486	50	0		KGAARN
COc1cccc(/C=c2/sc3n(c2=O)[C@H](c2ccc(OC(C)=O)c(OC)c2)C(C(=O)OCC(C)C)=C(C)N=3)c1	ZINC000101128944	554647679	/nfs/dbraw/zinc/64/76/79/554647679.db2.gz	QZROVZLBHCDQON-DJTCXORXSA-N	0	0	550.633	3.377	50	0		KGAARN
COc1cccc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(OC(C)=O)c(OC)c2)C(C(=O)OCC(C)C)=C(C)N=3)c1	ZINC000101128945	554647683	/nfs/dbraw/zinc/64/76/83/554647683.db2.gz	QZROVZLBHCDQON-LNXFQTKESA-N	0	0	550.633	3.377	50	0		KGAARN
COc1cc([C@@H]2C(C(=O)OCC(C)C)=C(C)N=c3s/c(=C/c4cc(OC)c(OC)c(OC)c4)c(=O)n32)ccc1OC(C)=O	ZINC000101129127	554647688	/nfs/dbraw/zinc/64/76/88/554647688.db2.gz	NSMVCDHKAXARCM-CCVBWGSMSA-N	0	0	610.685	3.394	50	0		KGAARN
COc1cc([C@H]2C(C(=O)OCC(C)C)=C(C)N=c3s/c(=C/c4cc(OC)c(OC)c(OC)c4)c(=O)n32)ccc1OC(C)=O	ZINC000101129132	554647677	/nfs/dbraw/zinc/64/76/77/554647677.db2.gz	NSMVCDHKAXARCM-ZWTBYVTRSA-N	0	0	610.685	3.394	50	0		KGAARN
COc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4cc(OC)c(OC)c(OC)c4)c(=O)n32)cc1	ZINC000101129257	554647892	/nfs/dbraw/zinc/64/78/92/554647892.db2.gz	SKYJLSMOTXDXNR-MGSPXPDISA-N	0	0	538.622	3.221	50	0		KGAARN
COc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4cc(OC)c(OC)c(OC)c4)c(=O)n32)cc1	ZINC000101129259	554647868	/nfs/dbraw/zinc/64/78/68/554647868.db2.gz	SKYJLSMOTXDXNR-XPCGLTFESA-N	0	0	538.622	3.221	50	0		KGAARN
COc1cc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(OC(C)=O)c(OC)c2)C(C(=O)OCC(C)C)=C(C)N=3)ccc1OC(C)=O	ZINC000101129269	554647901	/nfs/dbraw/zinc/64/79/01/554647901.db2.gz	SIBNYNBKHWKPMT-INJWXVQMSA-N	0	0	608.669	3.302	50	0		KGAARN
COc1cc(/C=c2/sc3n(c2=O)[C@H](c2ccc(OC(C)=O)c(OC)c2)C(C(=O)OCC(C)C)=C(C)N=3)ccc1OC(C)=O	ZINC000101129273	554647889	/nfs/dbraw/zinc/64/78/89/554647889.db2.gz	SIBNYNBKHWKPMT-ZCWBPALNSA-N	0	0	608.669	3.302	50	0		KGAARN
COc1cc([C@@H]2C(C(=O)OCC(C)C)=C(C)N=c3s/c(=C/c4cccs4)c(=O)n32)ccc1OC(C)=O	ZINC000101129299	554647885	/nfs/dbraw/zinc/64/78/85/554647885.db2.gz	HMODNIWUUDMENF-YOKWNPFVSA-N	0	0	526.636	3.430	50	0		KGAARN
COc1cc([C@H]2C(C(=O)OCC(C)C)=C(C)N=c3s/c(=C/c4cccs4)c(=O)n32)ccc1OC(C)=O	ZINC000101129303	554647911	/nfs/dbraw/zinc/64/79/11/554647911.db2.gz	HMODNIWUUDMENF-NWKGEQBZSA-N	0	0	526.636	3.430	50	0		KGAARN
COc1cc([C@@H]2C(C(=O)OCC(C)C)=C(C)N=c3s/c(=C/c4ccc(OC(C)=O)cc4)c(=O)n32)ccc1OC(C)=O	ZINC000101129344	554648173	/nfs/dbraw/zinc/64/81/73/554648173.db2.gz	OMORNMUWUFJQPM-CCVBWGSMSA-N	0	0	578.643	3.294	50	0		KGAARN
COc1cc([C@H]2C(C(=O)OCC(C)C)=C(C)N=c3s/c(=C/c4ccc(OC(C)=O)cc4)c(=O)n32)ccc1OC(C)=O	ZINC000101129346	554648133	/nfs/dbraw/zinc/64/81/33/554648133.db2.gz	OMORNMUWUFJQPM-ZWTBYVTRSA-N	0	0	578.643	3.294	50	0		KGAARN
COc1cccc(/C=c2/sc3n(c2=O)[C@H](c2ccc(OC(C)=O)c(OC)c2)C(C(=O)OCC(C)C)=C(C)N=3)c1OC	ZINC000101129351	554648116	/nfs/dbraw/zinc/64/81/16/554648116.db2.gz	VLMYYYDJARTXBC-JAYSWQADSA-N	0	0	580.659	3.386	50	0		KGAARN
COc1cccc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(OC(C)=O)c(OC)c2)C(C(=O)OCC(C)C)=C(C)N=3)c1OC	ZINC000101129353	554648137	/nfs/dbraw/zinc/64/81/37/554648137.db2.gz	VLMYYYDJARTXBC-KEQCBNTKSA-N	0	0	580.659	3.386	50	0		KGAARN
COc1ccc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(OC(C)=O)c(OC)c2)C(C(=O)OCC(C)C)=C(C)N=3)c(OC)c1	ZINC000101129355	554648140	/nfs/dbraw/zinc/64/81/40/554648140.db2.gz	FQFOZAPGTSKIET-ZWTBYVTRSA-N	0	0	580.659	3.386	50	0		KGAARN
COc1ccc(/C=c2/sc3n(c2=O)[C@H](c2ccc(OC(C)=O)c(OC)c2)C(C(=O)OCC(C)C)=C(C)N=3)c(OC)c1	ZINC000101129357	554648152	/nfs/dbraw/zinc/64/81/52/554648152.db2.gz	FQFOZAPGTSKIET-CCVBWGSMSA-N	0	0	580.659	3.386	50	0		KGAARN
COc1ccc(OC)c(/C=c2/sc3n(c2=O)[C@H](c2ccc(OC(C)=O)c(OC)c2)C(C(=O)OCC(C)C)=C(C)N=3)c1	ZINC000101129379	554648161	/nfs/dbraw/zinc/64/81/61/554648161.db2.gz	KJUUDGBXWSOZOP-LXYLXTGBSA-N	0	0	580.659	3.386	50	0		KGAARN
COc1ccc(OC)c(/C=c2/sc3n(c2=O)[C@@H](c2ccc(OC(C)=O)c(OC)c2)C(C(=O)OCC(C)C)=C(C)N=3)c1	ZINC000101129381	554648144	/nfs/dbraw/zinc/64/81/44/554648144.db2.gz	KJUUDGBXWSOZOP-XGLZOBASSA-N	0	0	580.659	3.386	50	0		KGAARN
COc1cc([C@@H]2C(C(=O)OCC(C)C)=C(C)N=c3s/c(=C/c4cccc(OC(C)=O)c4)c(=O)n32)ccc1OC(C)=O	ZINC000101129383	554648204	/nfs/dbraw/zinc/64/82/04/554648204.db2.gz	LMJAFZZFRYVQSH-CCVBWGSMSA-N	0	0	578.643	3.294	50	0		KGAARN
COc1cc([C@H]2C(C(=O)OCC(C)C)=C(C)N=c3s/c(=C/c4cccc(OC(C)=O)c4)c(=O)n32)ccc1OC(C)=O	ZINC000101129384	554648165	/nfs/dbraw/zinc/64/81/65/554648165.db2.gz	LMJAFZZFRYVQSH-ZWTBYVTRSA-N	0	0	578.643	3.294	50	0		KGAARN
COCCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC)cc3OC)c(=O)n2[C@@H]1c1ccc(OC(=O)c2ccco2)cc1	ZINC000101129631	554648667	/nfs/dbraw/zinc/64/86/67/554648667.db2.gz	KPFGRURTIQMVAO-QTTRZTASSA-N	0	0	604.637	3.254	50	0		KGAARN
COCCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC)cc3OC)c(=O)n2[C@H]1c1ccc(OC(=O)c2ccco2)cc1	ZINC000101129634	554648674	/nfs/dbraw/zinc/64/86/74/554648674.db2.gz	KPFGRURTIQMVAO-QPJBPQEWSA-N	0	0	604.637	3.254	50	0		KGAARN
COc1ccccc1/C=c1/sc2n(c1=O)[C@H](c1ccc(OC(C)=O)c(OC)c1)C(C(=O)OCC(C)C)=C(C)N=2	ZINC000101130687	554649751	/nfs/dbraw/zinc/64/97/51/554649751.db2.gz	SXZSBCVTWIBDEG-JAYSWQADSA-N	0	0	550.633	3.377	50	0		KGAARN
COc1ccccc1/C=c1/sc2n(c1=O)[C@@H](c1ccc(OC(C)=O)c(OC)c1)C(C(=O)OCC(C)C)=C(C)N=2	ZINC000101130689	554649785	/nfs/dbraw/zinc/64/97/85/554649785.db2.gz	SXZSBCVTWIBDEG-KEQCBNTKSA-N	0	0	550.633	3.377	50	0		KGAARN
NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@@H](CCCCNC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1	ZINC000101134531	554650953	/nfs/dbraw/zinc/65/09/53/554650953.db2.gz	JRUUTUJETVOZTO-KAYWLYCHSA-N	0	0	576.650	3.297	50	0		KGAARN
NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCNC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1	ZINC000101134536	554650973	/nfs/dbraw/zinc/65/09/73/554650973.db2.gz	JRUUTUJETVOZTO-RRPNLBNLSA-N	0	0	576.650	3.297	50	0		KGAARN
NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](CCCCNC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1	ZINC000101134539	554651154	/nfs/dbraw/zinc/65/11/54/554651154.db2.gz	JRUUTUJETVOZTO-SXOMAYOGSA-N	0	0	576.650	3.297	50	0		KGAARN
NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCNC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1	ZINC000101134543	554651166	/nfs/dbraw/zinc/65/11/66/554651166.db2.gz	JRUUTUJETVOZTO-SVBPBHIXSA-N	0	0	576.650	3.297	50	0		KGAARN
O=C(N[C@H](Cc1cccc(O)c1)C(=O)N1CCC[C@H](C(=O)N2C(=O)OC[C@@H]2Cc2ccccc2)N1)OCC(Cl)(Cl)Cl	ZINC000101143589	554655397	/nfs/dbraw/zinc/65/53/97/554655397.db2.gz	MQIMCSHOBUUJKJ-KSEOMHKRSA-N	0	0	627.909	3.485	50	0		KGAARN
O=C(N[C@@H](Cc1cccc(O)c1)C(=O)N1CCC[C@H](C(=O)N2C(=O)OC[C@@H]2Cc2ccccc2)N1)OCC(Cl)(Cl)Cl	ZINC000101143593	554655420	/nfs/dbraw/zinc/65/54/20/554655420.db2.gz	MQIMCSHOBUUJKJ-NNWRFLSQSA-N	0	0	627.909	3.485	50	0		KGAARN
O=C(N[C@H](Cc1cccc(O)c1)C(=O)N1CCC[C@@H](C(=O)N2C(=O)OC[C@@H]2Cc2ccccc2)N1)OCC(Cl)(Cl)Cl	ZINC000101143596	554655424	/nfs/dbraw/zinc/65/54/24/554655424.db2.gz	MQIMCSHOBUUJKJ-ILWGZMRPSA-N	0	0	627.909	3.485	50	0		KGAARN
O=C(N[C@@H](Cc1cccc(O)c1)C(=O)N1CCC[C@@H](C(=O)N2C(=O)OC[C@@H]2Cc2ccccc2)N1)OCC(Cl)(Cl)Cl	ZINC000101143600	554655430	/nfs/dbraw/zinc/65/54/30/554655430.db2.gz	MQIMCSHOBUUJKJ-BVSLBCMMSA-N	0	0	627.909	3.485	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)c3ccccc3Cl)CC2)N(C)C(=O)N[C@@H]1c1cccc(OC)c1OC	ZINC000101151087	554657223	/nfs/dbraw/zinc/65/72/23/554657223.db2.gz	KHSCAQIRVRWMES-XMMPIXPASA-N	0	0	557.047	3.329	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)c3ccccc3Cl)CC2)N(C)C(=O)N[C@H]1c1cccc(OC)c1OC	ZINC000101151088	554657274	/nfs/dbraw/zinc/65/72/74/554657274.db2.gz	KHSCAQIRVRWMES-DEOSSOPVSA-N	0	0	557.047	3.329	50	0		KGAARN
CCOC(=O)C1=C(CN2CCCN(C(=O)c3ccc4c(c3)OCO4)CC2)N(C)C(=O)N[C@@H]1c1ccc(Cl)cc1	ZINC000101151374	554657445	/nfs/dbraw/zinc/65/74/45/554657445.db2.gz	DJSXMKRJBWJTIC-RUZDIDTESA-N	0	0	555.031	3.430	50	0		KGAARN
CCOC(=O)C1=C(CN2CCCN(C(=O)c3ccc4c(c3)OCO4)CC2)N(C)C(=O)N[C@H]1c1ccc(Cl)cc1	ZINC000101151377	554657421	/nfs/dbraw/zinc/65/74/21/554657421.db2.gz	DJSXMKRJBWJTIC-VWLOTQADSA-N	0	0	555.031	3.430	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)c3ccc(F)cc3)CC2)N(CC)C(=O)N[C@H]1c1cc(OC)cc(OC)c1	ZINC000101151601	554657454	/nfs/dbraw/zinc/65/74/54/554657454.db2.gz	FMHYQCDRDZXCAP-SANMLTNESA-N	0	0	554.619	3.204	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)c3ccc(F)cc3)CC2)N(CC)C(=O)N[C@@H]1c1cc(OC)cc(OC)c1	ZINC000101151605	554657413	/nfs/dbraw/zinc/65/74/13/554657413.db2.gz	FMHYQCDRDZXCAP-AREMUKBSSA-N	0	0	554.619	3.204	50	0		KGAARN
COc1ccc(C(=O)Nc2ccc(N3CCN(C(=O)c4ccc(OC)cc4)CC3)c(C(=O)N3CCOCC3)c2)cc1	ZINC000101152439	554657481	/nfs/dbraw/zinc/65/74/81/554657481.db2.gz	QNWMQVNLRKCOPQ-UHFFFAOYSA-N	0	0	558.635	3.391	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)c3ccccc3Cl)CC2)N(C)C(=O)N[C@@H]1c1ccc(OC)c(OC)c1	ZINC000101152866	554657843	/nfs/dbraw/zinc/65/78/43/554657843.db2.gz	IPNPSRUHBRBZRB-RUZDIDTESA-N	0	0	557.047	3.329	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)c3ccccc3Cl)CC2)N(C)C(=O)N[C@H]1c1ccc(OC)c(OC)c1	ZINC000101152870	554657821	/nfs/dbraw/zinc/65/78/21/554657821.db2.gz	IPNPSRUHBRBZRB-VWLOTQADSA-N	0	0	557.047	3.329	50	0		KGAARN
COCCN(CC(=O)Nc1ccc(N2CCN(C(=O)c3ccc(OC)cc3)CC2)cc1)C(=O)c1ccc(OC)cc1	ZINC000101153050	554657805	/nfs/dbraw/zinc/65/78/05/554657805.db2.gz	WNYMYNVAUICIPI-UHFFFAOYSA-N	0	0	560.651	3.394	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)c3cccc(F)c3)[C@H](C)C2)N(C)C(=O)N[C@@H]1c1ccc(OC)c(OC)c1	ZINC000101153216	554657818	/nfs/dbraw/zinc/65/78/18/554657818.db2.gz	KLILGMKKNXOZSG-WXTAPIANSA-N	0	0	554.619	3.203	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)c3cccc(F)c3)[C@H](C)C2)N(C)C(=O)N[C@H]1c1ccc(OC)c(OC)c1	ZINC000101153218	554657848	/nfs/dbraw/zinc/65/78/48/554657848.db2.gz	KLILGMKKNXOZSG-DWXRJYCRSA-N	0	0	554.619	3.203	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)c3ccccc3F)[C@H](C)C2)N(C)C(=O)N[C@@H]1c1cc(OC)ccc1OC	ZINC000101153411	554658058	/nfs/dbraw/zinc/65/80/58/554658058.db2.gz	LARPFDDNTRLIEL-WXTAPIANSA-N	0	0	554.619	3.203	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)c3ccccc3F)[C@H](C)C2)N(C)C(=O)N[C@H]1c1cc(OC)ccc1OC	ZINC000101153412	554657974	/nfs/dbraw/zinc/65/79/74/554657974.db2.gz	LARPFDDNTRLIEL-DWXRJYCRSA-N	0	0	554.619	3.203	50	0		KGAARN
COCCN(CC(=O)Nc1ccc(N2CCN(C(=O)c3ccc(C)cc3)CC2)cc1)C(=O)c1ccc2c(c1)OCO2	ZINC000101153598	554657969	/nfs/dbraw/zinc/65/79/69/554657969.db2.gz	BKHBTSUEYXHZPN-UHFFFAOYSA-N	0	0	558.635	3.413	50	0		KGAARN
CCOC(=O)C1=C(CN2CCCN(C(=O)c3ccc(C)cc3)CC2)N(C)C(=O)N[C@@H]1c1cc(OC)ccc1OC	ZINC000101153607	554658000	/nfs/dbraw/zinc/65/80/00/554658000.db2.gz	QPOKLACODBWYMF-HHHXNRCGSA-N	0	0	550.656	3.374	50	0		KGAARN
CCOC(=O)C1=C(CN2CCCN(C(=O)c3ccc(C)cc3)CC2)N(C)C(=O)N[C@H]1c1cc(OC)ccc1OC	ZINC000101153613	554658089	/nfs/dbraw/zinc/65/80/89/554658089.db2.gz	QPOKLACODBWYMF-MHZLTWQESA-N	0	0	550.656	3.374	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)c3ccccc3F)[C@H](C)C2)N(C)C(=O)N[C@@H]1c1cc(OC)cc(OC)c1	ZINC000101153742	554658033	/nfs/dbraw/zinc/65/80/33/554658033.db2.gz	IANFOYUXCMZKHM-WXTAPIANSA-N	0	0	554.619	3.203	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)c3ccccc3F)[C@H](C)C2)N(C)C(=O)N[C@H]1c1cc(OC)cc(OC)c1	ZINC000101153746	554658085	/nfs/dbraw/zinc/65/80/85/554658085.db2.gz	IANFOYUXCMZKHM-DWXRJYCRSA-N	0	0	554.619	3.203	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)c3cccc(F)c3)[C@H](C)C2)N(C)C(=O)N[C@@H]1c1cc(OC)cc(OC)c1	ZINC000101153749	554658104	/nfs/dbraw/zinc/65/81/04/554658104.db2.gz	BSLQKXZKLBGHSY-WXTAPIANSA-N	0	0	554.619	3.203	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)c3cccc(F)c3)[C@H](C)C2)N(C)C(=O)N[C@H]1c1cc(OC)cc(OC)c1	ZINC000101153750	554658063	/nfs/dbraw/zinc/65/80/63/554658063.db2.gz	BSLQKXZKLBGHSY-DWXRJYCRSA-N	0	0	554.619	3.203	50	0		KGAARN
CCOC(=O)C1=C(CN2CCCN(C(=O)c3ccc(OC)cc3)CC2)N(C)C(=O)N[C@@H]1c1ccccc1OC	ZINC000101153797	554658233	/nfs/dbraw/zinc/65/82/33/554658233.db2.gz	GIJFUSKQDHGLER-AREMUKBSSA-N	0	0	536.629	3.065	50	0		KGAARN
CCOC(=O)C1=C(CN2CCCN(C(=O)c3ccc(OC)cc3)CC2)N(C)C(=O)N[C@H]1c1ccccc1OC	ZINC000101153799	554658241	/nfs/dbraw/zinc/65/82/41/554658241.db2.gz	GIJFUSKQDHGLER-SANMLTNESA-N	0	0	536.629	3.065	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)c3ccc(C)cc3)[C@H](C)C2)N(C)C(=O)N[C@@H]1c1cccc(OC)c1OC	ZINC000101153985	554658299	/nfs/dbraw/zinc/65/82/99/554658299.db2.gz	AMSKHVCYBWWWOK-FQRUVTKNSA-N	0	0	550.656	3.372	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)c3ccc(C)cc3)[C@H](C)C2)N(C)C(=O)N[C@H]1c1cccc(OC)c1OC	ZINC000101153987	554658231	/nfs/dbraw/zinc/65/82/31/554658231.db2.gz	AMSKHVCYBWWWOK-IBVKSMDESA-N	0	0	550.656	3.372	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)c3ccc(Cl)cc3)CC2)N(C)C(=O)N[C@@H]1c1cccc(OC)c1OC	ZINC000101153995	554658226	/nfs/dbraw/zinc/65/82/26/554658226.db2.gz	JUBQQDAQQGQADY-XMMPIXPASA-N	0	0	557.047	3.329	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)c3ccc(Cl)cc3)CC2)N(C)C(=O)N[C@H]1c1cccc(OC)c1OC	ZINC000101153997	554658216	/nfs/dbraw/zinc/65/82/16/554658216.db2.gz	JUBQQDAQQGQADY-DEOSSOPVSA-N	0	0	557.047	3.329	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)c3ccccc3)[C@H](C)C2)N(C)C(=O)N[C@@H]1c1cccc(OC)c1OC	ZINC000101154001	554658253	/nfs/dbraw/zinc/65/82/53/554658253.db2.gz	NBXCQCYOLGSMOH-KBMIEXCESA-N	0	0	536.629	3.064	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)c3ccccc3)[C@H](C)C2)N(C)C(=O)N[C@H]1c1cccc(OC)c1OC	ZINC000101154002	554658246	/nfs/dbraw/zinc/65/82/46/554658246.db2.gz	NBXCQCYOLGSMOH-CLOONOSVSA-N	0	0	536.629	3.064	50	0		KGAARN
CCOC(=O)C1=C(CN2CCCN(C(=O)c3ccc4c(c3)OCO4)CC2)N(C)C(=O)N[C@@H]1c1ccccc1C	ZINC000101154162	554658280	/nfs/dbraw/zinc/65/82/80/554658280.db2.gz	VXFHAVCGLHKEBT-AREMUKBSSA-N	0	0	534.613	3.085	50	0		KGAARN
CCOC(=O)C1=C(CN2CCCN(C(=O)c3ccc4c(c3)OCO4)CC2)N(C)C(=O)N[C@H]1c1ccccc1C	ZINC000101154164	554658260	/nfs/dbraw/zinc/65/82/60/554658260.db2.gz	VXFHAVCGLHKEBT-SANMLTNESA-N	0	0	534.613	3.085	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)N(C)C(=O)N[C@@H]1c1ccccc1Cl	ZINC000101154169	554658295	/nfs/dbraw/zinc/65/82/95/554658295.db2.gz	FYDPTFJNLRTQGI-XMMPIXPASA-N	0	0	541.004	3.040	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)N(C)C(=O)N[C@H]1c1ccccc1Cl	ZINC000101154172	554658228	/nfs/dbraw/zinc/65/82/28/554658228.db2.gz	FYDPTFJNLRTQGI-DEOSSOPVSA-N	0	0	541.004	3.040	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)N(CC)C(=O)N[C@H]1c1cc(C)ccc1C	ZINC000101154307	554658224	/nfs/dbraw/zinc/65/82/24/554658224.db2.gz	FGXPNGAERXFILW-MHZLTWQESA-N	0	0	548.640	3.394	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)N(CC)C(=O)N[C@@H]1c1cc(C)ccc1C	ZINC000101154309	554658239	/nfs/dbraw/zinc/65/82/39/554658239.db2.gz	FGXPNGAERXFILW-HHHXNRCGSA-N	0	0	548.640	3.394	50	0		KGAARN
CCOC(=O)C1=C(CN2CCCN(C(=O)C3CCCC3)CC2)N(CC)C(=O)N[C@H]1c1cc(OC)ccc1OC	ZINC000101154311	554658248	/nfs/dbraw/zinc/65/82/48/554658248.db2.gz	DDSBDTVVKSKPJW-SANMLTNESA-N	0	0	542.677	3.332	50	0		KGAARN
CCOC(=O)C1=C(CN2CCCN(C(=O)C3CCCC3)CC2)N(CC)C(=O)N[C@@H]1c1cc(OC)ccc1OC	ZINC000101154313	554658255	/nfs/dbraw/zinc/65/82/55/554658255.db2.gz	DDSBDTVVKSKPJW-AREMUKBSSA-N	0	0	542.677	3.332	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)c3cccc(OC)c3)CC2)N(CC)C(=O)N[C@H]1c1cccc(OC)c1	ZINC000101154316	554658220	/nfs/dbraw/zinc/65/82/20/554658220.db2.gz	MGKGPFGCKNAAAK-SANMLTNESA-N	0	0	536.629	3.065	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)c3cccc(OC)c3)CC2)N(CC)C(=O)N[C@@H]1c1cccc(OC)c1	ZINC000101154317	554658297	/nfs/dbraw/zinc/65/82/97/554658297.db2.gz	MGKGPFGCKNAAAK-AREMUKBSSA-N	0	0	536.629	3.065	50	0		KGAARN
COCCN(CC(=O)Nc1ccc(N2CCN(C(=O)c3ccc(OC)cc3)CC2)cc1)C(=O)c1cccc(OC)c1	ZINC000101154354	554658278	/nfs/dbraw/zinc/65/82/78/554658278.db2.gz	SRSGAINZJWXZPA-UHFFFAOYSA-N	0	0	560.651	3.394	50	0		KGAARN
CC[C@H](C)[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@H](CC(C)C)C(N)=O	ZINC000101160739	554659557	/nfs/dbraw/zinc/65/95/57/554659557.db2.gz	IKFRHSVOZGBHIG-VAFVZNMKSA-N	0	0	529.682	3.151	50	0		KGAARN
COc1ccccc1-n1c(CNC(=O)c2cc(OC)c(OC)c(OC)c2)nnc1SCC(=O)Nc1nccs1	ZINC000101181557	554667070	/nfs/dbraw/zinc/66/70/70/554667070.db2.gz	LTHCLYDTXVKTFU-UHFFFAOYSA-N	0	0	570.653	3.419	50	0		KGAARN
COc1ccc(OC)c(-n2c(CNC(=O)c3ccccc3OC)nnc2SCC(=O)Nc2nccs2)c1	ZINC000101181657	554667274	/nfs/dbraw/zinc/66/72/74/554667274.db2.gz	VWHQLAYTWSUEPC-UHFFFAOYSA-N	0	0	540.627	3.410	50	0		KGAARN
COc1cccc(C(=O)NCc2nnc(SCC(=O)Nc3nccs3)n2-c2cc(OC)ccc2OC)c1	ZINC000101181727	554667295	/nfs/dbraw/zinc/66/72/95/554667295.db2.gz	XNVWDIWQUQLZPM-UHFFFAOYSA-N	0	0	540.627	3.410	50	0		KGAARN
COc1ccc(S(=O)(=O)N(c2c(C)cnn2-c2ccccn2)S(=O)(=O)c2ccc(OC)c(F)c2)cc1F	ZINC000101183338	554668719	/nfs/dbraw/zinc/66/87/19/554668719.db2.gz	CDCVDOFSFBPXSI-UHFFFAOYSA-N	0	0	550.565	3.455	50	0		KGAARN
CC(=O)Oc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2c4ccccc4C=CN2[C@@H]3C(=O)Nc2ccc3c(c2)OCO3)cc1	ZINC000101184145	554668630	/nfs/dbraw/zinc/66/86/30/554668630.db2.gz	UOCJTMWUBLXYND-XUJYPJAKSA-N	0	0	537.528	3.495	50	0		KGAARN
CC(=O)Oc1ccc(N2C(=O)[C@H]3[C@@H](C(=O)Nc4ccc5c(c4)OCO5)N4C=Cc5ccccc5[C@@H]4[C@H]3C2=O)cc1	ZINC000101184147	554668654	/nfs/dbraw/zinc/66/86/54/554668654.db2.gz	UOCJTMWUBLXYND-YAOOYPAMSA-N	0	0	537.528	3.495	50	0		KGAARN
COc1ccc(-n2nc(C(=O)NCC(=O)N3CCN(c4ccccc4)CC3)c3ccccc3c2=O)cc1Cl	ZINC000101187631	554669659	/nfs/dbraw/zinc/66/96/59/554669659.db2.gz	OFJWVWCWHRJIGF-UHFFFAOYSA-N	0	0	532.000	3.126	50	0		KGAARN
COc1ccc(-n2nc(C(=O)NCC(=O)N3CCN(c4ccccc4OC)CC3)c3ccccc3c2=O)cc1Cl	ZINC000101187660	554669636	/nfs/dbraw/zinc/66/96/36/554669636.db2.gz	ISLCROZEYIVSIJ-UHFFFAOYSA-N	0	0	562.026	3.135	50	0		KGAARN
COc1ccc(-n2nc(C(=O)NCC(=O)Nc3cc(Cl)c(OC)cc3OC)c3ccccc3c2=O)c(OC)c1	ZINC000101187899	554669771	/nfs/dbraw/zinc/66/97/71/554669771.db2.gz	VYQJAZIHOJANIH-UHFFFAOYSA-N	0	0	552.971	3.442	50	0		KGAARN
COc1ccc(-n2nc(C(=O)NCC(=O)N3CCN(c4ccc(F)cc4)CC3)c3ccccc3c2=O)cc1Cl	ZINC000101188011	554669838	/nfs/dbraw/zinc/66/98/38/554669838.db2.gz	FWWIJEZEROOLSJ-UHFFFAOYSA-N	0	0	549.990	3.265	50	0		KGAARN
COc1ccc(-n2nc(C(=O)NCC(=O)N3CCN(Cc4ccccc4)CC3)c3ccccc3c2=O)cc1Cl	ZINC000101188411	554669814	/nfs/dbraw/zinc/66/98/14/554669814.db2.gz	VKYXFMSOZCQNPB-UHFFFAOYSA-N	0	0	546.027	3.122	50	0		KGAARN
COc1ccc(-n2nc(C(=O)NCC(=O)Nc3cc(Cl)c(OC)cc3OC)c3ccccc3c2=O)cc1OC	ZINC000101188487	554669765	/nfs/dbraw/zinc/66/97/65/554669765.db2.gz	BOZDNKWCVRDAJV-UHFFFAOYSA-N	0	0	552.971	3.442	50	0		KGAARN
COc1ccc(-n2nc(C(=O)NCC(=O)N3CCN(c4cccc(Cl)c4)CC3)c3ccccc3c2=O)cc1OC	ZINC000101188532	554669778	/nfs/dbraw/zinc/66/97/78/554669778.db2.gz	LAZQJLAOWNVLRV-UHFFFAOYSA-N	0	0	562.026	3.135	50	0		KGAARN
COc1ccc2nc(NC(=O)CNC(=O)c3nn(-c4ccc(OC)c(OC)c4)c(=O)c4ccccc43)sc2c1	ZINC000101189011	554670058	/nfs/dbraw/zinc/67/00/58/554670058.db2.gz	QYHJVGPUAPKWKS-UHFFFAOYSA-N	0	0	545.577	3.390	50	0		KGAARN
COc1cc(OC)c(NC(=O)Cn2cnc3ccc(S(=O)(=O)N4CCC(C)CC4)cc3c2=O)cc1Cl	ZINC000101190924	554670543	/nfs/dbraw/zinc/67/05/43/554670543.db2.gz	MCQOSPZHJGVTBJ-UHFFFAOYSA-N	0	0	535.022	3.126	50	0		KGAARN
COc1ccc(CN2C(=O)[C@H]3[C@@H](C(=O)Nc4cccc(OC)c4)[C@H]4C=C[C@@]3(O4)[C@H]2C(=O)NC2CCCCC2)cc1	ZINC000101203037	554673440	/nfs/dbraw/zinc/67/34/40/554673440.db2.gz	RWPVWQMZQQNKOO-KBBGZRRDSA-N	0	0	545.636	3.442	50	0	biogenic	KGAARN
COc1ccc(CN2C(=O)[C@H]3[C@@H](C(=O)Nc4cccc(OC)c4)[C@H]4C=C[C@@]3(O4)[C@@H]2C(=O)NC2CCCCC2)cc1	ZINC000101203040	554673428	/nfs/dbraw/zinc/67/34/28/554673428.db2.gz	RWPVWQMZQQNKOO-YQXAMQIPSA-N	0	0	545.636	3.442	50	0	biogenic	KGAARN
COc1ccc(CN2C(=O)[C@H]3[C@@H](C(=O)Nc4ccc(OC)cc4)[C@H]4C=C[C@@]3(O4)[C@H]2C(=O)NC2CCCCC2)cc1	ZINC000101203501	554673705	/nfs/dbraw/zinc/67/37/05/554673705.db2.gz	UVIZGZCLJQQECW-KBBGZRRDSA-N	0	0	545.636	3.442	50	0	biogenic	KGAARN
COc1ccc(CN2C(=O)[C@H]3[C@@H](C(=O)Nc4ccc(OC)cc4)[C@H]4C=C[C@@]3(O4)[C@@H]2C(=O)NC2CCCCC2)cc1	ZINC000101203505	554673711	/nfs/dbraw/zinc/67/37/11/554673711.db2.gz	UVIZGZCLJQQECW-YQXAMQIPSA-N	0	0	545.636	3.442	50	0	biogenic	KGAARN
CCOCCCN1C(=O)[C@H]2[C@@H](C(=O)Nc3ccc(Br)cc3)[C@H]3C=C[C@@]2(O3)[C@H]1C(=O)NC1CCCCC1	ZINC000101205905	554675771	/nfs/dbraw/zinc/67/57/71/554675771.db2.gz	YNXVEWOOKCOBJO-UETMDFGDSA-N	0	0	560.489	3.414	50	0	biogenic	KGAARN
CCOCCCN1C(=O)[C@H]2[C@@H](C(=O)Nc3ccc(Br)cc3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)NC1CCCCC1	ZINC000101205906	554675785	/nfs/dbraw/zinc/67/57/85/554675785.db2.gz	YNXVEWOOKCOBJO-ZKWJSJOJSA-N	0	0	560.489	3.414	50	0	biogenic	KGAARN
COCCCN1C(=O)[C@H]2[C@@H](C(=O)Nc3ccc(Br)cc3)[C@H]3C=C[C@@]2(O3)[C@H]1C(=O)NC1CCCCC1	ZINC000101205922	554675795	/nfs/dbraw/zinc/67/57/95/554675795.db2.gz	QFVPBKRUBKSLIO-IPPNUHETSA-N	0	0	546.462	3.024	50	0	biogenic	KGAARN
COCCCN1C(=O)[C@H]2[C@@H](C(=O)Nc3ccc(Br)cc3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)NC1CCCCC1	ZINC000101205925	554675811	/nfs/dbraw/zinc/67/58/11/554675811.db2.gz	QFVPBKRUBKSLIO-WGMIXOHXSA-N	0	0	546.462	3.024	50	0	biogenic	KGAARN
O=C(Nc1ccc2c(c1)OCO2)[C@@H]1[C@@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@@H]2[C@@H]2c3ccccc3C=CN21	ZINC000101208039	554677394	/nfs/dbraw/zinc/67/73/94/554677394.db2.gz	NNAMYKHIRRRNHR-XUJYPJAKSA-N	0	0	537.528	3.341	50	0		KGAARN
O=C(Nc1ccc2c(c1)OCO2)[C@@H]1[C@@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@@H]2[C@H]2c3ccccc3C=CN12	ZINC000101208047	554677355	/nfs/dbraw/zinc/67/73/55/554677355.db2.gz	NNAMYKHIRRRNHR-YAOOYPAMSA-N	0	0	537.528	3.341	50	0		KGAARN
COc1ccc(Cl)cc1N1CCN(Cc2cc(=O)[nH]c(N3CCN(C(=O)c4cccc(Br)c4)CC3)n2)CC1	ZINC000101209189	554678271	/nfs/dbraw/zinc/67/82/71/554678271.db2.gz	BLKSLUQLTXGECD-UHFFFAOYSA-N	0	0	601.933	3.479	50	0		KGAARN
COc1ccc(C(=O)N2CCCN(c3nc(CN4CCN(Cc5ccc(Cl)cc5)CC4)cc(=O)[nH]3)CC2)cc1	ZINC000101209490	554678234	/nfs/dbraw/zinc/67/82/34/554678234.db2.gz	HVDPWPXHUPVRRW-UHFFFAOYSA-N	0	0	551.091	3.102	50	0		KGAARN
COc1ccc(Cl)cc1N1CCN(Cc2cc(=O)[nH]c(N3CCN(C(=O)c4ccccc4C)CC3)n2)CC1	ZINC000101209901	554678533	/nfs/dbraw/zinc/67/85/33/554678533.db2.gz	BEDYWQJDKFRMHY-UHFFFAOYSA-N	0	0	537.064	3.025	50	0		KGAARN
O=C(Nc1ccc2c(c1)OCO2)[C@@H]1[C@@H]2C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@@H]2[C@@H]2c3ccccc3C=CN21	ZINC000101210651	554679291	/nfs/dbraw/zinc/67/92/91/554679291.db2.gz	RIZPNLASTUJFMG-QYOOZWMWSA-N	0	0	523.501	3.298	50	0		KGAARN
O=C(Nc1ccc2c(c1)OCO2)[C@@H]1[C@@H]2C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@@H]2[C@H]2c3ccccc3C=CN12	ZINC000101210654	554679237	/nfs/dbraw/zinc/67/92/37/554679237.db2.gz	RIZPNLASTUJFMG-QUMGSSFMSA-N	0	0	523.501	3.298	50	0		KGAARN
COc1ccccc1N1CCN(Cc2cc(=O)[nH]c(N3CCN(C(=O)c4ccc(C(F)(F)F)cc4)CC3)n2)CC1	ZINC000101210809	554679227	/nfs/dbraw/zinc/67/92/27/554679227.db2.gz	AFDAVZXOTHJNGW-UHFFFAOYSA-N	0	0	556.589	3.082	50	0		KGAARN
COc1cccc(N2CCN(Cc3cc(=O)[nH]c(N4CCN(C(=O)c5ccc(C(C)(C)C)cc5)CC4)n3)CC2)c1	ZINC000101210854	554679560	/nfs/dbraw/zinc/67/95/60/554679560.db2.gz	OORLSMKVJAKFRN-UHFFFAOYSA-N	0	0	544.700	3.361	50	0		KGAARN
Cc1ccc(C)c(N2CCN(Cc3cc(=O)[nH]c(N4CCN(C(=O)COc5ccc(Cl)cc5)CC4)n3)CC2)c1	ZINC000101212301	554679486	/nfs/dbraw/zinc/67/94/86/554679486.db2.gz	IQQWRRYPUAJCOI-UHFFFAOYSA-N	0	0	551.091	3.090	50	0		KGAARN
CCOC(=O)c1sc(NC(=O)CSc2nnc(CNC(=O)c3cccc(OC)c3)n2C)c(C(=O)OCC)c1C	ZINC000101218569	554685645	/nfs/dbraw/zinc/68/56/45/554685645.db2.gz	BPVZAUUWEJXDDV-UHFFFAOYSA-N	0	0	575.669	3.208	50	0		KGAARN
CCOC(=O)c1ccccc1NC(=O)Cn1cnc2sc(C)c(S(=O)(=O)N3CCN(c4ccccc4OC)CC3)c2c1=O	ZINC000101222783	554687830	/nfs/dbraw/zinc/68/78/30/554687830.db2.gz	DBLIQMMDAJRJQK-UHFFFAOYSA-N	0	0	625.729	3.101	50	0		KGAARN
COc1cc(C(=O)N2CCN(C[C@@H]3CN(C(=O)c4ccc(Cl)c(Cl)c4)CCO3)CC2)cc(OC)c1OC	ZINC000101247156	554693602	/nfs/dbraw/zinc/69/36/02/554693602.db2.gz	CYGKKEGNGFCIDK-LJQANCHMSA-N	0	0	552.455	3.318	50	0		KGAARN
COc1cc(C(=O)N2CCN(C[C@H]3CN(C(=O)c4ccc(Cl)c(Cl)c4)CCO3)CC2)cc(OC)c1OC	ZINC000101247159	554693609	/nfs/dbraw/zinc/69/36/09/554693609.db2.gz	CYGKKEGNGFCIDK-IBGZPJMESA-N	0	0	552.455	3.318	50	0		KGAARN
CCCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(C(=O)OCC)cc3)C(=S)N2CCNC(C)=O)cc1	ZINC000101254518	554694887	/nfs/dbraw/zinc/69/48/87/554694887.db2.gz	XSDGYVNRZRDKBV-HSZRJFAPSA-N	0	0	540.642	3.119	50	0		KGAARN
CCCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(C(=O)OCC)cc3)C(=S)N2CCNC(C)=O)cc1	ZINC000101254521	554694889	/nfs/dbraw/zinc/69/48/89/554694889.db2.gz	XSDGYVNRZRDKBV-QHCPKHFHSA-N	0	0	540.642	3.119	50	0		KGAARN
COc1ccc(NC(=O)Cn2cnc3sc(C)c(S(=O)(=O)N4C[C@H](C)C[C@H](C)C4)c3c2=O)c(OC)c1	ZINC000101266602	554698954	/nfs/dbraw/zinc/69/89/54/554698954.db2.gz	UNXLXKHINUPFAP-GASCZTMLSA-N	0	0	534.660	3.089	50	0		KGAARN
COc1ccc(NC(=O)Cn2cnc3sc(C)c(S(=O)(=O)N4C[C@@H](C)C[C@H](C)C4)c3c2=O)c(OC)c1	ZINC000101266605	554698946	/nfs/dbraw/zinc/69/89/46/554698946.db2.gz	UNXLXKHINUPFAP-GJZGRUSLSA-N	0	0	534.660	3.089	50	0		KGAARN
COc1ccc(NC(=O)Cn2cnc3sc(C)c(S(=O)(=O)N4C[C@H](C)C[C@@H](C)C4)c3c2=O)c(OC)c1	ZINC000101266607	554699031	/nfs/dbraw/zinc/69/90/31/554699031.db2.gz	UNXLXKHINUPFAP-HUUCEWRRSA-N	0	0	534.660	3.089	50	0		KGAARN
COc1cc(NC(=O)Cn2cnc3sc(C)c(S(=O)(=O)N4C[C@H](C)C[C@H](C)C4)c3c2=O)cc(OC)c1OC	ZINC000101266623	554699257	/nfs/dbraw/zinc/69/92/57/554699257.db2.gz	IZYGSSDNCRHTIB-GASCZTMLSA-N	0	0	564.686	3.098	50	0		KGAARN
COc1cc(NC(=O)Cn2cnc3sc(C)c(S(=O)(=O)N4C[C@@H](C)C[C@H](C)C4)c3c2=O)cc(OC)c1OC	ZINC000101266625	554699217	/nfs/dbraw/zinc/69/92/17/554699217.db2.gz	IZYGSSDNCRHTIB-GJZGRUSLSA-N	0	0	564.686	3.098	50	0		KGAARN
COc1cc(NC(=O)Cn2cnc3sc(C)c(S(=O)(=O)N4C[C@H](C)C[C@@H](C)C4)c3c2=O)cc(OC)c1OC	ZINC000101266627	554699210	/nfs/dbraw/zinc/69/92/10/554699210.db2.gz	IZYGSSDNCRHTIB-HUUCEWRRSA-N	0	0	564.686	3.098	50	0		KGAARN
CC(=O)c1cccc(N(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)[C@@H](C(=O)NC2CCCCC2)c2cn(C)nc2C)c1	ZINC000101266628	554699230	/nfs/dbraw/zinc/69/92/30/554699230.db2.gz	NXGMDORFCXIEEQ-MUUNZHRXSA-N	0	0	591.690	3.299	50	0		KGAARN
CC(=O)c1cccc(N(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)[C@H](C(=O)NC2CCCCC2)c2cn(C)nc2C)c1	ZINC000101266630	554699213	/nfs/dbraw/zinc/69/92/13/554699213.db2.gz	NXGMDORFCXIEEQ-NDEPHWFRSA-N	0	0	591.690	3.299	50	0		KGAARN
COc1cc2c(cc1OC)n(CC(=O)Nc1ccc(C)c(F)c1)c(=O)n(CCCC(=O)NC1CCCC1)c2=O	ZINC000101267704	554699552	/nfs/dbraw/zinc/69/95/52/554699552.db2.gz	OWCNZYXTCMWTSG-UHFFFAOYSA-N	0	0	540.592	3.106	50	0		KGAARN
COc1ccc(NC(=O)CCCn2c(=O)c3sccc3n(CC(=O)NCCc3ccc(OC)c(OC)c3)c2=O)cc1	ZINC000101269501	554700476	/nfs/dbraw/zinc/70/04/76/554700476.db2.gz	GTGRACOUSBYGJW-UHFFFAOYSA-N	0	0	580.663	3.028	50	0		KGAARN
COC(=O)c1ccccc1NC(=O)Cn1c2ccsc2c(=O)n(CCCC(=O)Nc2ccc(OC)cc2)c1=O	ZINC000101269514	554700490	/nfs/dbraw/zinc/70/04/90/554700490.db2.gz	GQRQXRZSJLVYCN-UHFFFAOYSA-N	0	0	550.593	3.078	50	0		KGAARN
CCOC(=O)N1CCc2c(sc3c2c(=O)n(-c2ccccc2)c(=O)n3CC(=O)Nc2ccc(OC)cc2)C1	ZINC000101270464	554700779	/nfs/dbraw/zinc/70/07/79/554700779.db2.gz	OLSPQRQTCMUQDK-UHFFFAOYSA-N	0	0	534.594	3.376	50	0		KGAARN
CCOc1ccc(NC(=O)Cn2c3sc4c(c3c(=O)n(-c3cccc(C)c3)c2=O)CCN(C(C)=O)C4)cc1	ZINC000101271588	554700780	/nfs/dbraw/zinc/70/07/80/554700780.db2.gz	XQOFQXCPAMFPTP-UHFFFAOYSA-N	0	0	532.622	3.464	50	0		KGAARN
COc1cc2c(cc1OC)n(CC(=O)N1CCCCC1)c(=O)n(Cc1ccc(C(=O)NCCC(C)C)cc1)c2=O	ZINC000101273624	554701911	/nfs/dbraw/zinc/70/19/11/554701911.db2.gz	XPVNSLUNRIIEOY-UHFFFAOYSA-N	0	0	550.656	3.017	50	0		KGAARN
CCOc1ccc(CCNC(=O)Cn2c3c(C)nn(CC)c3c(=O)n(Cc3ccc(F)cc3)c2=O)cc1OCC	ZINC000101273952	554702089	/nfs/dbraw/zinc/70/20/89/554702089.db2.gz	BAAXMBWRUIJOOA-UHFFFAOYSA-N	0	0	551.619	3.032	50	0		KGAARN
CCOc1ccc(CCNC(=O)Cn2c3c(C)nn(CC)c3c(=O)n(CCc3ccccc3)c2=O)cc1OCC	ZINC000101274022	554702092	/nfs/dbraw/zinc/70/20/92/554702092.db2.gz	OQMBAEOUOABSSD-UHFFFAOYSA-N	0	0	547.656	3.087	50	0		KGAARN
COc1ccc(NC(=O)Cn2c3ccccc3c(=O)n(CCCCC(=O)NC3CCCCC3)c2=O)c(OC)c1	ZINC000101274749	554702332	/nfs/dbraw/zinc/70/23/32/554702332.db2.gz	ZFUWCAPWGHLUAI-UHFFFAOYSA-N	0	0	536.629	3.438	50	0		KGAARN
COc1ccc(OC)c(NC(=O)Cn2c3ccccc3c(=O)n(CCCCC(=O)NC3CCCCC3)c2=O)c1	ZINC000101274752	554702325	/nfs/dbraw/zinc/70/23/25/554702325.db2.gz	NSWURODDWYRYKG-UHFFFAOYSA-N	0	0	536.629	3.438	50	0		KGAARN
COc1cc(NC(=O)Cn2c3ccccc3c(=O)n(CCCCC(=O)NC3CCCCC3)c2=O)cc(OC)c1	ZINC000101274764	554702374	/nfs/dbraw/zinc/70/23/74/554702374.db2.gz	UUWVSIUBZWJQTQ-UHFFFAOYSA-N	0	0	536.629	3.438	50	0		KGAARN
COc1ccc(OC)c(NC(=O)Cn2c3ccccc3c(=O)n(CCCCC(=O)NCc3cccs3)c2=O)c1	ZINC000101274854	554702329	/nfs/dbraw/zinc/70/23/29/554702329.db2.gz	DEWUMMRCHYGZMM-UHFFFAOYSA-N	0	0	550.637	3.367	50	0		KGAARN
O=C(Cn1nc2n(c3ccsc3c(=O)n2Cc2cccs2)c1=O)Nc1ccc(Br)cc1	ZINC000101277407	554703856	/nfs/dbraw/zinc/70/38/56/554703856.db2.gz	FIUQNQPHJCFHSH-UHFFFAOYSA-N	0	0	516.402	3.383	50	0		KGAARN
Nc1c2c(nn1-c1ccc(Cl)cc1)nc(N1CCN(C(=O)[C@@H]3CCCO3)CC1)nc2-c1ccc2c(c1)OCO2	ZINC000101281764	554705529	/nfs/dbraw/zinc/70/55/29/554705529.db2.gz	HUPZNCCIIDKQOO-FQEVSTJZSA-N	0	0	548.003	3.274	50	0		KGAARN
Nc1c2c(nn1-c1ccc(Cl)cc1)nc(N1CCN(C(=O)[C@H]3CCCO3)CC1)nc2-c1ccc2c(c1)OCO2	ZINC000101281767	554705457	/nfs/dbraw/zinc/70/54/57/554705457.db2.gz	HUPZNCCIIDKQOO-HXUWFJFHSA-N	0	0	548.003	3.274	50	0		KGAARN
COc1ccc([C@@H]2[NH2+][C@](Cc3ccccc3)(C(=O)[O-])[C@@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@H]23)c(OC)c1OC	ZINC000101286238	554705727	/nfs/dbraw/zinc/70/57/27/554705727.db2.gz	HXJVOVUNGVMDGD-VCTIXIOLSA-N	0	0	534.540	3.368	50	0		KGAARN
COc1ccc([C@@H]2[NH2+][C@](Cc3ccccc3)(C(=O)[O-])[C@@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@@H]23)c(OC)c1OC	ZINC000101286245	554705706	/nfs/dbraw/zinc/70/57/06/554705706.db2.gz	HXJVOVUNGVMDGD-NXRFZHLESA-N	0	0	534.540	3.368	50	0		KGAARN
O=C(CS(=O)(=O)c1oc(-c2ccc(Cl)cc2)nc1S(=O)(=O)c1ccc(Cl)cc1)N1CCOCC1	ZINC000101295092	554711781	/nfs/dbraw/zinc/71/17/81/554711781.db2.gz	HLLFOLAUHJAWMT-UHFFFAOYSA-N	0	0	545.422	3.114	50	0		KGAARN
CCCN(C(=O)Cn1cnc2sc(C)c(S(=O)(=O)N3CCN(c4ncccn4)CC3)c2c1=O)c1ccc(CC)cc1	ZINC000101304718	554714648	/nfs/dbraw/zinc/71/46/48/554714648.db2.gz	AHRCTBNIDRZITN-UHFFFAOYSA-N	0	0	595.751	3.073	50	0		KGAARN
COc1ccc(NC(=O)Cn2c3ccccc3c(=O)n(CCCC(=O)NCc3ccc4c(c3)OCO4)c2=O)cc1Cl	ZINC000101304945	554714830	/nfs/dbraw/zinc/71/48/30/554714830.db2.gz	CNXDOHXWZGGIHV-UHFFFAOYSA-N	0	0	579.009	3.289	50	0		KGAARN
COC(=O)c1ccc(NC(=O)Cn2c(C)cc(C)c(S(=O)(=O)c3ccc(Br)cc3)c2=O)cc1	ZINC000101309941	554716758	/nfs/dbraw/zinc/71/67/58/554716758.db2.gz	QGNXVSJNWIOFPV-UHFFFAOYSA-N	0	0	533.400	3.486	50	0		KGAARN
Cc1cc(C)n(CC(=O)NCc2ccc3c(c2)OCO3)c(=O)c1S(=O)(=O)c1ccc(Br)cc1	ZINC000101309977	554717126	/nfs/dbraw/zinc/71/71/26/554717126.db2.gz	JAXCLMTXQRGULW-UHFFFAOYSA-N	0	0	533.400	3.106	50	0		KGAARN
COc1ccc([C@@H]2[NH2+][C@](Cc3ccccc3)(C(=O)[O-])[C@@H]3C(=O)N(c4ccccc4OC)C(=O)[C@H]23)c(OC)c1	ZINC000101314379	554722657	/nfs/dbraw/zinc/72/26/57/554722657.db2.gz	DEUAGWIKHKNXBA-MGQBIDJDSA-N	0	0	516.550	3.229	50	0		KGAARN
COc1ccc([C@@H]2[NH2+][C@](Cc3ccccc3)(C(=O)[O-])[C@@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@H]23)c(OC)c1	ZINC000101314413	554722676	/nfs/dbraw/zinc/72/26/76/554722676.db2.gz	KJKSCFDLJSDJAM-TVQWTUMOSA-N	0	0	504.514	3.359	50	0		KGAARN
COc1ccc([C@@H]2[NH2+][C@](Cc3ccccc3)(C(=O)[O-])[C@@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@H]23)cc1OC	ZINC000101314727	554722983	/nfs/dbraw/zinc/72/29/83/554722983.db2.gz	NBBGGRUKOQSQIY-TVQWTUMOSA-N	0	0	504.514	3.359	50	0		KGAARN
COc1ccc(NC(=O)Cn2c3ccsc3c(=O)n(CCC(=O)NCc3ccccc3)c2=O)cc1Cl	ZINC000101318291	554725429	/nfs/dbraw/zinc/72/54/29/554725429.db2.gz	GCDMLVNIZVSJRN-UHFFFAOYSA-N	0	0	527.002	3.232	50	0		KGAARN
COc1ccc(Cl)cc1NC(=O)Cn1c2ccsc2c(=O)n(CCC(=O)NCc2ccccc2)c1=O	ZINC000101318313	554725388	/nfs/dbraw/zinc/72/53/88/554725388.db2.gz	AKHGLKARALVDFG-UHFFFAOYSA-N	0	0	527.002	3.232	50	0		KGAARN
Cc1cc(C)c(NC(=O)Cn2c3ccsc3c(=O)n(CCC(=O)NCc3ccc4c(c3)OCO4)c2=O)c(C)c1	ZINC000101318396	554725439	/nfs/dbraw/zinc/72/54/39/554725439.db2.gz	JOXKWGDNUMKDOA-UHFFFAOYSA-N	0	0	548.621	3.224	50	0		KGAARN
COc1ccc(CCNC(=O)Cn2c3ccsc3c(=O)n(CCCC(=O)NCc3ccc(C)cc3)c2=O)cc1OC	ZINC000101318437	554725452	/nfs/dbraw/zinc/72/54/52/554725452.db2.gz	MWLCJEZLGRRHDI-UHFFFAOYSA-N	0	0	578.691	3.006	50	0		KGAARN
CCOC(=O)c1ccccc1NC(=O)Cn1c2ccsc2c(=O)n(CCCC(=O)NCc2ccc(C)cc2)c1=O	ZINC000101318484	554725460	/nfs/dbraw/zinc/72/54/60/554725460.db2.gz	TZTDNWHYFNNHKO-UHFFFAOYSA-N	0	0	562.648	3.445	50	0		KGAARN
O=C(CCCn1c(=O)c2sccc2n(CC(=O)c2ccc(F)cc2)c1=O)NCc1ccc2c(c1)OCO2	ZINC000101318554	554725791	/nfs/dbraw/zinc/72/57/91/554725791.db2.gz	GOVHDGCESDPCBV-UHFFFAOYSA-N	0	0	523.542	3.072	50	0		KGAARN
O=C(CCCn1c(=O)c2sccc2n(CC(=O)NCCC2=CCCCC2)c1=O)NCc1ccc2c(c1)OCO2	ZINC000101318561	554725624	/nfs/dbraw/zinc/72/56/24/554725624.db2.gz	HGXAQYNTNZRZMG-UHFFFAOYSA-N	0	0	552.653	3.057	50	0		KGAARN
CCN(Cc1ccccc1)C(=O)Cn1c2ccsc2c(=O)n(CCCC(=O)NCc2ccc3c(c2)OCO3)c1=O	ZINC000101318646	554725995	/nfs/dbraw/zinc/72/59/95/554725995.db2.gz	OFOYDPBGXAZKIH-UHFFFAOYSA-N	0	0	562.648	3.099	50	0		KGAARN
Cc1cccc(C)c1NC(=O)Cn1c2ccsc2c(=O)n(CCCC(=O)NCc2ccc3c(c2)OCO3)c1=O	ZINC000101318677	554725890	/nfs/dbraw/zinc/72/58/90/554725890.db2.gz	CNHDQZYBMAPOTH-UHFFFAOYSA-N	0	0	548.621	3.306	50	0		KGAARN
C[C@@H]1CCCCN1C(=O)Cn1c2ccsc2c(=O)n(CCCCCC(=O)NCc2ccc3c(c2)OCO3)c1=O	ZINC000101318964	554726466	/nfs/dbraw/zinc/72/64/66/554726466.db2.gz	JAWDRRNDHURGAC-LJQANCHMSA-N	0	0	554.669	3.231	50	0		KGAARN
C[C@H]1CCCCN1C(=O)Cn1c2ccsc2c(=O)n(CCCCCC(=O)NCc2ccc3c(c2)OCO3)c1=O	ZINC000101318968	554726451	/nfs/dbraw/zinc/72/64/51/554726451.db2.gz	JAWDRRNDHURGAC-IBGZPJMESA-N	0	0	554.669	3.231	50	0		KGAARN
O=C(CCCCCn1c(=O)c2sccc2n(CC(=O)NC[C@@H]2CCCO2)c1=O)NCc1ccccc1Cl	ZINC000101319073	554726423	/nfs/dbraw/zinc/72/64/23/554726423.db2.gz	FFLKKHQBJRHPKQ-IBGZPJMESA-N	0	0	547.077	3.050	50	0		KGAARN
O=C(CCCCCn1c(=O)c2sccc2n(CC(=O)NC[C@H]2CCCO2)c1=O)NCc1ccccc1Cl	ZINC000101319078	554726443	/nfs/dbraw/zinc/72/64/43/554726443.db2.gz	FFLKKHQBJRHPKQ-LJQANCHMSA-N	0	0	547.077	3.050	50	0		KGAARN
O=C(CCCCCn1c(=O)c2sccc2n(CC(=O)NC2CCCCC2)c1=O)NCc1ccc2c(c1)OCO2	ZINC000101319093	554726664	/nfs/dbraw/zinc/72/66/64/554726664.db2.gz	YMRTYQHEELVFKO-UHFFFAOYSA-N	0	0	554.669	3.279	50	0		KGAARN
COc1ccc(Cl)cc1NC(=O)Cn1c2ccsc2c(=O)n(CC(=O)NCc2ccc(C)cc2)c1=O	ZINC000101319201	554726652	/nfs/dbraw/zinc/72/66/52/554726652.db2.gz	UZSPSPMXKRMPNR-UHFFFAOYSA-N	0	0	527.002	3.150	50	0		KGAARN
Cc1ccc(CNC(=O)Cn2c(=O)c3sccc3n(CC(=O)Nc3ccc(Br)cc3)c2=O)cc1	ZINC000101319220	554726695	/nfs/dbraw/zinc/72/66/95/554726695.db2.gz	FNBHIVIBSDWTBQ-UHFFFAOYSA-N	0	0	541.427	3.251	50	0		KGAARN
CCOC(=O)c1ccccc1NC(=O)Cn1c2ccsc2c(=O)n(CC(=O)NCc2ccccc2Cl)c1=O	ZINC000101319468	554727189	/nfs/dbraw/zinc/72/71/89/554727189.db2.gz	DUAXWYDKTZMKAG-UHFFFAOYSA-N	0	0	555.012	3.010	50	0		KGAARN
COc1ccccc1NC(=O)Cn1c2ccsc2c(=O)n(-c2ccc(CC(=O)NCc3ccco3)cc2)c1=O	ZINC000101319555	554727139	/nfs/dbraw/zinc/72/71/39/554727139.db2.gz	FHHIBNCYCXHVQG-UHFFFAOYSA-N	0	0	544.589	3.313	50	0		KGAARN
O=C(Cc1ccc(-n2c(=O)c3sccc3n(CC(=O)OCc3ccccc3)c2=O)cc1)NCc1ccco1	ZINC000101319572	554727173	/nfs/dbraw/zinc/72/71/73/554727173.db2.gz	IMIUGPBODBATRU-UHFFFAOYSA-N	0	0	529.574	3.409	50	0		KGAARN
O=C(Cc1ccc(-n2c(=O)c3sccc3n(CC(=O)Nc3ccc(F)cc3)c2=O)cc1)NCc1ccco1	ZINC000101319579	554727163	/nfs/dbraw/zinc/72/71/63/554727163.db2.gz	OWLAOXGDSLKVQA-UHFFFAOYSA-N	0	0	532.553	3.444	50	0		KGAARN
COc1ccccc1NC(=O)Cn1c2ccsc2c(=O)n(Cc2ccc(C(=O)NCc3ccco3)cc2)c1=O	ZINC000101319596	554727123	/nfs/dbraw/zinc/72/71/23/554727123.db2.gz	JXFRIDXRKZGLIX-UHFFFAOYSA-N	0	0	544.589	3.443	50	0		KGAARN
CN(C(=O)Cn1c2ccsc2c(=O)n(Cc2ccc(C(=O)NCc3ccco3)cc2)c1=O)c1ccccc1	ZINC000101319694	554727414	/nfs/dbraw/zinc/72/74/14/554727414.db2.gz	JIMKTNLKFCMDDB-UHFFFAOYSA-N	0	0	528.590	3.459	50	0		KGAARN
O=C(CCCCCn1c(=O)c2sccc2n(Cc2cc(=O)n3ccccc3n2)c1=O)NCc1ccccc1	ZINC000101319761	554727390	/nfs/dbraw/zinc/72/73/90/554727390.db2.gz	APBOMNKKSBBMQF-UHFFFAOYSA-N	0	0	529.622	3.158	50	0		KGAARN
O=C(CCCCCn1c(=O)c2sccc2n(Cc2cc(=O)n3ccccc3n2)c1=O)NCc1ccc(F)cc1	ZINC000101319816	554727624	/nfs/dbraw/zinc/72/76/24/554727624.db2.gz	XMWKIGYGVRQALD-UHFFFAOYSA-N	0	0	547.612	3.297	50	0		KGAARN
Cc1ccc(CNC(=O)CCCCCn2c(=O)c3sccc3n(Cc3cc(=O)n4ccccc4n3)c2=O)cc1	ZINC000101319896	554727534	/nfs/dbraw/zinc/72/75/34/554727534.db2.gz	QOWLMSBIEMOAEP-UHFFFAOYSA-N	0	0	543.649	3.466	50	0		KGAARN
COc1ccccc1NC(=O)Cn1c2ccsc2c(=O)n(CCC(=O)NCc2ccccc2Cl)c1=O	ZINC000101319966	554727554	/nfs/dbraw/zinc/72/75/54/554727554.db2.gz	KYNLAAUJEGKTBM-UHFFFAOYSA-N	0	0	527.002	3.232	50	0		KGAARN
COc1cccc(NC(=O)Cn2c3ccsc3c(=O)n(CCC(=O)NCCc3ccc(Cl)cc3)c2=O)c1	ZINC000101320114	554727936	/nfs/dbraw/zinc/72/79/36/554727936.db2.gz	MQBJRLLBAZGEEB-UHFFFAOYSA-N	0	0	541.029	3.274	50	0		KGAARN
O=C(CCn1c(=O)c2sccc2n(CC(=O)Nc2ccccc2F)c1=O)NCCc1ccc(Cl)cc1	ZINC000101320140	554728008	/nfs/dbraw/zinc/72/80/08/554728008.db2.gz	UGFNUBYLIDXBIL-UHFFFAOYSA-N	0	0	528.993	3.405	50	0		KGAARN
COc1ccc(C=O)cc1Cn1c2ccsc2c(=O)n(CCC(=O)NCCc2ccc(Cl)cc2)c1=O	ZINC000101320164	554727929	/nfs/dbraw/zinc/72/79/29/554727929.db2.gz	XCWOQZSWUHRCOZ-UHFFFAOYSA-N	0	0	526.014	3.497	50	0		KGAARN
COc1ccc(-n2c(=O)c3c(C)c(C)sc3n(CC(=O)NCCc3ccc(OC)c(OC)c3)c2=O)c(OC)c1	ZINC000101320249	554728005	/nfs/dbraw/zinc/72/80/05/554728005.db2.gz	VXJDGTPELSXAKP-UHFFFAOYSA-N	0	0	553.637	3.224	50	0		KGAARN
CCOc1ccc(-n2c(=O)c3c4c(sc3n(CC(=O)NCCc3ccc(OC)c(OC)c3)c2=O)CCC4)cc1	ZINC000101326647	554729106	/nfs/dbraw/zinc/72/91/06/554729106.db2.gz	SHHFUVAOTXVOIA-UHFFFAOYSA-N	0	0	549.649	3.477	50	0		KGAARN
O=C(CCCCn1c(=O)c2ccccc2n(CC(=O)NCCC2=CCCCC2)c1=O)NCc1ccc2c(c1)OCO2	ZINC000101329628	554730226	/nfs/dbraw/zinc/73/02/26/554730226.db2.gz	SQXJQYBWTFMYEE-UHFFFAOYSA-N	0	0	560.651	3.385	50	0		KGAARN
O=C(CCCCn1c(=O)c2ccccc2n(CC(=O)NCc2ccco2)c1=O)NCCc1ccc(Cl)cc1	ZINC000101329713	554730491	/nfs/dbraw/zinc/73/04/91/554730491.db2.gz	BBLFCWYBMFTVFI-UHFFFAOYSA-N	0	0	537.016	3.255	50	0		KGAARN
CCOc1ccccc1NC(=O)Cn1c2ccccc2c(=O)n(CCCC(=O)NCc2ccc3c(c2)OCO3)c1=O	ZINC000101329803	554730501	/nfs/dbraw/zinc/73/05/01/554730501.db2.gz	QVHUQRIXNKSPPY-UHFFFAOYSA-N	0	0	558.591	3.026	50	0		KGAARN
COC(=O)c1ccccc1NC(=O)Cn1c2ccccc2c(=O)n(Cc2ccc(C(=O)NCc3ccco3)cc2)c1=O	ZINC000101329829	554730489	/nfs/dbraw/zinc/73/04/89/554730489.db2.gz	AVWKCWIDNGIJKI-UHFFFAOYSA-N	0	0	566.570	3.160	50	0		KGAARN
COc1cccc(NC(=O)Cn2c3ccccc3c(=O)n(Cc3ccc(C(=O)NCc4ccco4)cc3)c2=O)c1	ZINC000101329840	554730487	/nfs/dbraw/zinc/73/04/87/554730487.db2.gz	ICFGQAYTEADXFG-UHFFFAOYSA-N	0	0	538.560	3.382	50	0		KGAARN
COc1ccc(NC(=O)Cn2c3ccccc3c(=O)n(CCC(=O)N3CCc4ccccc4C3)c2=O)cc1Cl	ZINC000101329850	554730470	/nfs/dbraw/zinc/73/04/70/554730470.db2.gz	SOZRXRMCISUPDC-UHFFFAOYSA-N	0	0	547.011	3.439	50	0		KGAARN
NS(=O)(=O)c1ccc(NC(=S)N[C@@H](NC(=O)c2ccccc2Cl)C(Cl)(Cl)Cl)cc1	ZINC000101329985	554730636	/nfs/dbraw/zinc/73/06/36/554730636.db2.gz	FZOPZHKUVUHFFH-CQSZACIVSA-N	0	0	516.259	3.400	50	0		KGAARN
NS(=O)(=O)c1ccc(NC(=S)N[C@H](NC(=O)c2ccccc2Cl)C(Cl)(Cl)Cl)cc1	ZINC000101329987	554730599	/nfs/dbraw/zinc/73/05/99/554730599.db2.gz	FZOPZHKUVUHFFH-AWEZNQCLSA-N	0	0	516.259	3.400	50	0		KGAARN
COc1ccc(CCNC(=O)CCn2c(=O)c3ccccc3n(CC(=O)Nc3c(C)cc(C)cc3C)c2=O)cc1OC	ZINC000101330056	554730876	/nfs/dbraw/zinc/73/08/76/554730876.db2.gz	ZNTKYFXEUFMRCP-UHFFFAOYSA-N	0	0	572.662	3.493	50	0		KGAARN
COc1ccc(CCNC(=O)CCCn2c(=O)c3ccccc3n(CC(=O)NCCC3=CCCCC3)c2=O)cc1OC	ZINC000101330082	554730850	/nfs/dbraw/zinc/73/08/50/554730850.db2.gz	XUAGULHAKURRJK-UHFFFAOYSA-N	0	0	576.694	3.326	50	0		KGAARN
COc1ccc(CCNC(=O)c2ccc(Cn3c(=O)c4ccccc4n(CC(=O)NCc4ccco4)c3=O)cc2)cc1OC	ZINC000101330121	554730881	/nfs/dbraw/zinc/73/08/81/554730881.db2.gz	KEHYHBDVEALYPF-UHFFFAOYSA-N	0	0	596.640	3.111	50	0		KGAARN
CCOC(=O)c1ccccc1NC(=O)Cn1c2ccccc2c(=O)n(CCCCC(=O)NCc2ccccc2OC)c1=O	ZINC000101330298	554730994	/nfs/dbraw/zinc/73/09/94/554730994.db2.gz	GFWUSOKRAJPUMW-UHFFFAOYSA-N	0	0	586.645	3.474	50	0		KGAARN
COc1ccc(CCNC(=O)c2ccc(Cn3c(=O)c4ccccc4n(CC(=O)N4CCC(C)CC4)c3=O)cc2)cc1OC	ZINC000101330436	554731304	/nfs/dbraw/zinc/73/13/04/554731304.db2.gz	KPBZUWFNZKWXLK-UHFFFAOYSA-N	0	0	598.700	3.460	50	0		KGAARN
CCOC(=O)c1ccccc1NC(=O)Cn1c2ccccc2c(=O)n(CCCC(=O)N2CCc3ccccc3C2)c1=O	ZINC000101330522	554731289	/nfs/dbraw/zinc/73/12/89/554731289.db2.gz	SXNUMMNKKVKBKE-UHFFFAOYSA-N	0	0	568.630	3.344	50	0		KGAARN
COc1ccc(Cl)cc1NC(=O)Cn1c2ccccc2c(=O)n(CCC(=O)N2CCc3ccccc3C2)c1=O	ZINC000101330540	554731245	/nfs/dbraw/zinc/73/12/45/554731245.db2.gz	KTSQTTVHPMUEFK-UHFFFAOYSA-N	0	0	547.011	3.439	50	0		KGAARN
O=C(CCCn1c(=O)c2ccccc2n(Cc2cc(=O)n3ccccc3n2)c1=O)NCCc1ccc(Cl)cc1	ZINC000101330660	554731489	/nfs/dbraw/zinc/73/14/89/554731489.db2.gz	XACQOXAQWLTSTB-UHFFFAOYSA-N	0	0	544.011	3.012	50	0		KGAARN
C[C@@H]1C[C@H](C)CN(C(=O)Cn2c3ccccc3c(=O)n(CCCC(=O)NCCc3ccc(Cl)cc3)c2=O)C1	ZINC000101330672	554731508	/nfs/dbraw/zinc/73/15/08/554731508.db2.gz	NWDJLYSZZYQPFM-OYRHEFFESA-N	0	0	539.076	3.460	50	0		KGAARN
C[C@H]1C[C@H](C)CN(C(=O)Cn2c3ccccc3c(=O)n(CCCC(=O)NCCc3ccc(Cl)cc3)c2=O)C1	ZINC000101330675	554731414	/nfs/dbraw/zinc/73/14/14/554731414.db2.gz	NWDJLYSZZYQPFM-SFTDATJTSA-N	0	0	539.076	3.460	50	0		KGAARN
C[C@@H]1C[C@@H](C)CN(C(=O)Cn2c3ccccc3c(=O)n(CCCC(=O)NCCc3ccc(Cl)cc3)c2=O)C1	ZINC000101330677	554731564	/nfs/dbraw/zinc/73/15/64/554731564.db2.gz	NWDJLYSZZYQPFM-NHCUHLMSSA-N	0	0	539.076	3.460	50	0		KGAARN
COc1ccc(CCNC(=O)Cn2c3ccccc3c(=O)n(Cc3ccc(C(=O)NCc4ccco4)cc3)c2=O)cc1OC	ZINC000101330730	554731522	/nfs/dbraw/zinc/73/15/22/554731522.db2.gz	GVUITTKFGGOEKN-UHFFFAOYSA-N	0	0	596.640	3.111	50	0		KGAARN
O=C(CCn1c(=O)c2ccccc2n(CC(=O)Nc2cccc(C(F)(F)F)c2)c1=O)NCc1ccc2c(c1)OCO2	ZINC000101330831	554731486	/nfs/dbraw/zinc/73/14/86/554731486.db2.gz	GPKPUHLFJGGDHR-UHFFFAOYSA-N	0	0	568.508	3.256	50	0		KGAARN
COc1ccccc1CNC(=O)CCCCn1c(=O)c2ccccc2n(Cc2cc(=O)n3c(C)cccc3n2)c1=O	ZINC000101330871	554731456	/nfs/dbraw/zinc/73/14/56/554731456.db2.gz	UXUMNBXNFXDSTG-UHFFFAOYSA-N	0	0	553.619	3.023	50	0		KGAARN
COc1ccc(CCNC(=O)CCCn2c(=O)c3ccccc3n(CC(=O)OCc3ccccc3)c2=O)cc1OC	ZINC000101330896	554731512	/nfs/dbraw/zinc/73/15/12/554731512.db2.gz	LROMMZDHUYGCFU-UHFFFAOYSA-N	0	0	559.619	3.063	50	0		KGAARN
COc1ccc(CCNC(=O)CCCn2c(=O)c3ccccc3n(CC(=O)c3ccc(F)cc3)c2=O)cc1OC	ZINC000101330898	554731533	/nfs/dbraw/zinc/73/15/33/554731533.db2.gz	WTKAJZCQHIHCEO-UHFFFAOYSA-N	0	0	547.583	3.342	50	0		KGAARN
O=C(CCn1c(=O)c2ccccc2n(CC(=O)Nc2ccc(Br)cc2F)c1=O)NC1CCCC1	ZINC000101331035	554731747	/nfs/dbraw/zinc/73/17/47/554731747.db2.gz	FXBCQVQRKJVXEU-UHFFFAOYSA-N	0	0	531.382	3.152	50	0		KGAARN
COc1ccccc1CNC(=O)c1ccc(Cn2c(=O)c3ccccc3n(CC(=O)NCc3ccco3)c2=O)cc1	ZINC000101331182	554731755	/nfs/dbraw/zinc/73/17/55/554731755.db2.gz	GIDBRVQNWMIBQW-UHFFFAOYSA-N	0	0	552.587	3.060	50	0		KGAARN
O=C(CCCn1c(=O)c2ccccc2n(CC(=O)NCCc2ccccc2)c1=O)NCc1ccccc1Cl	ZINC000101331306	554731930	/nfs/dbraw/zinc/73/19/30/554731930.db2.gz	SEWMWYQOSOLXTO-UHFFFAOYSA-N	0	0	533.028	3.272	50	0		KGAARN
O=C(CCCn1c(=O)c2ccccc2n(CC(=O)Nc2ccc3c(c2)OCCO3)c1=O)NCc1ccccc1Cl	ZINC000101331335	554731953	/nfs/dbraw/zinc/73/19/53/554731953.db2.gz	VPXOKCHTTGDMRM-UHFFFAOYSA-N	0	0	563.010	3.323	50	0		KGAARN
COc1ccc(CCNC(=O)Cn2c3ccccc3c(=O)n(-c3ccc(CC(=O)NC4CCCC4)cc3)c2=O)cc1OC	ZINC000101331378	554732221	/nfs/dbraw/zinc/73/22/21/554732221.db2.gz	LEXWJUCHXCBISC-UHFFFAOYSA-N	0	0	584.673	3.130	50	0		KGAARN
COc1ccc(CCNC(=O)Cn2c3ccccc3c(=O)n(-c3ccc(CC(=O)NCCc4ccccc4)cc3)c2=O)cc1OC	ZINC000101331390	554732185	/nfs/dbraw/zinc/73/21/85/554732185.db2.gz	IEZSQSGGNLZCPM-UHFFFAOYSA-N	0	0	620.706	3.430	50	0		KGAARN
CC[C@@H](C)NC(=O)Cn1c2ccccc2c(=O)n(Cc2ccc(C(=O)NCCc3ccc(OC)c(OC)c3)cc2)c1=O	ZINC000101331432	554732202	/nfs/dbraw/zinc/73/22/02/554732202.db2.gz	GAYNIKWPMVDOHX-OAQYLSRUSA-N	0	0	572.662	3.116	50	0		KGAARN
CC[C@H](C)NC(=O)Cn1c2ccccc2c(=O)n(Cc2ccc(C(=O)NCCc3ccc(OC)c(OC)c3)cc2)c1=O	ZINC000101331433	554732168	/nfs/dbraw/zinc/73/21/68/554732168.db2.gz	GAYNIKWPMVDOHX-NRFANRHFSA-N	0	0	572.662	3.116	50	0		KGAARN
COCCCNC(=O)c1ccc(Cn2c(=O)c3ccccc3n(CC(=O)Nc3ccc(Br)cc3)c2=O)cc1	ZINC000101331671	554732545	/nfs/dbraw/zinc/73/25/45/554732545.db2.gz	MAEIYDAVESPAPW-UHFFFAOYSA-N	0	0	579.451	3.379	50	0		KGAARN
COc1ccc(NC(=O)Cn2c3ccccc3c(=O)n(Cc3ccc(C(=O)NCc4ccco4)cc3)c2=O)cc1	ZINC000101331699	554732594	/nfs/dbraw/zinc/73/25/94/554732594.db2.gz	XZVIJWXLQYNJNC-UHFFFAOYSA-N	0	0	538.560	3.382	50	0		KGAARN
COc1ccc(NC(=O)Cn2c3ccccc3c(=O)n(Cc3ccc(C(=O)NCc4ccco4)cc3)c2=O)cc1OC	ZINC000101331708	554732564	/nfs/dbraw/zinc/73/25/64/554732564.db2.gz	NEBUAERZIGLACE-UHFFFAOYSA-N	0	0	568.586	3.390	50	0		KGAARN
COc1cc(NC(=O)Cn2c3ccccc3c(=O)n(Cc3ccc(C(=O)NCc4ccco4)cc3)c2=O)cc(OC)c1	ZINC000101331710	554732582	/nfs/dbraw/zinc/73/25/82/554732582.db2.gz	CRYHJRSYJKIRHZ-UHFFFAOYSA-N	0	0	568.586	3.390	50	0		KGAARN
COc1ccc(NC(=O)Cn2c3ccccc3c(=O)n(Cc3ccc(C(=O)NCc4ccco4)cc3)c2=O)c(OC)c1	ZINC000101331715	554732584	/nfs/dbraw/zinc/73/25/84/554732584.db2.gz	KGRJMOLTCXIYHR-UHFFFAOYSA-N	0	0	568.586	3.390	50	0		KGAARN
O=C(NCc1ccccc1)C1CCC(Cn2c(=O)c3ccccc3n(Cc3cc(=O)n4ccccc4n3)c2=O)CC1	ZINC000101331809	554732827	/nfs/dbraw/zinc/73/28/27/554732827.db2.gz	JCJLORUFZXLBNT-UHFFFAOYSA-N	0	0	549.631	3.342	50	0		KGAARN
O=C(CCn1c(=O)c2ccccc2n(CC(=O)Nc2ccc(Br)cc2F)c1=O)NCCc1ccccc1	ZINC000101331843	554732869	/nfs/dbraw/zinc/73/28/69/554732869.db2.gz	XQLSKOZIXZNJAP-UHFFFAOYSA-N	0	0	567.415	3.453	50	0		KGAARN
O=C(CCn1c(=O)c2ccccc2n(CC(=O)Nc2ccc(Br)cc2)c1=O)NCCc1ccccc1	ZINC000101331858	554732830	/nfs/dbraw/zinc/73/28/30/554732830.db2.gz	JJXJMFGNKQEHJZ-UHFFFAOYSA-N	0	0	549.425	3.313	50	0		KGAARN
CCOC(=O)c1ccc(NC(=O)Cn2c3ccccc3c(=O)n(CCCC(=O)NCc3ccc(C)cc3)c2=O)cc1	ZINC000101332043	554732974	/nfs/dbraw/zinc/73/29/74/554732974.db2.gz	ZFPDZBMLWRXYEQ-UHFFFAOYSA-N	0	0	556.619	3.384	50	0		KGAARN
COc1ccc(NC(=O)Cn2c3ccccc3c(=O)n(CCCC(=O)NCc3ccc(C)cc3)c2=O)c(OC)c1	ZINC000101332045	554733016	/nfs/dbraw/zinc/73/30/16/554733016.db2.gz	GRWCSQTYGPEIIM-UHFFFAOYSA-N	0	0	544.608	3.224	50	0		KGAARN
Cc1ccc(CNC(=O)c2ccc(Cn3c(=O)c4ccccc4n(CC(=O)NCc4ccco4)c3=O)cc2)cc1	ZINC000101332069	554732960	/nfs/dbraw/zinc/73/29/60/554732960.db2.gz	DWNQDEMQPOKHRN-UHFFFAOYSA-N	0	0	536.588	3.359	50	0		KGAARN
O=C(Cn1c(=O)n(Cc2ccc(C(=O)NCc3ccco3)cc2)c(=O)c2ccccc21)Nc1ccc2c(c1)OCCO2	ZINC000101332153	554733248	/nfs/dbraw/zinc/73/32/48/554733248.db2.gz	PQTXJLUKLZRHIP-UHFFFAOYSA-N	0	0	566.570	3.144	50	0		KGAARN
COc1ccc(OC)c(NC(=O)Cn2c3ccccc3c(=O)n(Cc3ccc(C(=O)NCc4ccco4)cc3)c2=O)c1	ZINC000101332155	554733236	/nfs/dbraw/zinc/73/32/36/554733236.db2.gz	IHMUHJNRPVVWAJ-UHFFFAOYSA-N	0	0	568.586	3.390	50	0		KGAARN
O=C(Cc1ccc(-n2c(=O)c3ccccc3n(CC(=O)Nc3ccc(F)cc3)c2=O)cc1)NCc1ccco1	ZINC000101332227	554733235	/nfs/dbraw/zinc/73/32/35/554733235.db2.gz	UAKIULLOPOVGAR-UHFFFAOYSA-N	0	0	526.524	3.382	50	0		KGAARN
CCOC(=O)c1ccc(NC(=O)Cn2c3ccccc3c(=O)n(-c3ccc(CC(=O)NCc4ccco4)cc3)c2=O)cc1	ZINC000101332230	554733296	/nfs/dbraw/zinc/73/32/96/554733296.db2.gz	UNSPCTCRLGMBAI-UHFFFAOYSA-N	0	0	580.597	3.420	50	0		KGAARN
COc1ccc(NC(=O)Cn2c3ccccc3c(=O)n(-c3ccc(CC(=O)NCc4ccco4)cc3)c2=O)cc1OC	ZINC000101332231	554733254	/nfs/dbraw/zinc/73/32/54/554733254.db2.gz	DSGFKDJBIXRXFU-UHFFFAOYSA-N	0	0	568.586	3.260	50	0		KGAARN
COc1cc(NC(=O)Cn2c3ccccc3c(=O)n(-c3ccc(CC(=O)NCc4ccco4)cc3)c2=O)cc(OC)c1	ZINC000101332238	554733224	/nfs/dbraw/zinc/73/32/24/554733224.db2.gz	WDQHZUFPYBWDAF-UHFFFAOYSA-N	0	0	568.586	3.260	50	0		KGAARN
O=C(Cc1ccc(-n2c(=O)c3ccccc3n(CC(=O)Nc3cccc(F)c3)c2=O)cc1)NCc1ccco1	ZINC000101332252	554733226	/nfs/dbraw/zinc/73/32/26/554733226.db2.gz	CTEJHGJQXIOUQI-UHFFFAOYSA-N	0	0	526.524	3.382	50	0		KGAARN
COc1ccc(OC)c(NC(=O)Cn2c3ccccc3c(=O)n(-c3ccc(CC(=O)NCc4ccco4)cc3)c2=O)c1	ZINC000101332257	554733252	/nfs/dbraw/zinc/73/32/52/554733252.db2.gz	LCJKZBHUJUEAAS-UHFFFAOYSA-N	0	0	568.586	3.260	50	0		KGAARN
COC(=O)c1ccccc1NC(=O)Cn1c2ccccc2c(=O)n(-c2ccc(CC(=O)NCc3ccco3)cc2)c1=O	ZINC000101332269	554733231	/nfs/dbraw/zinc/73/32/31/554733231.db2.gz	MMFGNTDJBQSMQY-UHFFFAOYSA-N	0	0	566.570	3.030	50	0		KGAARN
Cc1cc(NC(=O)Cn2c3ccccc3c(=O)n(Cc3ccc(C(=O)NCc4ccc(C)cc4)cc3)c2=O)n[nH]1	ZINC000101332307	554733402	/nfs/dbraw/zinc/73/34/02/554733402.db2.gz	JADURJZPRSXJRB-UHFFFAOYSA-N	0	0	536.592	3.120	50	0		KGAARN
COc1cc(Cl)c(C)cc1NC(=O)Cn1c2ccccc2c(=O)n(CC(=O)NCCc2ccccc2)c1=O	ZINC000101332482	554733440	/nfs/dbraw/zinc/73/34/40/554733440.db2.gz	NZFTYDGRQSZZFI-UHFFFAOYSA-N	0	0	535.000	3.131	50	0		KGAARN
Cc1cc(NC(=O)Cn2c3ccccc3c(=O)n(CC(=O)NCCc3ccccc3)c2=O)ccc1Br	ZINC000101332488	554733432	/nfs/dbraw/zinc/73/34/32/554733432.db2.gz	UNECVONSONZWND-UHFFFAOYSA-N	0	0	549.425	3.232	50	0		KGAARN
O=C(Cn1c(=O)c2ccccc2n(CC(=O)Nc2ccc(Br)cc2F)c1=O)NCCc1ccccc1	ZINC000101332497	554733445	/nfs/dbraw/zinc/73/34/45/554733445.db2.gz	LGEDEERRHWFBPB-UHFFFAOYSA-N	0	0	553.388	3.062	50	0		KGAARN
O=C(Cn1c(=O)c2ccccc2n(CC(=O)Nc2c(Cl)cccc2Cl)c1=O)NCCc1ccccc1	ZINC000101332519	554733451	/nfs/dbraw/zinc/73/34/51/554733451.db2.gz	QISUFRKUVKTMQE-UHFFFAOYSA-N	0	0	525.392	3.468	50	0		KGAARN
Cc1cc(NC(=O)Cn2c(=O)n(Cc3ccc(C(=O)NCc4ccccc4Cl)cc3)c(=O)c3ccccc32)n[nH]1	ZINC000101332554	554733666	/nfs/dbraw/zinc/73/36/66/554733666.db2.gz	TWRKPOMYBQMEAP-UHFFFAOYSA-N	0	0	557.010	3.465	50	0		KGAARN
COCCCNC(=O)c1ccc(Cn2c(=O)c3ccccc3n(CC(=O)Nc3ccc(OC)c(Cl)c3)c2=O)cc1	ZINC000101332576	554733705	/nfs/dbraw/zinc/73/37/05/554733705.db2.gz	RAGUWBDRXVFRAJ-UHFFFAOYSA-N	0	0	565.026	3.279	50	0		KGAARN
CCOC(=O)c1ccccc1NC(=O)Cn1c2ccccc2c(=O)n(CCCS(=O)(=O)C2CCCCC2)c1=O	ZINC000101332637	554733679	/nfs/dbraw/zinc/73/36/79/554733679.db2.gz	XMMVPAOPHOYVTK-UHFFFAOYSA-N	0	0	555.653	3.116	50	0		KGAARN
O=C(Cn1c2cc(C(=O)NCCc3ccccc3)ccc2c(=O)n(C[C@@H]2CCCO2)c1=O)Nc1ccccc1F	ZINC000101332754	554733699	/nfs/dbraw/zinc/73/36/99/554733699.db2.gz	SWLMDPRNNMSDSD-QFIPXVFZSA-N	0	0	544.583	3.093	50	0		KGAARN
O=C(Cn1c2cc(C(=O)NCCc3ccccc3)ccc2c(=O)n(C[C@H]2CCCO2)c1=O)Nc1ccccc1F	ZINC000101332758	554733717	/nfs/dbraw/zinc/73/37/17/554733717.db2.gz	SWLMDPRNNMSDSD-JOCHJYFZSA-N	0	0	544.583	3.093	50	0		KGAARN
CN(C(=O)Cn1c2cc(C(=O)NCCc3ccccc3)ccc2c(=O)n(Cc2ccco2)c1=O)c1ccccc1	ZINC000101332789	554733854	/nfs/dbraw/zinc/73/38/54/554733854.db2.gz	DBQINUGJHHKOHB-UHFFFAOYSA-N	0	0	536.588	3.440	50	0		KGAARN
CCOC(=O)N1CCC(NC(=O)C2CCC(CNS(=O)(=O)c3ccc(Br)s3)CC2)CC1	ZINC000101339900	554735097	/nfs/dbraw/zinc/73/50/97/554735097.db2.gz	QMKGUHKSIFPFDK-UHFFFAOYSA-N	0	0	536.514	3.332	50	0		KGAARN
Cn1c2nc(CN3CCN(c4cccc(Cl)c4)CC3)n(Cc3c(F)cccc3Cl)c2c(=O)n(C)c1=O	ZINC000101340788	554735427	/nfs/dbraw/zinc/73/54/27/554735427.db2.gz	RWHDWOCEHBDWCM-UHFFFAOYSA-N	0	0	531.419	3.250	50	0		KGAARN
Cn1c2nc(CN3CCN(c4ccccc4F)CC3)n(Cc3ccc(Cl)cc3Cl)c2c(=O)n(C)c1=O	ZINC000101341437	554735661	/nfs/dbraw/zinc/73/56/61/554735661.db2.gz	CNCPCUYBXJFGCG-UHFFFAOYSA-N	0	0	531.419	3.250	50	0		KGAARN
Cn1c2nc(CN3CCN(c4ccc(F)cc4)CC3)n(Cc3ccc(Cl)cc3Cl)c2c(=O)n(C)c1=O	ZINC000101341648	554735878	/nfs/dbraw/zinc/73/58/78/554735878.db2.gz	NVSOLNRRRTVGSU-UHFFFAOYSA-N	0	0	531.419	3.250	50	0		KGAARN
COc1ccc(NC(=O)[C@@H](CCSC)NC(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1OC	ZINC000101343286	554736299	/nfs/dbraw/zinc/73/62/99/554736299.db2.gz	TXDFWCMJEIJTSM-JOCHJYFZSA-N	0	0	549.715	3.290	50	0		KGAARN
COCCn1c(CN(Cc2ccco2)S(=O)(=O)c2ccc(OC)cc2)cnc1S(=O)(=O)Cc1ccccc1	ZINC000101344984	554737085	/nfs/dbraw/zinc/73/70/85/554737085.db2.gz	VONYDABKPZGEES-UHFFFAOYSA-N	0	0	559.666	3.496	50	0		KGAARN
O=C(Cn1c2c3ccccc3oc2c(=O)n(CC(=O)NC2CCCC2)c1=O)NCc1ccc(F)c(Cl)c1	ZINC000101354049	554739163	/nfs/dbraw/zinc/73/91/63/554739163.db2.gz	DBSQSDFVPDKCDB-UHFFFAOYSA-N	0	0	526.952	3.077	50	0		KGAARN
O=C(Cn1c2c3ccccc3oc2c(=O)n(CC(=O)NC2CCCC2)c1=O)NCc1ccccc1Br	ZINC000101354059	554739164	/nfs/dbraw/zinc/73/91/64/554739164.db2.gz	TVSAWNXRAVINDN-UHFFFAOYSA-N	0	0	553.413	3.047	50	0		KGAARN
O=C(Cn1c2c3ccccc3oc2c(=O)n(CC(=O)NC2CCCC2)c1=O)Nc1cccc(Br)c1	ZINC000101354073	554739192	/nfs/dbraw/zinc/73/91/92/554739192.db2.gz	POMCIMRWSFDGPO-UHFFFAOYSA-N	0	0	539.386	3.369	50	0		KGAARN
COc1cc(OC)c(NC(=O)Cn2c3c4ccccc4oc3c(=O)n(CC(=O)NC3CCCC3)c2=O)cc1Cl	ZINC000101354075	554739184	/nfs/dbraw/zinc/73/91/84/554739184.db2.gz	CHHZBUBZGNXCCQ-UHFFFAOYSA-N	0	0	554.987	3.278	50	0		KGAARN
O=C(C[C@H]1NC(=O)NC1=O)N1CCN(C[C@H](OCc2ccc(C(F)(F)F)cc2)c2ccc(Cl)cc2)CC1	ZINC000101356073	554739853	/nfs/dbraw/zinc/73/98/53/554739853.db2.gz	IFIGIYFBWUVQJP-RTWAWAEBSA-N	0	0	538.954	3.359	50	0		KGAARN
O=C(C[C@H]1NC(=O)NC1=O)N1CCN(C[C@@H](OCc2ccc(C(F)(F)F)cc2)c2ccc(Cl)cc2)CC1	ZINC000101356075	554739840	/nfs/dbraw/zinc/73/98/40/554739840.db2.gz	IFIGIYFBWUVQJP-NHCUHLMSSA-N	0	0	538.954	3.359	50	0		KGAARN
O=C(C[C@@H]1NC(=O)NC1=O)N1CCN(C[C@H](OCc2ccc(C(F)(F)F)cc2)c2ccc(Cl)cc2)CC1	ZINC000101356079	554739898	/nfs/dbraw/zinc/73/98/98/554739898.db2.gz	IFIGIYFBWUVQJP-SFTDATJTSA-N	0	0	538.954	3.359	50	0		KGAARN
O=C(C[C@@H]1NC(=O)NC1=O)N1CCN(C[C@@H](OCc2ccc(C(F)(F)F)cc2)c2ccc(Cl)cc2)CC1	ZINC000101356083	554739925	/nfs/dbraw/zinc/73/99/25/554739925.db2.gz	IFIGIYFBWUVQJP-LEWJYISDSA-N	0	0	538.954	3.359	50	0		KGAARN
COc1ccc(OC)c([C@H]2C(C(=O)OC(C)C)=C(C)N=C3SC=C(CC(=O)N4CCN(C(C)=O)CC4)N32)c1	ZINC000101356303	554740012	/nfs/dbraw/zinc/74/00/12/554740012.db2.gz	MYFJLEXVHASNOX-VWLOTQADSA-N	0	0	542.658	3.311	50	0		KGAARN
COc1ccc(OC)c([C@@H]2C(C(=O)OC(C)C)=C(C)N=C3SC=C(CC(=O)N4CCN(C(C)=O)CC4)N32)c1	ZINC000101356307	554739981	/nfs/dbraw/zinc/73/99/81/554739981.db2.gz	MYFJLEXVHASNOX-RUZDIDTESA-N	0	0	542.658	3.311	50	0		KGAARN
Cc1ccc(Cl)cc1N1CCN(C(=O)CN2N=C(c3nc(-c4ccc5c(c4)OCO5)no3)CCC2=O)CC1	ZINC000101356531	554740083	/nfs/dbraw/zinc/74/00/83/554740083.db2.gz	NANJOBDXUYBDAS-UHFFFAOYSA-N	0	0	536.976	3.102	50	0		KGAARN
COc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=C3SC=C(CC(=O)N4CCN(C(C)=O)CC4)N32)cc1OC	ZINC000101357578	554740646	/nfs/dbraw/zinc/74/06/46/554740646.db2.gz	TXTXNYZFBVNSKC-VWLOTQADSA-N	0	0	542.658	3.311	50	0		KGAARN
COc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=C3SC=C(CC(=O)N4CCN(C(C)=O)CC4)N32)cc1OC	ZINC000101357581	554740622	/nfs/dbraw/zinc/74/06/22/554740622.db2.gz	TXTXNYZFBVNSKC-RUZDIDTESA-N	0	0	542.658	3.311	50	0		KGAARN
O=C(Nc1c(F)c(F)c(F)c(F)c1F)N[C@H](Cc1ccccc1)C(=O)N1CCC(C(=O)N2CCOCC2)CC1	ZINC000101357854	554740877	/nfs/dbraw/zinc/74/08/77/554740877.db2.gz	SCGGFHPCZFBARA-QGZVFWFLSA-N	0	0	554.516	3.212	50	0		KGAARN
COc1cc(OC)cc([C@H]2C(C(=O)OC(C)C)=C(C)N=C3SC=C(CC(=O)N4CCN(C(C)=O)CC4)N32)c1	ZINC000101358474	554741355	/nfs/dbraw/zinc/74/13/55/554741355.db2.gz	AFVFXHOYEUHBNM-VWLOTQADSA-N	0	0	542.658	3.311	50	0		KGAARN
COc1cc(OC)cc([C@@H]2C(C(=O)OC(C)C)=C(C)N=C3SC=C(CC(=O)N4CCN(C(C)=O)CC4)N32)c1	ZINC000101358476	554741316	/nfs/dbraw/zinc/74/13/16/554741316.db2.gz	AFVFXHOYEUHBNM-RUZDIDTESA-N	0	0	542.658	3.311	50	0		KGAARN
CCN1CCc2c3ccccc3[nH]c2[C@@H]1c1c([O-])[nH]c(=O)n(-c2ccc(I)cc2)c1=O	ZINC000101367084	554743915	/nfs/dbraw/zinc/74/39/15/554743915.db2.gz	NQUWCKLLYRZAOF-FQEVSTJZSA-N	0	0	528.350	3.285	50	0		KGAARN
CCN1CCc2c3ccccc3[nH]c2[C@H]1c1c([O-])[nH]c(=O)n(-c2ccc(I)cc2)c1=O	ZINC000101367085	554744013	/nfs/dbraw/zinc/74/40/13/554744013.db2.gz	NQUWCKLLYRZAOF-HXUWFJFHSA-N	0	0	528.350	3.285	50	0		KGAARN
Cc1c2c(=O)n(-c3nc4ccccc4s3)n(CC(=O)Nc3ccc(F)c(Cl)c3)c2cc(=O)n1N1CCOCC1	ZINC000101378131	554747371	/nfs/dbraw/zinc/74/73/71/554747371.db2.gz	QVZZPBXIDRRSPV-UHFFFAOYSA-N	0	0	569.018	3.271	50	0		KGAARN
Cc1c2c(cc(=O)n1N1CCOCC1)n(CC(=O)Nc1ccc(Br)cc1)n(-c1nc3ccccc3s1)c2=O	ZINC000101378137	554747355	/nfs/dbraw/zinc/74/73/55/554747355.db2.gz	NBWKTDBQZPTPSW-UHFFFAOYSA-N	0	0	595.479	3.241	50	0		KGAARN
Cc1c2c(cc(=O)n1N1CCOCC1)n(CC(=O)Nc1ccc(Cl)cc1)n(-c1nc3ccccc3s1)c2=O	ZINC000101378139	554747361	/nfs/dbraw/zinc/74/73/61/554747361.db2.gz	NFJWXMKQCOHECE-UHFFFAOYSA-N	0	0	551.028	3.132	50	0		KGAARN
CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(F)cc2)n2c(=O)/c(=C\c3ccc(N4CCN(C)CC4)o3)sc2=N1	ZINC000101381496	554748571	/nfs/dbraw/zinc/74/85/71/554748571.db2.gz	YTVYRTFEBGVTGM-WTDOPDLHSA-N	0	0	557.651	3.358	50	0		KGAARN
CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(N4CCN(C)CC4)o3)c(=O)n2[C@@H]1c1cccc(OC)c1	ZINC000101381524	554748485	/nfs/dbraw/zinc/74/84/85/554748485.db2.gz	PXBKXRBBMQMJHS-PDRCNJOPSA-N	0	0	584.698	3.289	50	0		KGAARN
CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(N4CCN(C)CC4)o3)c(=O)n2[C@H]1c1cccc(OC)c1	ZINC000101381528	554748549	/nfs/dbraw/zinc/74/85/49/554748549.db2.gz	PXBKXRBBMQMJHS-NZIPGPCDSA-N	0	0	584.698	3.289	50	0		KGAARN
CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(N4CCN(C)CC4)o3)c(=O)n2[C@@H]1c1ccccc1	ZINC000101381531	554748545	/nfs/dbraw/zinc/74/85/45/554748545.db2.gz	SFACYNHERXFXKP-HVHHJAFASA-N	0	0	554.672	3.280	50	0		KGAARN
CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(N4CCN(C)CC4)o3)c(=O)n2[C@H]1c1ccccc1	ZINC000101381533	554748491	/nfs/dbraw/zinc/74/84/91/554748491.db2.gz	SFACYNHERXFXKP-VXHROTETSA-N	0	0	554.672	3.280	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N4CCN(C)CC4)o3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc21	ZINC000101381566	554748524	/nfs/dbraw/zinc/74/85/24/554748524.db2.gz	WEYRDBUFCMGWIB-OKGYKCPCSA-N	0	0	572.687	3.305	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N4CCN(C)CC4)o3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc21	ZINC000101381571	554748587	/nfs/dbraw/zinc/74/85/87/554748587.db2.gz	WEYRDBUFCMGWIB-GLRDDDLDSA-N	0	0	572.687	3.305	50	0		KGAARN
O=C(CC[C@H]1N=C2c3ccccc3N=C(SCC(=O)N3CCN(c4ccccc4)CC3)N2C1=O)NCc1ccco1	ZINC000101384990	554749020	/nfs/dbraw/zinc/74/90/20/554749020.db2.gz	MJEYQJRNABDOQI-RUZDIDTESA-N	0	0	570.675	3.417	50	0		KGAARN
O=C(CC[C@@H]1N=C2c3ccccc3N=C(SCC(=O)N3CCN(c4ccccc4)CC3)N2C1=O)NCc1ccco1	ZINC000101384995	554749027	/nfs/dbraw/zinc/74/90/27/554749027.db2.gz	MJEYQJRNABDOQI-VWLOTQADSA-N	0	0	570.675	3.417	50	0		KGAARN
CCCCNC(=O)CC[C@H]1N=C2c3ccccc3N=C(SCC(=O)N3CCN(c4ccccc4)CC3)N2C1=O	ZINC000101385168	554749180	/nfs/dbraw/zinc/74/91/80/554749180.db2.gz	CLIGMWUNIRZVBI-XMMPIXPASA-N	0	0	546.697	3.424	50	0		KGAARN
CCCCNC(=O)CC[C@@H]1N=C2c3ccccc3N=C(SCC(=O)N3CCN(c4ccccc4)CC3)N2C1=O	ZINC000101385173	554749167	/nfs/dbraw/zinc/74/91/67/554749167.db2.gz	CLIGMWUNIRZVBI-DEOSSOPVSA-N	0	0	546.697	3.424	50	0		KGAARN
O=C(C[C@H]1N=C2c3ccccc3N=C(SCC(=O)N3CCN(c4ccccc4)CC3)N2C1=O)NCc1cccs1	ZINC000101385318	554749408	/nfs/dbraw/zinc/74/94/08/554749408.db2.gz	LVKRGLIEMXNWII-XMMPIXPASA-N	0	0	572.716	3.495	50	0		KGAARN
O=C(C[C@@H]1N=C2c3ccccc3N=C(SCC(=O)N3CCN(c4ccccc4)CC3)N2C1=O)NCc1cccs1	ZINC000101385322	554749463	/nfs/dbraw/zinc/74/94/63/554749463.db2.gz	LVKRGLIEMXNWII-DEOSSOPVSA-N	0	0	572.716	3.495	50	0		KGAARN
CCCCNC(=O)C[C@H]1N=C2c3ccccc3N=C(SCC(=O)N3CCN(c4ccccc4)CC3)N2C1=O	ZINC000101385369	554749452	/nfs/dbraw/zinc/74/94/52/554749452.db2.gz	XRXSCBRJUQWTTE-HSZRJFAPSA-N	0	0	532.670	3.034	50	0		KGAARN
CCCCNC(=O)C[C@@H]1N=C2c3ccccc3N=C(SCC(=O)N3CCN(c4ccccc4)CC3)N2C1=O	ZINC000101385372	554749444	/nfs/dbraw/zinc/74/94/44/554749444.db2.gz	XRXSCBRJUQWTTE-QHCPKHFHSA-N	0	0	532.670	3.034	50	0		KGAARN
COc1ccccc1CNC(=O)C[C@H]1N=C2c3ccccc3N=C(SCC(=O)N3CCN(c4ccccc4)CC3)N2C1=O	ZINC000101385440	554749459	/nfs/dbraw/zinc/74/94/59/554749459.db2.gz	YTJUPLDKCMOJKL-AREMUKBSSA-N	0	0	596.713	3.442	50	0		KGAARN
COc1ccccc1CNC(=O)C[C@@H]1N=C2c3ccccc3N=C(SCC(=O)N3CCN(c4ccccc4)CC3)N2C1=O	ZINC000101385443	554749419	/nfs/dbraw/zinc/74/94/19/554749419.db2.gz	YTJUPLDKCMOJKL-SANMLTNESA-N	0	0	596.713	3.442	50	0		KGAARN
Cc1cc(NC(=O)CSC2=Nc3ccccc3C3=N[C@H](CCC(=O)N4CCN(c5ccccc5)CC4)C(=O)N32)n[nH]1	ZINC000101385548	554749686	/nfs/dbraw/zinc/74/96/86/554749686.db2.gz	DBKJYZXGVKACJX-HSZRJFAPSA-N	0	0	570.679	3.178	50	0		KGAARN
Cc1cc(NC(=O)CSC2=Nc3ccccc3C3=N[C@@H](CCC(=O)N4CCN(c5ccccc5)CC4)C(=O)N32)n[nH]1	ZINC000101385552	554749720	/nfs/dbraw/zinc/74/97/20/554749720.db2.gz	DBKJYZXGVKACJX-QHCPKHFHSA-N	0	0	570.679	3.178	50	0		KGAARN
CC[C@@H](C)NC(=O)CSC1=Nc2ccccc2C2=N[C@H](CCC(=O)N3CCN(c4ccccc4)CC3)C(=O)N21	ZINC000101385565	554749704	/nfs/dbraw/zinc/74/97/04/554749704.db2.gz	PTQGEHPPDACOQN-HYBUGGRVSA-N	0	0	546.697	3.422	50	0		KGAARN
CC[C@H](C)NC(=O)CSC1=Nc2ccccc2C2=N[C@H](CCC(=O)N3CCN(c4ccccc4)CC3)C(=O)N21	ZINC000101385568	554749695	/nfs/dbraw/zinc/74/96/95/554749695.db2.gz	PTQGEHPPDACOQN-GBXCKJPGSA-N	0	0	546.697	3.422	50	0		KGAARN
CC[C@@H](C)NC(=O)CSC1=Nc2ccccc2C2=N[C@@H](CCC(=O)N3CCN(c4ccccc4)CC3)C(=O)N21	ZINC000101385572	554749649	/nfs/dbraw/zinc/74/96/49/554749649.db2.gz	PTQGEHPPDACOQN-YKSBVNFPSA-N	0	0	546.697	3.422	50	0		KGAARN
CC[C@H](C)NC(=O)CSC1=Nc2ccccc2C2=N[C@@H](CCC(=O)N3CCN(c4ccccc4)CC3)C(=O)N21	ZINC000101385575	554749619	/nfs/dbraw/zinc/74/96/19/554749619.db2.gz	PTQGEHPPDACOQN-RDPSFJRHSA-N	0	0	546.697	3.422	50	0		KGAARN
O=C(CSC1=Nc2ccccc2C2=N[C@H](CC(=O)N3CCN(c4ccccc4)CC3)C(=O)N21)NCc1ccco1	ZINC000101385739	554750140	/nfs/dbraw/zinc/75/01/40/554750140.db2.gz	CLBLUMGDQCCFGK-XMMPIXPASA-N	0	0	556.648	3.027	50	0		KGAARN
O=C(CSC1=Nc2ccccc2C2=N[C@@H](CC(=O)N3CCN(c4ccccc4)CC3)C(=O)N21)NCc1ccco1	ZINC000101385744	554750224	/nfs/dbraw/zinc/75/02/24/554750224.db2.gz	CLBLUMGDQCCFGK-DEOSSOPVSA-N	0	0	556.648	3.027	50	0		KGAARN
CC[C@@H](C)NC(=O)CSC1=Nc2ccccc2C2=N[C@H](CC(=O)N3CCN(c4ccccc4)CC3)C(=O)N21	ZINC000101385788	554750185	/nfs/dbraw/zinc/75/01/85/554750185.db2.gz	MRUWBHGTOXJEKG-AUSIDOKSSA-N	0	0	532.670	3.032	50	0		KGAARN
CC[C@H](C)NC(=O)CSC1=Nc2ccccc2C2=N[C@H](CC(=O)N3CCN(c4ccccc4)CC3)C(=O)N21	ZINC000101385792	554750211	/nfs/dbraw/zinc/75/02/11/554750211.db2.gz	MRUWBHGTOXJEKG-WMZHIEFXSA-N	0	0	532.670	3.032	50	0		KGAARN
CC[C@@H](C)NC(=O)CSC1=Nc2ccccc2C2=N[C@@H](CC(=O)N3CCN(c4ccccc4)CC3)C(=O)N21	ZINC000101385795	554750278	/nfs/dbraw/zinc/75/02/78/554750278.db2.gz	MRUWBHGTOXJEKG-XXBNENTESA-N	0	0	532.670	3.032	50	0		KGAARN
CC[C@H](C)NC(=O)CSC1=Nc2ccccc2C2=N[C@@H](CC(=O)N3CCN(c4ccccc4)CC3)C(=O)N21	ZINC000101385798	554750160	/nfs/dbraw/zinc/75/01/60/554750160.db2.gz	MRUWBHGTOXJEKG-CVDCTZTESA-N	0	0	532.670	3.032	50	0		KGAARN
O=C(CSC1=Nc2ccccc2C2=N[C@H](CC(=O)N3CCN(c4ccccc4)CC3)C(=O)N21)N1CCN(c2ccccc2)CC1	ZINC000101385817	554750507	/nfs/dbraw/zinc/75/05/07/554750507.db2.gz	VSGCDFNWDCQFAN-GDLZYMKVSA-N	0	0	621.767	3.466	50	0		KGAARN
O=C(CSC1=Nc2ccccc2C2=N[C@@H](CC(=O)N3CCN(c4ccccc4)CC3)C(=O)N21)N1CCN(c2ccccc2)CC1	ZINC000101385822	554750468	/nfs/dbraw/zinc/75/04/68/554750468.db2.gz	VSGCDFNWDCQFAN-LJAQVGFWSA-N	0	0	621.767	3.466	50	0		KGAARN
Cc1ccc(NC(=O)c2[nH]cnc2N=c2sc(C(=O)N3CCOCC3)c(N)n2-c2ccccc2)cc1	ZINC000101387000	554752927	/nfs/dbraw/zinc/75/29/27/554752927.db2.gz	ZZBMHBSRJRTCLJ-JVCXMKTPSA-N	0	0	503.588	3.110	50	0		KGAARN
CC(C)(C)N1C(=O)[C@H]2[C@H]([C@H](O)c3ccc(Cl)cc3)N[C@@]3(C(=O)Nc4ccc(Br)cc43)[C@H]2C1=O	ZINC000101387882	554753587	/nfs/dbraw/zinc/75/35/87/554753587.db2.gz	VQFXXHCTMPIDQT-QRYDCHBUSA-N	0	0	532.822	3.355	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc4c(c3)OCO4)c(=O)n2[C@@H]1c1ccc(Br)cc1	ZINC000101388249	554753630	/nfs/dbraw/zinc/75/36/30/554753630.db2.gz	QGFXAJJQMKVABO-ZNQKWNQWSA-N	0	0	527.396	3.290	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc4c(c3)OCO4)c(=O)n2[C@H]1c1ccc(Br)cc1	ZINC000101388250	554753600	/nfs/dbraw/zinc/75/36/00/554753600.db2.gz	QGFXAJJQMKVABO-MRCZTLKWSA-N	0	0	527.396	3.290	50	0		KGAARN
COc1ccc(CCN2C(=O)[C@H]3[C@H]([C@H](O)c4ccc(Cl)cc4)N[C@@]4(C(=O)Nc5ccccc54)[C@H]3C2=O)cc1OC	ZINC000101392476	554756009	/nfs/dbraw/zinc/75/60/09/554756009.db2.gz	WTUMFIBVVMVIOG-XCTNGXHESA-N	0	0	562.022	3.054	50	0		KGAARN
CC1(C)S[C@H]2c3ccccc3C(=O)N2[C@@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCCN1CCOCC1	ZINC000101397731	554758877	/nfs/dbraw/zinc/75/88/77/554758877.db2.gz	DXXBOJIQFPNOHW-MWSYKCOMSA-N	0	0	575.735	3.082	50	0		KGAARN
CC1(C)S[C@@H]2c3ccccc3C(=O)N2[C@@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCCN1CCOCC1	ZINC000101397733	554758886	/nfs/dbraw/zinc/75/88/86/554758886.db2.gz	DXXBOJIQFPNOHW-LUXHBGHRSA-N	0	0	575.735	3.082	50	0		KGAARN
O=C(NCCCN1CCN(c2ccccc2F)CC1)C1CCN(S(=O)(=O)c2cccc3cccnc32)CC1	ZINC000101406558	554761694	/nfs/dbraw/zinc/76/16/94/554761694.db2.gz	HPMSIMWLRCBKAW-UHFFFAOYSA-N	0	0	539.677	3.103	50	0		KGAARN
O=C(COc1ccccc1C(=O)NCc1ccccc1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1	ZINC000101406911	554761979	/nfs/dbraw/zinc/76/19/79/554761979.db2.gz	GBCYXDXGPVJALO-UHFFFAOYSA-N	0	0	528.030	3.182	50	0		KGAARN
C[C@H]1CN(c2nc3ccccc3nc2SCC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)C[C@H](C)O1	ZINC000101408266	554762877	/nfs/dbraw/zinc/76/28/77/554762877.db2.gz	CDLYTXXFOBWNOQ-OALUTQOASA-N	0	0	559.689	3.008	50	0		KGAARN
C[C@@H]1CN(c2nc3ccccc3nc2SCC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)C[C@H](C)O1	ZINC000101408267	554762916	/nfs/dbraw/zinc/76/29/16/554762916.db2.gz	CDLYTXXFOBWNOQ-KDURUIRLSA-N	0	0	559.689	3.008	50	0		KGAARN
C[C@@H]1CN(c2nc3ccccc3nc2SCC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)C[C@@H](C)O1	ZINC000101408270	554762910	/nfs/dbraw/zinc/76/29/10/554762910.db2.gz	CDLYTXXFOBWNOQ-RTBURBONSA-N	0	0	559.689	3.008	50	0		KGAARN
COc1ccc(S(=O)(=O)N2CCN(C(=O)CSc3nc4ccccc4nc3N3CCCCC3)CC2)cc1	ZINC000101408298	554762857	/nfs/dbraw/zinc/76/28/57/554762857.db2.gz	KISJRKPKSDMXKN-UHFFFAOYSA-N	0	0	541.699	3.254	50	0		KGAARN
O=C(CSc1nc2ccccc2nc1N1CCCCC1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1	ZINC000101408301	554762866	/nfs/dbraw/zinc/76/28/66/554762866.db2.gz	GXZSUFMSDJMDJW-UHFFFAOYSA-N	0	0	529.663	3.384	50	0		KGAARN
COc1ccc(S(=O)(=O)N2CCN(C(=O)CSc3nc4ccccc4nc3N3CCC(C)CC3)CC2)cc1	ZINC000101408316	554763150	/nfs/dbraw/zinc/76/31/50/554763150.db2.gz	CGUWNGAAZWNTQR-UHFFFAOYSA-N	0	0	555.726	3.500	50	0		KGAARN
CCOC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(-c3ccc(S(=O)(=O)N4CCC[C@H](C(=O)OCC)C4)cc3)cc2)C1	ZINC000101410814	554763695	/nfs/dbraw/zinc/76/36/95/554763695.db2.gz	VVQQHSXLBZZYIC-PSWAGMNNSA-N	0	0	592.736	3.281	50	0		KGAARN
CCOC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(-c3ccc(S(=O)(=O)N4CCC[C@H](C(=O)OCC)C4)cc3)cc2)C1	ZINC000101410816	554763646	/nfs/dbraw/zinc/76/36/46/554763646.db2.gz	VVQQHSXLBZZYIC-ZEQRLZLVSA-N	0	0	592.736	3.281	50	0		KGAARN
CCOC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Oc3ccc(S(=O)(=O)N4CCC[C@H](C(=O)OCC)C4)cc3)cc2)C1	ZINC000101410820	554763639	/nfs/dbraw/zinc/76/36/39/554763639.db2.gz	BCXMYBKRMDKWPZ-SZPZYZBQSA-N	0	0	608.735	3.407	50	0		KGAARN
CCOC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Oc3ccc(S(=O)(=O)N4CCC[C@H](C(=O)OCC)C4)cc3)cc2)C1	ZINC000101410822	554763713	/nfs/dbraw/zinc/76/37/13/554763713.db2.gz	BCXMYBKRMDKWPZ-VXKWHMMOSA-N	0	0	608.735	3.407	50	0		KGAARN
CCOC(=O)N1CCC(N2C(=O)c3ccc(C(=O)Nc4ccc(S(=O)(=O)N(CC)CC)cc4)cc3C2=O)CC1	ZINC000101412053	554763905	/nfs/dbraw/zinc/76/39/05/554763905.db2.gz	IGYCRBVJMMNXLZ-UHFFFAOYSA-N	0	0	556.641	3.186	50	0		KGAARN
CCOC(=O)N1CCC(N2C(=O)c3ccc(C(=O)Nc4ccc(S(=O)(=O)N5CCCCC5)cc4)cc3C2=O)CC1	ZINC000101412057	554764255	/nfs/dbraw/zinc/76/42/55/554764255.db2.gz	UYDYQHCKISGJFA-UHFFFAOYSA-N	0	0	568.652	3.330	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(Cc3ccc(OC)c(OC)c3OC)CC2)NC(=O)N[C@@H]1c1ccc(Cl)cc1	ZINC000101415266	554764469	/nfs/dbraw/zinc/76/44/69/554764469.db2.gz	UTAAOKBUEBAVGZ-XMMPIXPASA-N	0	0	559.063	3.355	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(Cc3ccc(OC)c(OC)c3OC)CC2)NC(=O)N[C@H]1c1ccc(Cl)cc1	ZINC000101415272	554764364	/nfs/dbraw/zinc/76/43/64/554764364.db2.gz	UTAAOKBUEBAVGZ-DEOSSOPVSA-N	0	0	559.063	3.355	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(Cc3ccc4c(c3)OCO4)CC2)NC(=O)N[C@@H]1c1ccc(OC(C)C)cc1	ZINC000101415530	554764677	/nfs/dbraw/zinc/76/46/77/554764677.db2.gz	HTYYFWFXIAGTKF-HHHXNRCGSA-N	0	0	536.629	3.191	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(Cc3ccc4c(c3)OCO4)CC2)NC(=O)N[C@H]1c1ccc(OC(C)C)cc1	ZINC000101415533	554764635	/nfs/dbraw/zinc/76/46/35/554764635.db2.gz	HTYYFWFXIAGTKF-MHZLTWQESA-N	0	0	536.629	3.191	50	0		KGAARN
CCn1cc(C(=O)NC[C@@H]2COc3ccccc3O2)c(=O)c2cc(S(=O)(=O)N3C[C@H](C)C[C@H](C)C3)ccc21	ZINC000101417558	554766279	/nfs/dbraw/zinc/76/62/79/554766279.db2.gz	YYQGLJQDXAUSBR-HSALFYBXSA-N	0	0	539.654	3.258	50	0		KGAARN
CCn1cc(C(=O)NC[C@@H]2COc3ccccc3O2)c(=O)c2cc(S(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)ccc21	ZINC000101417562	554766237	/nfs/dbraw/zinc/76/62/37/554766237.db2.gz	YYQGLJQDXAUSBR-SLFFLAALSA-N	0	0	539.654	3.258	50	0		KGAARN
CCn1cc(C(=O)NC[C@@H]2COc3ccccc3O2)c(=O)c2cc(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)ccc21	ZINC000101417567	554766277	/nfs/dbraw/zinc/76/62/77/554766277.db2.gz	YYQGLJQDXAUSBR-VAMGGRTRSA-N	0	0	539.654	3.258	50	0		KGAARN
CSCC[C@H](NC(=O)[C@H]1N2C(=O)c3ccccc3[C@@H]2SC1(C)C)C(=O)NCc1ccc2c(c1)OCO2	ZINC000101418708	554766696	/nfs/dbraw/zinc/76/66/96/554766696.db2.gz	BAWDCSILHNOUQY-HCYUJWNOSA-N	0	0	527.668	3.318	50	0		KGAARN
CSCC[C@H](NC(=O)[C@H]1N2C(=O)c3ccccc3[C@H]2SC1(C)C)C(=O)NCc1ccc2c(c1)OCO2	ZINC000101418709	554766687	/nfs/dbraw/zinc/76/66/87/554766687.db2.gz	BAWDCSILHNOUQY-NXQMDHLFSA-N	0	0	527.668	3.318	50	0		KGAARN
Cc1c(C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)sc2ncn(Cc3ccccc3)c(=O)c12	ZINC000101424311	554767979	/nfs/dbraw/zinc/76/79/79/554767979.db2.gz	IFXCRBOVGYIMBB-UHFFFAOYSA-N	0	0	524.624	3.088	50	0		KGAARN
Cc1c(C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)sc2ncn(CCc3ccccc3)c(=O)c12	ZINC000101424314	554768021	/nfs/dbraw/zinc/76/80/21/554768021.db2.gz	IDPPUPRAWWWPSA-UHFFFAOYSA-N	0	0	538.651	3.282	50	0		KGAARN
Cc1cccc(N2CCN(C(=O)CN3c4cc(S(=O)(=O)N5C[C@H](C)C[C@H](C)C5)ccc4OCC3=O)C[C@@H]2C)c1	ZINC000101424971	554768213	/nfs/dbraw/zinc/76/82/13/554768213.db2.gz	APQGVCIANGVOOE-ZRBLBEILSA-N	0	0	554.713	3.124	50	0		KGAARN
Cc1cccc(N2CCN(C(=O)CN3c4cc(S(=O)(=O)N5C[C@H](C)C[C@H](C)C5)ccc4OCC3=O)C[C@H]2C)c1	ZINC000101424975	554768259	/nfs/dbraw/zinc/76/82/59/554768259.db2.gz	APQGVCIANGVOOE-XPWALMASSA-N	0	0	554.713	3.124	50	0		KGAARN
COc1cc2nc(=S)n3c(O)c(CCC(=O)N4CCN(c5cc(Cl)ccc5C)CC4)[nH]c3c2cc1OC	ZINC000101425502	554768539	/nfs/dbraw/zinc/76/85/39/554768539.db2.gz	JUZUFRNYGQJWCQ-GOSISDBHSA-N	0	0	542.061	3.462	50	0		KGAARN
COc1cc2nc(=S)n3c(O)c(CCC(=O)N4CCN(c5cc(Cl)ccc5C)CC4)[nH]c3c2cc1OC	ZINC000101425506	554768472	/nfs/dbraw/zinc/76/84/72/554768472.db2.gz	JUZUFRNYGQJWCQ-SFHVURJKSA-N	0	0	542.061	3.462	50	0		KGAARN
C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2ccc3c(c2)N(CC(=O)N2CCN(c4cccc(Cl)c4)CC2)C(=O)CO3)C1	ZINC000101425975	554768714	/nfs/dbraw/zinc/76/87/14/554768714.db2.gz	FYXFXCQVOWMFNK-BGYRXZFFSA-N	0	0	561.104	3.081	50	0		KGAARN
C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc3c(c2)N(CC(=O)N2CCN(c4cccc(Cl)c4)CC2)C(=O)CO3)C1	ZINC000101425977	554768762	/nfs/dbraw/zinc/76/87/62/554768762.db2.gz	FYXFXCQVOWMFNK-PMACEKPBSA-N	0	0	561.104	3.081	50	0		KGAARN
C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc3c(c2)N(CC(=O)N2CCN(c4cccc(Cl)c4)CC2)C(=O)CO3)C1	ZINC000101425981	554768729	/nfs/dbraw/zinc/76/87/29/554768729.db2.gz	FYXFXCQVOWMFNK-WOJBJXKFSA-N	0	0	561.104	3.081	50	0		KGAARN
Cc1ccc(Cl)cc1N1CCN(C(=O)CN2C(=O)COc3ccc(S(=O)(=O)N4C[C@H](C)C[C@H](C)C4)cc32)CC1	ZINC000101426062	554768732	/nfs/dbraw/zinc/76/87/32/554768732.db2.gz	JNLZDNAECVCBMT-BGYRXZFFSA-N	0	0	575.131	3.389	50	0		KGAARN
Cc1ccc(Cl)cc1N1CCN(C(=O)CN2C(=O)COc3ccc(S(=O)(=O)N4C[C@@H](C)C[C@H](C)C4)cc32)CC1	ZINC000101426065	554768696	/nfs/dbraw/zinc/76/86/96/554768696.db2.gz	JNLZDNAECVCBMT-PMACEKPBSA-N	0	0	575.131	3.389	50	0		KGAARN
Cc1ccc(Cl)cc1N1CCN(C(=O)CN2C(=O)COc3ccc(S(=O)(=O)N4C[C@H](C)C[C@@H](C)C4)cc32)CC1	ZINC000101426068	554768726	/nfs/dbraw/zinc/76/87/26/554768726.db2.gz	JNLZDNAECVCBMT-WOJBJXKFSA-N	0	0	575.131	3.389	50	0		KGAARN
CCOC(=O)c1cnn(CCOC(=O)c2cc(OC)c(OC)c(OC)c2)c1NC(=O)c1cc(OC)c(OC)c(OC)c1	ZINC000101426443	554768951	/nfs/dbraw/zinc/76/89/51/554768951.db2.gz	KJGANPREUFVCGD-UHFFFAOYSA-N	0	0	587.582	3.221	50	0		KGAARN
COc1ccccc1N1CCN([C@H](c2cccs2)[C@H](C)NC(=O)C(=O)NCc2ccc3c(c2)OCO3)CC1	ZINC000101428464	554769419	/nfs/dbraw/zinc/76/94/19/554769419.db2.gz	FNUXESMFIXHDAZ-SIBVEZHUSA-N	0	0	536.654	3.170	50	0		KGAARN
COc1ccccc1N1CCN([C@H](c2cccs2)[C@@H](C)NC(=O)C(=O)NCc2ccc3c(c2)OCO3)CC1	ZINC000101428468	554769443	/nfs/dbraw/zinc/76/94/43/554769443.db2.gz	FNUXESMFIXHDAZ-BCHFMIIMSA-N	0	0	536.654	3.170	50	0		KGAARN
COc1ccccc1N1CCN([C@@H](c2cccs2)[C@H](C)NC(=O)C(=O)NCc2ccc3c(c2)OCO3)CC1	ZINC000101428473	554769358	/nfs/dbraw/zinc/76/93/58/554769358.db2.gz	FNUXESMFIXHDAZ-AFMDSPMNSA-N	0	0	536.654	3.170	50	0		KGAARN
COc1ccccc1N1CCN([C@@H](c2cccs2)[C@@H](C)NC(=O)C(=O)NCc2ccc3c(c2)OCO3)CC1	ZINC000101428477	554769402	/nfs/dbraw/zinc/76/94/02/554769402.db2.gz	FNUXESMFIXHDAZ-NIYFSFCBSA-N	0	0	536.654	3.170	50	0		KGAARN
COc1ccc(CCNC(=O)C(=O)N[C@@H](C)[C@@H](c2cccs2)N2CCN(c3ccccc3OC)CC2)cc1	ZINC000101428858	554769352	/nfs/dbraw/zinc/76/93/52/554769352.db2.gz	ZZEKOECNGDTVRR-IDISGSTGSA-N	0	0	536.698	3.492	50	0		KGAARN
COc1ccc(CCNC(=O)C(=O)N[C@H](C)[C@@H](c2cccs2)N2CCN(c3ccccc3OC)CC2)cc1	ZINC000101428860	554769316	/nfs/dbraw/zinc/76/93/16/554769316.db2.gz	ZZEKOECNGDTVRR-ZBLYBZFDSA-N	0	0	536.698	3.492	50	0		KGAARN
COc1ccc(CCNC(=O)C(=O)N[C@@H](C)[C@H](c2cccs2)N2CCN(c3ccccc3OC)CC2)cc1	ZINC000101428862	554769322	/nfs/dbraw/zinc/76/93/22/554769322.db2.gz	ZZEKOECNGDTVRR-KDYSTLNUSA-N	0	0	536.698	3.492	50	0		KGAARN
COc1ccc(CCNC(=O)C(=O)N[C@H](C)[C@H](c2cccs2)N2CCN(c3ccccc3OC)CC2)cc1	ZINC000101428864	554769390	/nfs/dbraw/zinc/76/93/90/554769390.db2.gz	ZZEKOECNGDTVRR-JIPXPUAJSA-N	0	0	536.698	3.492	50	0		KGAARN
COc1ccc(-c2cc(C(=O)Nc3sc4c(c3C(=O)N[C@@H]3CCS(=O)(=O)C3)CCCC4)no2)cc1OC	ZINC000101429695	554769812	/nfs/dbraw/zinc/76/98/12/554769812.db2.gz	MLPABBIUTIMNQS-OAHLLOKOSA-N	0	0	545.639	3.468	50	0		KGAARN
COc1ccc(-c2cc(C(=O)Nc3sc4c(c3C(=O)N[C@H]3CCS(=O)(=O)C3)CCCC4)no2)cc1OC	ZINC000101429698	554769855	/nfs/dbraw/zinc/76/98/55/554769855.db2.gz	MLPABBIUTIMNQS-HNNXBMFYSA-N	0	0	545.639	3.468	50	0		KGAARN
O=C([C@H](Cc1ccccc1)NS(=O)(=O)c1cccc2nsnc21)N1CCN(c2ccccc2F)CC1	ZINC000101430170	554770344	/nfs/dbraw/zinc/77/03/44/554770344.db2.gz	YWFRIGWWVBMUAR-NRFANRHFSA-N	0	0	525.631	3.069	50	0		KGAARN
O=C([C@@H](Cc1ccccc1)NS(=O)(=O)c1cccc2nsnc21)N1CCN(c2ccccc2F)CC1	ZINC000101430175	554770330	/nfs/dbraw/zinc/77/03/30/554770330.db2.gz	YWFRIGWWVBMUAR-OAQYLSRUSA-N	0	0	525.631	3.069	50	0		KGAARN
COc1cccc(NC(=O)Cn2c3cc(C(=O)NCc4ccco4)ccc3c(=O)n(-c3ccccc3)c2=O)c1	ZINC000101432324	554770543	/nfs/dbraw/zinc/77/05/43/554770543.db2.gz	SJDWGJMGJYLQST-UHFFFAOYSA-N	0	0	524.533	3.323	50	0		KGAARN
O=C(Cn1c(=O)n(-c2ccccc2)c(=O)c2ccc(C(=O)NCc3ccco3)cc21)N1CCN(c2ccccc2)CC1	ZINC000101432343	554770583	/nfs/dbraw/zinc/77/05/83/554770583.db2.gz	LMZKNYGXSCUYSF-UHFFFAOYSA-N	0	0	563.614	3.024	50	0		KGAARN
COC(=O)c1ccccc1NC(=O)Cn1c2cc(C(=O)NCc3ccco3)ccc2c(=O)n(-c2ccccc2)c1=O	ZINC000101432346	554770505	/nfs/dbraw/zinc/77/05/05/554770505.db2.gz	WZRRYYJFHSDTMK-UHFFFAOYSA-N	0	0	552.543	3.101	50	0		KGAARN
COc1ccc(NC(=O)Cn2c3cc(C(=O)NCc4ccco4)ccc3c(=O)n(-c3ccccc3)c2=O)cc1	ZINC000101432352	554770572	/nfs/dbraw/zinc/77/05/72/554770572.db2.gz	VWDBITBRUAMSKN-UHFFFAOYSA-N	0	0	524.533	3.323	50	0		KGAARN
Cc1ccc(-n2c(=O)c3ccc(C(=O)NCc4ccco4)cc3n(CC(=O)N3CCN(c4ccccc4)CC3)c2=O)cc1	ZINC000101432380	554770566	/nfs/dbraw/zinc/77/05/66/554770566.db2.gz	XFBJKOKBCCYXTK-UHFFFAOYSA-N	0	0	577.641	3.333	50	0		KGAARN
O=C(Cn1c2cc(C(=O)NCc3ccc4c(c3)OCO4)ccc2c(=O)n(-c2ccccc2)c1=O)N1CCN(c2ccccc2)CC1	ZINC000101432432	554770855	/nfs/dbraw/zinc/77/08/55/554770855.db2.gz	VFQWKLJBTUQBSN-UHFFFAOYSA-N	0	0	617.662	3.160	50	0		KGAARN
COC(=O)c1ccccc1NC(=O)Cn1c2cc(C(=O)NCc3ccc4c(c3)OCO4)ccc2c(=O)n(-c2ccccc2)c1=O	ZINC000101432433	554770851	/nfs/dbraw/zinc/77/08/51/554770851.db2.gz	AVULJAQPBCIFLA-UHFFFAOYSA-N	0	0	606.591	3.236	50	0		KGAARN
COc1ccc(-n2c(=O)c3ccc(C(=O)NCc4ccc(C)cc4)cc3n(CC(=O)NCc3ccco3)c2=O)cc1	ZINC000101432534	554771040	/nfs/dbraw/zinc/77/10/40/554771040.db2.gz	UBZXNIBKGVWBDY-UHFFFAOYSA-N	0	0	552.587	3.309	50	0		KGAARN
COc1ccc(-n2c(=O)c3ccc(C(=O)NCCc4ccccc4)cc3n(CC(=O)NCc3ccco3)c2=O)cc1	ZINC000101432593	554771055	/nfs/dbraw/zinc/77/10/55/554771055.db2.gz	CDEQOFMTNAZMER-UHFFFAOYSA-N	0	0	552.587	3.043	50	0		KGAARN
Cc1ccccc1NC(=O)Cn1c2cc(C(=O)NCCc3ccccc3)ccc2c(=O)n(C[C@@H]2CCCO2)c1=O	ZINC000101432733	554771193	/nfs/dbraw/zinc/77/11/93/554771193.db2.gz	WPGYBYMFUNFXOW-DEOSSOPVSA-N	0	0	540.620	3.262	50	0		KGAARN
Cc1ccccc1NC(=O)Cn1c2cc(C(=O)NCCc3ccccc3)ccc2c(=O)n(C[C@H]2CCCO2)c1=O	ZINC000101432735	554771210	/nfs/dbraw/zinc/77/12/10/554771210.db2.gz	WPGYBYMFUNFXOW-XMMPIXPASA-N	0	0	540.620	3.262	50	0		KGAARN
O=C(Cn1c(=O)n(Cc2ccc3c(c2)OCO3)c(=O)c2ccc(C(=O)NCc3ccccc3Cl)cc21)NCc1ccco1	ZINC000101432833	554771439	/nfs/dbraw/zinc/77/14/39/554771439.db2.gz	HJCVWZRLEVBEPV-UHFFFAOYSA-N	0	0	601.015	3.433	50	0		KGAARN
CCOc1ccc(NC(=O)Cn2c3cc(C(=O)NCCc4ccccc4)ccc3c(=O)n(C[C@@H]3CCCO3)c2=O)cc1	ZINC000101432853	554771446	/nfs/dbraw/zinc/77/14/46/554771446.db2.gz	CRYGUJMYBVFWSO-SANMLTNESA-N	0	0	570.646	3.352	50	0		KGAARN
CCOc1ccc(NC(=O)Cn2c3cc(C(=O)NCCc4ccccc4)ccc3c(=O)n(C[C@H]3CCCO3)c2=O)cc1	ZINC000101432858	554771487	/nfs/dbraw/zinc/77/14/87/554771487.db2.gz	CRYGUJMYBVFWSO-AREMUKBSSA-N	0	0	570.646	3.352	50	0		KGAARN
CCOC(=O)c1ccccc1NC(=O)Cn1c2cc(C(=O)NCCc3ccccc3)ccc2c(=O)n(C[C@@H]2CCCO2)c1=O	ZINC000101432862	554771491	/nfs/dbraw/zinc/77/14/91/554771491.db2.gz	FYMAFVDGZHZQMN-DEOSSOPVSA-N	0	0	598.656	3.130	50	0		KGAARN
CCOC(=O)c1ccccc1NC(=O)Cn1c2cc(C(=O)NCCc3ccccc3)ccc2c(=O)n(C[C@H]2CCCO2)c1=O	ZINC000101432863	554771429	/nfs/dbraw/zinc/77/14/29/554771429.db2.gz	FYMAFVDGZHZQMN-XMMPIXPASA-N	0	0	598.656	3.130	50	0		KGAARN
CCOc1ccccc1NC(=O)Cn1c2cc(C(=O)NCCc3ccccc3)ccc2c(=O)n(C[C@@H]2CCCO2)c1=O	ZINC000101432881	554771432	/nfs/dbraw/zinc/77/14/32/554771432.db2.gz	AIUJPIZXPBJJCZ-DEOSSOPVSA-N	0	0	570.646	3.352	50	0		KGAARN
CCOc1ccccc1NC(=O)Cn1c2cc(C(=O)NCCc3ccccc3)ccc2c(=O)n(C[C@H]2CCCO2)c1=O	ZINC000101432884	554771449	/nfs/dbraw/zinc/77/14/49/554771449.db2.gz	AIUJPIZXPBJJCZ-XMMPIXPASA-N	0	0	570.646	3.352	50	0		KGAARN
COc1ccc(OC)c(NC(=O)Cn2c3cc(C(=O)NCCc4ccccc4)ccc3c(=O)n(Cc3ccco3)c2=O)c1	ZINC000101432962	554771578	/nfs/dbraw/zinc/77/15/78/554771578.db2.gz	CIFWWKGVVZMEKC-UHFFFAOYSA-N	0	0	582.613	3.433	50	0		KGAARN
COc1ccc(NC(=O)Cn2c3cc(C(=O)NCCc4ccccc4)ccc3c(=O)n(Cc3ccco3)c2=O)cc1	ZINC000101432966	554771668	/nfs/dbraw/zinc/77/16/68/554771668.db2.gz	LLJNYVHFPYKTOD-UHFFFAOYSA-N	0	0	552.587	3.424	50	0		KGAARN
O=C(Cn1c2cc(C(=O)NCCc3ccccc3)ccc2c(=O)n(Cc2ccco2)c1=O)NCCc1ccccc1	ZINC000101432971	554771673	/nfs/dbraw/zinc/77/16/73/554771673.db2.gz	KLJZADVFMRLRRE-UHFFFAOYSA-N	0	0	550.615	3.136	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC(C)=O)c(OC)c3)c(=O)n2[C@@H]1c1ccc(Cl)cc1	ZINC000101437782	554772294	/nfs/dbraw/zinc/77/22/94/554772294.db2.gz	GGCIWCMRHAMHNC-FJWZAKCXSA-N	0	0	526.998	3.386	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC(C)=O)c(OC)c3)c(=O)n2[C@H]1c1ccc(Cl)cc1	ZINC000101437786	554772308	/nfs/dbraw/zinc/77/23/08/554772308.db2.gz	GGCIWCMRHAMHNC-RQLGBQGVSA-N	0	0	526.998	3.386	50	0		KGAARN
CC(=O)N1CCCc2cc(S(=O)(=O)N3CCC(C(=O)N4CCN(c5cc(C)ccc5C)CC4)CC3)ccc21	ZINC000101438600	554772490	/nfs/dbraw/zinc/77/24/90/554772490.db2.gz	WHHPMUUNTANGHB-UHFFFAOYSA-N	0	0	538.714	3.352	50	0		KGAARN
CCOC(=O)C1=C(C(F)(F)F)N=C2SC=C(CC(=O)N3CCN(C(C)=O)CC3)N2[C@@H]1c1ccccc1	ZINC000101439991	554772461	/nfs/dbraw/zinc/77/24/61/554772461.db2.gz	GLUHCNRDIYJGSH-HXUWFJFHSA-N	0	0	522.549	3.448	50	0		KGAARN
CCOC(=O)C1=C(C(F)(F)F)N=C2SC=C(CC(=O)N3CCN(C(C)=O)CC3)N2[C@H]1c1ccccc1	ZINC000101439992	554772465	/nfs/dbraw/zinc/77/24/65/554772465.db2.gz	GLUHCNRDIYJGSH-FQEVSTJZSA-N	0	0	522.549	3.448	50	0		KGAARN
COc1ccc(CCNC(=O)/C(=C/c2cn(S(=O)(=O)N(C)C)c3ccccc23)NC(=O)c2ccccc2)cc1OC	ZINC000101440641	554773155	/nfs/dbraw/zinc/77/31/55/554773155.db2.gz	RLURRJACOMYWJV-PLRJNAJWSA-N	0	0	576.675	3.443	50	0		KGAARN
CC(=O)N1CCN(C(=O)c2ccc(N3CC4CC(C3)c3cccc(=O)n3C4)c(NC(=O)c3cc4ccccc4oc3=O)c2)CC1	ZINC000101441054	554773199	/nfs/dbraw/zinc/77/31/99/554773199.db2.gz	UTTNTVFWYXHYLM-RDGATRHJSA-N	0	0	607.667	3.135	50	0		KGAARN
COc1cc(C(=O)Nc2cc(C(=O)N3CCN(C(C)=O)CC3)ccc2N2CC3CC(C2)c2cccc(=O)n2C3)cc(OC)c1OC	ZINC000101441072	554773358	/nfs/dbraw/zinc/77/33/58/554773358.db2.gz	UENXEMKQPDTIQM-RDGATRHJSA-N	0	0	629.714	3.054	50	0		KGAARN
CC(=O)N1CCN(C(=O)c2ccc(N3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)c(NC(=O)c3ccc(Br)o3)c2)CC1	ZINC000101441105	554773373	/nfs/dbraw/zinc/77/33/73/554773373.db2.gz	XHYAUSFOZXOELA-CTNGQTDRSA-N	0	0	608.493	3.384	50	0		KGAARN
CC(=O)N1CCN(C(=O)c2ccc(N3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)c(NC(=O)c3ccc(F)cc3)c2)CC1	ZINC000101441117	554773386	/nfs/dbraw/zinc/77/33/86/554773386.db2.gz	ZYECJKRMWFJXAK-QPPBQGQZSA-N	0	0	557.626	3.168	50	0		KGAARN
COc1cc(C(=O)N/C(=C\c2cn(S(=O)(=O)N(C)C)c3ccccc23)C(=O)NCc2ccco2)cc(OC)c1OC	ZINC000101442971	554773597	/nfs/dbraw/zinc/77/35/97/554773597.db2.gz	JPKBPABUNANPFO-XKZIYDEJSA-N	0	0	582.635	3.002	50	0		KGAARN
COc1ccccc1C(=O)N/C(=C\c1cn(S(=O)(=O)N(C)C)c2ccccc12)C(=O)NCc1ccccc1	ZINC000101443019	554773528	/nfs/dbraw/zinc/77/35/28/554773528.db2.gz	ZLOOFDHELBALGF-ULJHMMPZSA-N	0	0	532.622	3.392	50	0		KGAARN
COc1ccc(C(=O)N/C(=C\c2cn(S(=O)(=O)N(C)C)c3ccccc23)C(=O)NCc2ccccc2)cc1	ZINC000101443022	554773561	/nfs/dbraw/zinc/77/35/61/554773561.db2.gz	XGOVKBQNASDIBK-UQQQWYQISA-N	0	0	532.622	3.392	50	0		KGAARN
COc1cc(C(=O)N/C(=C\c2cn(S(=O)(=O)N(C)C)c3ccccc23)C(=O)N2CCCCC2)cc(OC)c1OC	ZINC000101443136	554773539	/nfs/dbraw/zinc/77/35/39/554773539.db2.gz	IJHIGXNBWHTOJP-JCMHNJIXSA-N	0	0	570.668	3.105	50	0		KGAARN
COc1cc(C(=O)N/C(=C\c2cn(S(=O)(=O)N(C)C)c3ccccc23)C(=O)N2CCCCCC2)cc(OC)c1OC	ZINC000101443276	554773567	/nfs/dbraw/zinc/77/35/67/554773567.db2.gz	WWJBNSVBGUIEFA-KQWNVCNZSA-N	0	0	584.695	3.495	50	0		KGAARN
COc1ccc(C(=O)N/C(=C\c2cn(S(=O)(=O)N(C)C)c3ccccc23)C(=O)N2CCCCC2)cc1OC	ZINC000101443360	554773850	/nfs/dbraw/zinc/77/38/50/554773850.db2.gz	OURMLQJICDNCNW-JWGURIENSA-N	0	0	540.642	3.096	50	0		KGAARN
COc1ccc(C(=O)N/C(=C\c2cn(S(=O)(=O)N(C)C)c3ccccc23)C(=O)N2CCCCCC2)cc1OC	ZINC000101443538	554773816	/nfs/dbraw/zinc/77/38/16/554773816.db2.gz	SRDQHPMOSQQUSC-QJOMJCCJSA-N	0	0	554.669	3.487	50	0		KGAARN
COc1ccc(OC)c2nc(N3CCN(C(C)=O)CC3)c(CN(C[C@@H]3CCCO3)C(=O)c3cc(C)c(C)[nH]c3=O)cc12	ZINC000101443582	1059007624	/nfs/dbraw/zinc/00/76/24/1059007624.db2.gz	QOAYTZJNJPZJTG-QHCPKHFHSA-N	0	0	577.682	3.047	50	0		KGAARN
COc1ccc(OC)c2nc(N3CCN(C(C)=O)CC3)c(CN(C[C@H]3CCCO3)C(=O)c3cc(C)c(C)[nH]c3=O)cc12	ZINC000101443584	1059007541	/nfs/dbraw/zinc/00/75/41/1059007541.db2.gz	QOAYTZJNJPZJTG-HSZRJFAPSA-N	0	0	577.682	3.047	50	0		KGAARN
COc1ccc(CCNC(=O)/C(=C/c2cn(S(=O)(=O)N(C)C)c3ccccc23)NC(=O)c2ccccc2OC)cc1OC	ZINC000101445672	554773767	/nfs/dbraw/zinc/77/37/67/554773767.db2.gz	YRIWAXVUHYMKRS-PLRJNAJWSA-N	0	0	606.701	3.451	50	0		KGAARN
COc1ccc(C(=O)N/C(=C\c2cn(S(=O)(=O)N(C)C)c3ccccc23)C(=O)NCCc2ccc(OC)c(OC)c2)cc1	ZINC000101445681	554774096	/nfs/dbraw/zinc/77/40/96/554774096.db2.gz	AQYRZNHFENAOER-XHPQRKPJSA-N	0	0	606.701	3.451	50	0		KGAARN
COc1cc(C(=O)N/C(=C\c2cn(S(=O)(=O)N(C)C)c3ccccc23)C(=O)NCc2ccccc2)cc(OC)c1OC	ZINC000101445689	554774084	/nfs/dbraw/zinc/77/40/84/554774084.db2.gz	QIZXSFUTQVHDFW-IWIPYMOSSA-N	0	0	592.674	3.409	50	0		KGAARN
CCn1cc(C(=O)NCCN2CCN(c3cccc(Cl)c3)CC2)c(=O)c2cc(S(=O)(=O)N3CCCC3)ccc21	ZINC000101447357	554774306	/nfs/dbraw/zinc/77/43/06/554774306.db2.gz	APDDACCYUSOYRK-UHFFFAOYSA-N	0	0	572.131	3.011	50	0		KGAARN
COc1ccc(CNC(=O)CSc2nc3sc4c(c3c(=O)n2Cc2ccco2)CCN(C(C)=O)C4)cc1	ZINC000101447579	554774342	/nfs/dbraw/zinc/77/43/42/554774342.db2.gz	QQZWWLJREBQWTK-UHFFFAOYSA-N	0	0	538.651	3.421	50	0		KGAARN
CCOC(=O)N1CCC(NC(=O)c2cn(CC)c3ccc(S(=O)(=O)N(C)C4CCCCC4)cc3c2=O)CC1	ZINC000101447747	554774472	/nfs/dbraw/zinc/77/44/72/554774472.db2.gz	KZJJOGXDDNQVEG-UHFFFAOYSA-N	0	0	546.690	3.325	50	0		KGAARN
COc1ccc(NC(=O)CSc2nc3sc4c(c3c(=O)n2C[C@@H]2CCCO2)CCN(C(C)=O)C4)cc1	ZINC000101447774	554774435	/nfs/dbraw/zinc/77/44/35/554774435.db2.gz	SULVPKOQSADDNR-SFHVURJKSA-N	0	0	528.656	3.281	50	0		KGAARN
COc1ccc(NC(=O)CSc2nc3sc4c(c3c(=O)n2C[C@H]2CCCO2)CCN(C(C)=O)C4)cc1	ZINC000101447776	554774450	/nfs/dbraw/zinc/77/44/50/554774450.db2.gz	SULVPKOQSADDNR-GOSISDBHSA-N	0	0	528.656	3.281	50	0		KGAARN
CCn1cc(C(=O)N2CCN(Cc3ccccc3)CC2)c(=O)c2cc(S(=O)(=O)N3CCC(C)CC3)ccc21	ZINC000101447964	554774785	/nfs/dbraw/zinc/77/47/85/554774785.db2.gz	YWMYECYEQQKPLU-UHFFFAOYSA-N	0	0	536.698	3.400	50	0		KGAARN
CCn1cc(C(=O)N2CCN(c3ccccn3)CC2)c(=O)c2cc(S(=O)(=O)N3CCc4ccccc4C3)ccc21	ZINC000101448250	554774976	/nfs/dbraw/zinc/77/49/76/554774976.db2.gz	BRWDMWWPTREHNM-UHFFFAOYSA-N	0	0	557.676	3.126	50	0		KGAARN
CCOc1ccccc1NC(=O)Cn1c2sc3c(c2c(=O)n(CCc2ccccc2)c1=O)CCN(C(C)=O)C3	ZINC000101452884	554775820	/nfs/dbraw/zinc/77/58/20/554775820.db2.gz	WPFZGOQIENIWDS-UHFFFAOYSA-N	0	0	546.649	3.409	50	0		KGAARN
CCOc1ccc(NC(=O)Cn2c3sc4c(c3c(=O)n(-c3ccc(F)cc3)c2=O)CCN(C(C)=O)C4)cc1	ZINC000101453123	554776129	/nfs/dbraw/zinc/77/61/29/554776129.db2.gz	NPFQRWNFQLOGPH-UHFFFAOYSA-N	0	0	536.585	3.295	50	0		KGAARN
CCc1ccc(NC(=O)Cn2c3sc4c(c3c(=O)n(-c3ccccc3OC)c2=O)CCN(C(C)=O)C4)cc1	ZINC000101453320	554776058	/nfs/dbraw/zinc/77/60/58/554776058.db2.gz	SUUPCVCEPQRWEM-UHFFFAOYSA-N	0	0	532.622	3.328	50	0		KGAARN
COc1cc(S(=O)(=O)N2CCCN(S(=O)(=O)c3ccc(Br)c(OC)c3)CC2)ccc1Br	ZINC000101454604	554776478	/nfs/dbraw/zinc/77/64/78/554776478.db2.gz	LGLHBJJWRCJIOT-UHFFFAOYSA-N	0	0	598.335	3.314	50	0		KGAARN
COc1cc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(Br)c(OC)c3)[C@H](C)C2)ccc1Br	ZINC000101454681	554776506	/nfs/dbraw/zinc/77/65/06/554776506.db2.gz	RZWWUVWUDYDKAW-CYBMUJFWSA-N	0	0	598.335	3.313	50	0		KGAARN
COc1cc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(Br)c(OC)c3)[C@@H](C)C2)ccc1Br	ZINC000101454683	554776495	/nfs/dbraw/zinc/77/64/95/554776495.db2.gz	RZWWUVWUDYDKAW-ZDUSSCGKSA-N	0	0	598.335	3.313	50	0		KGAARN
O=C(NCc1ccc2c(c1)OCO2)c1cccnc1N1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1	ZINC000101454726	554776493	/nfs/dbraw/zinc/77/64/93/554776493.db2.gz	KBHLJIPWMXCVMP-UHFFFAOYSA-N	0	0	548.543	3.270	50	0		KGAARN
COc1ccc(CCNC(=O)c2cccnc2N2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)cc1OC	ZINC000101454885	554776675	/nfs/dbraw/zinc/77/66/75/554776675.db2.gz	FZSUWPLRAILNBF-UHFFFAOYSA-N	0	0	551.090	3.297	50	0		KGAARN
COc1ccc(CCNC(=O)c2cccnc2N2CCN(S(=O)(=O)c3cc(C)cc(C)c3)CC2)cc1OC	ZINC000101454965	554776861	/nfs/dbraw/zinc/77/68/61/554776861.db2.gz	LCNKBOFMVOMBHH-UHFFFAOYSA-N	0	0	538.670	3.199	50	0		KGAARN
Cc1ccc(C)c(CN2c3cc(C(=O)NCCN4CCOCC4)ccc3S(=O)(=O)c3ccccc3C2=O)c1	ZINC000101456877	554777580	/nfs/dbraw/zinc/77/75/80/554777580.db2.gz	OFONYUJJSSHABU-UHFFFAOYSA-N	0	0	533.650	3.359	50	0		KGAARN
O=C(NCc1cccc(C(F)(F)F)c1)c1coc(CN2CCN(C[C@H](O)COc3ccc(F)cc3)CC2)n1	ZINC000101458821	554777826	/nfs/dbraw/zinc/77/78/26/554777826.db2.gz	WNOBLVHWNWHPKQ-NRFANRHFSA-N	0	0	536.526	3.320	50	0		KGAARN
O=C(NCc1cccc(C(F)(F)F)c1)c1coc(CN2CCN(C[C@@H](O)COc3ccc(F)cc3)CC2)n1	ZINC000101458823	554777901	/nfs/dbraw/zinc/77/79/01/554777901.db2.gz	WNOBLVHWNWHPKQ-OAQYLSRUSA-N	0	0	536.526	3.320	50	0		KGAARN
COc1cc2c(cc1OC)[C@@H](c1cc(OC)c(OC)c(OC)c1)N(C(=S)NCCCN1CCOCC1)CC2	ZINC000101467673	554781033	/nfs/dbraw/zinc/78/10/33/554781033.db2.gz	SKIHRIOIBBCSNN-AREMUKBSSA-N	0	0	545.702	3.274	50	0	biogenic	KGAARN
COc1cc2c(cc1OC)[C@H](c1cc(OC)c(OC)c(OC)c1)N(C(=S)NCCCN1CCOCC1)CC2	ZINC000101467676	554781042	/nfs/dbraw/zinc/78/10/42/554781042.db2.gz	SKIHRIOIBBCSNN-SANMLTNESA-N	0	0	545.702	3.274	50	0	biogenic	KGAARN
COC(=O)c1sc(NC(=O)CN2C(=O)N[C@](C)(c3ccc(Cl)cc3Cl)C2=O)c(C(=O)OC)c1C	ZINC000101479559	554783171	/nfs/dbraw/zinc/78/31/71/554783171.db2.gz	RPDKHZYENPXTGZ-OAQYLSRUSA-N	0	0	528.370	3.342	50	0		KGAARN
COC(=O)c1sc(NC(=O)CN2C(=O)N[C@@](C)(c3ccc(Cl)cc3Cl)C2=O)c(C(=O)OC)c1C	ZINC000101479564	554783271	/nfs/dbraw/zinc/78/32/71/554783271.db2.gz	RPDKHZYENPXTGZ-NRFANRHFSA-N	0	0	528.370	3.342	50	0		KGAARN
CC(=O)Nc1ccc(C)cc1S(=O)(=O)N1CCN(Cc2nc3cc(C(=O)N4CCCCC4)ccc3o2)CC1	ZINC000101494771	554786578	/nfs/dbraw/zinc/78/65/78/554786578.db2.gz	KAYKRBDXWJWVEJ-UHFFFAOYSA-N	0	0	539.658	3.227	50	0		KGAARN
Cc1noc(/C=C/c2ccc(F)cc2F)c1S(=O)(=O)N1CCC(C(=O)N2CCC3(CC2)OCCO3)CC1	ZINC000101500261	554787960	/nfs/dbraw/zinc/78/79/60/554787960.db2.gz	QOUKDBNPVNTIOY-HWKANZROSA-N	0	0	537.585	3.198	50	0		KGAARN
CCOC(=O)N1CCc2c(sc3c2c(=O)n(Cc2ccccc2)c(=O)n3CC(=O)Nc2ccccc2OC)C1	ZINC000101504659	554789449	/nfs/dbraw/zinc/78/94/49/554789449.db2.gz	FJPRNLAHOKAROF-UHFFFAOYSA-N	0	0	548.621	3.435	50	0		KGAARN
Cc1cccc(N2CCN(C(=O)CN3C(=O)COc4ccc(S(=O)(=O)N5CCCCCC5)cc43)C[C@@H]2C)c1	ZINC000101507269	554791245	/nfs/dbraw/zinc/79/12/45/554791245.db2.gz	JZAXNEOFPIXIOY-QFIPXVFZSA-N	0	0	540.686	3.022	50	0		KGAARN
Cc1cccc(N2CCN(C(=O)CN3C(=O)COc4ccc(S(=O)(=O)N5CCCCCC5)cc43)C[C@H]2C)c1	ZINC000101507274	554791219	/nfs/dbraw/zinc/79/12/19/554791219.db2.gz	JZAXNEOFPIXIOY-JOCHJYFZSA-N	0	0	540.686	3.022	50	0		KGAARN
Cc1ccc(C)c(N2CCN(C(=O)CN3c4cc(S(=O)(=O)N5C[C@H](C)C[C@H](C)C5)ccc4OCC3=O)CC2)c1	ZINC000101507576	554791201	/nfs/dbraw/zinc/79/12/01/554791201.db2.gz	AGZMGBJCVJPHBF-SZPZYZBQSA-N	0	0	554.713	3.044	50	0		KGAARN
Cc1ccc(C)c(N2CCN(C(=O)CN3c4cc(S(=O)(=O)N5C[C@@H](C)C[C@H](C)C5)ccc4OCC3=O)CC2)c1	ZINC000101507579	554791096	/nfs/dbraw/zinc/79/10/96/554791096.db2.gz	AGZMGBJCVJPHBF-VXKWHMMOSA-N	0	0	554.713	3.044	50	0		KGAARN
Cc1ccc(C)c(N2CCN(C(=O)CN3c4cc(S(=O)(=O)N5C[C@H](C)C[C@@H](C)C5)ccc4OCC3=O)CC2)c1	ZINC000101507580	554791106	/nfs/dbraw/zinc/79/11/06/554791106.db2.gz	AGZMGBJCVJPHBF-FGZHOGPDSA-N	0	0	554.713	3.044	50	0		KGAARN
CC(=O)c1cccc(-n2c(=O)c3c4c(sc3n(CC(=O)OCc3ccccc3)c2=O)CN(C(C)=O)CC4)c1	ZINC000101517568	554793821	/nfs/dbraw/zinc/79/38/21/554793821.db2.gz	ZKKUVSPHKRAQLL-UHFFFAOYSA-N	0	0	531.590	3.065	50	0		KGAARN
O=C(Nc1cccc(Br)c1)[C@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1	ZINC000101517662	554793831	/nfs/dbraw/zinc/79/38/31/554793831.db2.gz	LEBTWHOGYIGLQS-JOCHJYFZSA-N	0	0	564.483	3.152	50	0		KGAARN
CC(=O)c1cccc(-n2c(=O)c3c4c(sc3n(CC(=O)Nc3ccc(C)cc3)c2=O)CN(C(C)=O)CC4)c1	ZINC000101517669	554793796	/nfs/dbraw/zinc/79/37/96/554793796.db2.gz	HFXQIOWQTQHILG-UHFFFAOYSA-N	0	0	530.606	3.268	50	0		KGAARN
CC(=O)c1cccc(-n2c(=O)c3c4c(sc3n(CC(=O)Nc3ccc(F)cc3)c2=O)CN(C(C)=O)CC4)c1	ZINC000101517712	554793855	/nfs/dbraw/zinc/79/38/55/554793855.db2.gz	WAIYLXLATINRFK-UHFFFAOYSA-N	0	0	534.569	3.099	50	0		KGAARN
CC(=O)c1cccc(-n2c(=O)c3c4c(sc3n(CC(=O)Nc3ccccc3C)c2=O)CN(C(C)=O)CC4)c1	ZINC000101517719	554793790	/nfs/dbraw/zinc/79/37/90/554793790.db2.gz	FBUOTCIISKLYKU-UHFFFAOYSA-N	0	0	530.606	3.268	50	0		KGAARN
CC(=O)c1cccc(-n2c(=O)c3c4c(sc3n(CC(=O)Nc3cccc(C)c3)c2=O)CN(C(C)=O)CC4)c1	ZINC000101517726	554793858	/nfs/dbraw/zinc/79/38/58/554793858.db2.gz	LSZRIMWXZZUOBG-UHFFFAOYSA-N	0	0	530.606	3.268	50	0		KGAARN
CC(=O)c1cccc(-n2c(=O)c3c4c(sc3n(CC(=O)Nc3ccc(C)c(F)c3)c2=O)CN(C(C)=O)CC4)c1	ZINC000101517747	554793825	/nfs/dbraw/zinc/79/38/25/554793825.db2.gz	BHPPTMUGOLMMGS-UHFFFAOYSA-N	0	0	548.596	3.407	50	0		KGAARN
O=C(Nc1ccc(Br)cc1)[C@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1	ZINC000101519162	554794004	/nfs/dbraw/zinc/79/40/04/554794004.db2.gz	KEOJEAWYTCQSGG-JOCHJYFZSA-N	0	0	564.483	3.152	50	0		KGAARN
COc1ccc(CCn2c(=O)c3cccnc3n(CC(=O)Nc3ccccc3C(F)(F)F)c2=O)cc1OC	ZINC000101522517	554794067	/nfs/dbraw/zinc/79/40/67/554794067.db2.gz	PTLIKVBXQHUWJO-UHFFFAOYSA-N	0	0	528.487	3.476	50	0		KGAARN
CCOC(=O)C1C(CN2CCN(Cc3ccc(OC)c(OC)c3OC)CC2)=NC(=O)N[C@@H]1c1ccc(C)cc1	ZINC000101550574	554796456	/nfs/dbraw/zinc/79/64/56/554796456.db2.gz	SGQTUFNUTLRFRK-RUZDIDTESA-N	0	0	538.645	3.010	50	0		KGAARN
CCOC(=O)C1C(CN2CCN(Cc3ccc(OC)c(OC)c3OC)CC2)=NC(=O)N[C@H]1c1ccc(C)cc1	ZINC000101550579	554796424	/nfs/dbraw/zinc/79/64/24/554796424.db2.gz	SGQTUFNUTLRFRK-VWLOTQADSA-N	0	0	538.645	3.010	50	0		KGAARN
NS(=O)(=O)c1ccc(CCNC(=O)C2CCN(c3nc4ccccc4n3Cc3ccccc3F)CC2)cc1	ZINC000101557180	554797162	/nfs/dbraw/zinc/79/71/62/554797162.db2.gz	MRJZJTDFNWUPSI-UHFFFAOYSA-N	0	0	535.645	3.446	50	0		KGAARN
NS(=O)(=O)c1ccc(CCNC(=O)C2CCN(c3nc4ccccc4n3Cc3cccc(F)c3)CC2)cc1	ZINC000101557636	554797190	/nfs/dbraw/zinc/79/71/90/554797190.db2.gz	VFMCYJNDYNBUCU-UHFFFAOYSA-N	0	0	535.645	3.446	50	0		KGAARN
CC(=O)Oc1c(Br)cc(Br)cc1C1=NN(C(C)=O)[C@@H](c2nc3nc(C)cc(C)n3n2)O1	ZINC000101580853	554800085	/nfs/dbraw/zinc/80/00/85/554800085.db2.gz	FFVRLIIMIWDAMC-GOSISDBHSA-N	0	0	552.183	3.431	50	0		KGAARN
CC(=O)Oc1c(Br)cc(Br)cc1C1=NN(C(C)=O)[C@H](c2nc3nc(C)cc(C)n3n2)O1	ZINC000101580858	554800110	/nfs/dbraw/zinc/80/01/10/554800110.db2.gz	FFVRLIIMIWDAMC-SFHVURJKSA-N	0	0	552.183	3.431	50	0		KGAARN
CC(=O)Oc1ccc(-n2c(=O)c3c(c2=O)c(Cl)c2c(=O)n(-c4ccc(OC(C)=O)cc4)c(=O)c2c3Cl)cc1	ZINC000101594187	1059010184	/nfs/dbraw/zinc/01/01/84/1059010184.db2.gz	YFRHWNVQNYCQDE-UHFFFAOYSA-N	0	0	553.310	3.048	50	0		KGAARN
CC(=O)N1CCN(C(=O)C2CCN(c3cccc4c3C(=O)N(Cc3cccc(C(F)(F)F)c3)C4=O)CC2)CC1	ZINC000101605763	554805096	/nfs/dbraw/zinc/80/50/96/554805096.db2.gz	FXUKTTVHHYITNF-UHFFFAOYSA-N	0	0	542.558	3.409	50	0		KGAARN
COc1ccc(Nc2nc(C(=O)N3CCN(CC(=O)N4CCN(CCc5ccccc5)CC4)CC3)cs2)cc1	ZINC000101606900	554805124	/nfs/dbraw/zinc/80/51/24/554805124.db2.gz	XYFNRUXBALVWGV-UHFFFAOYSA-N	0	0	548.713	3.040	50	0		KGAARN
CCOC(=O)c1c2c(sc1NC(=O)CSC1=N/C(=C/c3cnn(C)c3)C(=O)N1CCCOC)CCCC2	ZINC000101610725	554805698	/nfs/dbraw/zinc/80/56/98/554805698.db2.gz	YKIPSUKYUSWVMG-LDADJPATSA-N	0	0	545.687	3.485	50	0		KGAARN
CC(=O)c1cccc(NC(=O)CSc2nc3sc4c(c3c(=O)n2C[C@@H]2CCCO2)CCN(C(C)=O)C4)c1	ZINC000101616573	554806131	/nfs/dbraw/zinc/80/61/31/554806131.db2.gz	MNEKCVJRXAZCNY-IBGZPJMESA-N	0	0	540.667	3.475	50	0		KGAARN
CC(=O)c1cccc(NC(=O)CSc2nc3sc4c(c3c(=O)n2C[C@H]2CCCO2)CCN(C(C)=O)C4)c1	ZINC000101616578	554806147	/nfs/dbraw/zinc/80/61/47/554806147.db2.gz	MNEKCVJRXAZCNY-LJQANCHMSA-N	0	0	540.667	3.475	50	0		KGAARN
O=C(NN1C(=O)c2ccccc2C1=O)c1ccc(Oc2ccc(C(=O)NN3C(=O)c4ccccc4C3=O)cc2)cc1	ZINC000101621252	554809322	/nfs/dbraw/zinc/80/93/22/554809322.db2.gz	ZEXRISZYFHKWRR-UHFFFAOYSA-N	0	0	546.495	3.361	50	0		KGAARN
COC(=O)c1ccc2c(c1)[n-]c(=S)n(CCC(=O)NCCC[NH+]1CCN(c3cccc(Cl)c3)CC1)c2=O	ZINC000101623255	554810771	/nfs/dbraw/zinc/81/07/71/554810771.db2.gz	LVDKSSUYLOKRDV-UHFFFAOYSA-N	0	0	544.077	3.218	50	0		KGAARN
COC(=O)c1ccc2c(c1)[nH]c(=S)n(-c1cccc(C(=O)NCCN3CCN(c4ccccc4)CC3)c1)c2=O	ZINC000101623373	554810679	/nfs/dbraw/zinc/81/06/79/554810679.db2.gz	DFJJXQRSPRVDQL-UHFFFAOYSA-N	0	0	543.649	3.387	50	0		KGAARN
COc1cc(OC)c(NC(=O)C2CCN(S(=O)(=O)c3cc4c(cc3Cl)NC(=O)CO4)CC2)cc1Cl	ZINC000101623674	554810706	/nfs/dbraw/zinc/81/07/06/554810706.db2.gz	LJVKZJSYCRGFNV-UHFFFAOYSA-N	0	0	544.413	3.381	50	0		KGAARN
COC(=O)c1ccc2c(c1)[n-]c(=S)n(CCC(=O)NCCC[NH+]1CCN(c3cc(C)ccc3C)CC1)c2=O	ZINC000101623741	554810669	/nfs/dbraw/zinc/81/06/69/554810669.db2.gz	MOUOTTYQOPRLSL-UHFFFAOYSA-N	0	0	537.686	3.181	50	0		KGAARN
CC(=O)c1ccc(NC(=O)CSc2nc3sc4c(c3c(=O)n2C[C@@H]2CCCO2)CCN(C(C)=O)C4)cc1	ZINC000101624797	554811010	/nfs/dbraw/zinc/81/10/10/554811010.db2.gz	LCRXEHRINDYDPU-IBGZPJMESA-N	0	0	540.667	3.475	50	0		KGAARN
CC(=O)c1ccc(NC(=O)CSc2nc3sc4c(c3c(=O)n2C[C@H]2CCCO2)CCN(C(C)=O)C4)cc1	ZINC000101624800	554811006	/nfs/dbraw/zinc/81/10/06/554811006.db2.gz	LCRXEHRINDYDPU-LJQANCHMSA-N	0	0	540.667	3.475	50	0		KGAARN
Cc1nc2nc(CNC(=O)c3ccc(Br)o3)nn2c(C)c1CCC(=O)Nc1ccc2c(c1)OCO2	ZINC000101625411	554811304	/nfs/dbraw/zinc/81/13/04/554811304.db2.gz	SDBMECSXLVDVLQ-UHFFFAOYSA-N	0	0	541.362	3.327	50	0		KGAARN
Cc1ccc(S(=O)(=O)NCCc2nnc3ccc(SCC(=O)NCc4ccccc4Cl)nn32)cc1	ZINC000101626722	554811136	/nfs/dbraw/zinc/81/11/36/554811136.db2.gz	CMURWNSEXWCDBN-UHFFFAOYSA-N	0	0	531.063	3.016	50	0		KGAARN
COc1ccc(S(=O)(=O)NCCc2nnc3ccc(SCC(=O)Nc4ccc(OC(F)(F)F)cc4)nn32)cc1	ZINC000101626729	554811231	/nfs/dbraw/zinc/81/12/31/554811231.db2.gz	ZYFOFSNNDPZDJJ-UHFFFAOYSA-N	0	0	582.586	3.283	50	0		KGAARN
O=C(CSc1ccc2nnc(CCNS(=O)(=O)c3ccccc3)n2n1)Nc1cccc(C(F)(F)F)c1	ZINC000101626828	554811240	/nfs/dbraw/zinc/81/12/40/554811240.db2.gz	TWBHLCYTYDSBIL-UHFFFAOYSA-N	0	0	536.561	3.395	50	0		KGAARN
O=C(CSc1ccc2nnc(CCNS(=O)(=O)c3ccccc3)n2n1)Nc1ccc(Br)cc1	ZINC000101626946	554811200	/nfs/dbraw/zinc/81/12/00/554811200.db2.gz	LGLCYNZLBMENCL-UHFFFAOYSA-N	0	0	547.460	3.139	50	0		KGAARN
COc1ccc(S(=O)(=O)NCCc2nnc3ccc(SCC(=O)Nc4ccc(C)c(Cl)c4)nn32)cc1	ZINC000101627032	554811185	/nfs/dbraw/zinc/81/11/85/554811185.db2.gz	CZEAKKYRONHQDS-UHFFFAOYSA-N	0	0	547.062	3.347	50	0		KGAARN
COc1ccc(Cl)cc1NC(=O)CSc1ccc2nnc(CCNS(=O)(=O)c3ccc(C)cc3)n2n1	ZINC000101627142	554811279	/nfs/dbraw/zinc/81/12/79/554811279.db2.gz	MUTVNEPODVCZLP-UHFFFAOYSA-N	0	0	547.062	3.347	50	0		KGAARN
COCCCNC(=O)c1nn(-c2ccc(C(F)(F)F)cc2)c(=O)n(Cc2ccc(C(F)(F)F)cc2)c1=O	ZINC000101632058	554811916	/nfs/dbraw/zinc/81/19/16/554811916.db2.gz	OATDRRKSBQEZMZ-UHFFFAOYSA-N	0	0	530.425	3.246	50	0		KGAARN
Cc1ccc(-n2nc(C(=O)NC[C@@H]3CCCO3)c(=O)n(Cc3ccc(C(F)(F)F)cc3)c2=O)cc1Cl	ZINC000101632783	554811994	/nfs/dbraw/zinc/81/19/94/554811994.db2.gz	HYDDMQQHXOXYER-SFHVURJKSA-N	0	0	522.911	3.332	50	0		KGAARN
Cc1ccc(-n2nc(C(=O)NC[C@H]3CCCO3)c(=O)n(Cc3ccc(C(F)(F)F)cc3)c2=O)cc1Cl	ZINC000101632787	554811997	/nfs/dbraw/zinc/81/19/97/554811997.db2.gz	HYDDMQQHXOXYER-GOSISDBHSA-N	0	0	522.911	3.332	50	0		KGAARN
CCC1=C(C(=O)OC)[C@H](c2ccccc2F)N2C(CC(=O)NCCCN3CCCC3=O)=CSC2=N1	ZINC000101633061	554812176	/nfs/dbraw/zinc/81/21/76/554812176.db2.gz	YVRSCCMNEWVFBI-QHCPKHFHSA-N	0	0	500.596	3.483	50	0		KGAARN
CCC1=C(C(=O)OC)[C@@H](c2ccccc2F)N2C(CC(=O)NCCCN3CCCC3=O)=CSC2=N1	ZINC000101633066	554812162	/nfs/dbraw/zinc/81/21/62/554812162.db2.gz	YVRSCCMNEWVFBI-HSZRJFAPSA-N	0	0	500.596	3.483	50	0		KGAARN
CCOC(=O)C1=C(C)N=C2SC=C(CC(=O)NCCCN3CCCC3=O)N2[C@@H]1c1ccccc1F	ZINC000101633743	554812135	/nfs/dbraw/zinc/81/21/35/554812135.db2.gz	SRPQNHUZHJHAII-HSZRJFAPSA-N	0	0	500.596	3.483	50	0		KGAARN
CCOC(=O)C1=C(C)N=C2SC=C(CC(=O)NCCCN3CCCC3=O)N2[C@H]1c1ccccc1F	ZINC000101633747	554812113	/nfs/dbraw/zinc/81/21/13/554812113.db2.gz	SRPQNHUZHJHAII-QHCPKHFHSA-N	0	0	500.596	3.483	50	0		KGAARN
COc1ccc(-c2ccc(N3CCCN(C(=O)CN(CCN4CCOCC4)C(=O)c4ccc(Cl)cc4)CC3)nn2)cc1	ZINC000101641183	554814465	/nfs/dbraw/zinc/81/44/65/554814465.db2.gz	JCLITNFLGCOICH-UHFFFAOYSA-N	0	0	593.128	3.319	50	0		KGAARN
COc1cccc(C(=O)N(CCN2CCOCC2)CC(=O)N2CCCN(c3ccc(-c4ccccc4Cl)nn3)CC2)c1	ZINC000101643030	554814746	/nfs/dbraw/zinc/81/47/46/554814746.db2.gz	MLHIOUVXIUJMDR-UHFFFAOYSA-N	0	0	593.128	3.319	50	0		KGAARN
COc1cccc(-c2ccc(N3CCCN(C(=O)CN(CCN4CCOCC4)C(=O)c4ccccc4Cl)CC3)nn2)c1	ZINC000101643679	554814708	/nfs/dbraw/zinc/81/47/08/554814708.db2.gz	LCZZLPRGJSJCJR-UHFFFAOYSA-N	0	0	593.128	3.319	50	0		KGAARN
O=C(CSc1nc2ccccc2c(=O)n1CCC(=O)N1CCN(c2ccccc2)CC1)NCc1ccco1	ZINC000101644671	554815114	/nfs/dbraw/zinc/81/51/14/554815114.db2.gz	AZZXNMCXPJXLQT-UHFFFAOYSA-N	0	0	531.638	3.137	50	0		KGAARN
COc1ccc(CN2C(=O)c3cccnc3C2=O)cc1S(=O)(=O)NCCOc1cccc(C(F)(F)F)c1	ZINC000101647351	554815838	/nfs/dbraw/zinc/81/58/38/554815838.db2.gz	PURJXMCCFWJPED-UHFFFAOYSA-N	0	0	535.500	3.263	50	0		KGAARN
O=C(c1ccc2c(c1)NC(=O)[C@@H](CS(=O)(=O)Cc1ccc(F)cc1)N2)N1CCN(c2ccc(F)cc2)CC1	ZINC000101647765	554815784	/nfs/dbraw/zinc/81/57/84/554815784.db2.gz	MYJRXWNRUUFMIO-RUZDIDTESA-N	0	0	540.592	3.275	50	0		KGAARN
O=C(c1ccc2c(c1)NC(=O)[C@H](CS(=O)(=O)Cc1ccc(F)cc1)N2)N1CCN(c2ccc(F)cc2)CC1	ZINC000101647768	554815839	/nfs/dbraw/zinc/81/58/39/554815839.db2.gz	MYJRXWNRUUFMIO-VWLOTQADSA-N	0	0	540.592	3.275	50	0		KGAARN
CCOc1ccc(NC(=O)CSc2nc3ccsc3c(=O)n2CCCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1	ZINC000101648590	554815956	/nfs/dbraw/zinc/81/59/56/554815956.db2.gz	PQZPCJLFSUSGNX-UHFFFAOYSA-N	0	0	629.786	3.374	50	0		KGAARN
O=C(Nc1nccnc1C(=O)NC1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)c1ccc(F)c(F)c1	ZINC000101648850	554815964	/nfs/dbraw/zinc/81/59/64/554815964.db2.gz	JVQVZBHUVCXFNG-UHFFFAOYSA-N	0	0	535.960	3.244	50	0		KGAARN
CCOC(=O)c1c2c(sc1NC(=O)CSc1nnc(CNC(=O)c3ccc(OC)cc3)n1C)CCC2	ZINC000101649283	554816253	/nfs/dbraw/zinc/81/62/53/554816253.db2.gz	HFBUZNDKQGSBKA-UHFFFAOYSA-N	0	0	529.644	3.211	50	0		KGAARN
CCOC(=O)c1sc(NC(=O)CSc2nnc(CNC(=O)c3cc(OC)cc(OC)c3)n2C)c(C(=O)OCC)c1C	ZINC000101649675	554816484	/nfs/dbraw/zinc/81/64/84/554816484.db2.gz	SPMNTXBECOFYRY-UHFFFAOYSA-N	0	0	605.695	3.216	50	0		KGAARN
CC(=O)N1CCCc2cc(S(=O)(=O)N3CCC(C(=O)N4CCN(c5ccc(Cl)cc5)CC4)CC3)ccc21	ZINC000101652816	554817136	/nfs/dbraw/zinc/81/71/36/554817136.db2.gz	WQOMKZQDPRAFOC-UHFFFAOYSA-N	0	0	545.105	3.389	50	0		KGAARN
CCOC(=O)c1c2c(sc1NC(=O)CSc1nnc(CNC(=O)COc3ccccc3)n1C)CCCC2	ZINC000101652975	554817376	/nfs/dbraw/zinc/81/73/76/554817376.db2.gz	VUWIYVQZUSULBA-UHFFFAOYSA-N	0	0	543.671	3.358	50	0		KGAARN
CC(=O)N1CCCc2cc(S(=O)(=O)N3CCC(C(=O)N4CCN(c5cccc(C)c5)[C@@H](C)C4)CC3)ccc21	ZINC000101653192	554817302	/nfs/dbraw/zinc/81/73/02/554817302.db2.gz	WHJVIUXNEJZESG-QFIPXVFZSA-N	0	0	538.714	3.432	50	0		KGAARN
CC(=O)N1CCCc2cc(S(=O)(=O)N3CCC(C(=O)N4CCN(c5cccc(C)c5)[C@H](C)C4)CC3)ccc21	ZINC000101653196	554817352	/nfs/dbraw/zinc/81/73/52/554817352.db2.gz	WHJVIUXNEJZESG-JOCHJYFZSA-N	0	0	538.714	3.432	50	0		KGAARN
CCOC(=O)c1sc(NC(=O)CSc2nnc(CNC(=O)c3cccs3)n2C)c(C(=O)OCC)c1C	ZINC000101653220	554817642	/nfs/dbraw/zinc/81/76/42/554817642.db2.gz	BCRKGBSDOILDJO-UHFFFAOYSA-N	0	0	551.672	3.261	50	0		KGAARN
CCOC(=O)c1c2c(sc1NC(=O)CSc1nnc(CNC(=O)c3ccccc3OC)n1C)CCC2	ZINC000101653843	554818128	/nfs/dbraw/zinc/81/81/28/554818128.db2.gz	ZTDKACOVEHMCLQ-UHFFFAOYSA-N	0	0	529.644	3.211	50	0		KGAARN
CCOC(=O)c1sc(NC(=O)CSc2nnc(CNC(=O)c3cccc(F)c3)n2C)c(C(=O)OCC)c1C	ZINC000101653991	554818124	/nfs/dbraw/zinc/81/81/24/554818124.db2.gz	WKCKWEFUGWQZIQ-UHFFFAOYSA-N	0	0	563.633	3.338	50	0		KGAARN
CCOC(=O)c1sc(NC(=O)CSc2nnc(CNC(=O)c3ccccc3F)n2C)c(C(=O)OCC)c1C	ZINC000101654203	554818256	/nfs/dbraw/zinc/81/82/56/554818256.db2.gz	OHGGRPXJSOBBCB-UHFFFAOYSA-N	0	0	563.633	3.338	50	0		KGAARN
CCOC(=O)c1c2c(sc1NC(=O)CSc1nnc(CNC(=O)c3cccc(OC)c3)n1C)CCC2	ZINC000101654964	554819036	/nfs/dbraw/zinc/81/90/36/554819036.db2.gz	HLVKVEOVVAKQHD-UHFFFAOYSA-N	0	0	529.644	3.211	50	0		KGAARN
CCOC(=O)c1sc(NC(=O)CSc2nnc(CNC(=O)c3ccc(OC)c(OC)c3)n2C)c(C(=O)OCC)c1C	ZINC000101655022	554819235	/nfs/dbraw/zinc/81/92/35/554819235.db2.gz	IZNCXDVLQLZGQP-UHFFFAOYSA-N	0	0	605.695	3.216	50	0		KGAARN
CCOC(=O)c1c2c(sc1NC(=O)[C@@H](C)Sc1nnc(CNC(=O)COc3ccccc3)n1C)CCC2	ZINC000101657106	554819677	/nfs/dbraw/zinc/81/96/77/554819677.db2.gz	PREXCJFIYPWWTD-OAHLLOKOSA-N	0	0	543.671	3.357	50	0		KGAARN
CCOC(=O)c1c2c(sc1NC(=O)[C@H](C)Sc1nnc(CNC(=O)COc3ccccc3)n1C)CCC2	ZINC000101657111	554819716	/nfs/dbraw/zinc/81/97/16/554819716.db2.gz	PREXCJFIYPWWTD-HNNXBMFYSA-N	0	0	543.671	3.357	50	0		KGAARN
COc1cc(/C=C2\NC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)cc(I)c1OC	ZINC000101658884	554820571	/nfs/dbraw/zinc/82/05/71/554820571.db2.gz	ZBHBZUCXOKTPCL-SXGWCWSVSA-N	0	0	521.311	3.148	50	0		KGAARN
O=C(Nc1cccc(C(F)(F)F)c1)[C@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1	ZINC000101660272	554821498	/nfs/dbraw/zinc/82/14/98/554821498.db2.gz	IYYMQRBTGDKCMV-JOCHJYFZSA-N	0	0	553.584	3.408	50	0		KGAARN
CCOC(=O)COc1c(Br)cc(/C=C2\NC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)cc1OC	ZINC000101665347	554822373	/nfs/dbraw/zinc/82/23/73/554822373.db2.gz	DNHKAJSGLFRGNJ-ZDLGFXPLSA-N	0	0	546.374	3.239	50	0		KGAARN
CCOc1cc(/C=C2\NC(=O)N(c3ccccc3)C2=O)cc(I)c1OCC(=O)OC	ZINC000101665610	554822380	/nfs/dbraw/zinc/82/23/80/554822380.db2.gz	BYKMYCIFHVYSSM-YBEGLDIGSA-N	0	0	522.295	3.339	50	0		KGAARN
COc1ccccc1/C=C(\NC(=O)c1cncc(Br)c1)C(=O)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2	ZINC000101665999	554822377	/nfs/dbraw/zinc/82/23/77/554822377.db2.gz	TXCDQYBGYHYDRP-RNPLTCCFSA-N	0	0	549.425	3.431	50	0	biogenic	KGAARN
COc1ccc(C(=O)N/C(=C\c2cc(OC)c(OC)c(OC)c2)C(=O)N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc1	ZINC000101666342	554822622	/nfs/dbraw/zinc/82/26/22/554822622.db2.gz	GSGMGHQAIPFSJI-AODXJHJZSA-N	0	0	559.619	3.300	50	0	biogenic	KGAARN
COc1ccc(C(=O)N/C(=C\c2cc(OC)c(OC)c(OC)c2)C(=O)N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc1OC	ZINC000101666418	554822550	/nfs/dbraw/zinc/82/25/50/554822550.db2.gz	MCBATGBGELZUBL-MSQYREGSSA-N	0	0	589.645	3.308	50	0	biogenic	KGAARN
Cc1nn(CC(=O)N2CCc3ccccc32)c(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)Nc2cccc(C)c2)C1	ZINC000101670068	554823602	/nfs/dbraw/zinc/82/36/02/554823602.db2.gz	XKQNCNDHMZNAAT-HSZRJFAPSA-N	0	0	535.670	3.437	50	0		KGAARN
Cc1nn(CC(=O)N2CCc3ccccc32)c(C)c1S(=O)(=O)N1CCC[C@H](C(=O)Nc2cccc(C)c2)C1	ZINC000101670070	554823554	/nfs/dbraw/zinc/82/35/54/554823554.db2.gz	XKQNCNDHMZNAAT-QHCPKHFHSA-N	0	0	535.670	3.437	50	0		KGAARN
COc1ccc(CNC(=O)[C@H](Cc2ccccc2)NC(=O)C2CCN(C(=O)[C@H](C)NC(=O)OC(C)(C)C)CC2)cc1	ZINC000101670237	554823600	/nfs/dbraw/zinc/82/36/00/554823600.db2.gz	PZJQJZDYVICTQP-LVXARBLLSA-N	0	0	566.699	3.191	50	0		KGAARN
COc1cc2c(cc1OC)CN(Cc1cc(=O)c(OCC(=O)N3CCN(c4ccc(F)cc4)CC3)co1)CC2	ZINC000101679783	554828214	/nfs/dbraw/zinc/82/82/14/554828214.db2.gz	NQUVTIPYRDPBEF-UHFFFAOYSA-N	0	0	537.588	3.082	50	0		KGAARN
C[C@@H]1CN(CCS(=O)(=O)c2ccc(Oc3ccc(S(=O)(=O)CCN4C[C@H](C)O[C@@H](C)C4)cc3)cc2)C[C@@H](C)O1	ZINC000101680323	554828501	/nfs/dbraw/zinc/82/85/01/554828501.db2.gz	ZGEYPEATOQVAIM-SWIJEOLNSA-N	0	0	580.769	3.245	50	0		KGAARN
CC(=O)c1cccc(Cn2nnc3c2nc(C2CCN(S(=O)(=O)c4ccc(Cl)cc4)CC2)[nH]c3=O)c1	ZINC000101681846	554828454	/nfs/dbraw/zinc/82/84/54/554828454.db2.gz	XXGSPEFLIRLEDO-UHFFFAOYSA-N	0	0	527.006	3.400	50	0		KGAARN
O=C(c1cc(-c2ccccn2)nc2ccc(S(=O)(=O)N3CCOCC3)cc21)N1CCN(Cc2ccccc2)CC1	ZINC000101682842	554828655	/nfs/dbraw/zinc/82/86/55/554828655.db2.gz	UKVBSKPEHLKMCQ-UHFFFAOYSA-N	0	0	557.676	3.276	50	0		KGAARN
CCOc1ccc(CNC(=O)CN2C(=O)CSc3ccc(S(=O)(=O)N4CCC(C)CC4)cc32)cc1OC	ZINC000101683426	554828761	/nfs/dbraw/zinc/82/87/61/554828761.db2.gz	BSFHYPBWXWNLAD-UHFFFAOYSA-N	0	0	547.699	3.270	50	0		KGAARN
O=C(NCCCN1CCN(c2ccccc2F)CC1)c1cc(=O)[nH]c2ccc(S(=O)(=O)N3CCCCCC3)cc21	ZINC000101683565	554828724	/nfs/dbraw/zinc/82/87/24/554828724.db2.gz	MHLUHSBVNBZHSQ-UHFFFAOYSA-N	0	0	569.703	3.174	50	0		KGAARN
CC(C)C(=O)O[C@H]1[C@H](OC(=O)C(C)C)[C@@H](OC(=O)C(C)C)[C@H](OC(=O)C(C)C)[C@@H](OC(=O)C(C)C)[C@H]1OC(=O)C(C)C	ZINC000101683784	554828947	/nfs/dbraw/zinc/82/89/47/554828947.db2.gz	OYJSFYMHRSFWJW-HPEVMFQJSA-N	0	0	600.702	3.407	50	0		KGAARN
COc1ccc(C(=O)N2CCN(c3ccc(NC(=O)c4cccs4)cc3C(=O)N3CCOCC3)CC2)cc1	ZINC000101687854	554829965	/nfs/dbraw/zinc/82/99/65/554829965.db2.gz	QZSFSYSBAHWSAZ-UHFFFAOYSA-N	0	0	534.638	3.444	50	0		KGAARN
COCCN(CC(=O)Nc1ccc(N2CCN(C(=O)c3ccc(OC)cc3)CC2)cc1)C(=O)c1cccs1	ZINC000101688630	554830259	/nfs/dbraw/zinc/83/02/59/554830259.db2.gz	FLCKBFFGWPYZGW-UHFFFAOYSA-N	0	0	536.654	3.446	50	0		KGAARN
COCC(=O)N(CC(=O)Nc1ccc(N2CCN(C(=O)c3ccc(OC)cc3)CC2)cc1)Cc1ccc(F)cc1	ZINC000101688676	554830229	/nfs/dbraw/zinc/83/02/29/554830229.db2.gz	UAECOJFPLGVKNM-UHFFFAOYSA-N	0	0	548.615	3.410	50	0		KGAARN
COc1ccc(S(=O)(=O)N(CCN2CCOCC2)Cc2cc(Cl)ccc2OCc2nc(CO)cs2)cc1	ZINC000101693201	554831097	/nfs/dbraw/zinc/83/10/97/554831097.db2.gz	DQRCIOJLHIHPIV-UHFFFAOYSA-N	0	0	568.117	3.400	50	0		KGAARN
O=C(c1ccc(C(F)(F)F)cc1)N1CCN(c2nc(CN3CCN(c4ccccc4F)CC3)cc(=O)[nH]2)CC1	ZINC000101744565	554834207	/nfs/dbraw/zinc/83/42/07/554834207.db2.gz	MTCQKKOQIXDRTH-UHFFFAOYSA-N	0	0	544.553	3.212	50	0		KGAARN
Cc1ccccc1N1CCN(Cc2cc(=O)[nH]c(N3CCN(C(=O)c4ccccc4Br)CC3)n2)CC1	ZINC000101747546	554834561	/nfs/dbraw/zinc/83/45/61/554834561.db2.gz	JTBNCFMNIVMEKB-UHFFFAOYSA-N	0	0	551.489	3.125	50	0		KGAARN
Cc1ccc(N2CCN(Cc3cc(=O)[nH]c(N4CCN(C(=O)c5ccccc5Br)CC4)n3)CC2)cc1C	ZINC000101747894	554834489	/nfs/dbraw/zinc/83/44/89/554834489.db2.gz	JERBFXKPGYTNKX-UHFFFAOYSA-N	0	0	565.516	3.434	50	0		KGAARN
COc1cccc(OC[C@H](O)CNC(=O)[C@@H]2CCCN(c3cccc4c3C(=O)N(Cc3cccc(F)c3)C4=O)C2)c1	ZINC000101795200	554839316	/nfs/dbraw/zinc/83/93/16/554839316.db2.gz	BWPRMVOXDAPRFV-FYYLOGMGSA-N	0	0	561.610	3.403	50	0		KGAARN
COc1cccc(OC[C@@H](O)CNC(=O)[C@@H]2CCCN(c3cccc4c3C(=O)N(Cc3cccc(F)c3)C4=O)C2)c1	ZINC000101795204	554839225	/nfs/dbraw/zinc/83/92/25/554839225.db2.gz	BWPRMVOXDAPRFV-GGAORHGYSA-N	0	0	561.610	3.403	50	0		KGAARN
COc1cccc(OC[C@H](O)CNC(=O)[C@H]2CCCN(c3cccc4c3C(=O)N(Cc3cccc(F)c3)C4=O)C2)c1	ZINC000101795207	554839290	/nfs/dbraw/zinc/83/92/90/554839290.db2.gz	BWPRMVOXDAPRFV-JTHBVZDNSA-N	0	0	561.610	3.403	50	0		KGAARN
COc1cccc(OC[C@@H](O)CNC(=O)[C@H]2CCCN(c3cccc4c3C(=O)N(Cc3cccc(F)c3)C4=O)C2)c1	ZINC000101795210	554839264	/nfs/dbraw/zinc/83/92/64/554839264.db2.gz	BWPRMVOXDAPRFV-GMAHTHKFSA-N	0	0	561.610	3.403	50	0		KGAARN
COC(=O)c1cn([C@H]2C[C@@H](C(=O)NCCc3c[nH]c4ccccc34)N(C/C=C/c3ccccc3OC)C2)nn1	ZINC000101817092	554840204	/nfs/dbraw/zinc/84/02/04/554840204.db2.gz	OXKCYVPOQCMTHB-MEQDFTDESA-N	0	0	528.613	3.242	50	0		KGAARN
CC[C@@H](C)NS(=O)(=O)c1cc(NC(=O)c2cccc(Br)c2)ccc1N1CCC(C(N)=O)CC1	ZINC000101824588	554841219	/nfs/dbraw/zinc/84/12/19/554841219.db2.gz	YNNMKAWWXWLWSX-OAHLLOKOSA-N	0	0	537.480	3.480	50	0		KGAARN
CC[C@H](C)NS(=O)(=O)c1cc(NC(=O)c2cccc(Br)c2)ccc1N1CCC(C(N)=O)CC1	ZINC000101824591	554841258	/nfs/dbraw/zinc/84/12/58/554841258.db2.gz	YNNMKAWWXWLWSX-HNNXBMFYSA-N	0	0	537.480	3.480	50	0		KGAARN
O=C(Nc1ccccc1Br)[C@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1	ZINC000101861564	554844449	/nfs/dbraw/zinc/84/44/49/554844449.db2.gz	COIIJQVBABILJT-JOCHJYFZSA-N	0	0	564.483	3.152	50	0		KGAARN
Cc1ccc2c(c1)NC(=O)c1cc(S(=O)(=O)N3CCOCC3)c(N3CCN(c4ccccn4)CC3)cc1O2	ZINC000101901376	554847415	/nfs/dbraw/zinc/84/74/15/554847415.db2.gz	MLWYHXIYFABGKL-UHFFFAOYSA-N	0	0	535.626	3.096	50	0		KGAARN
COc1ccccc1[C@H]1C(C(=O)OC(C)C)=C(C)N=C2SC=C(CC(=O)N3CCN(C(C)=O)CC3)N21	ZINC000101903104	554847798	/nfs/dbraw/zinc/84/77/98/554847798.db2.gz	YFASNZYBLNTIHZ-DEOSSOPVSA-N	0	0	512.632	3.303	50	0		KGAARN
COc1ccccc1[C@@H]1C(C(=O)OC(C)C)=C(C)N=C2SC=C(CC(=O)N3CCN(C(C)=O)CC3)N21	ZINC000101903109	554847812	/nfs/dbraw/zinc/84/78/12/554847812.db2.gz	YFASNZYBLNTIHZ-XMMPIXPASA-N	0	0	512.632	3.303	50	0		KGAARN
COc1cccc(CO[C@@H]2CN(CCc3ccccc3)C(=O)CN(C(=O)Cn3nc(C)c4ccccc4c3=O)C2)c1	ZINC000101906229	554848816	/nfs/dbraw/zinc/84/88/16/554848816.db2.gz	YVCAEYDVFZCOMY-HHHXNRCGSA-N	0	0	554.647	3.212	50	0		KGAARN
COc1cccc(CO[C@H]2CN(CCc3ccccc3)C(=O)CN(C(=O)Cn3nc(C)c4ccccc4c3=O)C2)c1	ZINC000101906232	554848751	/nfs/dbraw/zinc/84/87/51/554848751.db2.gz	YVCAEYDVFZCOMY-MHZLTWQESA-N	0	0	554.647	3.212	50	0		KGAARN
COCCOC(=O)C1=C(C)N=C2SC=C(CC(=O)N3CCN(C(C)=O)CC3)N2[C@H]1c1ccc(Cl)cc1	ZINC000101907535	554849067	/nfs/dbraw/zinc/84/90/67/554849067.db2.gz	CTLNVVVUQGLWCK-QHCPKHFHSA-N	0	0	533.050	3.185	50	0		KGAARN
COCCOC(=O)C1=C(C)N=C2SC=C(CC(=O)N3CCN(C(C)=O)CC3)N2[C@@H]1c1ccc(Cl)cc1	ZINC000101907537	554849052	/nfs/dbraw/zinc/84/90/52/554849052.db2.gz	CTLNVVVUQGLWCK-HSZRJFAPSA-N	0	0	533.050	3.185	50	0		KGAARN
COCCOC(=O)C1=C(C)N=C2SC=C(CC(=O)N3CCN(C(C)=O)CC3)N2[C@@H]1c1cc(C)ccc1C	ZINC000101908089	554849057	/nfs/dbraw/zinc/84/90/57/554849057.db2.gz	KQNVPLNVKCDAFW-RUZDIDTESA-N	0	0	526.659	3.149	50	0		KGAARN
COCCOC(=O)C1=C(C)N=C2SC=C(CC(=O)N3CCN(C(C)=O)CC3)N2[C@H]1c1cc(C)ccc1C	ZINC000101908095	554849020	/nfs/dbraw/zinc/84/90/20/554849020.db2.gz	KQNVPLNVKCDAFW-VWLOTQADSA-N	0	0	526.659	3.149	50	0		KGAARN
COc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=C3SC=C(CC(=O)N4CCN(C(C)=O)CC4)N32)cc1	ZINC000101908786	554849232	/nfs/dbraw/zinc/84/92/32/554849232.db2.gz	BUUMJVZAKRZADW-DEOSSOPVSA-N	0	0	512.632	3.303	50	0		KGAARN
COc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=C3SC=C(CC(=O)N4CCN(C(C)=O)CC4)N32)cc1	ZINC000101908789	554849176	/nfs/dbraw/zinc/84/91/76/554849176.db2.gz	BUUMJVZAKRZADW-XMMPIXPASA-N	0	0	512.632	3.303	50	0		KGAARN
COc1cc2c(cc1OC)n(CC(=O)NC(C)C)c(=O)n(Cc1ccc(C(=O)Nc3ccccc3)cc1)c2=O	ZINC000101910497	554849713	/nfs/dbraw/zinc/84/97/13/554849713.db2.gz	BTFAWFNYARGKKM-UHFFFAOYSA-N	0	0	530.581	3.006	50	0		KGAARN
COc1ccc(S(=O)(=O)N2CCc3cc(OC)c(OC)cc3C2)cc1N1CCN(C(=O)c2ccco2)CC1	ZINC000101912180	554849827	/nfs/dbraw/zinc/84/98/27/554849827.db2.gz	NJYVJFQAZXUTPK-UHFFFAOYSA-N	0	0	541.626	3.015	50	0		KGAARN
COc1ccc(CCN(Cc2ccc(C)o2)C(=O)CN(CCN2CCOCC2)S(=O)(=O)c2ccccc2)cc1OC	ZINC000101912313	554849920	/nfs/dbraw/zinc/84/99/20/554849920.db2.gz	CNKGDEANTDZWLB-UHFFFAOYSA-N	0	0	585.723	3.200	50	0		KGAARN
COc1cc2c(cc1OC)n(CC(=O)Nc1ccc(F)cc1)c(=O)n(Cc1ccc(C(=O)NC(C)C)cc1)c2=O	ZINC000101916262	554850343	/nfs/dbraw/zinc/85/03/43/554850343.db2.gz	IRYZNXNUZNBFOA-UHFFFAOYSA-N	0	0	548.571	3.145	50	0		KGAARN
COc1cc2c(cc1OC)n(CC(=O)Nc1ccccc1)c(=O)n(Cc1ccc(C(=O)NC(C)C)cc1)c2=O	ZINC000101916265	554850422	/nfs/dbraw/zinc/85/04/22/554850422.db2.gz	VBGVCAARYDNAKE-UHFFFAOYSA-N	0	0	530.581	3.006	50	0		KGAARN
COc1cc2c(cc1OC)n(CC(=O)Nc1ccccc1F)c(=O)n(Cc1ccc(C(=O)NC(C)C)cc1)c2=O	ZINC000101916272	554850435	/nfs/dbraw/zinc/85/04/35/554850435.db2.gz	SLSHZXBHJYBEIM-UHFFFAOYSA-N	0	0	548.571	3.145	50	0		KGAARN
COc1ccc(C=O)cc1Cn1c2cc(OC)c(OC)cc2c(=O)n(Cc2ccc(C(=O)NC(C)C)cc2)c1=O	ZINC000101916289	554850432	/nfs/dbraw/zinc/85/04/32/554850432.db2.gz	MBLRAJVXVCNJBN-UHFFFAOYSA-N	0	0	545.592	3.236	50	0		KGAARN
CC(=O)N1CCN(C(=O)CC2=CSC3=NC(C)=C(C(=O)OC(C)C)[C@H](c4cccc(F)c4)N23)CC1	ZINC000101920398	554851637	/nfs/dbraw/zinc/85/16/37/554851637.db2.gz	DWYSAUZZBWJJDS-QHCPKHFHSA-N	0	0	500.596	3.433	50	0		KGAARN
CC(=O)N1CCN(C(=O)CC2=CSC3=NC(C)=C(C(=O)OC(C)C)[C@@H](c4cccc(F)c4)N23)CC1	ZINC000101920402	554851638	/nfs/dbraw/zinc/85/16/38/554851638.db2.gz	DWYSAUZZBWJJDS-HSZRJFAPSA-N	0	0	500.596	3.433	50	0		KGAARN
CC(=O)N1CCN(C(=O)CC2=CSC3=NC(C)=C(C(=O)OC(C)C)[C@H](c4ccccc4F)N23)CC1	ZINC000101920561	554851580	/nfs/dbraw/zinc/85/15/80/554851580.db2.gz	YNAGTJQRMHPMFN-QHCPKHFHSA-N	0	0	500.596	3.433	50	0		KGAARN
CC(=O)N1CCN(C(=O)CC2=CSC3=NC(C)=C(C(=O)OC(C)C)[C@@H](c4ccccc4F)N23)CC1	ZINC000101920565	554851575	/nfs/dbraw/zinc/85/15/75/554851575.db2.gz	YNAGTJQRMHPMFN-HSZRJFAPSA-N	0	0	500.596	3.433	50	0		KGAARN
COC(=O)c1cn([C@H]2C[C@@H](C(=O)N3CCN(c4ccc(F)cc4)CC3)N(Cc3ccccc3Cl)C2)nn1	ZINC000101934266	554852074	/nfs/dbraw/zinc/85/20/74/554852074.db2.gz	CKUFFTGUZOPQJI-URXFXBBRSA-N	0	0	527.000	3.022	50	0		KGAARN
C[C@H](O)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)OCC(=O)Nc1cc(C(F)(F)F)ccc1Cl	ZINC000101947366	554852571	/nfs/dbraw/zinc/85/25/71/554852571.db2.gz	ORYWISBHQGWJKP-BTDLBPIBSA-N	0	0	529.320	3.222	50	0		KGAARN
C[C@@H](O)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)OCC(=O)Nc1cc(C(F)(F)F)ccc1Cl	ZINC000101947371	554852665	/nfs/dbraw/zinc/85/26/65/554852665.db2.gz	ORYWISBHQGWJKP-QGHHPUGFSA-N	0	0	529.320	3.222	50	0		KGAARN
C[C@H](O)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)OCC(=O)Nc1cc(C(F)(F)F)ccc1Cl	ZINC000101947375	554852576	/nfs/dbraw/zinc/85/25/76/554852576.db2.gz	ORYWISBHQGWJKP-DYZYQPBXSA-N	0	0	529.320	3.222	50	0		KGAARN
C[C@@H](O)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)OCC(=O)Nc1cc(C(F)(F)F)ccc1Cl	ZINC000101947380	554852558	/nfs/dbraw/zinc/85/25/58/554852558.db2.gz	ORYWISBHQGWJKP-BMLIUANNSA-N	0	0	529.320	3.222	50	0		KGAARN
O=S(=O)(Cc1ccccc1)c1ncc(CN(CCN2CCOCC2)S(=O)(=O)c2ccccc2)n1Cc1ccccc1	ZINC000101956023	554853337	/nfs/dbraw/zinc/85/33/37/554853337.db2.gz	SOKYMJDLRXVIKW-UHFFFAOYSA-N	0	0	594.759	3.428	50	0		KGAARN
CC(C)Cn1c(CN(CCN2CCOCC2)S(=O)(=O)c2ccccc2)cnc1S(=O)(=O)Cc1ccccc1	ZINC000101956997	554853351	/nfs/dbraw/zinc/85/33/51/554853351.db2.gz	HJZQTNQMFQBWBR-UHFFFAOYSA-N	0	0	560.742	3.036	50	0		KGAARN
Cc1ccccc1CS(=O)(=O)c1ncc(CN(CCN2CCOCC2)S(=O)(=O)c2ccccc2)n1CC(C)C	ZINC000101957177	554853348	/nfs/dbraw/zinc/85/33/48/554853348.db2.gz	WIGMAFDWAPMQAG-UHFFFAOYSA-N	0	0	574.769	3.345	50	0		KGAARN
C[C@H](OC(=O)c1ccc2c(c1)C(=O)N(CCc1ccccc1)C2=O)C(=O)NCC(=O)Nc1ccc(F)c(F)c1F	ZINC000101981088	554863710	/nfs/dbraw/zinc/86/37/10/554863710.db2.gz	AVPVICYDNLYTOE-HNNXBMFYSA-N	0	0	553.493	3.243	50	0		KGAARN
C[C@@H](OC(=O)c1ccc2c(c1)C(=O)N(CCc1ccccc1)C2=O)C(=O)NCC(=O)Nc1ccc(F)c(F)c1F	ZINC000101981093	554863887	/nfs/dbraw/zinc/86/38/87/554863887.db2.gz	AVPVICYDNLYTOE-OAHLLOKOSA-N	0	0	553.493	3.243	50	0		KGAARN
CCOC(=O)c1ccc(N2C(=O)c3ccccc3C(=CNc3ccc(S(=O)(=O)NC)cc3)C2=O)cc1	ZINC000101995564	554865103	/nfs/dbraw/zinc/86/51/03/554865103.db2.gz	HYSPIFKQVHLVTL-KQWNVCNZSA-N	0	0	505.552	3.411	50	0		KGAARN
CCOC(=O)C1CCN(c2ccc(NS(C)(=O)=O)cc2S(=O)(=O)N[C@@H]2CCCc3ccccc32)CC1	ZINC000101996231	554865367	/nfs/dbraw/zinc/86/53/67/554865367.db2.gz	DKTHGTLTLSFGPD-JOCHJYFZSA-N	0	0	535.688	3.194	50	0		KGAARN
CCOC(=O)C1CCN(c2ccc(NS(C)(=O)=O)cc2S(=O)(=O)N[C@H]2CCCc3ccccc32)CC1	ZINC000101996235	554865332	/nfs/dbraw/zinc/86/53/32/554865332.db2.gz	DKTHGTLTLSFGPD-QFIPXVFZSA-N	0	0	535.688	3.194	50	0		KGAARN
COC(=O)c1ccccc1NC(=O)Cn1c2c3ccccc3oc2c(=O)n(Cc2ccc3c(c2)OCO3)c1=O	ZINC000102002036	554866169	/nfs/dbraw/zinc/86/61/69/554866169.db2.gz	XSXCVFUOOLMELK-UHFFFAOYSA-N	0	0	527.489	3.112	50	0		KGAARN
COc1ccc(NC(=O)Cn2c3c4ccccc4oc3c(=O)n(Cc3ccc4c(c3)OCO4)c2=O)c(OC)c1	ZINC000102002080	554866245	/nfs/dbraw/zinc/86/62/45/554866245.db2.gz	NJEFRDOYIHIIFE-UHFFFAOYSA-N	0	0	529.505	3.342	50	0		KGAARN
COc1ccc(CCNC(=O)Cn2c3c4ccccc4oc3c(=O)n(Cc3ccc4c(c3)OCO4)c2=O)cc1OC	ZINC000102002087	554866180	/nfs/dbraw/zinc/86/61/80/554866180.db2.gz	MFQMFXLKJTVRCJ-UHFFFAOYSA-N	0	0	557.559	3.063	50	0		KGAARN
COc1ccc(Cn2c(=O)c3oc4ccccc4c3n(CC(=O)NCCc3ccc(OC)c(OC)c3)c2=O)cc1	ZINC000102002189	554866376	/nfs/dbraw/zinc/86/63/76/554866376.db2.gz	VBKUWMHWNXOJOF-UHFFFAOYSA-N	0	0	543.576	3.342	50	0		KGAARN
CCOc1ccccc1NC(=O)CSc1ccc2nnc(CCNS(=O)(=O)c3ccc(C)cc3)n2n1	ZINC000102002790	554866414	/nfs/dbraw/zinc/86/64/14/554866414.db2.gz	VRAYGEVZTVXGBU-UHFFFAOYSA-N	0	0	526.644	3.083	50	0		KGAARN
COc1ccc(S(=O)(=O)NCCc2nnc3ccc(SCC(=O)Nc4cc(C)ccc4C)nn32)cc1	ZINC000102002917	554866360	/nfs/dbraw/zinc/86/63/60/554866360.db2.gz	MZGPJQIOBOPKOS-UHFFFAOYSA-N	0	0	526.644	3.002	50	0		KGAARN
COC(=O)c1cn([C@H]2C[C@@H](C(=O)NCCc3c[nH]c4ccccc34)N(C/C=C/c3ccc(OC)cc3)C2)nn1	ZINC000102007616	554866876	/nfs/dbraw/zinc/86/68/76/554866876.db2.gz	HKMUDPDPXPJGGZ-NGRFSWAFSA-N	0	0	528.613	3.242	50	0		KGAARN
CCOC(=O)C1=C(CSC2=NC(=Cc3ccc(OC)cc3)C(=O)N2C2CC2)NC(=O)N[C@@H]1c1cnn(CC)c1	ZINC000102020367	554867182	/nfs/dbraw/zinc/86/71/82/554867182.db2.gz	JUZWRUUEJKYATI-GAISBVLPSA-N	0	0	550.641	3.218	50	0		KGAARN
CCOC(=O)C1=C(CSC2=NC(=Cc3ccc(OC)cc3)C(=O)N2C2CC2)NC(=O)N[C@H]1c1cnn(CC)c1	ZINC000102020379	554867148	/nfs/dbraw/zinc/86/71/48/554867148.db2.gz	JUZWRUUEJKYATI-AGIMELGASA-N	0	0	550.641	3.218	50	0		KGAARN
CCN(CC)C(=O)CO[C@@H]1CN(C(=O)CCc2nc3ccccc3s2)CC(=O)N(CCc2ccccc2)C1	ZINC000102023538	554867484	/nfs/dbraw/zinc/86/74/84/554867484.db2.gz	VHZVDCGGANRSGB-QHCPKHFHSA-N	0	0	536.698	3.396	50	0		KGAARN
CCN(CC)C(=O)CO[C@H]1CN(C(=O)CCc2nc3ccccc3s2)CC(=O)N(CCc2ccccc2)C1	ZINC000102023541	554867470	/nfs/dbraw/zinc/86/74/70/554867470.db2.gz	VHZVDCGGANRSGB-HSZRJFAPSA-N	0	0	536.698	3.396	50	0		KGAARN
COc1cc(OC)cc([C@H]2C(C(=O)OC(C)C)=C(C)N=C3SC=C(CC(=O)NCCN4CCOCC4)N32)c1	ZINC000102039917	554869585	/nfs/dbraw/zinc/86/95/85/554869585.db2.gz	LDCYERYWKBLWJW-VWLOTQADSA-N	0	0	544.674	3.069	50	0		KGAARN
COc1cc(OC)cc([C@@H]2C(C(=O)OC(C)C)=C(C)N=C3SC=C(CC(=O)NCCN4CCOCC4)N32)c1	ZINC000102039920	554869569	/nfs/dbraw/zinc/86/95/69/554869569.db2.gz	LDCYERYWKBLWJW-RUZDIDTESA-N	0	0	544.674	3.069	50	0		KGAARN
COc1cccc([C@H]2C(C(=O)OC(C)(C)C)=C(C)N=C3SC=C(CC(=O)NCCN4CCOCC4)N32)c1OC	ZINC000102040201	554869632	/nfs/dbraw/zinc/86/96/32/554869632.db2.gz	CGNJHOITTUPUQF-DEOSSOPVSA-N	0	0	558.701	3.459	50	0		KGAARN
COc1cccc([C@@H]2C(C(=O)OC(C)(C)C)=C(C)N=C3SC=C(CC(=O)NCCN4CCOCC4)N32)c1OC	ZINC000102040206	554869638	/nfs/dbraw/zinc/86/96/38/554869638.db2.gz	CGNJHOITTUPUQF-XMMPIXPASA-N	0	0	558.701	3.459	50	0		KGAARN
COc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=C3SC=C(CC(=O)NCCN4CCOCC4)N32)c(OC)c1	ZINC000102041173	554869642	/nfs/dbraw/zinc/86/96/42/554869642.db2.gz	ANDNYMOFSGKMFH-VWLOTQADSA-N	0	0	544.674	3.069	50	0		KGAARN
COc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=C3SC=C(CC(=O)NCCN4CCOCC4)N32)c(OC)c1	ZINC000102041177	554869565	/nfs/dbraw/zinc/86/95/65/554869565.db2.gz	ANDNYMOFSGKMFH-RUZDIDTESA-N	0	0	544.674	3.069	50	0		KGAARN
COc1cccc([C@H]2C(C(=O)OC(C)C)=C(C)N=C3SC=C(CC(=O)NCCN4CCOCC4)N32)c1OC	ZINC000102041185	554869634	/nfs/dbraw/zinc/86/96/34/554869634.db2.gz	NMOFLTMMFIVUSQ-DEOSSOPVSA-N	0	0	544.674	3.069	50	0		KGAARN
COc1cccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=C3SC=C(CC(=O)NCCN4CCOCC4)N32)c1OC	ZINC000102041190	554869630	/nfs/dbraw/zinc/86/96/30/554869630.db2.gz	NMOFLTMMFIVUSQ-XMMPIXPASA-N	0	0	544.674	3.069	50	0		KGAARN
COc1ccc(OC)c([C@H]2C(C(=O)OC(C)C)=C(C)N=C3SC=C(CC(=O)NCCN4CCOCC4)N32)c1	ZINC000102041197	554869612	/nfs/dbraw/zinc/86/96/12/554869612.db2.gz	QQMNUHPPPGKZPK-VWLOTQADSA-N	0	0	544.674	3.069	50	0		KGAARN
COc1ccc(OC)c([C@@H]2C(C(=O)OC(C)C)=C(C)N=C3SC=C(CC(=O)NCCN4CCOCC4)N32)c1	ZINC000102041201	554869636	/nfs/dbraw/zinc/86/96/36/554869636.db2.gz	QQMNUHPPPGKZPK-RUZDIDTESA-N	0	0	544.674	3.069	50	0		KGAARN
COc1ccc([C@H]2C(C(=O)OC(C)(C)C)=C(C)N=C3SC=C(CC(=O)NCCN4CCOCC4)N32)cc1OC	ZINC000102041416	554869646	/nfs/dbraw/zinc/86/96/46/554869646.db2.gz	CIGAIHOIWQBFAS-VWLOTQADSA-N	0	0	558.701	3.459	50	0		KGAARN
COc1ccc([C@@H]2C(C(=O)OC(C)(C)C)=C(C)N=C3SC=C(CC(=O)NCCN4CCOCC4)N32)cc1OC	ZINC000102041420	554869640	/nfs/dbraw/zinc/86/96/40/554869640.db2.gz	CIGAIHOIWQBFAS-RUZDIDTESA-N	0	0	558.701	3.459	50	0		KGAARN
COc1cccc(N2CCN(C(=O)C3CCN(S(=O)(=O)c4ccc5c(c4)C[C@@H](C)N5C(=O)C4CC4)CC3)CC2)c1	ZINC000102050557	554870732	/nfs/dbraw/zinc/87/07/32/554870732.db2.gz	LBAOPWDCSYMXME-OAQYLSRUSA-N	0	0	566.724	3.132	50	0		KGAARN
COc1cccc(N2CCN(C(=O)C3CCN(S(=O)(=O)c4ccc5c(c4)C[C@H](C)N5C(=O)C4CC4)CC3)CC2)c1	ZINC000102050562	554870785	/nfs/dbraw/zinc/87/07/85/554870785.db2.gz	LBAOPWDCSYMXME-NRFANRHFSA-N	0	0	566.724	3.132	50	0		KGAARN
C[C@@H]1Cc2cc(S(=O)(=O)N3CCC(C(=O)N4CCN(c5ccccc5)CC4)CC3)ccc2N1C(=O)C1CC1	ZINC000102050758	554871060	/nfs/dbraw/zinc/87/10/60/554871060.db2.gz	HJZWANUNFMHEGX-OAQYLSRUSA-N	0	0	536.698	3.124	50	0		KGAARN
C[C@H]1Cc2cc(S(=O)(=O)N3CCC(C(=O)N4CCN(c5ccccc5)CC4)CC3)ccc2N1C(=O)C1CC1	ZINC000102050762	554871048	/nfs/dbraw/zinc/87/10/48/554871048.db2.gz	HJZWANUNFMHEGX-NRFANRHFSA-N	0	0	536.698	3.124	50	0		KGAARN
COc1cc(NC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)C[C@@H](C)N4C(=O)C3CC3)CC2)cc(OC)c1OC	ZINC000102050835	554871253	/nfs/dbraw/zinc/87/12/53/554871253.db2.gz	BQGFCDKNERNPDB-QGZVFWFLSA-N	0	0	557.669	3.439	50	0		KGAARN
COc1cc(NC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)C[C@H](C)N4C(=O)C3CC3)CC2)cc(OC)c1OC	ZINC000102050836	554871252	/nfs/dbraw/zinc/87/12/52/554871252.db2.gz	BQGFCDKNERNPDB-KRWDZBQOSA-N	0	0	557.669	3.439	50	0		KGAARN
COC(=O)[C@H](NC(=O)[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)[C@H](C)O	ZINC000102056626	554872917	/nfs/dbraw/zinc/87/29/17/554872917.db2.gz	CVTZNDMJTWRTRV-WBWZXODPSA-N	0	0	633.742	3.468	50	0		KGAARN
COC(=O)[C@H](NC(=O)[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)[C@@H](C)O	ZINC000102056635	554872858	/nfs/dbraw/zinc/87/28/58/554872858.db2.gz	CVTZNDMJTWRTRV-UJLGHMMASA-N	0	0	633.742	3.468	50	0		KGAARN
Cc1nc(C(F)(F)F)ccc1C(=O)N1CCN(c2nc3nccc(-c4ccc(N5CCOCC5)cc4)n3n2)CC1	ZINC000102069473	554873543	/nfs/dbraw/zinc/87/35/43/554873543.db2.gz	PGPMJFNXYMIBSV-UHFFFAOYSA-N	0	0	552.561	3.313	50	0		KGAARN
CCOC(=O)N1CCc2c(sc3c2C(=O)N[C@H](c2cc(I)c(O)c(OC)c2)N3)C1	ZINC000102079861	554875796	/nfs/dbraw/zinc/87/57/96/554875796.db2.gz	OODDTBIAASCDEV-INIZCTEOSA-N	0	0	529.356	3.436	50	0		KGAARN
CCOC(=O)N1CCc2c(sc3c2C(=O)N[C@@H](c2cc(I)c(O)c(OC)c2)N3)C1	ZINC000102079864	554875761	/nfs/dbraw/zinc/87/57/61/554875761.db2.gz	OODDTBIAASCDEV-MRXNPFEDSA-N	0	0	529.356	3.436	50	0		KGAARN
CCN(Cc1ccccc1)C(=O)CCc1nc(CN2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)no1	ZINC000102088388	554877013	/nfs/dbraw/zinc/87/70/13/554877013.db2.gz	KKHNTPVNNAFOJF-UHFFFAOYSA-N	0	0	532.066	3.211	50	0		KGAARN
CCN(Cc1ccccc1)C(=O)CCc1nc(CN2CCN(S(=O)(=O)c3ccc(Br)s3)CC2)no1	ZINC000102088401	554877001	/nfs/dbraw/zinc/87/70/01/554877001.db2.gz	KGFQAXSLPSOSAA-UHFFFAOYSA-N	0	0	582.546	3.381	50	0		KGAARN
CCN(Cc1ccccc1)C(=O)CCc1nc(CN2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)no1	ZINC000102088405	554877023	/nfs/dbraw/zinc/87/70/23/554877023.db2.gz	XDVZIAOAWIFZAG-UHFFFAOYSA-N	0	0	538.095	3.272	50	0		KGAARN
CN(Cc1ccccc1)C(=O)CCc1nc(CN2CCN(S(=O)(=O)c3ccc(C(C)(C)C)cc3)CC2)no1	ZINC000102088424	554876980	/nfs/dbraw/zinc/87/69/80/554876980.db2.gz	WJCRDDWJUBCAFW-UHFFFAOYSA-N	0	0	539.702	3.465	50	0		KGAARN
CCN(Cc1ccccc1)C(=O)CCc1nc(CN2CCN(C(=O)c3ccc(Br)o3)CC2)no1	ZINC000102088641	554877025	/nfs/dbraw/zinc/87/70/25/554877025.db2.gz	DUWPLUCZDIEUDK-UHFFFAOYSA-N	0	0	530.423	3.364	50	0		KGAARN
CCN(C(=O)CCc1nc(CN2CCN(S(=O)(=O)c3ccc(Br)s3)CC2)no1)c1ccccc1	ZINC000102089026	554877281	/nfs/dbraw/zinc/87/72/81/554877281.db2.gz	PRIOASQMCRJGFQ-UHFFFAOYSA-N	0	0	568.519	3.386	50	0		KGAARN
CCOC(=O)c1ccccc1NC(=O)Cn1c2ccccc2c(=O)n(CCc2nc(-c3ccccc3)no2)c1=O	ZINC000102089258	554877235	/nfs/dbraw/zinc/87/72/35/554877235.db2.gz	DSMHDYSAGMAPPG-UHFFFAOYSA-N	0	0	539.548	3.271	50	0		KGAARN
COc1ccc(OC)c(NC(=O)Cn2c3ccccc3c(=O)n(CCc3nc(-c4ccc(C)cc4)no3)c2=O)c1	ZINC000102089271	554877222	/nfs/dbraw/zinc/87/72/22/554877222.db2.gz	ZQTUWJFQXARRAZ-UHFFFAOYSA-N	0	0	541.564	3.420	50	0		KGAARN
CCOc1ccccc1NC(=O)Cn1c2ccccc2c(=O)n(Cc2nc(-c3ccc(OC)cc3)no2)c1=O	ZINC000102089313	554877411	/nfs/dbraw/zinc/87/74/11/554877411.db2.gz	STBOJQXRNXRMDY-UHFFFAOYSA-N	0	0	527.537	3.308	50	0		KGAARN
COc1ccc(-c2noc(Cn3c(=O)c4ccccc4n(CC(=O)Nc4cc(C)ccc4OC)c3=O)n2)cc1	ZINC000102089319	554877429	/nfs/dbraw/zinc/87/74/29/554877429.db2.gz	IUWACBLJZHJTKQ-UHFFFAOYSA-N	0	0	527.537	3.226	50	0		KGAARN
O=C(Cn1c(=O)n(Cc2nc(-c3ccccc3)no2)c(=O)c2cc3c(cc21)OCO3)Nc1ccccc1Cl	ZINC000102089406	554877431	/nfs/dbraw/zinc/87/74/31/554877431.db2.gz	FUKHSCABZGVCRY-UHFFFAOYSA-N	0	0	531.912	3.282	50	0		KGAARN
Cc1cccc(NC(=O)Cn2c3cc4c(cc3c(=O)n(Cc3nc(-c5ccccc5)no3)c2=O)OCO4)c1C	ZINC000102089440	554877443	/nfs/dbraw/zinc/87/74/43/554877443.db2.gz	BQTAWGADTIHQKM-UHFFFAOYSA-N	0	0	525.521	3.246	50	0		KGAARN
CCOc1ccccc1NC(=O)Cn1c2cc3c(cc2c(=O)n(Cc2nc(-c4ccccc4)no2)c1=O)OCO3	ZINC000102089456	554877454	/nfs/dbraw/zinc/87/74/54/554877454.db2.gz	YDLFLACEYJUBDQ-UHFFFAOYSA-N	0	0	541.520	3.028	50	0		KGAARN
CCOC(=O)N1CCc2c(sc(NC(=O)CN3CCOCC3)c2C(=O)Nc2cc(Cl)ccc2OC)C1	ZINC000102091245	554877860	/nfs/dbraw/zinc/87/78/60/554877860.db2.gz	XMYJOAUSRYPNTI-UHFFFAOYSA-N	0	0	537.038	3.448	50	0		KGAARN
CCCN1C(=O)c2cc(C(=O)NCc3cc(Br)ccc3OC)nn2C[C@@]1(C)C(=O)NC1CCCC1	ZINC000102097048	554879724	/nfs/dbraw/zinc/87/97/24/554879724.db2.gz	IILDVWCFDNJFHN-VWLOTQADSA-N	0	0	546.466	3.268	50	0		KGAARN
CCCN1C(=O)c2cc(C(=O)NCc3cc(Br)ccc3OC)nn2C[C@]1(C)C(=O)NC1CCCC1	ZINC000102097055	554879742	/nfs/dbraw/zinc/87/97/42/554879742.db2.gz	IILDVWCFDNJFHN-RUZDIDTESA-N	0	0	546.466	3.268	50	0		KGAARN
CC(C)CN(CCC(=O)NCc1ccc2c(c1)OCO2)C(=O)c1cc2n(n1)CCCN(Cc1ccccc1)C2=O	ZINC000102100968	554881795	/nfs/dbraw/zinc/88/17/95/554881795.db2.gz	SOLBCTSNRAGQHG-UHFFFAOYSA-N	0	0	545.640	3.463	50	0		KGAARN
CCCCn1c(=O)/c(=C2/Sc3ccc(OC)cc3N2C)s/c1=C1/C(=O)N(c2ccccc2)C(=S)N1C	ZINC000102101182	554881824	/nfs/dbraw/zinc/88/18/24/554881824.db2.gz	PWQXPEDJIDWIPY-VQINFILPSA-N	0	0	538.720	3.398	50	0		KGAARN
O=C(CN1CCN(C(=O)c2csc(Nc3ccccc3F)n2)CC1)N1CCN(CCc2ccccc2)CC1	ZINC000102155334	554889895	/nfs/dbraw/zinc/88/98/95/554889895.db2.gz	XEYMKZAUDQCJAJ-UHFFFAOYSA-N	0	0	536.677	3.171	50	0		KGAARN
O=C(CN1CCN(C(=O)c2csc(Nc3ccc(F)cc3)n2)CC1)N1CCN(CCc2ccccc2)CC1	ZINC000102155459	554889852	/nfs/dbraw/zinc/88/98/52/554889852.db2.gz	BAQCZRKARLLOBN-UHFFFAOYSA-N	0	0	536.677	3.171	50	0		KGAARN
CCOC(=O)c1ccc2c(c1)N(CC(=O)Nc1ccc(OC)cc1OC)C(=O)c1ccccc1S2(=O)=O	ZINC000102161002	554890167	/nfs/dbraw/zinc/89/01/67/554890167.db2.gz	NEVVEWNKYKDWFL-UHFFFAOYSA-N	0	0	524.551	3.312	50	0		KGAARN
CCOC(=O)c1ccc2c(c1)N(CC(=O)Nc1ccccc1C(=O)OCC)C(=O)c1ccccc1S2(=O)=O	ZINC000102161007	554890143	/nfs/dbraw/zinc/89/01/43/554890143.db2.gz	IANKHFWKXYRGFU-UHFFFAOYSA-N	0	0	536.562	3.472	50	0		KGAARN
Cc1cc(-c2c(C)nc3scc(CC(=O)NCCCN4CCOCC4)n3c2=O)nn1-c1ccc(C)cc1C	ZINC000102168563	554890586	/nfs/dbraw/zinc/89/05/86/554890586.db2.gz	WUKPMMMLTKPTMC-UHFFFAOYSA-N	0	0	534.686	3.223	50	0		KGAARN
CCc1ccccc1-n1nc(-c2c(C)nc3scc(CC(=O)NCCCN4CCOCC4)n3c2=O)cc1C	ZINC000102168773	554890632	/nfs/dbraw/zinc/89/06/32/554890632.db2.gz	KRRQEZUFHMXNBZ-UHFFFAOYSA-N	0	0	534.686	3.169	50	0		KGAARN
Cc1cc(-c2c(C)nc3scc(CC(=O)NCCCN4CCOCC4)n3c2=O)nn1-c1cc(C)ccc1C	ZINC000102168812	554890625	/nfs/dbraw/zinc/89/06/25/554890625.db2.gz	XNNWHCUZFQSAOW-UHFFFAOYSA-N	0	0	534.686	3.223	50	0		KGAARN
COCCNC(=O)c1ccc2c(c1)nc(SCC(=O)c1ccc3c(c1)OCO3)n(-c1ccc(OC)cc1)c2=O	ZINC000102176776	554892486	/nfs/dbraw/zinc/89/24/86/554892486.db2.gz	LIGZNGQHACVWIF-UHFFFAOYSA-N	0	0	547.589	3.474	50	0		KGAARN
Cc1ccc(C(=O)N(CCN2CCOCC2)CC(=O)N2CCCN(c3ccc(-c4ccc(F)cc4)nn3)CC2)cc1	ZINC000102191376	554894640	/nfs/dbraw/zinc/89/46/40/554894640.db2.gz	MLMSXCAEARYNBZ-UHFFFAOYSA-N	0	0	560.674	3.104	50	0		KGAARN
Cc1ccc(C(=O)N(CCN2CCOCC2)CC(=O)N2CCCN(c3ccc(-c4ccc(C)cc4)nn3)CC2)cc1	ZINC000102191467	554894860	/nfs/dbraw/zinc/89/48/60/554894860.db2.gz	UKHKEAPTCFFVSZ-UHFFFAOYSA-N	0	0	556.711	3.274	50	0		KGAARN
Cc1ccc(-c2ccc(N3CCCN(C(=O)CN(CCN4CCOCC4)C(=O)c4cccs4)CC3)nn2)cc1	ZINC000102191507	554894956	/nfs/dbraw/zinc/89/49/56/554894956.db2.gz	JHNJWFJEHXUQCH-UHFFFAOYSA-N	0	0	548.713	3.027	50	0		KGAARN
O=C(CN(CCN1CCOCC1)C(=O)c1ccccc1Cl)N1CCCN(c2ccc(-c3ccc(F)cc3)nn2)CC1	ZINC000102191537	554894830	/nfs/dbraw/zinc/89/48/30/554894830.db2.gz	YZBQVMOUCQSDTM-UHFFFAOYSA-N	0	0	581.092	3.449	50	0		KGAARN
Cc1ccccc1C(=O)N(CCN1CCOCC1)CC(=O)N1CCCN(c2ccc(-c3ccc(F)cc3)nn2)CC1	ZINC000102192020	554894965	/nfs/dbraw/zinc/89/49/65/554894965.db2.gz	LSEAUDHYNIJENX-UHFFFAOYSA-N	0	0	560.674	3.104	50	0		KGAARN
O=C(CN(CCN1CCOCC1)C(=O)c1ccc(Cl)cc1)N1CCCN(c2ccc(-c3ccc(F)cc3)nn2)CC1	ZINC000102192195	554894930	/nfs/dbraw/zinc/89/49/30/554894930.db2.gz	IFQGCHGXRJEVJC-UHFFFAOYSA-N	0	0	581.092	3.449	50	0		KGAARN
O=S(=O)(c1ccc(N2CCCC2)c(N[C@@H](O)c2ccccc2I)c1)N1CCOCC1	ZINC000102192297	554894842	/nfs/dbraw/zinc/89/48/42/554894842.db2.gz	GTYHVVPRFFNCDZ-NRFANRHFSA-N	0	0	543.427	3.015	50	0		KGAARN
O=S(=O)(c1ccc(N2CCCC2)c(N[C@H](O)c2ccccc2I)c1)N1CCOCC1	ZINC000102192301	554894915	/nfs/dbraw/zinc/89/49/15/554894915.db2.gz	GTYHVVPRFFNCDZ-OAQYLSRUSA-N	0	0	543.427	3.015	50	0		KGAARN
O=C(CN(CCN1CCOCC1)C(=O)C1CCC1)N1CCN(c2ccc(-c3ccc(Cl)cc3Cl)nn2)CC1	ZINC000102192338	554895127	/nfs/dbraw/zinc/89/51/27/554895127.db2.gz	VPUUMQLBORGXEH-UHFFFAOYSA-N	0	0	561.514	3.060	50	0		KGAARN
Cc1ccc(-c2ccc(N3CCCN(C(=O)CN(CCN4CCOCC4)C(=O)c4ccc(F)cc4)CC3)nn2)cc1	ZINC000102192498	554895199	/nfs/dbraw/zinc/89/51/99/554895199.db2.gz	ZIXIRSSJEDMMNU-UHFFFAOYSA-N	0	0	560.674	3.104	50	0		KGAARN
Cc1ccc(-c2ccc(N3CCCN(C(=O)CN(CCN4CCOCC4)C(=O)c4ccccc4C)CC3)nn2)cc1	ZINC000102192662	554895130	/nfs/dbraw/zinc/89/51/30/554895130.db2.gz	WDIRSKIBWMLXLD-UHFFFAOYSA-N	0	0	556.711	3.274	50	0		KGAARN
Cc1ccc(-c2ccc(N3CCCN(C(=O)CN(CCN4CCOCC4)C(=O)c4cccc(F)c4)CC3)nn2)cc1	ZINC000102192671	554895188	/nfs/dbraw/zinc/89/51/88/554895188.db2.gz	ODYURIQQHGIVNH-UHFFFAOYSA-N	0	0	560.674	3.104	50	0		KGAARN
Cc1ccc(-c2ccc(N3CCN(C(=O)CN(CCN4CCOCC4)C(=O)c4ccc(Cl)cc4)CC3)nn2)cc1	ZINC000102192830	554895136	/nfs/dbraw/zinc/89/51/36/554895136.db2.gz	DNNCQEUSTRSRNS-UHFFFAOYSA-N	0	0	563.102	3.229	50	0		KGAARN
Cc1ccc(-c2ccc(N3CCCN(C(=O)CN(CCN4CCOCC4)C(=O)c4ccccc4F)CC3)nn2)cc1	ZINC000102193001	554895112	/nfs/dbraw/zinc/89/51/12/554895112.db2.gz	JHEMLQSRMSGLGG-UHFFFAOYSA-N	0	0	560.674	3.104	50	0		KGAARN
Cc1ccc(-c2ccc(N3CCN(C(=O)CN(CCN4CCOCC4)C(=O)c4ccccc4Cl)CC3)nn2)cc1	ZINC000102193367	554895168	/nfs/dbraw/zinc/89/51/68/554895168.db2.gz	MSGQMEWWWJKEKA-UHFFFAOYSA-N	0	0	563.102	3.229	50	0		KGAARN
O=C(CN(CCN1CCOCC1)C(=O)c1ccccc1F)N1CCCN(c2ccc(-c3ccccc3Cl)nn2)CC1	ZINC000102193781	554895115	/nfs/dbraw/zinc/89/51/15/554895115.db2.gz	GXLFDWCFUFULKQ-UHFFFAOYSA-N	0	0	581.092	3.449	50	0		KGAARN
O=C(CN(CCN1CCOCC1)C(=O)c1ccc(F)cc1)N1CCCN(c2ccc(-c3ccccc3Cl)nn2)CC1	ZINC000102193787	554895133	/nfs/dbraw/zinc/89/51/33/554895133.db2.gz	HIVVQKKEUFWSJQ-UHFFFAOYSA-N	0	0	581.092	3.449	50	0		KGAARN
O=C(CN(CCN1CCOCC1)C(=O)c1ccc(F)cc1)N1CCN(c2ccc(-c3ccccc3Cl)nn2)CC1	ZINC000102194222	554895474	/nfs/dbraw/zinc/89/54/74/554895474.db2.gz	BYOFYCIIJRQTOA-UHFFFAOYSA-N	0	0	567.065	3.059	50	0		KGAARN
COc1ccc(-c2cnc3ncnn3c2N2CCN(S(=O)(=O)c3ccc(OC(F)(F)F)cc3)CC2)cc1	ZINC000102213414	554897175	/nfs/dbraw/zinc/89/71/75/554897175.db2.gz	ABLRLHPPDZHPTB-UHFFFAOYSA-N	0	0	534.520	3.209	50	0		KGAARN
COc1ccc(-c2cnc3ncnn3c2N2CCN(S(=O)(=O)c3ccccc3OC(F)(F)F)CC2)cc1	ZINC000102213428	554897131	/nfs/dbraw/zinc/89/71/31/554897131.db2.gz	RGAWNPSBLYPHJV-UHFFFAOYSA-N	0	0	534.520	3.209	50	0		KGAARN
COc1ccc(-c2cnc3ncnn3c2N2CCN(S(=O)(=O)c3cccc(OC(F)(F)F)c3)CC2)cc1	ZINC000102213456	554897151	/nfs/dbraw/zinc/89/71/51/554897151.db2.gz	WYWHISVTWPLUTN-UHFFFAOYSA-N	0	0	534.520	3.209	50	0		KGAARN
COc1ccc(-c2cnc3ncnn3c2N2CCN(S(=O)(=O)c3cccc(Cl)c3C)CC2)cc1OC	ZINC000102213598	554897184	/nfs/dbraw/zinc/89/71/84/554897184.db2.gz	CXVJVLHUSXQXKR-UHFFFAOYSA-N	0	0	529.022	3.281	50	0		KGAARN
COc1ccc(-c2cnc3ncnn3c2N2CCCN(S(=O)(=O)c3cccc(Cl)c3)CC2)cc1OC	ZINC000102213698	554897439	/nfs/dbraw/zinc/89/74/39/554897439.db2.gz	JLXPMWWTPOVVCK-UHFFFAOYSA-N	0	0	529.022	3.363	50	0		KGAARN
COc1ccc(-c2cnc3ncnn3c2N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)cc1OC	ZINC000102213728	554897412	/nfs/dbraw/zinc/89/74/12/554897412.db2.gz	FBNWOBRPSHFIPB-UHFFFAOYSA-N	0	0	530.610	3.473	50	0		KGAARN
COc1ccc(-c2cnc3ncnn3c2N2CCN(S(=O)(=O)c3ccc(F)cc3Cl)CC2)cc1OC	ZINC000102213787	554897486	/nfs/dbraw/zinc/89/74/86/554897486.db2.gz	QMOOKLLMAMBZNA-UHFFFAOYSA-N	0	0	532.985	3.112	50	0		KGAARN
COc1ccc(-c2cnc3ncnn3c2N2CCCN(S(=O)(=O)c3cc(Cl)ccc3OC)CC2)cc1	ZINC000102213843	554897453	/nfs/dbraw/zinc/89/74/53/554897453.db2.gz	CJRBAFKHRGBOCM-UHFFFAOYSA-N	0	0	529.022	3.363	50	0		KGAARN
COc1ccc(-c2cnc3ncnn3c2N2CCN(S(=O)(=O)c3ccc(C)c(Cl)c3)CC2)cc1OC	ZINC000102213917	554897560	/nfs/dbraw/zinc/89/75/60/554897560.db2.gz	YESQLEHEXRGAIM-UHFFFAOYSA-N	0	0	529.022	3.281	50	0		KGAARN
CCc1nc(-c2ccc(C)c(S(=O)(=O)N3CCC(C(=O)N4CCN(c5ccc(F)cc5)CC4)CC3)c2)no1	ZINC000102213935	554897613	/nfs/dbraw/zinc/89/76/13/554897613.db2.gz	OOLXCSGYSKYFIY-UHFFFAOYSA-N	0	0	541.649	3.496	50	0		KGAARN
CCc1nc(-c2ccc(C)c(S(=O)(=O)N3CCC(C(=O)N4CCN(c5ccccc5F)CC4)CC3)c2)no1	ZINC000102213945	554897566	/nfs/dbraw/zinc/89/75/66/554897566.db2.gz	KSCLRAQWKDLVGQ-UHFFFAOYSA-N	0	0	541.649	3.496	50	0		KGAARN
Cc1nc(-c2ccc(Cl)c(S(=O)(=O)N3CCC[C@H](C(=O)N4CCN(c5ccccc5)CC4)C3)c2)no1	ZINC000102214014	554897622	/nfs/dbraw/zinc/89/76/22/554897622.db2.gz	JDYSIVCHNYXGFW-FQEVSTJZSA-N	0	0	530.050	3.448	50	0		KGAARN
Cc1nc(-c2ccc(Cl)c(S(=O)(=O)N3CCC[C@@H](C(=O)N4CCN(c5ccccc5)CC4)C3)c2)no1	ZINC000102214022	554897600	/nfs/dbraw/zinc/89/76/00/554897600.db2.gz	JDYSIVCHNYXGFW-HXUWFJFHSA-N	0	0	530.050	3.448	50	0		KGAARN
COc1ccc(-c2cnc3ncnn3c2N2CCCN(S(=O)(=O)c3ccc(Br)cc3)CC2)cc1OC	ZINC000102214181	554897635	/nfs/dbraw/zinc/89/76/35/554897635.db2.gz	GACCMVOCSWZLIW-UHFFFAOYSA-N	0	0	573.473	3.472	50	0		KGAARN
COc1ccc(-c2cnc3ncnn3c2N2CCCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1OC	ZINC000102214192	554897571	/nfs/dbraw/zinc/89/75/71/554897571.db2.gz	PXCHWZXUXPBPAJ-UHFFFAOYSA-N	0	0	529.022	3.363	50	0		KGAARN
COc1ccc(-c2cnc3ncnn3c2N2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)cc1OC	ZINC000102214206	554898029	/nfs/dbraw/zinc/89/80/29/554898029.db2.gz	RHZVEHRPPCZZQA-UHFFFAOYSA-N	0	0	548.547	3.338	50	0		KGAARN
COc1ccc(-c2cnc3ncnn3c2N2CCN(S(=O)(=O)c3ccc(C(F)(F)F)cc3)CC2)cc1OC	ZINC000102214229	554898039	/nfs/dbraw/zinc/89/80/39/554898039.db2.gz	CSJGSELARABVNU-UHFFFAOYSA-N	0	0	548.547	3.338	50	0		KGAARN
COc1ccc(-c2cnc3ncnn3c2N2CCCN(S(=O)(=O)c3ccccc3Cl)CC2)cc1OC	ZINC000102214269	554898006	/nfs/dbraw/zinc/89/80/06/554898006.db2.gz	CBROYKXFRIBTTF-UHFFFAOYSA-N	0	0	529.022	3.363	50	0		KGAARN
COc1ccc(-c2cnc3ncnn3c2N2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)cc1OC	ZINC000102214294	554898013	/nfs/dbraw/zinc/89/80/13/554898013.db2.gz	XWEAZFKTRRVVBC-UHFFFAOYSA-N	0	0	548.547	3.338	50	0		KGAARN
CC(C)Cn1c(CN(CCN2CCOCC2)C(=O)Cc2ccccc2)cnc1S(=O)(=O)Cc1ccccc1	ZINC000102214535	554897962	/nfs/dbraw/zinc/89/79/62/554897962.db2.gz	XPEMUXWHNFNPSY-UHFFFAOYSA-N	0	0	538.714	3.417	50	0		KGAARN
CC(C)Cn1c(CN(CCN2CCOCC2)C(=O)c2ccc3c(c2)OCO3)cnc1S(=O)(=O)Cc1ccccc1	ZINC000102214645	554897996	/nfs/dbraw/zinc/89/79/96/554897996.db2.gz	PJXABGBGPGKICQ-UHFFFAOYSA-N	0	0	568.696	3.216	50	0		KGAARN
Cc1cc2c(cc1S(=O)(=O)N1CCC[C@H](C(=O)Nc3ccc(Br)cc3F)C1)OCC(=O)N2	ZINC000102215841	554898114	/nfs/dbraw/zinc/89/81/14/554898114.db2.gz	ANWXGAMGYWYSTE-ZDUSSCGKSA-N	0	0	526.384	3.267	50	0		KGAARN
Cc1cc2c(cc1S(=O)(=O)N1CCC[C@@H](C(=O)Nc3ccc(Br)cc3F)C1)OCC(=O)N2	ZINC000102215849	554898213	/nfs/dbraw/zinc/89/82/13/554898213.db2.gz	ANWXGAMGYWYSTE-CYBMUJFWSA-N	0	0	526.384	3.267	50	0		KGAARN
Cc1ccc(Cl)cc1N1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3cc4c(cc3C)NC(=O)CO4)C2)CC1	ZINC000102215881	554898174	/nfs/dbraw/zinc/89/81/74/554898174.db2.gz	LMYAXYMGGXDOTF-LJQANCHMSA-N	0	0	547.077	3.037	50	0		KGAARN
Cc1ccc(Cl)cc1N1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3cc4c(cc3C)NC(=O)CO4)C2)CC1	ZINC000102215884	554898116	/nfs/dbraw/zinc/89/81/16/554898116.db2.gz	LMYAXYMGGXDOTF-IBGZPJMESA-N	0	0	547.077	3.037	50	0		KGAARN
COc1ccc(OC)c(S(=O)(=O)N2CCN(c3nc4nccc(-c5cccc(C(F)(F)F)c5)n4n3)CC2)c1	ZINC000102216006	554898140	/nfs/dbraw/zinc/89/81/40/554898140.db2.gz	LPXWDKVVIFEIOH-UHFFFAOYSA-N	0	0	548.547	3.338	50	0		KGAARN
Cc1cc(C(=O)N(Cc2ccco2)Cc2cc3ccc(F)cc3nc2N2CCN(CCO)CC2)c(=O)[nH]c1C	ZINC000102216102	1059017806	/nfs/dbraw/zinc/01/78/06/1059017806.db2.gz	COPWIHMJOBAHFC-UHFFFAOYSA-N	0	0	533.604	3.229	50	0		KGAARN
COc1cc(OC)c(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3cc4c(cc3Cl)NC(=O)CO4)C2)cc1Cl	ZINC000102216463	554898145	/nfs/dbraw/zinc/89/81/45/554898145.db2.gz	FIISEZDHDPMILO-GFCCVEGCSA-N	0	0	544.413	3.381	50	0		KGAARN
COc1cc(OC)c(NC(=O)[C@H]2CCCN(S(=O)(=O)c3cc4c(cc3Cl)NC(=O)CO4)C2)cc1Cl	ZINC000102216468	554898426	/nfs/dbraw/zinc/89/84/26/554898426.db2.gz	FIISEZDHDPMILO-LBPRGKRZSA-N	0	0	544.413	3.381	50	0		KGAARN
Cc1cc2c(cc1S(=O)(=O)N1CCC(C(=O)Nc3ccc(Br)cc3F)CC1)OCC(=O)N2	ZINC000102216690	554898484	/nfs/dbraw/zinc/89/84/84/554898484.db2.gz	NQXYSHUNSRIQCI-UHFFFAOYSA-N	0	0	526.384	3.267	50	0		KGAARN
Cc1ccc(Cl)cc1N1CCN(C(=O)C2CCN(S(=O)(=O)c3cc4c(cc3C)NC(=O)CO4)CC2)CC1	ZINC000102216696	554898467	/nfs/dbraw/zinc/89/84/67/554898467.db2.gz	AMTNFFSTUGEZMM-UHFFFAOYSA-N	0	0	547.077	3.037	50	0		KGAARN
Cc1cccc(N2CCN(C(=O)C3CCN(S(=O)(=O)c4cc5c(cc4Cl)NC(=O)CO5)CC3)C[C@@H]2C)c1	ZINC000102216872	554898444	/nfs/dbraw/zinc/89/84/44/554898444.db2.gz	IJOAQOZZESYFHS-SFHVURJKSA-N	0	0	547.077	3.117	50	0		KGAARN
Cc1cccc(N2CCN(C(=O)C3CCN(S(=O)(=O)c4cc5c(cc4Cl)NC(=O)CO5)CC3)C[C@H]2C)c1	ZINC000102216874	554898447	/nfs/dbraw/zinc/89/84/47/554898447.db2.gz	IJOAQOZZESYFHS-GOSISDBHSA-N	0	0	547.077	3.117	50	0		KGAARN
COc1cc(OC)c(NC(=O)[C@H]2CCCN(S(=O)(=O)c3cc4c(cc3C)NC(=O)[C@@H](C)O4)C2)cc1Cl	ZINC000102217063	554898472	/nfs/dbraw/zinc/89/84/72/554898472.db2.gz	KYFLWGDQXZNRDW-CABCVRRESA-N	0	0	538.022	3.424	50	0		KGAARN
COc1cc(OC)c(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3cc4c(cc3C)NC(=O)[C@@H](C)O4)C2)cc1Cl	ZINC000102217068	554898494	/nfs/dbraw/zinc/89/84/94/554898494.db2.gz	KYFLWGDQXZNRDW-HUUCEWRRSA-N	0	0	538.022	3.424	50	0		KGAARN
Cc1cc2c(cc1S(=O)(=O)N1CCC[C@H](C(=O)N3CCN(c4cccc(Cl)c4)CC3)C1)O[C@H](C)C(=O)N2	ZINC000102217231	554898463	/nfs/dbraw/zinc/89/84/63/554898463.db2.gz	RZKHJQHILIBDGA-MOPGFXCFSA-N	0	0	547.077	3.117	50	0		KGAARN
Cc1cc2c(cc1S(=O)(=O)N1CCC[C@@H](C(=O)N3CCN(c4cccc(Cl)c4)CC3)C1)O[C@H](C)C(=O)N2	ZINC000102217234	554898454	/nfs/dbraw/zinc/89/84/54/554898454.db2.gz	RZKHJQHILIBDGA-RTBURBONSA-N	0	0	547.077	3.117	50	0		KGAARN
CCOc1cc(CN2C[C@H](Sc3ccc(OC)cc3)C[C@H]2C(=O)N[C@@H]2CCS(=O)(=O)C2)ccc1OC	ZINC000102217875	554898691	/nfs/dbraw/zinc/89/86/91/554898691.db2.gz	ITMIDPJFONTWGG-PTUXOGIPSA-N	0	0	534.700	3.141	50	0		KGAARN
CCOc1cc(CN2C[C@H](Sc3ccc(OC)cc3)C[C@H]2C(=O)N[C@H]2CCS(=O)(=O)C2)ccc1OC	ZINC000102217880	554898711	/nfs/dbraw/zinc/89/87/11/554898711.db2.gz	ITMIDPJFONTWGG-PMOQBDJRSA-N	0	0	534.700	3.141	50	0		KGAARN
CCOC(=O)C1=C(COC(=O)C=Cc2ccc(S(=O)(=O)N3CCCCCC3)cc2)NC(=O)N[C@@H]1c1ccco1	ZINC000102220328	1059655446	/nfs/dbraw/zinc/65/54/46/1059655446.db2.gz	XVLZDTGUWIYWHR-GPFJBENQSA-N	0	0	557.625	3.272	50	0		KGAARN
CCOC(=O)C1=C(COC(=O)C=Cc2ccc(S(=O)(=O)N3CCCCCC3)cc2)NC(=O)N[C@@H]1c1ccco1	ZINC000102220334	1059655484	/nfs/dbraw/zinc/65/54/84/1059655484.db2.gz	XVLZDTGUWIYWHR-IGQYLQMFSA-N	0	0	557.625	3.272	50	0		KGAARN
CCOC(=O)C1=C(COC(=O)C=Cc2ccc(S(=O)(=O)N3CCCCCC3)cc2)NC(=O)N[C@H]1c1ccco1	ZINC000102220338	1059655499	/nfs/dbraw/zinc/65/54/99/1059655499.db2.gz	XVLZDTGUWIYWHR-QSRJBLIVSA-N	0	0	557.625	3.272	50	0		KGAARN
CCOC(=O)C1=C(COC(=O)C=Cc2ccc(S(=O)(=O)N3CCCCCC3)cc2)NC(=O)N[C@H]1c1ccco1	ZINC000102220341	1059656273	/nfs/dbraw/zinc/65/62/73/1059656273.db2.gz	XVLZDTGUWIYWHR-MYILAFDMSA-N	0	0	557.625	3.272	50	0		KGAARN
Cc1cc(C)n(CC(=O)Nc2ccc3c(c2)OCCO3)c(=O)c1S(=O)(=O)c1ccc(Br)cc1	ZINC000102220676	554899178	/nfs/dbraw/zinc/89/91/78/554899178.db2.gz	HTVICNRBMSZBBZ-UHFFFAOYSA-N	0	0	533.400	3.470	50	0		KGAARN
COC(=O)c1ccc2c(c1)[nH]c(=S)n(-c1ccc(C(=O)NCCN3CCN(c4ccccc4)CC3)cc1)c2=O	ZINC000102221548	554899337	/nfs/dbraw/zinc/89/93/37/554899337.db2.gz	VGZNQQWGSGANAW-UHFFFAOYSA-N	0	0	543.649	3.387	50	0		KGAARN
CCOC(=O)C1=C(CSc2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)NC(=O)N[C@@H]1c1ccc(OC)cc1	ZINC000102226185	554899523	/nfs/dbraw/zinc/89/95/23/554899523.db2.gz	OMYVFHOJHYOSEA-OAQYLSRUSA-N	0	0	532.582	3.081	50	0		KGAARN
CCOC(=O)C1=C(CSc2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)NC(=O)N[C@H]1c1ccc(OC)cc1	ZINC000102226188	554899582	/nfs/dbraw/zinc/89/95/82/554899582.db2.gz	OMYVFHOJHYOSEA-NRFANRHFSA-N	0	0	532.582	3.081	50	0		KGAARN
COc1ccc(CN2C[C@H](OCc3ccccc3F)CN(C(=O)[C@@H]3CC(=O)N(Cc4cccnc4)C3)CC2=O)cc1	ZINC000102226569	554899547	/nfs/dbraw/zinc/89/95/47/554899547.db2.gz	XIZHGKSCTMYSTE-VPUSJEBWSA-N	0	0	560.626	3.034	50	0		KGAARN
COc1ccc(CN2C[C@@H](OCc3ccccc3F)CN(C(=O)[C@@H]3CC(=O)N(Cc4cccnc4)C3)CC2=O)cc1	ZINC000102226572	554899555	/nfs/dbraw/zinc/89/95/55/554899555.db2.gz	XIZHGKSCTMYSTE-XNMGPUDCSA-N	0	0	560.626	3.034	50	0		KGAARN
COc1ccc(CN2C[C@H](OCc3ccccc3F)CN(C(=O)[C@H]3CC(=O)N(Cc4cccnc4)C3)CC2=O)cc1	ZINC000102226575	554899560	/nfs/dbraw/zinc/89/95/60/554899560.db2.gz	XIZHGKSCTMYSTE-BDYUSTAISA-N	0	0	560.626	3.034	50	0		KGAARN
COc1ccc(CN2C[C@@H](OCc3ccccc3F)CN(C(=O)[C@H]3CC(=O)N(Cc4cccnc4)C3)CC2=O)cc1	ZINC000102226580	554899517	/nfs/dbraw/zinc/89/95/17/554899517.db2.gz	XIZHGKSCTMYSTE-AHKZPQOWSA-N	0	0	560.626	3.034	50	0		KGAARN
CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)c2cc3c(nc4ccccn4c3=O)s2)c1	ZINC000102230425	554899926	/nfs/dbraw/zinc/89/99/26/554899926.db2.gz	VKZGPPBAKXQYSG-UHFFFAOYSA-N	0	0	541.655	3.029	50	0		KGAARN
CCN1C2=C(C(=O)N([C@@H](Cc3ccccc3)C(=O)N3CCOCC3)C2)[C@H](c2ccc(C(F)(F)F)cc2)NC1=O	ZINC000102231308	554900176	/nfs/dbraw/zinc/90/01/76/554900176.db2.gz	APKIVAKTJZLYNT-URXFXBBRSA-N	0	0	542.558	3.358	50	0		KGAARN
CCN1C2=C(C(=O)N([C@@H](Cc3ccccc3)C(=O)N3CCOCC3)C2)[C@@H](c2ccc(C(F)(F)F)cc2)NC1=O	ZINC000102231313	554900164	/nfs/dbraw/zinc/90/01/64/554900164.db2.gz	APKIVAKTJZLYNT-XUZZJYLKSA-N	0	0	542.558	3.358	50	0		KGAARN
CCN1C2=C(C(=O)N([C@H](Cc3ccccc3)C(=O)N3CCOCC3)C2)[C@H](c2ccc(C(F)(F)F)cc2)NC1=O	ZINC000102231316	554900242	/nfs/dbraw/zinc/90/02/42/554900242.db2.gz	APKIVAKTJZLYNT-QPPBQGQZSA-N	0	0	542.558	3.358	50	0		KGAARN
CCN1C2=C(C(=O)N([C@H](Cc3ccccc3)C(=O)N3CCOCC3)C2)[C@@H](c2ccc(C(F)(F)F)cc2)NC1=O	ZINC000102231319	554900167	/nfs/dbraw/zinc/90/01/67/554900167.db2.gz	APKIVAKTJZLYNT-ZJSXRUAMSA-N	0	0	542.558	3.358	50	0		KGAARN
COc1ccc(C(OC[C@H]2O[C@@H](n3ccc(N)nc3=O)[C@H](OC)[C@@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1	ZINC000102234927	554901258	/nfs/dbraw/zinc/90/12/58/554901258.db2.gz	JUECLTUXFCGWTO-YXINZVNLSA-N	0	0	559.619	3.125	50	0		KGAARN
O=S(=O)(c1ccccc1)N(CCN1CCOCC1)Cc1cc(Cl)ccc1OCc1nc(CO)cs1	ZINC000102244980	554903374	/nfs/dbraw/zinc/90/33/74/554903374.db2.gz	GBZUMIGNPVDFFD-UHFFFAOYSA-N	0	0	538.091	3.391	50	0		KGAARN
COc1ccccc1C(=O)N[C@@H](CCSC)C(=O)NCCN1C(=O)S/C(=C/c2ccc3c(c2)OCO3)C1=O	ZINC000102261302	1059656242	/nfs/dbraw/zinc/65/62/42/1059656242.db2.gz	VKOFDYXDKHZVDF-OVBDPADQSA-N	0	0	557.650	3.128	50	0		KGAARN
COc1ccccc1C(=O)N[C@@H](CCSC)C(=O)NCCN1C(=O)S/C(=C\c2ccc3c(c2)OCO3)C1=O	ZINC000102261309	1059656127	/nfs/dbraw/zinc/65/61/27/1059656127.db2.gz	VKOFDYXDKHZVDF-GFHXCNCHSA-N	0	0	557.650	3.128	50	0		KGAARN
COc1ccccc1C(=O)N[C@H](CCSC)C(=O)NCCN1C(=O)S/C(=C/c2ccc3c(c2)OCO3)C1=O	ZINC000102261311	1059656099	/nfs/dbraw/zinc/65/60/99/1059656099.db2.gz	VKOFDYXDKHZVDF-SDLXJUDFSA-N	0	0	557.650	3.128	50	0		KGAARN
COc1ccccc1C(=O)N[C@H](CCSC)C(=O)NCCN1C(=O)S/C(=C\c2ccc3c(c2)OCO3)C1=O	ZINC000102261315	1059656308	/nfs/dbraw/zinc/65/63/08/1059656308.db2.gz	VKOFDYXDKHZVDF-QWQBBLJPSA-N	0	0	557.650	3.128	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC(C)=O)c(OC)c3)c(=O)n2[C@@H]1c1ccccc1Cl	ZINC000102270732	554905654	/nfs/dbraw/zinc/90/56/54/554905654.db2.gz	AQFSRJPEKZNXBS-FJWZAKCXSA-N	0	0	526.998	3.386	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC(C)=O)c(OC)c3)c(=O)n2[C@H]1c1ccccc1Cl	ZINC000102270737	554905613	/nfs/dbraw/zinc/90/56/13/554905613.db2.gz	AQFSRJPEKZNXBS-RQLGBQGVSA-N	0	0	526.998	3.386	50	0		KGAARN
O=C(Cn1cc(I)c(=O)c(I)c1)OCc1nc2ccccc2s1	ZINC000102275519	554906323	/nfs/dbraw/zinc/90/63/23/554906323.db2.gz	FZXLZMXVCIMZBA-UHFFFAOYSA-N	0	0	552.131	3.411	50	0		KGAARN
COc1ccc(Nc2nnc(S[C@@H](C)C(=O)Nc3cccc(S(=O)(=O)N4CCOCC4)c3)s2)cc1	ZINC000102278695	554906501	/nfs/dbraw/zinc/90/65/01/554906501.db2.gz	SVHXVUCAGUYOMC-HNNXBMFYSA-N	0	0	535.673	3.431	50	0		KGAARN
COc1ccc(Nc2nnc(S[C@H](C)C(=O)Nc3cccc(S(=O)(=O)N4CCOCC4)c3)s2)cc1	ZINC000102278699	554906496	/nfs/dbraw/zinc/90/64/96/554906496.db2.gz	SVHXVUCAGUYOMC-OAHLLOKOSA-N	0	0	535.673	3.431	50	0		KGAARN
Cc1ccc(C2=NN(C(=O)CN(CCN3CCOCC3)C(=O)NC(C)C)[C@H](c3ccc4c(c3)OCO4)C2)cc1C	ZINC000102295166	554907517	/nfs/dbraw/zinc/90/75/17/554907517.db2.gz	COOFRELSSITVCN-SANMLTNESA-N	0	0	549.672	3.462	50	0		KGAARN
Cc1ccc(C2=NN(C(=O)CN(CCN3CCOCC3)C(=O)NC(C)C)[C@@H](c3ccc4c(c3)OCO4)C2)cc1C	ZINC000102295174	554907565	/nfs/dbraw/zinc/90/75/65/554907565.db2.gz	COOFRELSSITVCN-AREMUKBSSA-N	0	0	549.672	3.462	50	0		KGAARN
CC(C)NC(=O)N(CCN1CCOCC1)Cc1cnc(S(=O)(=O)Cc2ccccc2)n1Cc1ccccc1	ZINC000102296149	554907747	/nfs/dbraw/zinc/90/77/47/554907747.db2.gz	GEVRLDOJPAZEAK-UHFFFAOYSA-N	0	0	539.702	3.158	50	0		KGAARN
Cc1ccccc1CS(=O)(=O)c1ncc(CN(CCN2CCOCC2)C(=O)NC(C)C)n1Cc1ccccc1	ZINC000102296155	554907731	/nfs/dbraw/zinc/90/77/31/554907731.db2.gz	RELLWZYHLHBDDQ-UHFFFAOYSA-N	0	0	553.729	3.466	50	0		KGAARN
COC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)ccc3OC(C)=O)c(=O)n2[C@@H]1c1cccs1	ZINC000102296805	554907802	/nfs/dbraw/zinc/90/78/02/554907802.db2.gz	PDQQJYIAXYVVNB-RPXHZFJKSA-N	0	0	533.425	3.158	50	0		KGAARN
O=C(OCc1cc(=O)n2cc(Br)ccc2n1)/C(=C/c1ccco1)n1nnnc1-c1ccccc1	ZINC000102298119	554907989	/nfs/dbraw/zinc/90/79/89/554907989.db2.gz	CSNSJZQPVBIWSM-UNOMPAQXSA-N	0	0	519.315	3.445	50	0		KGAARN
COC(=O)c1sccc1S(=O)(=O)N(Cc1ccc(OCCc2ccccn2)c(OC)c1)[C@H]1CCCCNC1=O	ZINC000102303994	1059018572	/nfs/dbraw/zinc/01/85/72/1059018572.db2.gz	UMSRTGVYNWMEKY-NRFANRHFSA-N	0	0	573.693	3.419	50	0		KGAARN
COc1ccccc1NC(=O)CSc1ncc(S(=O)(=O)c2ccc(Br)s2)c(N)n1	ZINC000102304416	554908887	/nfs/dbraw/zinc/90/88/87/554908887.db2.gz	WWOOKHXZJQMCIG-UHFFFAOYSA-N	0	0	515.436	3.455	50	0		KGAARN
COc1cccc(NC(=O)CSc2ncc(S(=O)(=O)c3ccc(Br)s3)c(N)n2)c1	ZINC000102304419	554908870	/nfs/dbraw/zinc/90/88/70/554908870.db2.gz	FRPGIBKFFRRVBS-UHFFFAOYSA-N	0	0	515.436	3.455	50	0		KGAARN
COc1ccc(NC(=O)CSc2ncc(S(=O)(=O)c3ccc(Br)s3)c(N)n2)cc1	ZINC000102304422	554908877	/nfs/dbraw/zinc/90/88/77/554908877.db2.gz	UTECCOXCLXMWHQ-UHFFFAOYSA-N	0	0	515.436	3.455	50	0		KGAARN
Nc1nc(SCC(=O)NCc2ccc(F)cc2)ncc1S(=O)(=O)c1ccc(Br)s1	ZINC000102304452	554908859	/nfs/dbraw/zinc/90/88/59/554908859.db2.gz	ZKHMSIWJUCWXNM-UHFFFAOYSA-N	0	0	517.427	3.263	50	0		KGAARN
COC(=O)c1ccccc1S(=O)(=O)N1CCC(Oc2cccc(CN3CCN(Cc4cccnc4)CC3)c2)CC1	ZINC000102311515	1059019333	/nfs/dbraw/zinc/01/93/33/1059019333.db2.gz	RDICLWJVFRJDPS-UHFFFAOYSA-N	0	0	564.708	3.418	50	0		KGAARN
COc1ccc2cc(CN(CCCN3CCCC3=O)C(=O)c3ccc4c(c3)OCO4)c(N3CCOCC3)nc2c1	ZINC000102314463	1059019199	/nfs/dbraw/zinc/01/91/99/1059019199.db2.gz	HLLIRFIEUDNDOV-UHFFFAOYSA-N	0	0	546.624	3.464	50	0		KGAARN
COc1ccc2ccc(OC)c3c2c1c(=N\NS(=O)(=O)c1ccc(C)cc1)/c3=N\NS(=O)(=O)c1ccc(C)cc1	ZINC000102319648	554911879	/nfs/dbraw/zinc/91/18/79/554911879.db2.gz	DXICPCOHDGRKAY-JOKXDOCYSA-N	0	0	578.672	3.091	50	0		KGAARN
CC(C)NC(=S)N(Cc1cnc(S(=O)(=O)Cc2ccc(F)cc2)n1C[C@@H]1CCCO1)C[C@@H]1CCCO1	ZINC000102320506	554911872	/nfs/dbraw/zinc/91/18/72/554911872.db2.gz	XJGWMRLKTZPCHL-GOTSBHOMSA-N	0	0	538.711	3.439	50	0		KGAARN
CC(C)NC(=S)N(Cc1cnc(S(=O)(=O)Cc2ccc(F)cc2)n1C[C@H]1CCCO1)C[C@@H]1CCCO1	ZINC000102320510	554911842	/nfs/dbraw/zinc/91/18/42/554911842.db2.gz	XJGWMRLKTZPCHL-XZOQPEGZSA-N	0	0	538.711	3.439	50	0		KGAARN
CC(C)NC(=S)N(Cc1cnc(S(=O)(=O)Cc2ccc(F)cc2)n1C[C@@H]1CCCO1)C[C@H]1CCCO1	ZINC000102320513	554911860	/nfs/dbraw/zinc/91/18/60/554911860.db2.gz	XJGWMRLKTZPCHL-PKTZIBPZSA-N	0	0	538.711	3.439	50	0		KGAARN
CC(C)NC(=S)N(Cc1cnc(S(=O)(=O)Cc2ccc(F)cc2)n1C[C@H]1CCCO1)C[C@H]1CCCO1	ZINC000102320517	554911858	/nfs/dbraw/zinc/91/18/58/554911858.db2.gz	XJGWMRLKTZPCHL-DHIUTWEWSA-N	0	0	538.711	3.439	50	0		KGAARN
CC(C)NC(=S)N(CCN1CCOCC1)Cc1cnc(S(=O)(=O)Cc2ccccc2)n1Cc1ccccc1	ZINC000102320550	554911827	/nfs/dbraw/zinc/91/18/27/554911827.db2.gz	RHDITPNSLUGLMJ-UHFFFAOYSA-N	0	0	555.770	3.322	50	0		KGAARN
COc1ccc(OC)c2nc(N3CCN(C(C)=O)CC3)c(CN(C[C@@H]3CCCO3)C(=O)c3ccc4c(c3)OCO4)cc12	ZINC000102332926	1059018973	/nfs/dbraw/zinc/01/89/73/1059018973.db2.gz	WXTGWVMSLLCBAJ-QHCPKHFHSA-N	0	0	576.650	3.471	50	0		KGAARN
COc1ccc(OC)c2nc(N3CCN(C(C)=O)CC3)c(CN(C[C@H]3CCCO3)C(=O)c3ccc4c(c3)OCO4)cc12	ZINC000102332930	1059018997	/nfs/dbraw/zinc/01/89/97/1059018997.db2.gz	WXTGWVMSLLCBAJ-HSZRJFAPSA-N	0	0	576.650	3.471	50	0		KGAARN
Cc1[nH]c(C)c(S(=O)(=O)N2CCC(C(=O)N3CCN(c4ccccc4)CC3)CC2)c1C(=O)N1CCCCC1	ZINC000102341412	554913164	/nfs/dbraw/zinc/91/31/64/554913164.db2.gz	KMBDHPPFSPCKRD-UHFFFAOYSA-N	0	0	541.718	3.007	50	0		KGAARN
CCCN(CCC)C(=O)Cn1c2cc(C(=O)NCc3ccc4c(c3)OCO4)ccc2c(=O)n(-c2ccccc2)c1=O	ZINC000102343349	554913415	/nfs/dbraw/zinc/91/34/15/554913415.db2.gz	VOOXYILDWPBZGI-UHFFFAOYSA-N	0	0	556.619	3.460	50	0		KGAARN
O=c1cc(CN2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)nc2sc(-c3ccccc3)nn21	ZINC000102349825	554913556	/nfs/dbraw/zinc/91/35/56/554913556.db2.gz	QCWVOSPVWFDKCX-UHFFFAOYSA-N	0	0	520.011	3.117	50	0		KGAARN
COc1ccc(S(=O)(=O)N2CCN(Cc3cc(=O)n4nc(-c5ccccc5C)sc4n3)CC2)cc1Cl	ZINC000102349869	554913595	/nfs/dbraw/zinc/91/35/95/554913595.db2.gz	UQQJHUCMWRXWSR-UHFFFAOYSA-N	0	0	546.074	3.295	50	0		KGAARN
COc1ccc(Cl)cc1S(=O)(=O)N1CCN(Cc2cc(=O)n3nc(-c4ccccc4C)sc3n2)CC1	ZINC000102349874	554913611	/nfs/dbraw/zinc/91/36/11/554913611.db2.gz	IXOXFZRBMVLXOJ-UHFFFAOYSA-N	0	0	546.074	3.295	50	0		KGAARN
Cc1ccccc1-c1nn2c(nc(CN3CCN(S(=O)(=O)c4ccc(Cl)s4)CC3)cc2=O)s1	ZINC000102349879	554913584	/nfs/dbraw/zinc/91/35/84/554913584.db2.gz	KVIIZHVYYACLGW-UHFFFAOYSA-N	0	0	522.077	3.348	50	0		KGAARN
Cc1ccccc1-c1nn2c(nc(CN3CCN(S(=O)(=O)c4ccc(F)c(Cl)c4)CC3)cc2=O)s1	ZINC000102349882	554913599	/nfs/dbraw/zinc/91/35/99/554913599.db2.gz	SDPPPZMKZSKYDI-UHFFFAOYSA-N	0	0	534.038	3.425	50	0		KGAARN
COc1ccc(S(=O)(=O)N2CCN(Cc3cc(=O)n4nc(-c5cccc(C)c5)sc4n3)CC2)cc1Cl	ZINC000102349936	554913564	/nfs/dbraw/zinc/91/35/64/554913564.db2.gz	JLGGMZOCADNOKI-UHFFFAOYSA-N	0	0	546.074	3.295	50	0		KGAARN
COc1ccc(Cl)cc1S(=O)(=O)N1CCN(Cc2cc(=O)n3nc(-c4cccc(C)c4)sc3n2)CC1	ZINC000102349945	554913550	/nfs/dbraw/zinc/91/35/50/554913550.db2.gz	RKAUEBSNKATYJH-UHFFFAOYSA-N	0	0	546.074	3.295	50	0		KGAARN
Cc1cccc(-c2nn3c(nc(CN4CCN(S(=O)(=O)c5ccc(Cl)s5)CC4)cc3=O)s2)c1	ZINC000102349960	554913573	/nfs/dbraw/zinc/91/35/73/554913573.db2.gz	BFZDTDTUXJKPRA-UHFFFAOYSA-N	0	0	522.077	3.348	50	0		KGAARN
Cc1cccc(-c2nn3c(nc(CN4CCN(S(=O)(=O)c5ccc(F)c(Cl)c5)CC4)cc3=O)s2)c1	ZINC000102349964	554913559	/nfs/dbraw/zinc/91/35/59/554913559.db2.gz	FCBNKCJLVRONLR-UHFFFAOYSA-N	0	0	534.038	3.425	50	0		KGAARN
COc1ccc(S(=O)(=O)N2CCN(Cc3cc(=O)n4nc(-c5ccc(C)cc5)sc4n3)CC2)cc1Cl	ZINC000102350009	554913602	/nfs/dbraw/zinc/91/36/02/554913602.db2.gz	MDQWSZZPYFZIRX-UHFFFAOYSA-N	0	0	546.074	3.295	50	0		KGAARN
COc1ccc(Cl)cc1S(=O)(=O)N1CCN(Cc2cc(=O)n3nc(-c4ccc(C)cc4)sc3n2)CC1	ZINC000102350014	554913887	/nfs/dbraw/zinc/91/38/87/554913887.db2.gz	OWEQKJHWNVYDDN-UHFFFAOYSA-N	0	0	546.074	3.295	50	0		KGAARN
Cc1ccc(-c2nn3c(nc(CN4CCN(S(=O)(=O)c5ccc(Cl)s5)CC4)cc3=O)s2)cc1	ZINC000102350029	554913891	/nfs/dbraw/zinc/91/38/91/554913891.db2.gz	FPGJKNGSOTZWRL-UHFFFAOYSA-N	0	0	522.077	3.348	50	0		KGAARN
Cc1ccc(-c2nn3c(nc(CN4CCN(S(=O)(=O)c5ccc(F)c(Cl)c5)CC4)cc3=O)s2)cc1	ZINC000102350033	554913910	/nfs/dbraw/zinc/91/39/10/554913910.db2.gz	NCODTFMQGQWYCS-UHFFFAOYSA-N	0	0	534.038	3.425	50	0		KGAARN
O=c1cc(CN2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)nc2sc(-c3ccccc3Cl)nn21	ZINC000102350061	554913844	/nfs/dbraw/zinc/91/38/44/554913844.db2.gz	HCKGMCYSORPOSW-UHFFFAOYSA-N	0	0	520.011	3.117	50	0		KGAARN
O=c1cc(CN2CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC2)nc2sc(-c3ccccc3Cl)nn21	ZINC000102350073	554913840	/nfs/dbraw/zinc/91/38/40/554913840.db2.gz	CFUKSGSCIMMWCP-UHFFFAOYSA-N	0	0	538.001	3.256	50	0		KGAARN
O=c1cc(CN2CCN(S(=O)(=O)c3cc(F)ccc3F)CC2)nc2sc(-c3ccccc3Cl)nn21	ZINC000102350079	554913837	/nfs/dbraw/zinc/91/38/37/554913837.db2.gz	VITXBXARMQGPHZ-UHFFFAOYSA-N	0	0	538.001	3.256	50	0		KGAARN
CCOc1ccc(S(=O)(=O)N2CCN(Cc3cc(=O)n4nc(-c5ccccc5Cl)sc4n3)CC2)cc1	ZINC000102350087	554913860	/nfs/dbraw/zinc/91/38/60/554913860.db2.gz	MWNGRTFDKWYSOA-UHFFFAOYSA-N	0	0	546.074	3.377	50	0		KGAARN
O=c1cc(CN2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)nc2sc(-c3ccc(Cl)cc3)nn21	ZINC000102350101	554913852	/nfs/dbraw/zinc/91/38/52/554913852.db2.gz	VXQMWVWDKUIUDR-UHFFFAOYSA-N	0	0	520.011	3.117	50	0		KGAARN
O=c1cc(CN2CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC2)nc2sc(-c3ccc(Cl)cc3)nn21	ZINC000102350110	554913871	/nfs/dbraw/zinc/91/38/71/554913871.db2.gz	HWQLSORPSIVKBX-UHFFFAOYSA-N	0	0	538.001	3.256	50	0		KGAARN
O=c1cc(CN2CCN(S(=O)(=O)c3cc(F)ccc3F)CC2)nc2sc(-c3ccc(Cl)cc3)nn21	ZINC000102350115	554913814	/nfs/dbraw/zinc/91/38/14/554913814.db2.gz	FNPXCCUWACNGFS-UHFFFAOYSA-N	0	0	538.001	3.256	50	0		KGAARN
CCOc1ccc(S(=O)(=O)N2CCN(Cc3cc(=O)n4nc(-c5ccc(Cl)cc5)sc4n3)CC2)cc1	ZINC000102350122	554913865	/nfs/dbraw/zinc/91/38/65/554913865.db2.gz	PWYAAZAIZJQJGK-UHFFFAOYSA-N	0	0	546.074	3.377	50	0		KGAARN
Cc1cc(C)c(S(=O)(=O)N2CCN(Cc3cc(=O)n4nc(-c5ccccc5F)sc4n3)CC2)cc1C	ZINC000102350154	554913903	/nfs/dbraw/zinc/91/39/03/554913903.db2.gz	KKEKXOKTGPTEBB-UHFFFAOYSA-N	0	0	527.647	3.389	50	0		KGAARN
COc1ccc(S(=O)(=O)N2CCN(Cc3cc(=O)n4nc(-c5ccccc5F)sc4n3)CC2)cc1Cl	ZINC000102350187	554913848	/nfs/dbraw/zinc/91/38/48/554913848.db2.gz	GSOUSZCDQQVMAZ-UHFFFAOYSA-N	0	0	550.037	3.126	50	0		KGAARN
COc1ccc(Cl)cc1S(=O)(=O)N1CCN(Cc2cc(=O)n3nc(-c4ccccc4F)sc3n2)CC1	ZINC000102350191	554913855	/nfs/dbraw/zinc/91/38/55/554913855.db2.gz	ZYIHMJWYFPYLDD-UHFFFAOYSA-N	0	0	550.037	3.126	50	0		KGAARN
O=c1cc(CN2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)nc2sc(-c3ccccc3F)nn21	ZINC000102350197	554913917	/nfs/dbraw/zinc/91/39/17/554913917.db2.gz	FHPJYJQHRSASTD-UHFFFAOYSA-N	0	0	539.658	3.342	50	0		KGAARN
O=c1cc(CN2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)nc2sc(-c3ccccc3F)nn21	ZINC000102350205	554913881	/nfs/dbraw/zinc/91/38/81/554913881.db2.gz	IHCSBXQKLJEGMH-UHFFFAOYSA-N	0	0	526.040	3.179	50	0		KGAARN
O=c1cc(CN2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)nc2sc(-c3ccccc3F)nn21	ZINC000102350210	554913921	/nfs/dbraw/zinc/91/39/21/554913921.db2.gz	VTCHBXNQASCIMK-UHFFFAOYSA-N	0	0	538.001	3.256	50	0		KGAARN
Cc1cc(C)c(S(=O)(=O)N2CCN(Cc3cc(=O)n4nc(-c5cccc(F)c5)sc4n3)CC2)cc1C	ZINC000102350247	554914064	/nfs/dbraw/zinc/91/40/64/554914064.db2.gz	RLPZHBHHBPVFRC-UHFFFAOYSA-N	0	0	527.647	3.389	50	0		KGAARN
COc1ccc(S(=O)(=O)N2CCN(Cc3cc(=O)n4nc(-c5cccc(F)c5)sc4n3)CC2)cc1Cl	ZINC000102350275	554914043	/nfs/dbraw/zinc/91/40/43/554914043.db2.gz	CIBQPXBMSYKAFW-UHFFFAOYSA-N	0	0	550.037	3.126	50	0		KGAARN
COc1ccc(Cl)cc1S(=O)(=O)N1CCN(Cc2cc(=O)n3nc(-c4cccc(F)c4)sc3n2)CC1	ZINC000102350280	554914037	/nfs/dbraw/zinc/91/40/37/554914037.db2.gz	AKJBZIYEUQPUTK-UHFFFAOYSA-N	0	0	550.037	3.126	50	0		KGAARN
O=c1cc(CN2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)nc2sc(-c3cccc(F)c3)nn21	ZINC000102350289	554914051	/nfs/dbraw/zinc/91/40/51/554914051.db2.gz	MYEHDEBQTDSSEN-UHFFFAOYSA-N	0	0	539.658	3.342	50	0		KGAARN
O=c1cc(CN2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)nc2sc(-c3cccc(F)c3)nn21	ZINC000102350293	554914077	/nfs/dbraw/zinc/91/40/77/554914077.db2.gz	PVQLVHIOFMFNHP-UHFFFAOYSA-N	0	0	526.040	3.179	50	0		KGAARN
O=c1cc(CN2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)nc2sc(-c3cccc(F)c3)nn21	ZINC000102350298	554914068	/nfs/dbraw/zinc/91/40/68/554914068.db2.gz	BTPXHHISMWZDBD-UHFFFAOYSA-N	0	0	538.001	3.256	50	0		KGAARN
Cc1cc(C)c(S(=O)(=O)N2CCN(Cc3cc(=O)n4nc(-c5ccc(F)cc5)sc4n3)CC2)cc1C	ZINC000102350326	554914066	/nfs/dbraw/zinc/91/40/66/554914066.db2.gz	XPAZKKGMIHASBS-UHFFFAOYSA-N	0	0	527.647	3.389	50	0		KGAARN
COc1ccccc1-c1nn2c(nc(CN3CCN(S(=O)(=O)c4cc(C)c(C)cc4C)CC3)cc2=O)s1	ZINC000102350336	554914052	/nfs/dbraw/zinc/91/40/52/554914052.db2.gz	QNVITOGTEGFJAT-UHFFFAOYSA-N	0	0	539.683	3.258	50	0		KGAARN
COc1ccc(S(=O)(=O)N2CCN(Cc3cc(=O)n4nc(-c5cccs5)sc4n3)CC2)cc1Cl	ZINC000102350372	554914047	/nfs/dbraw/zinc/91/40/47/554914047.db2.gz	MOKHXZHFHLONOC-UHFFFAOYSA-N	0	0	538.076	3.048	50	0		KGAARN
COc1ccc(Cl)cc1S(=O)(=O)N1CCN(Cc2cc(=O)n3nc(-c4cccs4)sc3n2)CC1	ZINC000102350376	554914036	/nfs/dbraw/zinc/91/40/36/554914036.db2.gz	QBMPOHQPNYKAAI-UHFFFAOYSA-N	0	0	538.076	3.048	50	0		KGAARN
O=c1cc(CN2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)nc2sc(-c3cccs3)nn21	ZINC000102350385	554914040	/nfs/dbraw/zinc/91/40/40/554914040.db2.gz	ALLZRRQEDNTJAI-UHFFFAOYSA-N	0	0	527.697	3.265	50	0		KGAARN
O=c1cc(CN2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)nc2sc(-c3cccs3)nn21	ZINC000102350392	554914045	/nfs/dbraw/zinc/91/40/45/554914045.db2.gz	AUNHYBAAUGCOJX-UHFFFAOYSA-N	0	0	526.040	3.179	50	0		KGAARN
COc1cccc(-c2nn3c(nc(CN4CCN(S(=O)(=O)c5cc(C)c(C)cc5C)CC4)cc3=O)s2)c1	ZINC000102350423	554914072	/nfs/dbraw/zinc/91/40/72/554914072.db2.gz	HVUSHARTHIIHMA-UHFFFAOYSA-N	0	0	539.683	3.258	50	0		KGAARN
COc1ccc(-c2nn3c(nc(CN4CCN(S(=O)(=O)c5cc(C)c(C)cc5C)CC4)cc3=O)s2)cc1	ZINC000102350441	554914334	/nfs/dbraw/zinc/91/43/34/554914334.db2.gz	BGSIFOZKKBVQRF-UHFFFAOYSA-N	0	0	539.683	3.258	50	0		KGAARN
COc1ccc(-c2nn3c(nc(CN4CCN(S(=O)(=O)c5ccc(C(C)C)cc5)CC4)cc3=O)s2)cc1	ZINC000102350465	554914341	/nfs/dbraw/zinc/91/43/41/554914341.db2.gz	AAKAKOWJBTZNGV-UHFFFAOYSA-N	0	0	539.683	3.457	50	0		KGAARN
COC(=O)c1cn([C@@H]2C[C@@H](C(=O)N3CCN(c4ccc(F)cc4)CC3)N(C/C(C)=C/c3ccccc3)C2)nn1	ZINC000102371533	554916425	/nfs/dbraw/zinc/91/64/25/554916425.db2.gz	AZHKUVIIYDJUQF-NXMHNOGUSA-N	0	0	532.620	3.272	50	0		KGAARN
CCOC(=O)[C@@H]1CCCN(C(=O)CN2C(=O)COc3ccc(C(=O)COc4ccc(Cl)cc4F)cc32)C1	ZINC000102395833	554919193	/nfs/dbraw/zinc/91/91/93/554919193.db2.gz	JAGLVAXDYLFLEN-QGZVFWFLSA-N	0	0	532.952	3.268	50	0		KGAARN
CCOC(=O)[C@H]1CCCN(C(=O)CN2C(=O)COc3ccc(C(=O)COc4ccc(Cl)cc4F)cc32)C1	ZINC000102395837	554919155	/nfs/dbraw/zinc/91/91/55/554919155.db2.gz	JAGLVAXDYLFLEN-KRWDZBQOSA-N	0	0	532.952	3.268	50	0		KGAARN
COc1ccc(C(=O)N2CCN(c3ncccc3C(=O)NCCc3ccc(OC)c(OC)c3)CC2)c(OC)c1	ZINC000102397265	554919498	/nfs/dbraw/zinc/91/94/98/554919498.db2.gz	WSAWUJYJXMBLCP-UHFFFAOYSA-N	0	0	534.613	3.051	50	0	biogenic	KGAARN
CCN(CC)C(=O)CO[C@@H]1CN(C(=O)c2ccccc2C(F)(F)F)CC(=O)N(Cc2ccc(OC)cc2)C1	ZINC000102398922	554919436	/nfs/dbraw/zinc/91/94/36/554919436.db2.gz	DGFMKFOXRZPHEU-NRFANRHFSA-N	0	0	535.563	3.452	50	0		KGAARN
CCN(CC)C(=O)CO[C@H]1CN(C(=O)c2ccccc2C(F)(F)F)CC(=O)N(Cc2ccc(OC)cc2)C1	ZINC000102398925	554919454	/nfs/dbraw/zinc/91/94/54/554919454.db2.gz	DGFMKFOXRZPHEU-OAQYLSRUSA-N	0	0	535.563	3.452	50	0		KGAARN
COc1ccc(CN2C[C@@H](OCc3ccccc3F)CN(C(=O)CCc3c(C)nc4ncnn4c3C)CC2=O)cc1	ZINC000102401085	554919727	/nfs/dbraw/zinc/91/97/27/554919727.db2.gz	YYTTWKRDXJSRAA-RUZDIDTESA-N	0	0	560.630	3.278	50	0		KGAARN
COc1ccc(CN2C[C@H](OCc3ccccc3F)CN(C(=O)CCc3c(C)nc4ncnn4c3C)CC2=O)cc1	ZINC000102401089	554919715	/nfs/dbraw/zinc/91/97/15/554919715.db2.gz	YYTTWKRDXJSRAA-VWLOTQADSA-N	0	0	560.630	3.278	50	0		KGAARN
CCOc1ccccc1N1CCN(C(=O)[C@@H]2CCCN(c3cccc4c3C(=O)N(C[C@@H]3CCCO3)C4=O)C2)CC1	ZINC000102401425	554919752	/nfs/dbraw/zinc/91/97/52/554919752.db2.gz	MQAWTDYBHHQIEL-PKTZIBPZSA-N	0	0	546.668	3.426	50	0		KGAARN
CCOc1ccccc1N1CCN(C(=O)[C@H]2CCCN(c3cccc4c3C(=O)N(C[C@@H]3CCCO3)C4=O)C2)CC1	ZINC000102401427	554919686	/nfs/dbraw/zinc/91/96/86/554919686.db2.gz	MQAWTDYBHHQIEL-GOTSBHOMSA-N	0	0	546.668	3.426	50	0		KGAARN
COc1ccc(C2(c3ccc(OC)cc3)NC(=O)N(CC(=O)Nc3cc4c(cc3C(C)=O)OCO4)C2=O)cc1	ZINC000102408554	554922756	/nfs/dbraw/zinc/92/27/56/554922756.db2.gz	URUWQSOFUJADPK-UHFFFAOYSA-N	0	0	531.521	3.069	50	0		KGAARN
COc1cccc(CO[C@@H]2CN(CCc3ccccc3)C(=O)CN(C(=O)c3nn(C)c(=O)c4ccccc43)C2)c1	ZINC000102409341	554923051	/nfs/dbraw/zinc/92/30/51/554923051.db2.gz	PGPLBQRYRDMRGU-RUZDIDTESA-N	0	0	540.620	3.055	50	0		KGAARN
COc1cccc(CO[C@H]2CN(CCc3ccccc3)C(=O)CN(C(=O)c3nn(C)c(=O)c4ccccc43)C2)c1	ZINC000102409343	554923066	/nfs/dbraw/zinc/92/30/66/554923066.db2.gz	PGPLBQRYRDMRGU-VWLOTQADSA-N	0	0	540.620	3.055	50	0		KGAARN
COc1ccc(CN2C[C@H](OCc3ccccc3F)CN(C(=O)Cc3ccc(N4CCNC4=O)cc3)CC2=O)cc1	ZINC000102409412	554923054	/nfs/dbraw/zinc/92/30/54/554923054.db2.gz	NYFLPTMBAIYLAF-MHZLTWQESA-N	0	0	560.626	3.363	50	0		KGAARN
COc1ccc(CN2C[C@@H](OCc3ccccc3F)CN(C(=O)Cc3ccc(N4CCNC4=O)cc3)CC2=O)cc1	ZINC000102409414	554923026	/nfs/dbraw/zinc/92/30/26/554923026.db2.gz	NYFLPTMBAIYLAF-HHHXNRCGSA-N	0	0	560.626	3.363	50	0		KGAARN
COc1ccc(CCNC(=O)c2c(N)n(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)c3nc4ccccc4nc32)cc1OC	ZINC000102411940	554923544	/nfs/dbraw/zinc/92/35/44/554923544.db2.gz	JDXSHAZBXXKJBC-UHFFFAOYSA-N	0	0	616.700	3.167	50	0		KGAARN
O=C(CC1CCN(C(=O)c2nnc(C(=O)Nc3ccc4c(c3)OCO4)s2)CC1)NCc1ccc(F)cc1	ZINC000102413205	554923898	/nfs/dbraw/zinc/92/38/98/554923898.db2.gz	VFZBAPFFUXVYJU-UHFFFAOYSA-N	0	0	525.562	3.217	50	0		KGAARN
O=C(CC1CCN(C(=O)c2nnc(C(=O)Nc3ccc4c(c3)OCO4)s2)CC1)NCc1ccccc1F	ZINC000102413249	554924045	/nfs/dbraw/zinc/92/40/45/554924045.db2.gz	LQNMOYZAMFZQME-UHFFFAOYSA-N	0	0	525.562	3.217	50	0		KGAARN
O=C(CC1CCN(C(=O)c2nnc(C(=O)Nc3ccc4c(c3)OCO4)s2)CC1)NCc1cccc(F)c1	ZINC000102413254	554924043	/nfs/dbraw/zinc/92/40/43/554924043.db2.gz	OSHAQGYIUVEBQQ-UHFFFAOYSA-N	0	0	525.562	3.217	50	0		KGAARN
COc1ccc(CN2CCN(c3ncc(S(=O)(=O)c4ccc(C(C)C)cc4)c(N)n3)CC2)c(OC)c1OC	ZINC000102433377	554927353	/nfs/dbraw/zinc/92/73/53/554927353.db2.gz	JJSPKBQWIBWDDO-UHFFFAOYSA-N	0	0	541.674	3.363	50	0		KGAARN
CCOc1ccc2sc(NC(=O)Cn3c(=O)ncc4cc(S(=O)(=O)N5CCCCC5)ccc43)nc2c1	ZINC000102433861	554927648	/nfs/dbraw/zinc/92/76/48/554927648.db2.gz	BVSNLGITERXKSG-UHFFFAOYSA-N	0	0	527.628	3.218	50	0		KGAARN
C[C@@H]1CCCCN1S(=O)(=O)c1ccc2c(cnc(=O)n2CC(=O)Nc2ccc(Br)cc2F)c1	ZINC000102434994	554927817	/nfs/dbraw/zinc/92/78/17/554927817.db2.gz	FUTRYIZNNHSIJZ-CQSZACIVSA-N	0	0	537.411	3.500	50	0		KGAARN
C[C@H]1CCCCN1S(=O)(=O)c1ccc2c(cnc(=O)n2CC(=O)Nc2ccc(Br)cc2F)c1	ZINC000102434999	554927841	/nfs/dbraw/zinc/92/78/41/554927841.db2.gz	FUTRYIZNNHSIJZ-AWEZNQCLSA-N	0	0	537.411	3.500	50	0		KGAARN
COc1cc(OC)c(NC(=O)Cn2c(=O)ncc3cc(S(=O)(=O)N4CCCC[C@H]4C)ccc32)cc1Cl	ZINC000102435083	554927797	/nfs/dbraw/zinc/92/77/97/554927797.db2.gz	RGXLWYGADNCPFE-OAHLLOKOSA-N	0	0	535.022	3.269	50	0		KGAARN
COc1cc(OC)c(NC(=O)Cn2c(=O)ncc3cc(S(=O)(=O)N4CCCC[C@@H]4C)ccc32)cc1Cl	ZINC000102435089	554927819	/nfs/dbraw/zinc/92/78/19/554927819.db2.gz	RGXLWYGADNCPFE-HNNXBMFYSA-N	0	0	535.022	3.269	50	0		KGAARN
COc1cc(CCNS(C)(=O)=O)c(S(=O)(=O)Nc2ccc(Oc3ccc4c(c3)OCO4)cc2)cc1OC	ZINC000102451127	554931669	/nfs/dbraw/zinc/93/16/69/554931669.db2.gz	HFCTZSDOKRQUCQ-UHFFFAOYSA-N	0	0	550.611	3.117	50	0		KGAARN
CCOC(=O)[C@H]1[C@H](c2ccc(OC)cc2)[C@@]2(C(=O)NC(=O)N(Cc3ccccc3)C2=O)[C@@H]2c3ccccc3C=NN12	ZINC000102465532	554935698	/nfs/dbraw/zinc/93/56/98/554935698.db2.gz	ZOEQKGZZYIVJKO-XZSHTLEFSA-N	0	0	552.587	3.380	50	0		KGAARN
CCOc1cc(CN2C[C@@H](n3nnc(C(=O)OC)c3C(=O)OC)C[C@H]2C(=O)Nc2cccc(SC)c2)ccc1OC	ZINC000102468134	554935920	/nfs/dbraw/zinc/93/59/20/554935920.db2.gz	PFUCAYOHYCUBRX-FPOVZHCZSA-N	0	0	583.667	3.435	50	0		KGAARN
CCCN1C(=O)c2c(C(=O)NCCc3ccc(OC)cc3OC)ncn2C[C@@]1(C)C(=O)NCc1ccc(C)cc1	ZINC000102500809	554942891	/nfs/dbraw/zinc/94/28/91/554942891.db2.gz	WUWRZQLENHWTRD-PMERELPUSA-N	0	0	547.656	3.122	50	0		KGAARN
CCCN1C(=O)c2c(C(=O)NCCc3ccc(OC)cc3OC)ncn2C[C@]1(C)C(=O)NCc1ccc(C)cc1	ZINC000102500815	554942874	/nfs/dbraw/zinc/94/28/74/554942874.db2.gz	WUWRZQLENHWTRD-SSEXGKCCSA-N	0	0	547.656	3.122	50	0		KGAARN
CCCN1C(=O)c2c(C(=O)NCCc3ccc(Cl)cc3)ncn2C[C@@]1(C)C(=O)NCc1ccc(OC)cc1	ZINC000102501178	554943064	/nfs/dbraw/zinc/94/30/64/554943064.db2.gz	YCXZXBNDUTVEFW-NDEPHWFRSA-N	0	0	538.048	3.459	50	0		KGAARN
CCCN1C(=O)c2c(C(=O)NCCc3ccc(Cl)cc3)ncn2C[C@]1(C)C(=O)NCc1ccc(OC)cc1	ZINC000102501184	554943086	/nfs/dbraw/zinc/94/30/86/554943086.db2.gz	YCXZXBNDUTVEFW-MUUNZHRXSA-N	0	0	538.048	3.459	50	0		KGAARN
CCCN1C(=O)c2c(C(=O)NCc3cc(Br)ccc3OC)ncn2C[C@@]1(C)C(=O)NC1CCCC1	ZINC000102501680	554943144	/nfs/dbraw/zinc/94/31/44/554943144.db2.gz	CHUNRGMZIGEWMS-VWLOTQADSA-N	0	0	546.466	3.268	50	0		KGAARN
CCCN1C(=O)c2c(C(=O)NCc3cc(Br)ccc3OC)ncn2C[C@]1(C)C(=O)NC1CCCC1	ZINC000102501686	554943346	/nfs/dbraw/zinc/94/33/46/554943346.db2.gz	CHUNRGMZIGEWMS-RUZDIDTESA-N	0	0	546.466	3.268	50	0		KGAARN
COc1ccccc1CCNC(=O)[C@@H]1C[C@H](n2cnnn2)CN1Cc1ccc(OCc2ccccc2)c(OC)c1	ZINC000102501759	554943353	/nfs/dbraw/zinc/94/33/53/554943353.db2.gz	OPJAXSSAYDSVKW-UIOOFZCWSA-N	0	0	542.640	3.444	50	0		KGAARN
CCCN1C(=O)c2c(C(=O)NCc3cc(Br)ccc3OC)ncn2C[C@@]1(C)C(=O)NCCC(C)C	ZINC000102501860	554943444	/nfs/dbraw/zinc/94/34/44/554943444.db2.gz	KUGSAEWDOJIPFI-VWLOTQADSA-N	0	0	548.482	3.371	50	0		KGAARN
CCCN1C(=O)c2c(C(=O)NCc3cc(Br)ccc3OC)ncn2C[C@]1(C)C(=O)NCCC(C)C	ZINC000102501866	554943455	/nfs/dbraw/zinc/94/34/55/554943455.db2.gz	KUGSAEWDOJIPFI-RUZDIDTESA-N	0	0	548.482	3.371	50	0		KGAARN
Nc1c(C(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)sc(NCCc2ccccc2)c1C(=O)N1CCCC1	ZINC000102503053	554943780	/nfs/dbraw/zinc/94/37/80/554943780.db2.gz	VZKHQBKRZBQTHS-RUZDIDTESA-N	0	0	567.737	3.211	50	0		KGAARN
Nc1c(C(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)sc(NCCc2ccccc2)c1C(=O)N1CCCC1	ZINC000102503062	554943715	/nfs/dbraw/zinc/94/37/15/554943715.db2.gz	VZKHQBKRZBQTHS-VWLOTQADSA-N	0	0	567.737	3.211	50	0		KGAARN
COc1ccccc1CNC(=O)[C@@]1(C)Cn2cnc(C(=O)NCc3ccc(SC)cc3)c2C(=O)N1C1CC1	ZINC000102503124	554944000	/nfs/dbraw/zinc/94/40/00/554944000.db2.gz	VPNFYODUGWCGOF-MUUNZHRXSA-N	0	0	533.654	3.237	50	0		KGAARN
COc1ccccc1CNC(=O)[C@]1(C)Cn2cnc(C(=O)NCc3ccc(SC)cc3)c2C(=O)N1C1CC1	ZINC000102503127	554944007	/nfs/dbraw/zinc/94/40/07/554944007.db2.gz	VPNFYODUGWCGOF-NDEPHWFRSA-N	0	0	533.654	3.237	50	0		KGAARN
COc1ccccc1CNC(=O)[C@]1(C)Cn2cnc(C(=O)NCc3ccc(OC(C)C)cc3)c2C(=O)N1C1CC1	ZINC000102503137	554943936	/nfs/dbraw/zinc/94/39/36/554943936.db2.gz	VPRPZESOSFFCIM-PMERELPUSA-N	0	0	545.640	3.302	50	0		KGAARN
COc1ccccc1CNC(=O)[C@@]1(C)Cn2cnc(C(=O)NCc3ccc(OC(C)C)cc3)c2C(=O)N1C1CC1	ZINC000102503142	554943958	/nfs/dbraw/zinc/94/39/58/554943958.db2.gz	VPRPZESOSFFCIM-SSEXGKCCSA-N	0	0	545.640	3.302	50	0		KGAARN
CCCNC(=O)c1ccc(Cn2c(=O)c3cc(OC)c(OC)cc3n(CC(=O)Nc3ccc(C)cc3)c2=O)cc1	ZINC000102523845	554950466	/nfs/dbraw/zinc/95/04/66/554950466.db2.gz	STJATGMYFUSTAC-UHFFFAOYSA-N	0	0	544.608	3.316	50	0		KGAARN
CCCNC(=O)c1ccc(Cn2c(=O)c3cc(OC)c(OC)cc3n(CC(=O)Nc3ccc(F)cc3)c2=O)cc1	ZINC000102523894	554950700	/nfs/dbraw/zinc/95/07/00/554950700.db2.gz	RADRPGCOXIZHFL-UHFFFAOYSA-N	0	0	548.571	3.146	50	0		KGAARN
CCCNC(=O)c1ccc(Cn2c(=O)c3cc(OC)c(OC)cc3n(CC(=O)Nc3cccc(C)c3)c2=O)cc1	ZINC000102523902	554950645	/nfs/dbraw/zinc/95/06/45/554950645.db2.gz	SGNATHCBMRBHKT-UHFFFAOYSA-N	0	0	544.608	3.316	50	0		KGAARN
CCCNC(=O)c1ccc(Cn2c(=O)c3cc(OC)c(OC)cc3n(CC(=O)Nc3ccccc3F)c2=O)cc1	ZINC000102523906	554950690	/nfs/dbraw/zinc/95/06/90/554950690.db2.gz	SBMRJKXRDHVOPE-UHFFFAOYSA-N	0	0	548.571	3.146	50	0		KGAARN
CCCNC(=O)c1ccc(Cn2c(=O)c3cc(OC)c(OC)cc3n(CC(=O)Nc3ccccc3)c2=O)cc1	ZINC000102523909	554950673	/nfs/dbraw/zinc/95/06/73/554950673.db2.gz	FVXJOHXFIPODIX-UHFFFAOYSA-N	0	0	530.581	3.007	50	0		KGAARN
CCCNC(=O)c1ccc(Cn2c(=O)c3cc(OC)c(OC)cc3n(Cc3cc(C=O)ccc3OC)c2=O)cc1	ZINC000102523957	554950693	/nfs/dbraw/zinc/95/06/93/554950693.db2.gz	LLUZALVFIGPWNR-UHFFFAOYSA-N	0	0	545.592	3.238	50	0		KGAARN
CCCCNC(=O)c1ccc(Cn2c(=O)c3cc(OC)c(OC)cc3n(CC(=O)Nc3ccccc3)c2=O)cc1	ZINC000102523988	554950687	/nfs/dbraw/zinc/95/06/87/554950687.db2.gz	ICPNLGGVHDSDSM-UHFFFAOYSA-N	0	0	544.608	3.397	50	0		KGAARN
COc1cc2c(cc1OC)n(CC(=O)Nc1ccc(C)cc1)c(=O)n(Cc1ccc(C(=O)NC(C)C)cc1)c2=O	ZINC000102524056	554950916	/nfs/dbraw/zinc/95/09/16/554950916.db2.gz	PTRHOSGLZWDOPH-UHFFFAOYSA-N	0	0	544.608	3.314	50	0		KGAARN
COc1cc2c(cc1OC)n(CC(=O)Nc1ccccc1C)c(=O)n(Cc1ccc(C(=O)NC(C)C)cc1)c2=O	ZINC000102524080	554950887	/nfs/dbraw/zinc/95/08/87/554950887.db2.gz	AMSUKWWCMGHBNT-UHFFFAOYSA-N	0	0	544.608	3.314	50	0		KGAARN
COc1cc2c(cc1OC)n(CC(=O)Nc1cccc(C)c1)c(=O)n(Cc1ccc(C(=O)NC(C)C)cc1)c2=O	ZINC000102524089	554950910	/nfs/dbraw/zinc/95/09/10/554950910.db2.gz	XMVLXVXQOKAPCN-UHFFFAOYSA-N	0	0	544.608	3.314	50	0		KGAARN
COc1cc2c(cc1OC)n(CC(=O)Nc1ccccc1)c(=O)n(Cc1ccc(C(=O)N3CCCC3)cc1)c2=O	ZINC000102524187	554950934	/nfs/dbraw/zinc/95/09/34/554950934.db2.gz	GVDPCRVCNFLWKT-UHFFFAOYSA-N	0	0	542.592	3.103	50	0		KGAARN
COCCCNC(=O)c1ccc(Cn2c(=O)c3cc(OC)c(OC)cc3n(Cc3ccccc3F)c2=O)cc1	ZINC000102524246	554950920	/nfs/dbraw/zinc/95/09/20/554950920.db2.gz	LDQYIEATAVMQFN-UHFFFAOYSA-N	0	0	535.572	3.182	50	0		KGAARN
COCCCNC(=O)c1ccc(Cn2c(=O)c3cc(OC)c(OC)cc3n(Cc3cccc(F)c3)c2=O)cc1	ZINC000102524250	554950933	/nfs/dbraw/zinc/95/09/33/554950933.db2.gz	HVHVZKZTDJQLSY-UHFFFAOYSA-N	0	0	535.572	3.182	50	0		KGAARN
COCCCNC(=O)c1ccc(Cn2c(=O)c3cc(OC)c(OC)cc3n(Cc3cccc(OC)c3)c2=O)cc1	ZINC000102524263	554950930	/nfs/dbraw/zinc/95/09/30/554950930.db2.gz	CAQYZQVTUBLNTC-UHFFFAOYSA-N	0	0	547.608	3.052	50	0		KGAARN
COc1cc2c(cc1OC)n(Cc1cc(C)ccc1C)c(=O)n(Cc1ccc(C(=O)N3CCOCC3)cc1)c2=O	ZINC000102524317	554951173	/nfs/dbraw/zinc/95/11/73/554951173.db2.gz	BAYBJKBNLFFDLK-UHFFFAOYSA-N	0	0	543.620	3.366	50	0		KGAARN
CCCCN(C)C(=O)c1ccc(Cn2c(=O)c3cc(OC)c(OC)cc3n(CC(=O)N[C@@H](C)CC)c2=O)cc1	ZINC000102524365	554951161	/nfs/dbraw/zinc/95/11/61/554951161.db2.gz	UZAHZFNHXQZHMM-IBGZPJMESA-N	0	0	538.645	3.016	50	0		KGAARN
CCCCN(C)C(=O)c1ccc(Cn2c(=O)c3cc(OC)c(OC)cc3n(CC(=O)N[C@H](C)CC)c2=O)cc1	ZINC000102524369	554951176	/nfs/dbraw/zinc/95/11/76/554951176.db2.gz	UZAHZFNHXQZHMM-LJQANCHMSA-N	0	0	538.645	3.016	50	0		KGAARN
COc1cc2c(cc1OC)n(CC(=O)Nc1ccc(C)cc1)c(=O)n(Cc1ccc(C(=O)NC3CC3)cc1)c2=O	ZINC000102524436	554951191	/nfs/dbraw/zinc/95/11/91/554951191.db2.gz	WYBJVFXKOOWLPA-UHFFFAOYSA-N	0	0	542.592	3.068	50	0		KGAARN
COc1cc2c(cc1OC)n(CC(=O)Nc1ccccc1C)c(=O)n(Cc1ccc(C(=O)NC3CC3)cc1)c2=O	ZINC000102524462	554951164	/nfs/dbraw/zinc/95/11/64/554951164.db2.gz	FUKKQUPFWCBJKM-UHFFFAOYSA-N	0	0	542.592	3.068	50	0		KGAARN
CC[C@@H](C)NC(=O)c1ccc(Cn2c(=O)c3cc(OC)c(OC)cc3n(CC(=O)Nc3ccccc3)c2=O)cc1	ZINC000102524563	554951362	/nfs/dbraw/zinc/95/13/62/554951362.db2.gz	SIQIDYKNCCOKOT-LJQANCHMSA-N	0	0	544.608	3.396	50	0		KGAARN
CC[C@H](C)NC(=O)c1ccc(Cn2c(=O)c3cc(OC)c(OC)cc3n(CC(=O)Nc3ccccc3)c2=O)cc1	ZINC000102524568	554951358	/nfs/dbraw/zinc/95/13/58/554951358.db2.gz	SIQIDYKNCCOKOT-IBGZPJMESA-N	0	0	544.608	3.396	50	0		KGAARN
COCCNC(=O)c1ccc(Cn2c(=O)c3cc(OC)c(OC)cc3n(Cc3ccccc3Cl)c2=O)cc1	ZINC000102524596	554951401	/nfs/dbraw/zinc/95/14/01/554951401.db2.gz	IWSURLAGGYDGSP-UHFFFAOYSA-N	0	0	538.000	3.307	50	0		KGAARN
COCCNC(=O)c1ccc(Cn2c(=O)c3cc(OC)c(OC)cc3n(Cc3ccc(Cl)cc3)c2=O)cc1	ZINC000102524602	554951359	/nfs/dbraw/zinc/95/13/59/554951359.db2.gz	NLBSUSPWGIHUKV-UHFFFAOYSA-N	0	0	538.000	3.307	50	0		KGAARN
COCCNC(=O)c1ccc(Cn2c(=O)c3cc(OC)c(OC)cc3n(Cc3cccc(Cl)c3)c2=O)cc1	ZINC000102524608	554951368	/nfs/dbraw/zinc/95/13/68/554951368.db2.gz	OZRUHUZEQUVLCN-UHFFFAOYSA-N	0	0	538.000	3.307	50	0		KGAARN
CC[C@@H](C)NC(=O)Cn1c2cc(OC)c(OC)cc2c(=O)n(Cc2ccc(C(=O)Nc3ccccc3)cc2)c1=O	ZINC000102524702	554951348	/nfs/dbraw/zinc/95/13/48/554951348.db2.gz	XIPJRTQNRNYQQV-LJQANCHMSA-N	0	0	544.608	3.396	50	0		KGAARN
CC[C@H](C)NC(=O)Cn1c2cc(OC)c(OC)cc2c(=O)n(Cc2ccc(C(=O)Nc3ccccc3)cc2)c1=O	ZINC000102524710	554951371	/nfs/dbraw/zinc/95/13/71/554951371.db2.gz	XIPJRTQNRNYQQV-IBGZPJMESA-N	0	0	544.608	3.396	50	0		KGAARN
COc1ccccc1[C@H]1C(C(=O)OC(C)(C)C)=C(C)N=C2SC=C(CC(=O)NCCN3CCOCC3)N21	ZINC000102528166	554952814	/nfs/dbraw/zinc/95/28/14/554952814.db2.gz	IRUMEBHAZGKRCE-DEOSSOPVSA-N	0	0	528.675	3.450	50	0		KGAARN
COc1ccccc1[C@@H]1C(C(=O)OC(C)(C)C)=C(C)N=C2SC=C(CC(=O)NCCN3CCOCC3)N21	ZINC000102528169	554952826	/nfs/dbraw/zinc/95/28/26/554952826.db2.gz	IRUMEBHAZGKRCE-XMMPIXPASA-N	0	0	528.675	3.450	50	0		KGAARN
COc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=C3SC=C(CC(=O)NCCN4CCOCC4)N32)cc1	ZINC000102530521	554953595	/nfs/dbraw/zinc/95/35/95/554953595.db2.gz	ZHAYYDSMXBTTEI-DEOSSOPVSA-N	0	0	514.648	3.060	50	0		KGAARN
COc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=C3SC=C(CC(=O)NCCN4CCOCC4)N32)cc1	ZINC000102530527	554953720	/nfs/dbraw/zinc/95/37/20/554953720.db2.gz	ZHAYYDSMXBTTEI-XMMPIXPASA-N	0	0	514.648	3.060	50	0		KGAARN
COc1ccccc1[C@H]1C(C(=O)OC(C)C)=C(C)N=C2SC=C(CC(=O)NCCN3CCOCC3)N21	ZINC000102535537	554955399	/nfs/dbraw/zinc/95/53/99/554955399.db2.gz	YEFXFJHTHOZFSA-DEOSSOPVSA-N	0	0	514.648	3.060	50	0		KGAARN
COc1ccccc1[C@@H]1C(C(=O)OC(C)C)=C(C)N=C2SC=C(CC(=O)NCCN3CCOCC3)N21	ZINC000102535542	554955389	/nfs/dbraw/zinc/95/53/89/554955389.db2.gz	YEFXFJHTHOZFSA-XMMPIXPASA-N	0	0	514.648	3.060	50	0		KGAARN
CCOC(=O)c1nc2ccccc2nc1N1CCCN(S(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)CC1	ZINC000102537490	554956247	/nfs/dbraw/zinc/95/62/47/554956247.db2.gz	YZPZXYRFQAPAFO-UHFFFAOYSA-N	0	0	530.475	3.403	50	0		KGAARN
CCOc1ccc(CNC(=O)CN2c3cc(S(=O)(=O)N4CCCCC4)ccc3N3CCCC[C@@H]3C2=O)cc1	ZINC000102545594	554959081	/nfs/dbraw/zinc/95/90/81/554959081.db2.gz	OTSZGQBWLQMAPZ-RUZDIDTESA-N	0	0	540.686	3.282	50	0		KGAARN
CCOc1ccc(CNC(=O)CN2c3cc(S(=O)(=O)N4CCCCC4)ccc3N3CCCC[C@H]3C2=O)cc1	ZINC000102545602	554959104	/nfs/dbraw/zinc/95/91/04/554959104.db2.gz	OTSZGQBWLQMAPZ-VWLOTQADSA-N	0	0	540.686	3.282	50	0		KGAARN
COC(=O)c1ncn2c1C(=O)N(Cc1cc(Br)ccc1OC)[C@@](C)(C(=O)NCc1ccccc1)C2	ZINC000102550964	554961665	/nfs/dbraw/zinc/96/16/65/554961665.db2.gz	HXTJAJFSKXWLRG-RUZDIDTESA-N	0	0	541.402	3.172	50	0		KGAARN
COC(=O)c1ncn2c1C(=O)N(Cc1cc(Br)ccc1OC)[C@](C)(C(=O)NCc1ccccc1)C2	ZINC000102550970	554961701	/nfs/dbraw/zinc/96/17/01/554961701.db2.gz	HXTJAJFSKXWLRG-VWLOTQADSA-N	0	0	541.402	3.172	50	0		KGAARN
CCOC(=O)C1=C(C)N=C2SC=C(CC(=O)NCCCN3CCOCC3)N2[C@@H]1c1cccc(OC)c1	ZINC000102551064	554961868	/nfs/dbraw/zinc/96/18/68/554961868.db2.gz	ZPWKKBODSYNLII-XMMPIXPASA-N	0	0	514.648	3.062	50	0		KGAARN
CCOC(=O)C1=C(C)N=C2SC=C(CC(=O)NCCCN3CCOCC3)N2[C@H]1c1cccc(OC)c1	ZINC000102551066	554961883	/nfs/dbraw/zinc/96/18/83/554961883.db2.gz	ZPWKKBODSYNLII-DEOSSOPVSA-N	0	0	514.648	3.062	50	0		KGAARN
COC(=O)c1ncn2c1C(=O)N(Cc1cccc(Br)c1)[C@@](C)(C(=O)NCc1ccccc1OC)C2	ZINC000102551177	554961928	/nfs/dbraw/zinc/96/19/28/554961928.db2.gz	XNGQQKPTEOTCAZ-RUZDIDTESA-N	0	0	541.402	3.172	50	0		KGAARN
COC(=O)c1ncn2c1C(=O)N(Cc1cccc(Br)c1)[C@](C)(C(=O)NCc1ccccc1OC)C2	ZINC000102551184	554961879	/nfs/dbraw/zinc/96/18/79/554961879.db2.gz	XNGQQKPTEOTCAZ-VWLOTQADSA-N	0	0	541.402	3.172	50	0		KGAARN
CCC1=C(C(=O)OC)[C@H](c2ccccc2OC)N2C(CC(=O)NCCCN3CCOCC3)=CSC2=N1	ZINC000102551256	554961983	/nfs/dbraw/zinc/96/19/83/554961983.db2.gz	YARGGDGXQWIZBJ-DEOSSOPVSA-N	0	0	514.648	3.062	50	0		KGAARN
CCC1=C(C(=O)OC)[C@@H](c2ccccc2OC)N2C(CC(=O)NCCCN3CCOCC3)=CSC2=N1	ZINC000102551259	554962016	/nfs/dbraw/zinc/96/20/16/554962016.db2.gz	YARGGDGXQWIZBJ-XMMPIXPASA-N	0	0	514.648	3.062	50	0		KGAARN
CCC1=C(C(=O)OC)[C@H](c2cccc(OC)c2)N2C(CC(=O)NCCCN3CCOCC3)=CSC2=N1	ZINC000102551470	554962248	/nfs/dbraw/zinc/96/22/48/554962248.db2.gz	BQCTUCKKIOQZAW-DEOSSOPVSA-N	0	0	514.648	3.062	50	0		KGAARN
CCC1=C(C(=O)OC)[C@@H](c2cccc(OC)c2)N2C(CC(=O)NCCCN3CCOCC3)=CSC2=N1	ZINC000102551473	554962267	/nfs/dbraw/zinc/96/22/67/554962267.db2.gz	BQCTUCKKIOQZAW-XMMPIXPASA-N	0	0	514.648	3.062	50	0		KGAARN
CCN1CCN(C(=O)c2cnc(-c3cc(OC)c(OC)c(OC)c3)nc2N2CCN(c3ccccc3OC)CC2)CC1	ZINC000102559122	554966511	/nfs/dbraw/zinc/96/65/11/554966511.db2.gz	AGSARSZLPWNMNZ-UHFFFAOYSA-N	0	0	576.698	3.282	50	0		KGAARN
COc1ccccc1N1CCN(Cc2cc(=O)[nH]c(N3CCN(C(=O)Nc4cccc(C(F)(F)F)c4)CC3)n2)CC1	ZINC000102569810	554970181	/nfs/dbraw/zinc/97/01/81/554970181.db2.gz	TYXFUQBQTOHHHG-UHFFFAOYSA-N	0	0	571.604	3.474	50	0		KGAARN
COc1ccccc1N1CCN(Cc2cc(=O)[nH]c(N3CCN(C(=O)Nc4ccc(Cl)cc4)CC3)n2)CC1	ZINC000102569830	554970267	/nfs/dbraw/zinc/97/02/67/554970267.db2.gz	VMWZJILBFICBRO-UHFFFAOYSA-N	0	0	538.052	3.108	50	0		KGAARN
CCN(CC)S(=O)(=O)c1cc(NC(=O)COC(=O)c2ccccc2I)ccc1C	ZINC000102573772	554971263	/nfs/dbraw/zinc/97/12/63/554971263.db2.gz	IUQNXQWBYNPKEP-UHFFFAOYSA-N	0	0	530.384	3.426	50	0		KGAARN
O=C(N[C@@H](NC(=S)Nc1ccccc1I)C(Cl)(Cl)Cl)N1CCOCC1	ZINC000102580610	554972258	/nfs/dbraw/zinc/97/22/58/554972258.db2.gz	PXXWQVZHRHBKIO-LLVKDONJSA-N	0	0	537.638	3.316	50	0		KGAARN
O=C(N[C@H](NC(=S)Nc1ccccc1I)C(Cl)(Cl)Cl)N1CCOCC1	ZINC000102580614	554972266	/nfs/dbraw/zinc/97/22/66/554972266.db2.gz	PXXWQVZHRHBKIO-NSHDSACASA-N	0	0	537.638	3.316	50	0		KGAARN
O=C(N[C@@H](NC(=S)Nc1ccc(I)cc1)C(Cl)(Cl)Cl)N1CCOCC1	ZINC000102580627	554972199	/nfs/dbraw/zinc/97/21/99/554972199.db2.gz	PKIZCSBDBSWLAB-LLVKDONJSA-N	0	0	537.638	3.316	50	0		KGAARN
O=C(N[C@H](NC(=S)Nc1ccc(I)cc1)C(Cl)(Cl)Cl)N1CCOCC1	ZINC000102580631	554972201	/nfs/dbraw/zinc/97/22/01/554972201.db2.gz	PKIZCSBDBSWLAB-NSHDSACASA-N	0	0	537.638	3.316	50	0		KGAARN
COc1ccc(C(=O)N(CCN2CCOCC2)C[C@@H]2CN(C(=O)Nc3cccc(Cl)c3)CCO2)cc1OC	ZINC000102599448	554977515	/nfs/dbraw/zinc/97/75/15/554977515.db2.gz	PSUINWFGNKBAOO-HSZRJFAPSA-N	0	0	547.052	3.065	50	0		KGAARN
COc1ccc(C(=O)N(CCN2CCOCC2)C[C@H]2CN(C(=O)Nc3cccc(Cl)c3)CCO2)cc1OC	ZINC000102599450	554977669	/nfs/dbraw/zinc/97/76/69/554977669.db2.gz	PSUINWFGNKBAOO-QHCPKHFHSA-N	0	0	547.052	3.065	50	0		KGAARN
COCCNC(=O)c1ccc(Cn2c(SCC(=O)NCCc3ccccc3)nc3ccccc3c2=O)cc1	ZINC000102611259	554981217	/nfs/dbraw/zinc/98/12/17/554981217.db2.gz	OYZCDRWTBKSWHF-UHFFFAOYSA-N	0	0	530.650	3.272	50	0		KGAARN
COCCNC(=O)c1ccc(Cn2c(=O)c3ccccc3nc2SCC(=O)NCc2ccc(F)cc2)cc1	ZINC000102611362	554981483	/nfs/dbraw/zinc/98/14/83/554981483.db2.gz	PVXBEGLYTIZGAE-UHFFFAOYSA-N	0	0	534.613	3.369	50	0		KGAARN
COCCNC(=O)c1ccc(Cn2c(SCC(=O)NCc3ccc(OC)cc3)nc3ccccc3c2=O)cc1	ZINC000102611365	554981455	/nfs/dbraw/zinc/98/14/55/554981455.db2.gz	KBLRLZUIMXGNBZ-UHFFFAOYSA-N	0	0	546.649	3.238	50	0		KGAARN
COCCNC(=O)c1ccc(Cn2c(SCC(=O)NCc3cccc(OC)c3)nc3ccccc3c2=O)cc1	ZINC000102611368	554981511	/nfs/dbraw/zinc/98/15/11/554981511.db2.gz	RARLZIKFMLVTJX-UHFFFAOYSA-N	0	0	546.649	3.238	50	0		KGAARN
Cc1noc(/C=C/c2ccc(C)cc2)c1S(=O)(=O)N1CCC(C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1	ZINC000102612798	554981984	/nfs/dbraw/zinc/98/19/84/554981984.db2.gz	IELUUPYOQIQJIL-KPKJPENVSA-N	0	0	544.655	3.149	50	0		KGAARN
Cc1noc(/C=C/c2ccc(C)cc2)c1S(=O)(=O)N1CCC(C(=O)N2CCN(C(=O)c3ccco3)CC2)CC1	ZINC000102612907	554982280	/nfs/dbraw/zinc/98/22/80/554982280.db2.gz	CSOMCLPSZCRTAY-MDZDMXLPSA-N	0	0	552.653	3.440	50	0		KGAARN
CCOC(=O)C1CCN(C(=O)C2CCN(S(=O)(=O)c3c(C)noc3/C=C/c3ccccc3F)CC2)CC1	ZINC000102613198	554982586	/nfs/dbraw/zinc/98/25/86/554982586.db2.gz	KRLUZDOJIAAVCO-CMDGGOBGSA-N	0	0	533.622	3.495	50	0		KGAARN
Cc1noc(/C=C/c2ccccc2F)c1S(=O)(=O)N1CCC(C(=O)N2CCN(c3ccccn3)CC2)CC1	ZINC000102613320	554982880	/nfs/dbraw/zinc/98/28/80/554982880.db2.gz	RUGQYTUCUXBHKW-MDZDMXLPSA-N	0	0	539.633	3.437	50	0		KGAARN
Cc1noc(/C=C/c2ccccc2F)c1S(=O)(=O)N1CCC(C(=O)N2CCN(C(=O)c3ccco3)CC2)CC1	ZINC000102613392	554982846	/nfs/dbraw/zinc/98/28/46/554982846.db2.gz	WPNFPCOSDODQGL-CMDGGOBGSA-N	0	0	556.616	3.271	50	0		KGAARN
Cc1noc(/C=C/c2ccc(F)cc2F)c1S(=O)(=O)N1CCC(C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1	ZINC000102613923	554983540	/nfs/dbraw/zinc/98/35/40/554983540.db2.gz	RNYGPZDUVCWGGS-YCRREMRBSA-N	0	0	566.608	3.118	50	0		KGAARN
Cc1noc(/C=C/c2ccc(F)cc2F)c1S(=O)(=O)N1CCC(C(=O)N2CCN(C(=O)c3ccco3)CC2)CC1	ZINC000102614127	554983789	/nfs/dbraw/zinc/98/37/89/554983789.db2.gz	VZHKYBVEZGVEGV-FNORWQNLSA-N	0	0	574.606	3.410	50	0		KGAARN
CN(C)c1nc(N2CCN(c3ccc(F)cc3)CC2)nc2c1CN(S(=O)(=O)c1ccc(Cl)cc1)CC2	ZINC000102614366	554984037	/nfs/dbraw/zinc/98/40/37/554984037.db2.gz	LVCCZHXULVVZGT-UHFFFAOYSA-N	0	0	531.057	3.409	50	0		KGAARN
CN(C)c1nc(N2CCN(c3ccc(F)cc3)CC2)nc2c1CN(S(=O)(=O)c1cccc(Cl)c1)CC2	ZINC000102614946	554984254	/nfs/dbraw/zinc/98/42/54/554984254.db2.gz	XUWMXCTXUPYOPN-UHFFFAOYSA-N	0	0	531.057	3.409	50	0		KGAARN
NS(=O)(=O)c1ccc(-c2ccc(/C=C(\C(=O)NCc3cccnc3)S(=O)(=O)c3ccccc3)o2)cc1	ZINC000102616819	554984498	/nfs/dbraw/zinc/98/44/98/554984498.db2.gz	TUWZUSQSHGHOII-BUVRLJJBSA-N	0	0	523.592	3.120	50	0		KGAARN
COc1cc(C2=NN(C(C)=O)[C@@H](CN(C(C)=O)c3ccc(I)cc3C)O2)ccc1OC(C)=O	ZINC000102618991	554985763	/nfs/dbraw/zinc/98/57/63/554985763.db2.gz	KFLXDKGJLXJHOI-JOCHJYFZSA-N	0	0	565.364	3.453	50	0		KGAARN
COc1cc(C2=NN(C(C)=O)[C@H](CN(C(C)=O)c3ccc(I)cc3C)O2)ccc1OC(C)=O	ZINC000102618995	554985839	/nfs/dbraw/zinc/98/58/39/554985839.db2.gz	KFLXDKGJLXJHOI-QFIPXVFZSA-N	0	0	565.364	3.453	50	0		KGAARN
COc1cc(C2=NN(C(C)=O)[C@H](CN(C(C)=O)c3ccc(I)cc3)O2)ccc1OC(C)=O	ZINC000102619047	554985749	/nfs/dbraw/zinc/98/57/49/554985749.db2.gz	ZRSVFRISGQYGPJ-NRFANRHFSA-N	0	0	551.337	3.145	50	0		KGAARN
COc1cc(C2=NN(C(C)=O)[C@@H](CN(C(C)=O)c3ccc(I)cc3)O2)ccc1OC(C)=O	ZINC000102619051	554985820	/nfs/dbraw/zinc/98/58/20/554985820.db2.gz	ZRSVFRISGQYGPJ-OAQYLSRUSA-N	0	0	551.337	3.145	50	0		KGAARN
COc1ccc(C2=NN(C(C)=O)[C@H](CN(C(C)=O)c3ccc(I)cc3)O2)cc1OC	ZINC000102619055	554985742	/nfs/dbraw/zinc/98/57/42/554985742.db2.gz	PTNNJUFQJFKJST-FQEVSTJZSA-N	0	0	523.327	3.228	50	0		KGAARN
COc1ccc(C2=NN(C(C)=O)[C@@H](CN(C(C)=O)c3ccc(I)cc3)O2)cc1OC	ZINC000102619058	554985756	/nfs/dbraw/zinc/98/57/56/554985756.db2.gz	PTNNJUFQJFKJST-HXUWFJFHSA-N	0	0	523.327	3.228	50	0		KGAARN
O=S(=O)(c1ccc(OC[C@H](O)CN2CCCC2)c(Cl)c1)c1ccc(OC[C@H](O)CN2CCCC2)c(Cl)c1	ZINC000102629576	554989072	/nfs/dbraw/zinc/98/90/72/554989072.db2.gz	OBMPSPOYMXVKIW-WOJBJXKFSA-N	0	0	573.539	3.497	50	0		KGAARN
O=S(=O)(c1ccc(OC[C@@H](O)CN2CCCC2)c(Cl)c1)c1ccc(OC[C@@H](O)CN2CCCC2)c(Cl)c1	ZINC000102629582	554988952	/nfs/dbraw/zinc/98/89/52/554988952.db2.gz	OBMPSPOYMXVKIW-PMACEKPBSA-N	0	0	573.539	3.497	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(OC)c(OC)c(OC)c3)c(=O)n2[C@@H]1c1ccc(Cl)cc1	ZINC000102630909	554989316	/nfs/dbraw/zinc/98/93/16/554989316.db2.gz	BITXMSRNTSMCMZ-WVWKGNOCSA-N	0	0	529.014	3.478	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(OC)c(OC)c(OC)c3)c(=O)n2[C@H]1c1ccc(Cl)cc1	ZINC000102630913	554989367	/nfs/dbraw/zinc/98/93/67/554989367.db2.gz	BITXMSRNTSMCMZ-IMEWXKHHSA-N	0	0	529.014	3.478	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCCCC4)o3)c(=O)n2[C@@H]1c1cc(OC)c(OC)c(OC)c1	ZINC000102631227	554989660	/nfs/dbraw/zinc/98/96/60/554989660.db2.gz	KQBZBOOFJFXKJC-UQTDQPHJSA-N	0	0	567.664	3.407	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCCCC4)o3)c(=O)n2[C@H]1c1cc(OC)c(OC)c(OC)c1	ZINC000102631233	554989572	/nfs/dbraw/zinc/98/95/72/554989572.db2.gz	KQBZBOOFJFXKJC-YHHBSCGTSA-N	0	0	567.664	3.407	50	0		KGAARN
COc1ccc(-c2cnc3ncnn3c2N2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)cc1	ZINC000102631608	554989529	/nfs/dbraw/zinc/98/95/29/554989529.db2.gz	TXGDBLWPYUGZRX-UHFFFAOYSA-N	0	0	529.420	3.073	50	0		KGAARN
Cc1nc2ncnn2c(N2CCN(S(=O)(=O)c3cccc(OC(F)(F)F)c3)CC2)c1Cc1ccccc1	ZINC000102631646	554989626	/nfs/dbraw/zinc/98/96/26/554989626.db2.gz	CTHJEJGRSHQOKI-UHFFFAOYSA-N	0	0	532.548	3.433	50	0		KGAARN
COc1ccccc1-c1nnc2c3ccccc3nc(N3CCN(S(=O)(=O)c4ccccc4)CC3)n21	ZINC000102632132	554989801	/nfs/dbraw/zinc/98/98/01/554989801.db2.gz	CWQQBNFXOWMILU-UHFFFAOYSA-N	0	0	500.584	3.464	50	0		KGAARN
COc1ccc(-c2cnc3ncnn3c2N2CCCN(S(=O)(=O)c3ccc(Br)cc3)CC2)cc1	ZINC000102633366	554989784	/nfs/dbraw/zinc/98/97/84/554989784.db2.gz	ZJCUMFUNIPMDBE-UHFFFAOYSA-N	0	0	543.447	3.463	50	0		KGAARN
Cc1nc2ncnn2c(N2CCN(S(=O)(=O)c3ccccc3OC(F)(F)F)CC2)c1Cc1ccccc1	ZINC000102633651	554990217	/nfs/dbraw/zinc/99/02/17/554990217.db2.gz	FZXNYTHAGKODNV-UHFFFAOYSA-N	0	0	532.548	3.433	50	0		KGAARN
Cc1nc2ncnn2c(N2CCN(S(=O)(=O)c3ccc(OC(F)(F)F)cc3)CC2)c1Cc1ccccc1	ZINC000102633738	554990187	/nfs/dbraw/zinc/99/01/87/554990187.db2.gz	UVYOOTJSIVKZGQ-UHFFFAOYSA-N	0	0	532.548	3.433	50	0		KGAARN
Cc1c(NC(=O)CCC(=O)Nc2ccc(S(=O)(=O)[N-]c3nc(C)cc(C)n3)cc2)c(=O)n(-c2ccccc2)n1C	ZINC000102633907	554990190	/nfs/dbraw/zinc/99/01/90/554990190.db2.gz	FJZHBKFQIOUUJR-UHFFFAOYSA-N	0	0	563.640	3.049	50	0		KGAARN
CCn1c2c(C(=O)N3CCN(c4ccc(F)cc4)CC3)cnn2c(=O)c2c1CCN(Cc1ccc(OC)cc1)C2	ZINC000102634472	554990547	/nfs/dbraw/zinc/99/05/47/554990547.db2.gz	RAOSZAWVLFNNIF-UHFFFAOYSA-N	0	0	544.631	3.184	50	0		KGAARN
Cc1nn(CC(=O)N2CCc3ccccc32)c(C)c1S(=O)(=O)N1CCC(C(=O)NC2CCC(C)CC2)CC1	ZINC000102636532	554990524	/nfs/dbraw/zinc/99/05/24/554990524.db2.gz	XNIGFTYMECDZDG-UHFFFAOYSA-N	0	0	541.718	3.185	50	0		KGAARN
CCOc1ccc(N2C(=O)C[C@H](N(CCc3ccc(S(N)(=O)=O)cc3)C(=S)Nc3ccccc3)C2=O)cc1	ZINC000102643615	554991285	/nfs/dbraw/zinc/99/12/85/554991285.db2.gz	UXEYAYWIRVDUGF-DEOSSOPVSA-N	0	0	552.678	3.306	50	0		KGAARN
CCOc1ccc(N2C(=O)C[C@@H](N(CCc3ccc(S(N)(=O)=O)cc3)C(=S)Nc3ccccc3)C2=O)cc1	ZINC000102643619	554991293	/nfs/dbraw/zinc/99/12/93/554991293.db2.gz	UXEYAYWIRVDUGF-XMMPIXPASA-N	0	0	552.678	3.306	50	0		KGAARN
O=C(N[C@H]1C[C@H]2C(=O)N[C@@H](CSCc3ccccc3)C(=O)N2C1)c1cnn(-c2ccccc2)c1C(F)(F)F	ZINC000102648496	554994028	/nfs/dbraw/zinc/99/40/28/554994028.db2.gz	NZINUFWGHVLRAC-YYWHXJBOSA-N	0	0	543.571	3.022	50	0		KGAARN
COc1ccc(OCC(=O)N2CCN(Cc3cc(=O)n4nc(-c5ccccc5Cl)sc4n3)CC2)cc1	ZINC000102649301	554994735	/nfs/dbraw/zinc/99/47/35/554994735.db2.gz	OOMKIAMGQFQPGU-UHFFFAOYSA-N	0	0	526.018	3.203	50	0		KGAARN
COc1ccc(OCC(=O)N2CCN(Cc3cc(=O)n4nc(-c5cccc(Cl)c5)sc4n3)CC2)cc1	ZINC000102649336	554994818	/nfs/dbraw/zinc/99/48/18/554994818.db2.gz	BESOMUNMDHJWIQ-UHFFFAOYSA-N	0	0	526.018	3.203	50	0		KGAARN
COc1ccc(C(=O)N2CCN(Cc3cc(=O)n4nc(-c5cccc(Cl)c5)sc4n3)CC2)cc1OC	ZINC000102649342	554994801	/nfs/dbraw/zinc/99/48/01/554994801.db2.gz	YBMJWAPJTWNPIC-UHFFFAOYSA-N	0	0	526.018	3.447	50	0		KGAARN
COc1ccc(OCC(=O)N2CCN(Cc3cc(=O)n4nc(-c5ccc(Cl)cc5)sc4n3)CC2)cc1	ZINC000102649360	554994747	/nfs/dbraw/zinc/99/47/47/554994747.db2.gz	MWTVMZMUSXIAEU-UHFFFAOYSA-N	0	0	526.018	3.203	50	0		KGAARN
COc1ccc(C(=O)N2CCN(Cc3cc(=O)n4nc(-c5ccc(Cl)cc5)sc4n3)CC2)cc1OC	ZINC000102649367	554994769	/nfs/dbraw/zinc/99/47/69/554994769.db2.gz	PDNVXUAPNWEMLW-UHFFFAOYSA-N	0	0	526.018	3.447	50	0		KGAARN
O=c1cc(CN2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)nc2sc(-c3cccc(F)c3)nn21	ZINC000102649470	554994774	/nfs/dbraw/zinc/99/47/74/554994774.db2.gz	DZZLUGAULQPDMV-UHFFFAOYSA-N	0	0	520.011	3.117	50	0		KGAARN
O=c1cc(CN2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)nc2sc(-c3ccc(F)cc3)nn21	ZINC000102649509	554994741	/nfs/dbraw/zinc/99/47/41/554994741.db2.gz	OSLXOQDPUZOVQH-UHFFFAOYSA-N	0	0	520.011	3.117	50	0		KGAARN
COc1ccccc1-c1nn2c(nc(CN3CCN(C(=O)COc4ccc(Cl)cc4)CC3)cc2=O)s1	ZINC000102649525	554994743	/nfs/dbraw/zinc/99/47/43/554994743.db2.gz	NTNQONHXNZAWDD-UHFFFAOYSA-N	0	0	526.018	3.203	50	0		KGAARN
COc1cccc(-c2nn3c(nc(CN4CCN(C(=O)COc5ccccc5Cl)CC4)cc3=O)s2)c1	ZINC000102649560	554995037	/nfs/dbraw/zinc/99/50/37/554995037.db2.gz	RRFZWCZCYAYUEN-UHFFFAOYSA-N	0	0	526.018	3.203	50	0		KGAARN
COc1cccc(-c2nn3c(nc(CN4CCN(C(=O)COc5ccc(Cl)cc5)CC4)cc3=O)s2)c1	ZINC000102649565	554995051	/nfs/dbraw/zinc/99/50/51/554995051.db2.gz	GQZVUNGBNBHJKQ-UHFFFAOYSA-N	0	0	526.018	3.203	50	0		KGAARN
COc1ccc(-c2nn3c(nc(CN4CCN(C(=O)COc5ccc(Cl)cc5)CC4)cc3=O)s2)cc1	ZINC000102649602	554995156	/nfs/dbraw/zinc/99/51/56/554995156.db2.gz	UECKWGUPHOIAGM-UHFFFAOYSA-N	0	0	526.018	3.203	50	0		KGAARN
CCOC(=O)c1ccccc1NC(=O)N1CCN(Cc2cc(=O)n3nc(-c4cccs4)sc3n2)CC1	ZINC000102649952	554995260	/nfs/dbraw/zinc/99/52/60/554995260.db2.gz	RRHZLSURFUKRSK-UHFFFAOYSA-N	0	0	524.628	3.406	50	0		KGAARN
CCOC(=O)c1ccc(NC(=O)N2CCN(Cc3cc(=O)n4nc(-c5cccs5)sc4n3)CC2)cc1	ZINC000102649960	554995335	/nfs/dbraw/zinc/99/53/35/554995335.db2.gz	WMEVTGBEHLZRGB-UHFFFAOYSA-N	0	0	524.628	3.406	50	0		KGAARN
COC(=O)c1cn([C@@H]2C[C@@H](C(=O)N3CCN(c4ccc(F)cc4)CC3)N(Cc3ccc(C(C)C)cc3)C2)nn1	ZINC000102652007	1059018904	/nfs/dbraw/zinc/01/89/04/1059018904.db2.gz	HKAZVBAODLZOCM-VPUSJEBWSA-N	0	0	534.636	3.492	50	0		KGAARN
C[C@@H]1CCCCN1S(=O)(=O)c1ccc2[nH]c(=O)cc(C(=O)NCCCN3CCN(c4ccccc4F)CC3)c2c1	ZINC000102661692	555000766	/nfs/dbraw/zinc/00/07/66/555000766.db2.gz	NZFUEVQCWMHCQA-OAQYLSRUSA-N	0	0	569.703	3.172	50	0		KGAARN
C[C@H]1CCCCN1S(=O)(=O)c1ccc2[nH]c(=O)cc(C(=O)NCCCN3CCN(c4ccccc4F)CC3)c2c1	ZINC000102661697	555000721	/nfs/dbraw/zinc/00/07/21/555000721.db2.gz	NZFUEVQCWMHCQA-NRFANRHFSA-N	0	0	569.703	3.172	50	0		KGAARN
COC(=O)c1nnn([C@H]2C[C@@H](C(=O)Nc3cccc(SC)c3)N(Cc3cc4c(cc3Cl)OCO4)C2)c1C(=O)OC	ZINC000102664111	1059019073	/nfs/dbraw/zinc/01/90/73/1059019073.db2.gz	HRDMQKDYJBHFCR-LPHOPBHVSA-N	0	0	588.042	3.410	50	0		KGAARN
COC(=O)c1nnn([C@H]2C[C@@H](C(=O)Nc3cccc(SC)c3)N(Cc3cccc(OC)c3)C2)c1C(=O)OC	ZINC000102665811	1059019622	/nfs/dbraw/zinc/01/96/22/1059019622.db2.gz	IYNAZWPTQZKHDN-RXVVDRJESA-N	0	0	539.614	3.036	50	0		KGAARN
COC(=O)c1nnn([C@H]2C[C@@H](C(=O)Nc3cccc(SC)c3)N(Cc3ccc(OC)cc3)C2)c1C(=O)OC	ZINC000102667327	555001991	/nfs/dbraw/zinc/00/19/91/555001991.db2.gz	AITMADDKDFDGOK-RXVVDRJESA-N	0	0	539.614	3.036	50	0		KGAARN
COc1ccc(CCN(C)C(=O)C2CCN(c3cccc4c3C(=O)N(Cc3cn(C)nc3C)C4=O)CC2)cc1OC	ZINC000102668744	555002236	/nfs/dbraw/zinc/00/22/36/555002236.db2.gz	CUOSFBYLCVOTSK-UHFFFAOYSA-N	0	0	559.667	3.459	50	0		KGAARN
Cc1cccc(N2CCN(C(=O)CN3c4ccc(S(=O)(=O)N5CCCCC5)cc4C(C)(C)C3=O)CC2)c1C	ZINC000102669925	555002358	/nfs/dbraw/zinc/00/23/58/555002358.db2.gz	OCUZYIOYBKWDAB-UHFFFAOYSA-N	0	0	538.714	3.451	50	0		KGAARN
O=C(NCc1ccc2c(c1)OCO2)C1CCN(S(=O)(=O)c2ccc3c(c2)CCCN3C(=O)C2CCC2)CC1	ZINC000102671691	555002703	/nfs/dbraw/zinc/00/27/03/555002703.db2.gz	MMYDXBXQUACUQQ-UHFFFAOYSA-N	0	0	539.654	3.212	50	0		KGAARN
O=C(C1CCC1)N1CCCc2cc(S(=O)(=O)N3CCC(C(=O)N4CC(=O)Nc5ccccc54)CC3)ccc21	ZINC000102671753	555002694	/nfs/dbraw/zinc/00/26/94/555002694.db2.gz	ZRFXIWAQBMIPFI-UHFFFAOYSA-N	0	0	536.654	3.152	50	0		KGAARN
CC(=O)N1CCCc2cc(S(=O)(=O)N3CCC(C(=O)N4CCN(c5cccc(C)c5C)CC4)CC3)ccc21	ZINC000102671824	555002666	/nfs/dbraw/zinc/00/26/66/555002666.db2.gz	KUJUFTZDXXAKMS-UHFFFAOYSA-N	0	0	538.714	3.352	50	0		KGAARN
CC(=O)N1CCCc2cc(S(=O)(=O)N3CCC(C(=O)NCc4ccc(Br)cc4)CC3)ccc21	ZINC000102671851	555002689	/nfs/dbraw/zinc/00/26/89/555002689.db2.gz	PGTUHLIGXPTHBT-UHFFFAOYSA-N	0	0	534.476	3.465	50	0		KGAARN
Cc1ccc(S(=O)(=O)N2CCN(C(=O)CSc3nc4ccccc4c(=O)n3-c3ccccc3)CC2)cc1	ZINC000102681280	555005627	/nfs/dbraw/zinc/00/56/27/555005627.db2.gz	GAZHUXHIBSIFAD-UHFFFAOYSA-N	0	0	534.663	3.319	50	0		KGAARN
COC(=O)c1cn([C@H]2C[C@@H](C(=O)N3CCN(c4ccc(F)cc4)CC3)N(Cc3ccc(C(F)(F)F)cc3)C2)nn1	ZINC000102683954	1059019874	/nfs/dbraw/zinc/01/98/74/1059019874.db2.gz	QAQXCGQJSXRQPU-UPVQGACJSA-N	0	0	560.552	3.387	50	0		KGAARN
CC1CCN(S(=O)(=O)c2ccc3c(c2)N(CC(=O)Nc2ccc(Br)cc2F)C(=O)CO3)CC1	ZINC000102687765	555007337	/nfs/dbraw/zinc/00/73/37/555007337.db2.gz	MHLGVRVQPAJVOU-UHFFFAOYSA-N	0	0	540.411	3.373	50	0		KGAARN
CN1C(=O)N(C)[C@@]2(c3ccccc3)Nn3c(=O)/c(=C/c4ccccc4Br)sc3=N[C@]12c1ccccc1	ZINC000102689000	555007765	/nfs/dbraw/zinc/00/77/65/555007765.db2.gz	UJXGQTSCGXDWSB-KYDOHJILSA-N	0	0	560.477	3.381	50	0		KGAARN
CC1CCN(S(=O)(=O)c2ccc3c(c2)N(CC(=O)NCc2c(F)cc(F)cc2F)C(=O)CS3)CC1	ZINC000102689940	555007700	/nfs/dbraw/zinc/00/77/00/555007700.db2.gz	VNROLYUFRNVSPN-UHFFFAOYSA-N	0	0	527.590	3.280	50	0		KGAARN
CC1CCN(S(=O)(=O)c2ccc3c(c2)N(CC(=O)Nc2c(F)c(F)c(F)c(F)c2F)C(=O)CO3)CC1	ZINC000102689973	555008027	/nfs/dbraw/zinc/00/80/27/555008027.db2.gz	FDZIXVRVGIMYSK-UHFFFAOYSA-N	0	0	533.475	3.167	50	0		KGAARN
COC(=O)c1nnn([C@H]2C[C@@H](C(=O)Nc3cccc(SC)c3)N(Cc3ccc(OC)c(C)c3)C2)c1C(=O)OC	ZINC000102690023	1059019756	/nfs/dbraw/zinc/01/97/56/1059019756.db2.gz	HBCQMFFWHKLJDJ-FPOVZHCZSA-N	0	0	553.641	3.345	50	0		KGAARN
CC1CCN(S(=O)(=O)c2ccc3nc(-c4cccnc4)cc(C(=O)NCCCN4CCCC4=O)c3c2)CC1	ZINC000102690154	555007949	/nfs/dbraw/zinc/00/79/49/555007949.db2.gz	PZINITOQPUBIJR-UHFFFAOYSA-N	0	0	535.670	3.460	50	0		KGAARN
COc1ccc([C@@H]2CC(c3ccc(OC)cc3OC)=NN2C(=O)CN(CCN2CCOCC2)C(=O)C2CCC2)cc1	ZINC000102691381	555008164	/nfs/dbraw/zinc/00/81/64/555008164.db2.gz	JIBLWSFXZVAYGH-NDEPHWFRSA-N	0	0	564.683	3.351	50	0		KGAARN
COc1ccc([C@H]2CC(c3ccc(OC)cc3OC)=NN2C(=O)CN(CCN2CCOCC2)C(=O)C2CCC2)cc1	ZINC000102691383	555008284	/nfs/dbraw/zinc/00/82/84/555008284.db2.gz	JIBLWSFXZVAYGH-MUUNZHRXSA-N	0	0	564.683	3.351	50	0		KGAARN
COc1ccc(C2=NN(C(=O)CN(CCN3CCOCC3)C(=O)C3CCCC3)[C@H](c3ccc4c(c3)OCO4)C2)cc1	ZINC000102692296	555008877	/nfs/dbraw/zinc/00/88/77/555008877.db2.gz	WAXUNXNYLRBANV-MHZLTWQESA-N	0	0	562.667	3.453	50	0		KGAARN
COc1ccc(C2=NN(C(=O)CN(CCN3CCOCC3)C(=O)C3CCCC3)[C@@H](c3ccc4c(c3)OCO4)C2)cc1	ZINC000102692300	555008936	/nfs/dbraw/zinc/00/89/36/555008936.db2.gz	WAXUNXNYLRBANV-HHHXNRCGSA-N	0	0	562.667	3.453	50	0		KGAARN
COc1ccc(C2=NN(C(=O)CN(CCN3CCOCC3)C(=O)C(C)C)[C@H](c3ccc(OC)c(OC)c3)C2)cc1	ZINC000102692689	555008908	/nfs/dbraw/zinc/00/89/08/555008908.db2.gz	PTVYYRMTUYZSJJ-SANMLTNESA-N	0	0	552.672	3.207	50	0		KGAARN
COc1ccc(C2=NN(C(=O)CN(CCN3CCOCC3)C(=O)C(C)C)[C@@H](c3ccc(OC)c(OC)c3)C2)cc1	ZINC000102692691	555008857	/nfs/dbraw/zinc/00/88/57/555008857.db2.gz	PTVYYRMTUYZSJJ-AREMUKBSSA-N	0	0	552.672	3.207	50	0		KGAARN
COc1ccc(C2=NN(C(=O)CN(CCN3CCOCC3)C(=O)C3CCC3)[C@H](c3ccc(OC)c(OC)c3)C2)cc1	ZINC000102692707	555008940	/nfs/dbraw/zinc/00/89/40/555008940.db2.gz	BEMKMKYBCHHOPH-MHZLTWQESA-N	0	0	564.683	3.351	50	0		KGAARN
COc1ccc(C2=NN(C(=O)CN(CCN3CCOCC3)C(=O)C3CCC3)[C@@H](c3ccc(OC)c(OC)c3)C2)cc1	ZINC000102692708	555008926	/nfs/dbraw/zinc/00/89/26/555008926.db2.gz	BEMKMKYBCHHOPH-HHHXNRCGSA-N	0	0	564.683	3.351	50	0		KGAARN
COc1ccc(C(=O)N(CCN2CCOCC2)CC(=O)N(Cc2ccc(C)o2)Cc2ccc3c(c2)OCO3)c(OC)c1	ZINC000102694729	555009683	/nfs/dbraw/zinc/00/96/83/555009683.db2.gz	FRDVLCAOHMPETH-UHFFFAOYSA-N	0	0	579.650	3.337	50	0		KGAARN
Cc1nn(CC(=O)N2CCc3ccccc32)c(C)c1S(=O)(=O)N1CCC(C(=O)N2CCc3ccccc32)CC1	ZINC000102696817	555011291	/nfs/dbraw/zinc/01/12/91/555011291.db2.gz	CPHQZLBSWZFMPO-UHFFFAOYSA-N	0	0	547.681	3.079	50	0		KGAARN
Cc1nn(CC(=O)N2CCc3ccccc32)c(C)c1S(=O)(=O)N1CCC(C(=O)Nc2ccccc2C)CC1	ZINC000102696819	555011332	/nfs/dbraw/zinc/01/13/32/555011332.db2.gz	KWRMCSGTZGLQSH-UHFFFAOYSA-N	0	0	535.670	3.437	50	0		KGAARN
Cc1nn(CC(=O)N2CCc3ccccc32)c(C)c1S(=O)(=O)N1CCC(C(=O)N(C)C2CCCCC2)CC1	ZINC000102696823	555011381	/nfs/dbraw/zinc/01/13/81/555011381.db2.gz	NRQJLIQQEQHZMK-UHFFFAOYSA-N	0	0	541.718	3.281	50	0		KGAARN
Cc1nn(CC(=O)N2CCc3ccccc32)c(C)c1S(=O)(=O)N1CCC(C(=O)Nc2ccc(C)cc2)CC1	ZINC000102696840	555011335	/nfs/dbraw/zinc/01/13/35/555011335.db2.gz	ROVBMFPCQYUBHJ-UHFFFAOYSA-N	0	0	535.670	3.437	50	0		KGAARN
Cc1nn(CC(=O)N2CCc3ccccc32)c(C)c1S(=O)(=O)N1CCC(C(=O)Nc2cccc(C)c2)CC1	ZINC000102696843	555011341	/nfs/dbraw/zinc/01/13/41/555011341.db2.gz	YOTSGPNFEHTRMP-UHFFFAOYSA-N	0	0	535.670	3.437	50	0		KGAARN
Cc1nn(CC(=O)N2CCc3ccccc32)c(C)c1S(=O)(=O)N1CCC[C@H](C(=O)NC2CCCCCC2)C1	ZINC000102696971	555011641	/nfs/dbraw/zinc/01/16/41/555011641.db2.gz	KACKEUJKJYVYLO-QHCPKHFHSA-N	0	0	541.718	3.329	50	0		KGAARN
Cc1nn(CC(=O)N2CCc3ccccc32)c(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)NC2CCCCCC2)C1	ZINC000102696975	555011596	/nfs/dbraw/zinc/01/15/96/555011596.db2.gz	KACKEUJKJYVYLO-HSZRJFAPSA-N	0	0	541.718	3.329	50	0		KGAARN
Cc1nn(CC(=O)N2CCc3ccccc32)c(C)c1S(=O)(=O)N1CCC[C@H](C(=O)Nc2cccc(F)c2)C1	ZINC000102696993	555011626	/nfs/dbraw/zinc/01/16/26/555011626.db2.gz	QFHTZMRORUYLBJ-NRFANRHFSA-N	0	0	539.633	3.268	50	0		KGAARN
Cc1nn(CC(=O)N2CCc3ccccc32)c(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)Nc2cccc(F)c2)C1	ZINC000102696995	555011620	/nfs/dbraw/zinc/01/16/20/555011620.db2.gz	QFHTZMRORUYLBJ-OAQYLSRUSA-N	0	0	539.633	3.268	50	0		KGAARN
Cc1nn(CC(=O)N2CCc3ccccc32)c(C)c1S(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc(F)cc2)C1	ZINC000102696999	555011611	/nfs/dbraw/zinc/01/16/11/555011611.db2.gz	JPGUFRDACWFKQR-NRFANRHFSA-N	0	0	539.633	3.268	50	0		KGAARN
Cc1nn(CC(=O)N2CCc3ccccc32)c(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc(F)cc2)C1	ZINC000102697005	555011622	/nfs/dbraw/zinc/01/16/22/555011622.db2.gz	JPGUFRDACWFKQR-OAQYLSRUSA-N	0	0	539.633	3.268	50	0		KGAARN
Cc1nn(CC(=O)N2CCc3ccccc32)c(C)c1S(=O)(=O)N1CCC[C@H](C(=O)N2CCc3ccccc32)C1	ZINC000102697014	555011589	/nfs/dbraw/zinc/01/15/89/555011589.db2.gz	CGNYYEBMOIJUMW-DEOSSOPVSA-N	0	0	547.681	3.079	50	0		KGAARN
Cc1nn(CC(=O)N2CCc3ccccc32)c(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)N2CCc3ccccc32)C1	ZINC000102697017	555011634	/nfs/dbraw/zinc/01/16/34/555011634.db2.gz	CGNYYEBMOIJUMW-XMMPIXPASA-N	0	0	547.681	3.079	50	0		KGAARN
Cc1nn(CC(=O)N2CCc3ccccc32)c(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccccc2C)C1	ZINC000102697029	555011607	/nfs/dbraw/zinc/01/16/07/555011607.db2.gz	YWHPQPSHEFALNK-HSZRJFAPSA-N	0	0	535.670	3.437	50	0		KGAARN
Cc1nn(CC(=O)N2CCc3ccccc32)c(C)c1S(=O)(=O)N1CCC[C@H](C(=O)Nc2ccccc2C)C1	ZINC000102697030	555011609	/nfs/dbraw/zinc/01/16/09/555011609.db2.gz	YWHPQPSHEFALNK-QHCPKHFHSA-N	0	0	535.670	3.437	50	0		KGAARN
Cc1nn(CC(=O)N2CCc3ccccc32)c(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc(C)cc2)C1	ZINC000102697085	555011975	/nfs/dbraw/zinc/01/19/75/555011975.db2.gz	JOOJLJGWXDXLBU-HSZRJFAPSA-N	0	0	535.670	3.437	50	0		KGAARN
Cc1nn(CC(=O)N2CCc3ccccc32)c(C)c1S(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc(C)cc2)C1	ZINC000102697087	555011945	/nfs/dbraw/zinc/01/19/45/555011945.db2.gz	JOOJLJGWXDXLBU-QHCPKHFHSA-N	0	0	535.670	3.437	50	0		KGAARN
COC(=O)c1nnn([C@H]2C[C@@H](C(=O)Nc3cccc(SC)c3)N(Cc3ccc(F)cc3)C2)c1C(=O)OC	ZINC000102701695	1059019710	/nfs/dbraw/zinc/01/97/10/1059019710.db2.gz	CKUQGANOTUJIIP-ICSRJNTNSA-N	0	0	527.578	3.167	50	0		KGAARN
COc1ccc2c(c1OC)C(=O)O[C@@H]2[C@H]1c2c(c(I)c3c(c2OC)OCO3)CCN1C	ZINC000102703364	555013617	/nfs/dbraw/zinc/01/36/17/555013617.db2.gz	QCBUYILSXGYXBE-SJORKVTESA-N	0	0	539.322	3.486	50	0		KGAARN
CC1(C)C[C@H](N2C(=O)c3cccc(N4CCC[C@H](C(=O)N5CCN(C(=O)c6ccco6)CC5)C4)c3C2=O)CCO1	ZINC000102703897	555013655	/nfs/dbraw/zinc/01/36/55/555013655.db2.gz	QKZCJYYBGZNECO-LEWJYISDSA-N	0	0	548.640	3.034	50	0		KGAARN
CC1(C)C[C@@H](N2C(=O)c3cccc(N4CCC[C@H](C(=O)N5CCN(C(=O)c6ccco6)CC5)C4)c3C2=O)CCO1	ZINC000102703900	555013592	/nfs/dbraw/zinc/01/35/92/555013592.db2.gz	QKZCJYYBGZNECO-SFTDATJTSA-N	0	0	548.640	3.034	50	0		KGAARN
COC(=O)c1nnn([C@H]2C[C@@H](C(=O)NCc3ccccn3)N(Cc3cccc(-c4ccccc4C)c3)C2)c1C(=O)OC	ZINC000102703937	1059019560	/nfs/dbraw/zinc/01/95/60/1059019560.db2.gz	KZBOAVLPMCLHOC-AHWVRZQESA-N	0	0	568.634	3.354	50	0		KGAARN
COCCn1c(CN(CCN2CCOCC2)C(=O)c2ccc(OC)cc2)cnc1S(=O)(=O)Cc1ccccc1Cl	ZINC000102704051	555013664	/nfs/dbraw/zinc/01/36/64/555013664.db2.gz	JKOIVSCRNJQVEA-UHFFFAOYSA-N	0	0	591.130	3.140	50	0		KGAARN
COc1ccc(C(=O)N(CCN2CCOCC2)Cc2cnc(S(=O)(=O)Cc3ccccc3F)n2C[C@@H]2CCCO2)cc1	ZINC000102704180	555013662	/nfs/dbraw/zinc/01/36/62/555013662.db2.gz	YVPTZPGNIJKDDF-MHZLTWQESA-N	0	0	600.713	3.158	50	0		KGAARN
COc1ccc(C(=O)N(CCN2CCOCC2)Cc2cnc(S(=O)(=O)Cc3ccccc3F)n2C[C@H]2CCCO2)cc1	ZINC000102704182	555013585	/nfs/dbraw/zinc/01/35/85/555013585.db2.gz	YVPTZPGNIJKDDF-HHHXNRCGSA-N	0	0	600.713	3.158	50	0		KGAARN
O=C(C1CCN(c2cccc3c2C(=O)N(Cc2ccc4c(c2)OCO4)C3=O)CC1)N(CCO)Cc1ccccc1	ZINC000102704406	555014012	/nfs/dbraw/zinc/01/40/12/555014012.db2.gz	HOMVTVHPVWXEDE-UHFFFAOYSA-N	0	0	541.604	3.449	50	0		KGAARN
Cc1ccc(S(=O)(=O)N(c2ccc(S(=O)(=O)NC3=NCCC3)cc2)S(=O)(=O)c2ccc(C)cc2)cc1	ZINC000102704669	555013975	/nfs/dbraw/zinc/01/39/75/555013975.db2.gz	IIXDAZYTRDVGGH-UHFFFAOYSA-N	0	0	547.680	3.358	50	0		KGAARN
COC(=O)c1cn([C@H]2C[C@@H](C(=O)NCc3cccc(C(F)(F)F)c3)N(Cc3ccc(OC)cc3OC)C2)nn1	ZINC000102704827	555013883	/nfs/dbraw/zinc/01/38/83/555013883.db2.gz	SPIIUZGYJNYSHT-UGKGYDQZSA-N	0	0	547.534	3.233	50	0		KGAARN
COC(=O)c1ccc(CO[C@@H](CN2CCN(S(=O)(=O)c3c(C)nn(C)c3Cl)CC2)c2cccc(OC)c2)cc1	ZINC000102705322	555014408	/nfs/dbraw/zinc/01/44/08/555014408.db2.gz	MVKXLEHICDDVNL-DEOSSOPVSA-N	0	0	577.103	3.442	50	0		KGAARN
COC(=O)c1ccc(CO[C@H](CN2CCN(S(=O)(=O)c3c(C)nn(C)c3Cl)CC2)c2cccc(OC)c2)cc1	ZINC000102705323	555014364	/nfs/dbraw/zinc/01/43/64/555014364.db2.gz	MVKXLEHICDDVNL-XMMPIXPASA-N	0	0	577.103	3.442	50	0		KGAARN
COCCn1c(CN(CCN2CCOCC2)C(=O)c2cccc(Cl)c2)cnc1S(=O)(=O)Cc1cccc(OC)c1	ZINC000102705658	555014317	/nfs/dbraw/zinc/01/43/17/555014317.db2.gz	DJOWVCRNRHCPEE-UHFFFAOYSA-N	0	0	591.130	3.140	50	0		KGAARN
O=C(c1ccco1)N1CCN(C(=O)C2CCN(c3cccc4c3C(=O)N(CCc3ccc(F)cc3)C4=O)CC2)CC1	ZINC000102705767	555014562	/nfs/dbraw/zinc/01/45/62/555014562.db2.gz	UZMMVSRRGQRLFI-UHFFFAOYSA-N	0	0	558.610	3.458	50	0		KGAARN
CCOC(=O)c1ccc(CSc2nc3cc(S(=O)(=O)N4CCOCC4)ccc3n2CCCN2CCOCC2)cc1	ZINC000102705962	555014523	/nfs/dbraw/zinc/01/45/23/555014523.db2.gz	MTHIPRWAMWYMNV-UHFFFAOYSA-N	0	0	588.752	3.249	50	0		KGAARN
COc1ccc2cc(CN(CCCN3CCCC3=O)C(=O)Cc3csc(C)n3)c(N3CCOCC3)nc2c1	ZINC000102706467	1059019821	/nfs/dbraw/zinc/01/98/21/1059019821.db2.gz	AYTJNMWSBOYRQS-UHFFFAOYSA-N	0	0	537.686	3.429	50	0		KGAARN
COC(=O)c1ccc(NC(=O)CSc2nc3ccc(Nc4nc(N5CCOCC5)nc(N5CCOCC5)n4)cc3s2)cc1	ZINC000102707664	555015673	/nfs/dbraw/zinc/01/56/73/555015673.db2.gz	LGGCQWPXTURWDG-UHFFFAOYSA-N	0	0	622.733	3.416	50	0		KGAARN
O=C(N[C@@H]1CCS(=O)(=O)C1)[C@H]1CCCN(c2cccc3c2C(=O)N(Cc2cccc(C(F)(F)F)c2)C3=O)C1	ZINC000102710629	555016474	/nfs/dbraw/zinc/01/64/74/555016474.db2.gz	DLIZNSNORJVSTA-PKOBYXMFSA-N	0	0	549.571	3.021	50	0		KGAARN
O=C(N[C@@H]1CCS(=O)(=O)C1)[C@@H]1CCCN(c2cccc3c2C(=O)N(Cc2cccc(C(F)(F)F)c2)C3=O)C1	ZINC000102710634	555016477	/nfs/dbraw/zinc/01/64/77/555016477.db2.gz	DLIZNSNORJVSTA-IEBWSBKVSA-N	0	0	549.571	3.021	50	0		KGAARN
O=C(N[C@@H]1CCS(=O)(=O)C1)C1CCN(c2cccc3c2C(=O)N(Cc2cccc(C(F)(F)F)c2)C3=O)CC1	ZINC000102712077	555017074	/nfs/dbraw/zinc/01/70/74/555017074.db2.gz	MGELISIRUKGPKQ-LJQANCHMSA-N	0	0	549.571	3.021	50	0		KGAARN
O=C(N[C@H]1CCS(=O)(=O)C1)C1CCN(c2cccc3c2C(=O)N(Cc2cccc(C(F)(F)F)c2)C3=O)CC1	ZINC000102712080	555017078	/nfs/dbraw/zinc/01/70/78/555017078.db2.gz	MGELISIRUKGPKQ-IBGZPJMESA-N	0	0	549.571	3.021	50	0		KGAARN
COC(=O)c1nnn([C@H]2C[C@@H](C(=O)NCc3ccccn3)N(Cc3ccc(-c4ccccc4C)cc3)C2)c1C(=O)OC	ZINC000102712753	1059020127	/nfs/dbraw/zinc/02/01/27/1059020127.db2.gz	NXTHWIFIUXSRAP-AHWVRZQESA-N	0	0	568.634	3.354	50	0		KGAARN
COc1cccc(CCN2C(=O)c3cccc(N4CCN(C(=O)[C@@H](C)c5n[nH]c(=O)c6ccccc65)CC4)c3C2=O)c1	ZINC000102713262	555017754	/nfs/dbraw/zinc/01/77/54/555017754.db2.gz	FZZYUEFRXCQGHG-FQEVSTJZSA-N	0	0	565.630	3.223	50	0		KGAARN
COc1cccc(CCN2C(=O)c3cccc(N4CCN(C(=O)[C@H](C)c5n[nH]c(=O)c6ccccc65)CC4)c3C2=O)c1	ZINC000102713264	555017633	/nfs/dbraw/zinc/01/76/33/555017633.db2.gz	FZZYUEFRXCQGHG-HXUWFJFHSA-N	0	0	565.630	3.223	50	0		KGAARN
COc1ccc(CCNC(=O)c2cccnc2N2CCN(C(=O)COc3cccc(Cl)c3)CC2)cc1OC	ZINC000102714035	555017851	/nfs/dbraw/zinc/01/78/51/555017851.db2.gz	WUXYJWXXLWULAX-UHFFFAOYSA-N	0	0	539.032	3.452	50	0		KGAARN
CCN1C2=C(C(=O)N([C@H](C(=O)N3CCN(C(C)=O)CC3)c3ccccc3)C2)[C@H](c2ccccc2C(F)(F)F)NC1=O	ZINC000102721680	555020374	/nfs/dbraw/zinc/02/03/74/555020374.db2.gz	MTWBLJPCYDSMRK-DQEYMECFSA-N	0	0	569.584	3.320	50	0		KGAARN
CCN1C2=C(C(=O)N([C@H](C(=O)N3CCN(C(C)=O)CC3)c3ccccc3)C2)[C@@H](c2ccccc2C(F)(F)F)NC1=O	ZINC000102721682	555020362	/nfs/dbraw/zinc/02/03/62/555020362.db2.gz	MTWBLJPCYDSMRK-RPBOFIJWSA-N	0	0	569.584	3.320	50	0		KGAARN
CCN1C2=C(C(=O)N([C@@H](C(=O)N3CCN(C(C)=O)CC3)c3ccccc3)C2)[C@H](c2ccccc2C(F)(F)F)NC1=O	ZINC000102721686	555020420	/nfs/dbraw/zinc/02/04/20/555020420.db2.gz	MTWBLJPCYDSMRK-LOSJGSFVSA-N	0	0	569.584	3.320	50	0		KGAARN
CCN1C2=C(C(=O)N([C@@H](C(=O)N3CCN(C(C)=O)CC3)c3ccccc3)C2)[C@@H](c2ccccc2C(F)(F)F)NC1=O	ZINC000102721688	555020348	/nfs/dbraw/zinc/02/03/48/555020348.db2.gz	MTWBLJPCYDSMRK-JWQCQUIFSA-N	0	0	569.584	3.320	50	0		KGAARN
COc1ccc(N2C(=O)N(CC(=O)NCc3cccc(OC)c3OC)c3ccccc3S2(=O)=O)cc1OC	ZINC000102723805	555021076	/nfs/dbraw/zinc/02/10/76/555021076.db2.gz	NOAXFTUIVJYBBG-UHFFFAOYSA-N	0	0	541.582	3.173	50	0		KGAARN
O=C(CCN1CCOCC1)Nc1cc(C(=O)N2CCN(c3ccc(F)cc3)CC2)ccc1N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2	ZINC000102728411	555022786	/nfs/dbraw/zinc/02/27/86/555022786.db2.gz	NSWNFFJLYCQSPG-VPUSJEBWSA-N	0	0	628.749	3.234	50	0		KGAARN
O=C(CCN1CCOCC1)Nc1cc(C(=O)NCc2cccs2)ccc1N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2	ZINC000102728664	555022843	/nfs/dbraw/zinc/02/28/43/555022843.db2.gz	CVGHNFSKTZRAOZ-GGAORHGYSA-N	0	0	561.708	3.124	50	0		KGAARN
COc1ccccc1N1CCN(C(=O)c2ccc(N3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)c(NC(=O)CCN3CCOCC3)c2)CC1	ZINC000102728683	555022838	/nfs/dbraw/zinc/02/28/38/555022838.db2.gz	LSHPZFQRIBFZFB-IAPPQJPRSA-N	0	0	640.785	3.104	50	0		KGAARN
O=C(CN(CCN1CCOCC1)S(=O)(=O)c1ccc(Cl)cc1)N(Cc1ccco1)Cc1ccccc1	ZINC000102729094	555023075	/nfs/dbraw/zinc/02/30/75/555023075.db2.gz	CGRKEICWZQXOAX-UHFFFAOYSA-N	0	0	532.062	3.485	50	0		KGAARN
CC(=O)N1c2cc(S(=O)(=O)NCCCN3CCN(c4ccccc4F)CC3)c(Br)cc2C[C@H]1C	ZINC000102732046	555023811	/nfs/dbraw/zinc/02/38/11/555023811.db2.gz	UDUKTVPPLAATQP-QGZVFWFLSA-N	0	0	553.498	3.376	50	0		KGAARN
CC(=O)N1c2cc(S(=O)(=O)NCCCN3CCN(c4ccccc4F)CC3)c(Br)cc2C[C@@H]1C	ZINC000102732049	555023818	/nfs/dbraw/zinc/02/38/18/555023818.db2.gz	UDUKTVPPLAATQP-KRWDZBQOSA-N	0	0	553.498	3.376	50	0		KGAARN
COc1ccc(-c2csc(C3=C(N)N(CCc4ccc(S(N)(=O)=O)cc4)CC3=O)n2)cc1OC	ZINC000102732291	555024119	/nfs/dbraw/zinc/02/41/19/555024119.db2.gz	KEPOUCRGTXSLBF-UHFFFAOYSA-N	0	0	500.602	3.279	50	0		KGAARN
CC[C@H](SC1=Nc2ccccc2C2=N[C@H](CCC(=O)NCc3ccc4c(c3)OCO4)C(=O)N21)C(=O)NCCCOC	ZINC000102737860	555026986	/nfs/dbraw/zinc/02/69/86/555026986.db2.gz	JHFKRMNWPPRJBS-QPPBQGQZSA-N	0	0	579.679	3.135	50	0		KGAARN
CC[C@@H](SC1=Nc2ccccc2C2=N[C@H](CCC(=O)NCc3ccc4c(c3)OCO4)C(=O)N21)C(=O)NCCCOC	ZINC000102737863	555026894	/nfs/dbraw/zinc/02/68/94/555026894.db2.gz	JHFKRMNWPPRJBS-ZJSXRUAMSA-N	0	0	579.679	3.135	50	0		KGAARN
CC[C@H](SC1=Nc2ccccc2C2=N[C@@H](CCC(=O)NCc3ccc4c(c3)OCO4)C(=O)N21)C(=O)NCCCOC	ZINC000102737866	555026921	/nfs/dbraw/zinc/02/69/21/555026921.db2.gz	JHFKRMNWPPRJBS-URXFXBBRSA-N	0	0	579.679	3.135	50	0		KGAARN
CC[C@@H](SC1=Nc2ccccc2C2=N[C@@H](CCC(=O)NCc3ccc4c(c3)OCO4)C(=O)N21)C(=O)NCCCOC	ZINC000102737868	555026997	/nfs/dbraw/zinc/02/69/97/555026997.db2.gz	JHFKRMNWPPRJBS-XUZZJYLKSA-N	0	0	579.679	3.135	50	0		KGAARN
CC[C@H](SC1=Nc2ccccc2C2=N[C@H](CC(=O)NCc3ccccc3OC)C(=O)N21)C(=O)NCCCOC	ZINC000102739159	555027752	/nfs/dbraw/zinc/02/77/52/555027752.db2.gz	YKLXLQMMULQJNL-GGAORHGYSA-N	0	0	551.669	3.025	50	0		KGAARN
CC[C@@H](SC1=Nc2ccccc2C2=N[C@H](CC(=O)NCc3ccccc3OC)C(=O)N21)C(=O)NCCCOC	ZINC000102739161	555027580	/nfs/dbraw/zinc/02/75/80/555027580.db2.gz	YKLXLQMMULQJNL-FYYLOGMGSA-N	0	0	551.669	3.025	50	0		KGAARN
CC[C@H](SC1=Nc2ccccc2C2=N[C@@H](CC(=O)NCc3ccccc3OC)C(=O)N21)C(=O)NCCCOC	ZINC000102739164	555027573	/nfs/dbraw/zinc/02/75/73/555027573.db2.gz	YKLXLQMMULQJNL-GMAHTHKFSA-N	0	0	551.669	3.025	50	0		KGAARN
CC[C@@H](SC1=Nc2ccccc2C2=N[C@@H](CC(=O)NCc3ccccc3OC)C(=O)N21)C(=O)NCCCOC	ZINC000102739165	555027725	/nfs/dbraw/zinc/02/77/25/555027725.db2.gz	YKLXLQMMULQJNL-JTHBVZDNSA-N	0	0	551.669	3.025	50	0		KGAARN
CC[C@H](SC1=Nc2ccccc2C2=N[C@H](CCC(=O)NCc3ccc(OC)cc3)C(=O)N21)C(=O)NCCCOC	ZINC000102739372	555027967	/nfs/dbraw/zinc/02/79/67/555027967.db2.gz	NYLUGSIKWHGOBU-RPWUZVMVSA-N	0	0	565.696	3.415	50	0		KGAARN
CC[C@@H](SC1=Nc2ccccc2C2=N[C@H](CCC(=O)NCc3ccc(OC)cc3)C(=O)N21)C(=O)NCCCOC	ZINC000102739378	555028006	/nfs/dbraw/zinc/02/80/06/555028006.db2.gz	NYLUGSIKWHGOBU-DNQXCXABSA-N	0	0	565.696	3.415	50	0		KGAARN
CC[C@H](SC1=Nc2ccccc2C2=N[C@@H](CCC(=O)NCc3ccc(OC)cc3)C(=O)N21)C(=O)NCCCOC	ZINC000102739382	555027973	/nfs/dbraw/zinc/02/79/73/555027973.db2.gz	NYLUGSIKWHGOBU-ZEQRLZLVSA-N	0	0	565.696	3.415	50	0		KGAARN
CC[C@@H](SC1=Nc2ccccc2C2=N[C@@H](CCC(=O)NCc3ccc(OC)cc3)C(=O)N21)C(=O)NCCCOC	ZINC000102739387	555028017	/nfs/dbraw/zinc/02/80/17/555028017.db2.gz	NYLUGSIKWHGOBU-BJKOFHAPSA-N	0	0	565.696	3.415	50	0		KGAARN
O=C(CSC1=Nc2ccccc2C2=N[C@H](CC(=O)NCc3ccc4c(c3)OCO4)C(=O)N21)NC1CCCCC1	ZINC000102739624	555028135	/nfs/dbraw/zinc/02/81/35/555028135.db2.gz	JJOPWCFYYLNLFO-OAQYLSRUSA-N	0	0	547.637	3.262	50	0		KGAARN
O=C(CSC1=Nc2ccccc2C2=N[C@@H](CC(=O)NCc3ccc4c(c3)OCO4)C(=O)N21)NC1CCCCC1	ZINC000102739626	555028098	/nfs/dbraw/zinc/02/80/98/555028098.db2.gz	JJOPWCFYYLNLFO-NRFANRHFSA-N	0	0	547.637	3.262	50	0		KGAARN
COc1ccc(CCNC(=O)CSC2=Nc3ccccc3C3=N[C@H](CC(=O)NCc4ccco4)C(=O)N32)cc1OC	ZINC000102739752	555028412	/nfs/dbraw/zinc/02/84/12/555028412.db2.gz	WUKDYMATQPEBJN-JOCHJYFZSA-N	0	0	575.647	3.054	50	0		KGAARN
COc1ccc(CCNC(=O)CSC2=Nc3ccccc3C3=N[C@@H](CC(=O)NCc4ccco4)C(=O)N32)cc1OC	ZINC000102739754	555028621	/nfs/dbraw/zinc/02/86/21/555028621.db2.gz	WUKDYMATQPEBJN-QFIPXVFZSA-N	0	0	575.647	3.054	50	0		KGAARN
O=C(CSC1=Nc2ccccc2C2=N[C@H](CC(=O)NCCc3ccccc3)C(=O)N21)NCCc1ccccc1	ZINC000102739927	555028914	/nfs/dbraw/zinc/02/89/14/555028914.db2.gz	XWKOIGDXEQDHEJ-RUZDIDTESA-N	0	0	539.661	3.486	50	0		KGAARN
O=C(CSC1=Nc2ccccc2C2=N[C@@H](CC(=O)NCCc3ccccc3)C(=O)N21)NCCc1ccccc1	ZINC000102739931	555028933	/nfs/dbraw/zinc/02/89/33/555028933.db2.gz	XWKOIGDXEQDHEJ-VWLOTQADSA-N	0	0	539.661	3.486	50	0		KGAARN
CC[C@H](SC1=Nc2ccccc2C2=N[C@H](CCC(=O)NCCc3ccccc3)C(=O)N21)C(=O)NCCCOC	ZINC000102740315	555029386	/nfs/dbraw/zinc/02/93/86/555029386.db2.gz	OXNZILJLZAQGJG-RPWUZVMVSA-N	0	0	549.697	3.449	50	0		KGAARN
CC[C@@H](SC1=Nc2ccccc2C2=N[C@H](CCC(=O)NCCc3ccccc3)C(=O)N21)C(=O)NCCCOC	ZINC000102740317	555029381	/nfs/dbraw/zinc/02/93/81/555029381.db2.gz	OXNZILJLZAQGJG-DNQXCXABSA-N	0	0	549.697	3.449	50	0		KGAARN
CC[C@H](SC1=Nc2ccccc2C2=N[C@@H](CCC(=O)NCCc3ccccc3)C(=O)N21)C(=O)NCCCOC	ZINC000102740319	555029318	/nfs/dbraw/zinc/02/93/18/555029318.db2.gz	OXNZILJLZAQGJG-ZEQRLZLVSA-N	0	0	549.697	3.449	50	0		KGAARN
CC[C@@H](SC1=Nc2ccccc2C2=N[C@@H](CCC(=O)NCCc3ccccc3)C(=O)N21)C(=O)NCCCOC	ZINC000102740321	555029337	/nfs/dbraw/zinc/02/93/37/555029337.db2.gz	OXNZILJLZAQGJG-BJKOFHAPSA-N	0	0	549.697	3.449	50	0		KGAARN
COC(=O)c1ccc2c(c1)[nH]c(=O)n(CCCCCC(=O)N1CCN(c3cccc(C(F)(F)F)c3)CC1)c2=O	ZINC000102740518	555029585	/nfs/dbraw/zinc/02/95/85/555029585.db2.gz	LHTACRDSYJQKDR-UHFFFAOYSA-N	0	0	546.546	3.404	50	0		KGAARN
CC[C@H](SC1=Nc2ccccc2C2=N[C@H](CC(=O)NCc3ccc(F)cc3)C(=O)N21)C(=O)NCCCOC	ZINC000102740642	555029535	/nfs/dbraw/zinc/02/95/35/555029535.db2.gz	CYKCBHDDUUBCFM-YADHBBJMSA-N	0	0	539.633	3.155	50	0		KGAARN
CC[C@@H](SC1=Nc2ccccc2C2=N[C@H](CC(=O)NCc3ccc(F)cc3)C(=O)N21)C(=O)NCCCOC	ZINC000102740645	555029613	/nfs/dbraw/zinc/02/96/13/555029613.db2.gz	CYKCBHDDUUBCFM-FGZHOGPDSA-N	0	0	539.633	3.155	50	0		KGAARN
CC[C@H](SC1=Nc2ccccc2C2=N[C@@H](CC(=O)NCc3ccc(F)cc3)C(=O)N21)C(=O)NCCCOC	ZINC000102740647	555029636	/nfs/dbraw/zinc/02/96/36/555029636.db2.gz	CYKCBHDDUUBCFM-VXKWHMMOSA-N	0	0	539.633	3.155	50	0		KGAARN
CC[C@@H](SC1=Nc2ccccc2C2=N[C@@H](CC(=O)NCc3ccc(F)cc3)C(=O)N21)C(=O)NCCCOC	ZINC000102740650	555029572	/nfs/dbraw/zinc/02/95/72/555029572.db2.gz	CYKCBHDDUUBCFM-FCHUYYIVSA-N	0	0	539.633	3.155	50	0		KGAARN
COc1ccccc1CNC(=O)CC[C@H]1N=C2c3ccccc3N=C(SCC(=O)NCc3ccco3)N2C1=O	ZINC000102740724	555029752	/nfs/dbraw/zinc/02/97/52/555029752.db2.gz	UNRDWUKANHJSNM-JOCHJYFZSA-N	0	0	545.621	3.393	50	0		KGAARN
COc1ccccc1CNC(=O)CC[C@@H]1N=C2c3ccccc3N=C(SCC(=O)NCc3ccco3)N2C1=O	ZINC000102740728	555029836	/nfs/dbraw/zinc/02/98/36/555029836.db2.gz	UNRDWUKANHJSNM-QFIPXVFZSA-N	0	0	545.621	3.393	50	0		KGAARN
O=C(CCCn1c(=O)c2sccc2nc1SCC(=O)NCc1ccco1)NCc1ccc2c(c1)OCO2	ZINC000102740807	555029848	/nfs/dbraw/zinc/02/98/48/555029848.db2.gz	IQSHORUMBUWQNZ-UHFFFAOYSA-N	0	0	540.623	3.285	50	0		KGAARN
CC[C@H](SC1=Nc2ccccc2C2=N[C@H](CCC(=O)NCc3ccccc3OC)C(=O)N21)C(=O)NCCCOC	ZINC000102740847	555029755	/nfs/dbraw/zinc/02/97/55/555029755.db2.gz	YSFOTUONILGPPR-VWNXMTODSA-N	0	0	565.696	3.415	50	0		KGAARN
CC[C@@H](SC1=Nc2ccccc2C2=N[C@H](CCC(=O)NCc3ccccc3OC)C(=O)N21)C(=O)NCCCOC	ZINC000102740849	555029798	/nfs/dbraw/zinc/02/97/98/555029798.db2.gz	YSFOTUONILGPPR-ISKFKSNPSA-N	0	0	565.696	3.415	50	0		KGAARN
CC[C@H](SC1=Nc2ccccc2C2=N[C@@H](CCC(=O)NCc3ccccc3OC)C(=O)N21)C(=O)NCCCOC	ZINC000102740852	555029850	/nfs/dbraw/zinc/02/98/50/555029850.db2.gz	YSFOTUONILGPPR-UPVQGACJSA-N	0	0	565.696	3.415	50	0		KGAARN
CC[C@@H](SC1=Nc2ccccc2C2=N[C@@H](CCC(=O)NCc3ccccc3OC)C(=O)N21)C(=O)NCCCOC	ZINC000102740855	555029829	/nfs/dbraw/zinc/02/98/29/555029829.db2.gz	YSFOTUONILGPPR-LADGPHEKSA-N	0	0	565.696	3.415	50	0		KGAARN
CC[C@H](SC1=Nc2ccccc2C2=N[C@H](CC(=O)NCc3ccc(OC)cc3)C(=O)N21)C(=O)NCCCOC	ZINC000102741173	555030004	/nfs/dbraw/zinc/03/00/04/555030004.db2.gz	BINSITJXKUDMBI-PKTZIBPZSA-N	0	0	551.669	3.025	50	0		KGAARN
CC[C@@H](SC1=Nc2ccccc2C2=N[C@H](CC(=O)NCc3ccc(OC)cc3)C(=O)N21)C(=O)NCCCOC	ZINC000102741175	555030028	/nfs/dbraw/zinc/03/00/28/555030028.db2.gz	BINSITJXKUDMBI-DHIUTWEWSA-N	0	0	551.669	3.025	50	0		KGAARN
CC[C@H](SC1=Nc2ccccc2C2=N[C@@H](CC(=O)NCc3ccc(OC)cc3)C(=O)N21)C(=O)NCCCOC	ZINC000102741177	555029993	/nfs/dbraw/zinc/02/99/93/555029993.db2.gz	BINSITJXKUDMBI-GOTSBHOMSA-N	0	0	551.669	3.025	50	0		KGAARN
CC[C@@H](SC1=Nc2ccccc2C2=N[C@@H](CC(=O)NCc3ccc(OC)cc3)C(=O)N21)C(=O)NCCCOC	ZINC000102741180	555030249	/nfs/dbraw/zinc/03/02/49/555030249.db2.gz	BINSITJXKUDMBI-XZOQPEGZSA-N	0	0	551.669	3.025	50	0		KGAARN
COc1ccc(CNC(=O)CC[C@H]2N=C3c4ccccc4N=C(SCC(=O)NCc4ccco4)N3C2=O)cc1	ZINC000102741195	555030301	/nfs/dbraw/zinc/03/03/01/555030301.db2.gz	MMRIYQFATYJJOT-HSZRJFAPSA-N	0	0	545.621	3.393	50	0		KGAARN
COc1ccc(CNC(=O)CC[C@@H]2N=C3c4ccccc4N=C(SCC(=O)NCc4ccco4)N3C2=O)cc1	ZINC000102741197	555030222	/nfs/dbraw/zinc/03/02/22/555030222.db2.gz	MMRIYQFATYJJOT-QHCPKHFHSA-N	0	0	545.621	3.393	50	0		KGAARN
COCCOC(=O)C1=C(C)N=C2SC=C(CC(=O)N3CCCC3)N2[C@H]1c1ccc(OC)c(OC)c1	ZINC000102743413	555033827	/nfs/dbraw/zinc/03/38/27/555033827.db2.gz	LSMCMZIQZCMDMH-QHCPKHFHSA-N	0	0	501.605	3.481	50	0		KGAARN
COCCOC(=O)C1=C(C)N=C2SC=C(CC(=O)N3CCCC3)N2[C@@H]1c1ccc(OC)c(OC)c1	ZINC000102743416	555033840	/nfs/dbraw/zinc/03/38/40/555033840.db2.gz	LSMCMZIQZCMDMH-HSZRJFAPSA-N	0	0	501.605	3.481	50	0		KGAARN
COCCOC(=O)C1=C(C)N=C2SC=C(CC(=O)N3CCCC3)N2[C@H]1c1ccc(OC)cc1OC	ZINC000102743438	555033888	/nfs/dbraw/zinc/03/38/88/555033888.db2.gz	KPMOEKACCDLSLM-QHCPKHFHSA-N	0	0	501.605	3.481	50	0		KGAARN
COCCOC(=O)C1=C(C)N=C2SC=C(CC(=O)N3CCCC3)N2[C@@H]1c1ccc(OC)cc1OC	ZINC000102743440	555033910	/nfs/dbraw/zinc/03/39/10/555033910.db2.gz	KPMOEKACCDLSLM-HSZRJFAPSA-N	0	0	501.605	3.481	50	0		KGAARN
COC(=O)C1=C(C)N=C2SC=C(CC(=O)N3CCN(C(=O)c4ccco4)CC3)N2[C@H]1c1ccccc1	ZINC000102743490	555034243	/nfs/dbraw/zinc/03/42/43/555034243.db2.gz	KHMIDZQZJXJEOU-QHCPKHFHSA-N	0	0	506.584	3.402	50	0		KGAARN
COC(=O)C1=C(C)N=C2SC=C(CC(=O)N3CCN(C(=O)c4ccco4)CC3)N2[C@@H]1c1ccccc1	ZINC000102743493	555034158	/nfs/dbraw/zinc/03/41/58/555034158.db2.gz	KHMIDZQZJXJEOU-HSZRJFAPSA-N	0	0	506.584	3.402	50	0		KGAARN
COCCN1CCN(C(=O)CC2=CSC3=NC(C)=C(C(=O)OC)[C@H](c4cccc(Cl)c4)N23)CC1	ZINC000102743588	555034357	/nfs/dbraw/zinc/03/43/57/555034357.db2.gz	YJLNCHSSGHKNNI-QFIPXVFZSA-N	0	0	505.040	3.269	50	0		KGAARN
COCCN1CCN(C(=O)CC2=CSC3=NC(C)=C(C(=O)OC)[C@@H](c4cccc(Cl)c4)N23)CC1	ZINC000102743591	555034323	/nfs/dbraw/zinc/03/43/23/555034323.db2.gz	YJLNCHSSGHKNNI-JOCHJYFZSA-N	0	0	505.040	3.269	50	0		KGAARN
COCCN1CCN(C(=O)CC2=CSC3=NC(C)=C(C(=O)OC)[C@H](c4ccc(Cl)cc4)N23)CC1	ZINC000102743604	555034376	/nfs/dbraw/zinc/03/43/76/555034376.db2.gz	QQCDZEZGHGSCLE-QFIPXVFZSA-N	0	0	505.040	3.269	50	0		KGAARN
COCCN1CCN(C(=O)CC2=CSC3=NC(C)=C(C(=O)OC)[C@@H](c4ccc(Cl)cc4)N23)CC1	ZINC000102743609	555034345	/nfs/dbraw/zinc/03/43/45/555034345.db2.gz	QQCDZEZGHGSCLE-JOCHJYFZSA-N	0	0	505.040	3.269	50	0		KGAARN
CCOC(=O)C1=C(C)N=C2SC=C(CC(=O)N3CCN(CCOC)CC3)N2[C@@H]1c1cccc(OC)c1	ZINC000102743623	555034309	/nfs/dbraw/zinc/03/43/09/555034309.db2.gz	ZMHUMIWXLZYMPM-XMMPIXPASA-N	0	0	514.648	3.014	50	0		KGAARN
CCOC(=O)C1=C(C)N=C2SC=C(CC(=O)N3CCN(CCOC)CC3)N2[C@H]1c1cccc(OC)c1	ZINC000102743625	555034330	/nfs/dbraw/zinc/03/43/30/555034330.db2.gz	ZMHUMIWXLZYMPM-DEOSSOPVSA-N	0	0	514.648	3.014	50	0		KGAARN
CCOC(=O)C1=C(C)N=C2SC=C(CC(=O)N3CCN(CCOC)CC3)N2[C@@H]1c1ccccc1F	ZINC000102743628	555034467	/nfs/dbraw/zinc/03/44/67/555034467.db2.gz	XFIWJHOOSATGAP-HSZRJFAPSA-N	0	0	502.612	3.144	50	0		KGAARN
CCOC(=O)C1=C(C)N=C2SC=C(CC(=O)N3CCN(CCOC)CC3)N2[C@H]1c1ccccc1F	ZINC000102743630	555034480	/nfs/dbraw/zinc/03/44/80/555034480.db2.gz	XFIWJHOOSATGAP-QHCPKHFHSA-N	0	0	502.612	3.144	50	0		KGAARN
CCN(CC)C(=O)C1=C(C)N=C2SC=C(CC(=O)N3CCOCC3)N2[C@@H]1c1cc(OC)ccc1OC	ZINC000102743715	555034633	/nfs/dbraw/zinc/03/46/33/555034633.db2.gz	MTIULIZKBIWDMH-XMMPIXPASA-N	0	0	514.648	3.396	50	0		KGAARN
CCN(CC)C(=O)C1=C(C)N=C2SC=C(CC(=O)N3CCOCC3)N2[C@H]1c1cc(OC)ccc1OC	ZINC000102743719	555034743	/nfs/dbraw/zinc/03/47/43/555034743.db2.gz	MTIULIZKBIWDMH-DEOSSOPVSA-N	0	0	514.648	3.396	50	0		KGAARN
O=C(c1ccc(NC2=N[C@H]3CS(=O)(=O)C[C@@H]3S2)cc1)N1CCN(c2cccc(C(F)(F)F)c2)CC1	ZINC000102743728	555034754	/nfs/dbraw/zinc/03/47/54/555034754.db2.gz	IAXKNRXBQYOFNS-PMACEKPBSA-N	0	0	524.590	3.348	50	0		KGAARN
O=C(c1ccc(NC2=N[C@H]3CS(=O)(=O)C[C@H]3S2)cc1)N1CCN(c2cccc(C(F)(F)F)c2)CC1	ZINC000102743731	555034689	/nfs/dbraw/zinc/03/46/89/555034689.db2.gz	IAXKNRXBQYOFNS-VQTJNVASSA-N	0	0	524.590	3.348	50	0		KGAARN
COc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=C3SC=C(CC(=O)N4CCOCC4)N32)cc1OC	ZINC000102743797	555034986	/nfs/dbraw/zinc/03/49/86/555034986.db2.gz	UNGUMCOKCRCTAS-QHCPKHFHSA-N	0	0	501.605	3.479	50	0		KGAARN
COc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=C3SC=C(CC(=O)N4CCOCC4)N32)cc1OC	ZINC000102743800	555034951	/nfs/dbraw/zinc/03/49/51/555034951.db2.gz	UNGUMCOKCRCTAS-HSZRJFAPSA-N	0	0	501.605	3.479	50	0		KGAARN
COc1cc(OC)cc([C@H]2C(C(=O)OC(C)C)=C(C)N=C3SC=C(CC(=O)N4CCOCC4)N32)c1	ZINC000102743808	555034948	/nfs/dbraw/zinc/03/49/48/555034948.db2.gz	WCMGBSQULNRCFU-QHCPKHFHSA-N	0	0	501.605	3.479	50	0		KGAARN
COc1cc(OC)cc([C@@H]2C(C(=O)OC(C)C)=C(C)N=C3SC=C(CC(=O)N4CCOCC4)N32)c1	ZINC000102743811	555034990	/nfs/dbraw/zinc/03/49/90/555034990.db2.gz	WCMGBSQULNRCFU-HSZRJFAPSA-N	0	0	501.605	3.479	50	0		KGAARN
COc1ccc(OC)c([C@H]2C(C(=O)OC(C)C)=C(C)N=C3SC=C(CC(=O)N4CCOCC4)N32)c1	ZINC000102743821	555034956	/nfs/dbraw/zinc/03/49/56/555034956.db2.gz	GUMJERZUMYSOBT-QHCPKHFHSA-N	0	0	501.605	3.479	50	0		KGAARN
COc1ccc(OC)c([C@@H]2C(C(=O)OC(C)C)=C(C)N=C3SC=C(CC(=O)N4CCOCC4)N32)c1	ZINC000102743822	555035046	/nfs/dbraw/zinc/03/50/46/555035046.db2.gz	GUMJERZUMYSOBT-HSZRJFAPSA-N	0	0	501.605	3.479	50	0		KGAARN
COc1cccc([C@H]2C(C(=O)OC(C)C)=C(C)N=C3SC=C(CC(=O)N4CCOCC4)N32)c1OC	ZINC000102743848	555035019	/nfs/dbraw/zinc/03/50/19/555035019.db2.gz	LGXVSELCYDPGEK-QFIPXVFZSA-N	0	0	501.605	3.479	50	0		KGAARN
COc1cccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=C3SC=C(CC(=O)N4CCOCC4)N32)c1OC	ZINC000102743850	555034977	/nfs/dbraw/zinc/03/49/77/555034977.db2.gz	LGXVSELCYDPGEK-JOCHJYFZSA-N	0	0	501.605	3.479	50	0		KGAARN
COCCOC(=O)C1=C(C)N=C2SC=C(CC(=O)NCC3CC3)N2[C@H]1c1ccc(OC)cc1OC	ZINC000102745999	555038138	/nfs/dbraw/zinc/03/81/38/555038138.db2.gz	BTNQSLFHAGWQLR-QHCPKHFHSA-N	0	0	501.605	3.385	50	0		KGAARN
COCCOC(=O)C1=C(C)N=C2SC=C(CC(=O)NCC3CC3)N2[C@@H]1c1ccc(OC)cc1OC	ZINC000102746001	555038132	/nfs/dbraw/zinc/03/81/32/555038132.db2.gz	BTNQSLFHAGWQLR-HSZRJFAPSA-N	0	0	501.605	3.385	50	0		KGAARN
COCCOC(=O)C1=C(C)N=C2SC=C(CC(=O)NCC3CC3)N2[C@H]1c1cccc(OC)c1OC	ZINC000102746003	555038170	/nfs/dbraw/zinc/03/81/70/555038170.db2.gz	MEGBAXSZWFNVRI-QFIPXVFZSA-N	0	0	501.605	3.385	50	0		KGAARN
COCCOC(=O)C1=C(C)N=C2SC=C(CC(=O)NCC3CC3)N2[C@@H]1c1cccc(OC)c1OC	ZINC000102746004	555038150	/nfs/dbraw/zinc/03/81/50/555038150.db2.gz	MEGBAXSZWFNVRI-JOCHJYFZSA-N	0	0	501.605	3.385	50	0		KGAARN
COc1ccc(CCNC(=O)CSC2=Nc3ccccc3C3=N[C@H](CCC(=O)NCc4ccco4)C(=O)N32)cc1OC	ZINC000102746455	555038830	/nfs/dbraw/zinc/03/88/30/555038830.db2.gz	FTNJXEWIBUGYCJ-HSZRJFAPSA-N	0	0	589.674	3.444	50	0		KGAARN
COc1ccc(CCNC(=O)CSC2=Nc3ccccc3C3=N[C@@H](CCC(=O)NCc4ccco4)C(=O)N32)cc1OC	ZINC000102746459	555038865	/nfs/dbraw/zinc/03/88/65/555038865.db2.gz	FTNJXEWIBUGYCJ-QHCPKHFHSA-N	0	0	589.674	3.444	50	0		KGAARN
COCCOC(=O)C1=C(C)N=C2SC=C(CC(=O)NC[C@@H]3CCCO3)N2[C@H]1c1ccc(OC)c(OC)c1	ZINC000102746546	555039149	/nfs/dbraw/zinc/03/91/49/555039149.db2.gz	ZIJSXZHMUUVMQA-CYFREDJKSA-N	0	0	531.631	3.154	50	0		KGAARN
COCCOC(=O)C1=C(C)N=C2SC=C(CC(=O)NC[C@@H]3CCCO3)N2[C@@H]1c1ccc(OC)c(OC)c1	ZINC000102746549	555039050	/nfs/dbraw/zinc/03/90/50/555039050.db2.gz	ZIJSXZHMUUVMQA-YADARESESA-N	0	0	531.631	3.154	50	0		KGAARN
COCCOC(=O)C1=C(C)N=C2SC=C(CC(=O)NC[C@H]3CCCO3)N2[C@H]1c1ccc(OC)c(OC)c1	ZINC000102746551	555039114	/nfs/dbraw/zinc/03/91/14/555039114.db2.gz	ZIJSXZHMUUVMQA-DVECYGJZSA-N	0	0	531.631	3.154	50	0		KGAARN
COCCOC(=O)C1=C(C)N=C2SC=C(CC(=O)NC[C@H]3CCCO3)N2[C@@H]1c1ccc(OC)c(OC)c1	ZINC000102746554	555039070	/nfs/dbraw/zinc/03/90/70/555039070.db2.gz	ZIJSXZHMUUVMQA-NTKDMRAZSA-N	0	0	531.631	3.154	50	0		KGAARN
COCCOC(=O)C1=C(C)N=C2SC=C(CC(=O)NC[C@@H]3CCCO3)N2[C@H]1c1ccc(OC)cc1OC	ZINC000102746569	555039123	/nfs/dbraw/zinc/03/91/23/555039123.db2.gz	FPAAKDBMOSZGMM-CYFREDJKSA-N	0	0	531.631	3.154	50	0		KGAARN
COCCOC(=O)C1=C(C)N=C2SC=C(CC(=O)NC[C@@H]3CCCO3)N2[C@@H]1c1ccc(OC)cc1OC	ZINC000102746572	555039143	/nfs/dbraw/zinc/03/91/43/555039143.db2.gz	FPAAKDBMOSZGMM-YADARESESA-N	0	0	531.631	3.154	50	0		KGAARN
COCCOC(=O)C1=C(C)N=C2SC=C(CC(=O)NC[C@H]3CCCO3)N2[C@H]1c1ccc(OC)cc1OC	ZINC000102746575	555039086	/nfs/dbraw/zinc/03/90/86/555039086.db2.gz	FPAAKDBMOSZGMM-DVECYGJZSA-N	0	0	531.631	3.154	50	0		KGAARN
COCCOC(=O)C1=C(C)N=C2SC=C(CC(=O)NC[C@H]3CCCO3)N2[C@@H]1c1ccc(OC)cc1OC	ZINC000102746577	555039065	/nfs/dbraw/zinc/03/90/65/555039065.db2.gz	FPAAKDBMOSZGMM-NTKDMRAZSA-N	0	0	531.631	3.154	50	0		KGAARN
COCCOC(=O)C1=C(C)N=C2SC=C(CC(=O)NC[C@@H]3CCCO3)N2[C@H]1c1cccc(OC)c1OC	ZINC000102746589	555039081	/nfs/dbraw/zinc/03/90/81/555039081.db2.gz	WUOKFEJQKHWIGD-MBSDFSHPSA-N	0	0	531.631	3.154	50	0		KGAARN
COCCOC(=O)C1=C(C)N=C2SC=C(CC(=O)NC[C@@H]3CCCO3)N2[C@@H]1c1cccc(OC)c1OC	ZINC000102746591	555039092	/nfs/dbraw/zinc/03/90/92/555039092.db2.gz	WUOKFEJQKHWIGD-FDDCHVKYSA-N	0	0	531.631	3.154	50	0		KGAARN
COCCOC(=O)C1=C(C)N=C2SC=C(CC(=O)NC[C@H]3CCCO3)N2[C@H]1c1cccc(OC)c1OC	ZINC000102746594	555039083	/nfs/dbraw/zinc/03/90/83/555039083.db2.gz	WUOKFEJQKHWIGD-JPYJTQIMSA-N	0	0	531.631	3.154	50	0		KGAARN
COCCOC(=O)C1=C(C)N=C2SC=C(CC(=O)NC[C@H]3CCCO3)N2[C@@H]1c1cccc(OC)c1OC	ZINC000102746595	555039145	/nfs/dbraw/zinc/03/91/45/555039145.db2.gz	WUOKFEJQKHWIGD-WZONZLPQSA-N	0	0	531.631	3.154	50	0		KGAARN
COC(=O)c1ccc2c(c1)nc(SCC(=O)N1CCN(c3ccccc3OC)CC1)n(Cc1ccc3c(c1)OCO3)c2=O	ZINC000102746714	555039625	/nfs/dbraw/zinc/03/96/25/555039625.db2.gz	VWXRXQAQOMAMEI-UHFFFAOYSA-N	0	0	602.669	3.410	50	0		KGAARN
COC(=O)C1=C(C)N=C2SC=C(CC(=O)NCCCN3CCOCC3)N2[C@H]1c1ccc(Cl)cc1	ZINC000102746718	555039666	/nfs/dbraw/zinc/03/96/66/555039666.db2.gz	ILZJSCDIWVYIPN-QFIPXVFZSA-N	0	0	505.040	3.317	50	0		KGAARN
COC(=O)C1=C(C)N=C2SC=C(CC(=O)NCCCN3CCOCC3)N2[C@@H]1c1ccc(Cl)cc1	ZINC000102746723	555039571	/nfs/dbraw/zinc/03/95/71/555039571.db2.gz	ILZJSCDIWVYIPN-JOCHJYFZSA-N	0	0	505.040	3.317	50	0		KGAARN
CCOC(=O)C1=C(C)N=C2SC=C(CC(=O)NCCCN3CCOCC3)N2[C@@H]1c1ccccc1F	ZINC000102746741	555039633	/nfs/dbraw/zinc/03/96/33/555039633.db2.gz	PLKASDIYMGCTIG-HSZRJFAPSA-N	0	0	502.612	3.192	50	0		KGAARN
CCOC(=O)C1=C(C)N=C2SC=C(CC(=O)NCCCN3CCOCC3)N2[C@H]1c1ccccc1F	ZINC000102746744	555039677	/nfs/dbraw/zinc/03/96/77/555039677.db2.gz	PLKASDIYMGCTIG-QHCPKHFHSA-N	0	0	502.612	3.192	50	0		KGAARN
CC1=C(C(=O)OC(C)C)[C@H](c2cccc(F)c2)N2C(CC(=O)NCCN3CCOCC3)=CSC2=N1	ZINC000102746911	555039809	/nfs/dbraw/zinc/03/98/09/555039809.db2.gz	LOWDLQLRMNWQQC-QHCPKHFHSA-N	0	0	502.612	3.191	50	0		KGAARN
CC1=C(C(=O)OC(C)C)[C@@H](c2cccc(F)c2)N2C(CC(=O)NCCN3CCOCC3)=CSC2=N1	ZINC000102746913	555039802	/nfs/dbraw/zinc/03/98/02/555039802.db2.gz	LOWDLQLRMNWQQC-HSZRJFAPSA-N	0	0	502.612	3.191	50	0		KGAARN
COc1ccccc1CNC(=O)C[C@H]1N=C2c3ccccc3N=C(SCC(=O)NCCc3ccc(OC)c(OC)c3)N2C1=O	ZINC000102746926	555040127	/nfs/dbraw/zinc/04/01/27/555040127.db2.gz	DIHDBJGOBDYACB-XMMPIXPASA-N	0	0	615.712	3.470	50	0		KGAARN
COc1ccccc1CNC(=O)C[C@@H]1N=C2c3ccccc3N=C(SCC(=O)NCCc3ccc(OC)c(OC)c3)N2C1=O	ZINC000102746929	555040116	/nfs/dbraw/zinc/04/01/16/555040116.db2.gz	DIHDBJGOBDYACB-DEOSSOPVSA-N	0	0	615.712	3.470	50	0		KGAARN
CC1=C(C(=O)OC(C)C)[C@H](c2ccccc2F)N2C(CC(=O)NCCN3CCOCC3)=CSC2=N1	ZINC000102746971	555040113	/nfs/dbraw/zinc/04/01/13/555040113.db2.gz	OEZAWGWLUAHEKE-QHCPKHFHSA-N	0	0	502.612	3.191	50	0		KGAARN
CC1=C(C(=O)OC(C)C)[C@@H](c2ccccc2F)N2C(CC(=O)NCCN3CCOCC3)=CSC2=N1	ZINC000102746974	555040167	/nfs/dbraw/zinc/04/01/67/555040167.db2.gz	OEZAWGWLUAHEKE-HSZRJFAPSA-N	0	0	502.612	3.191	50	0		KGAARN
CCOC(=O)C1=C(C)N=C2SC=C(CC(=O)NCCN3CCOCC3)N2[C@@H]1c1ccc(Cl)cc1	ZINC000102747016	555040479	/nfs/dbraw/zinc/04/04/79/555040479.db2.gz	OUQCKRBFZJVZIO-JOCHJYFZSA-N	0	0	505.040	3.317	50	0		KGAARN
CCOC(=O)C1=C(C)N=C2SC=C(CC(=O)NCCN3CCOCC3)N2[C@H]1c1ccc(Cl)cc1	ZINC000102747019	555040425	/nfs/dbraw/zinc/04/04/25/555040425.db2.gz	OUQCKRBFZJVZIO-QFIPXVFZSA-N	0	0	505.040	3.317	50	0		KGAARN
COc1ccc(CCNC(=O)CSC2=Nc3ccccc3C3=N[C@H](CC(=O)NCc4ccc5c(c4)OCO5)C(=O)N32)cc1OC	ZINC000102747152	555040667	/nfs/dbraw/zinc/04/06/67/555040667.db2.gz	YGNKRISPXWCEOF-HSZRJFAPSA-N	0	0	629.695	3.190	50	0		KGAARN
COc1ccc(CCNC(=O)CSC2=Nc3ccccc3C3=N[C@@H](CC(=O)NCc4ccc5c(c4)OCO5)C(=O)N32)cc1OC	ZINC000102747156	555040661	/nfs/dbraw/zinc/04/06/61/555040661.db2.gz	YGNKRISPXWCEOF-QHCPKHFHSA-N	0	0	629.695	3.190	50	0		KGAARN
CCOC(=O)c1c2c(sc1NC(=O)CSc1nnc(CNC(=O)Cc3ccc(OC)cc3)n1C)CCC2	ZINC000102747257	555040708	/nfs/dbraw/zinc/04/07/08/555040708.db2.gz	ODTDWALHQGBTQW-UHFFFAOYSA-N	0	0	543.671	3.140	50	0		KGAARN
NS(=O)(=O)c1ccc(CCNC(=O)CCCn2c(SCC(=O)c3ccccc3)nc3ccsc3c2=O)cc1	ZINC000102750204	555043966	/nfs/dbraw/zinc/04/39/66/555043966.db2.gz	YQFMUOSBEBRMPT-UHFFFAOYSA-N	0	0	570.718	3.220	50	0		KGAARN
NS(=O)(=O)c1ccc(CCNC(=O)CCCn2c(=O)c3sccc3nc2SCC(=O)Nc2ccc(F)cc2)cc1	ZINC000102750454	555044197	/nfs/dbraw/zinc/04/41/97/555044197.db2.gz	JBWSCERRISTPHT-UHFFFAOYSA-N	0	0	603.723	3.114	50	0		KGAARN
CC[C@H](Sc1nc2ccsc2c(=O)n1NC(=O)COc1ccccc1Br)C(=O)NCCOC	ZINC000102750658	555044113	/nfs/dbraw/zinc/04/41/13/555044113.db2.gz	AJQBMXXLOFJENK-INIZCTEOSA-N	0	0	555.476	3.003	50	0		KGAARN
CC[C@@H](Sc1nc2ccsc2c(=O)n1NC(=O)COc1ccccc1Br)C(=O)NCCOC	ZINC000102750660	555044157	/nfs/dbraw/zinc/04/41/57/555044157.db2.gz	AJQBMXXLOFJENK-MRXNPFEDSA-N	0	0	555.476	3.003	50	0		KGAARN
NS(=O)(=O)c1ccc(CCNC(=O)CCCn2c(SCC(=O)OCc3ccccc3)nc3ccsc3c2=O)cc1	ZINC000102751442	555044475	/nfs/dbraw/zinc/04/44/75/555044475.db2.gz	VANZFAZQWUTYAZ-UHFFFAOYSA-N	0	0	600.744	3.080	50	0		KGAARN
CC[C@H](SC1=Nc2ccccc2C2=N[C@H](CC(=O)NCCc3ccccc3)C(=O)N21)C(=O)NCCCOC	ZINC000102752051	555044726	/nfs/dbraw/zinc/04/47/26/555044726.db2.gz	YAJRGIRGJHXNEP-PKTZIBPZSA-N	0	0	535.670	3.059	50	0		KGAARN
CC[C@@H](SC1=Nc2ccccc2C2=N[C@H](CC(=O)NCCc3ccccc3)C(=O)N21)C(=O)NCCCOC	ZINC000102752053	555044899	/nfs/dbraw/zinc/04/48/99/555044899.db2.gz	YAJRGIRGJHXNEP-DHIUTWEWSA-N	0	0	535.670	3.059	50	0		KGAARN
CC[C@H](SC1=Nc2ccccc2C2=N[C@@H](CC(=O)NCCc3ccccc3)C(=O)N21)C(=O)NCCCOC	ZINC000102752055	555044670	/nfs/dbraw/zinc/04/46/70/555044670.db2.gz	YAJRGIRGJHXNEP-GOTSBHOMSA-N	0	0	535.670	3.059	50	0		KGAARN
CC[C@@H](SC1=Nc2ccccc2C2=N[C@@H](CC(=O)NCCc3ccccc3)C(=O)N21)C(=O)NCCCOC	ZINC000102752058	555044752	/nfs/dbraw/zinc/04/47/52/555044752.db2.gz	YAJRGIRGJHXNEP-XZOQPEGZSA-N	0	0	535.670	3.059	50	0		KGAARN
CCN1CCN(S(=O)(=O)c2ccc(OC)c(N3CCN(C(=O)c4ccc(Cl)c(Cl)c4)CC3)c2)CC1	ZINC000102752766	555045143	/nfs/dbraw/zinc/04/51/43/555045143.db2.gz	NVEKAAHNIKRZGM-UHFFFAOYSA-N	0	0	541.501	3.291	50	0		KGAARN
CCN1CCN(S(=O)(=O)c2ccc(OC)c(N3CCN(C(=O)c4cc(Cl)cc(Cl)c4)CC3)c2)CC1	ZINC000102752812	555045165	/nfs/dbraw/zinc/04/51/65/555045165.db2.gz	MPJBPVULLGVXCZ-UHFFFAOYSA-N	0	0	541.501	3.291	50	0		KGAARN
CCN1CCN(S(=O)(=O)c2ccc(OC)c(N3CCN(C(=O)c4ccc(F)cc4C(F)(F)F)CC3)c2)CC1	ZINC000102752862	555045065	/nfs/dbraw/zinc/04/50/65/555045065.db2.gz	JCXCHQPHONSLRP-UHFFFAOYSA-N	0	0	558.598	3.142	50	0		KGAARN
COc1ccc(CCNC(=O)CSc2nc3ccccc3c(=O)n2CCCC(=O)N2CCCC2)cc1OC	ZINC000102753081	555045521	/nfs/dbraw/zinc/04/55/21/555045521.db2.gz	NMQXBLLYVNJBPH-UHFFFAOYSA-N	0	0	538.670	3.267	50	0		KGAARN
CCN1CCN(S(=O)(=O)c2ccc(OC)c(N3CCN(C(=O)c4cc(F)cc(C(F)(F)F)c4)CC3)c2)CC1	ZINC000102753152	555045441	/nfs/dbraw/zinc/04/54/41/555045441.db2.gz	NNMXWNSQKNTJCL-UHFFFAOYSA-N	0	0	558.598	3.142	50	0		KGAARN
O=C(CN1CN(c2ccccc2)C2(CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)C1=O)N1CCOCC1	ZINC000102753696	555045609	/nfs/dbraw/zinc/04/56/09/555045609.db2.gz	VNDSLRVLVAKIOZ-UHFFFAOYSA-N	0	0	531.440	3.133	50	0		KGAARN
CC[C@H](Sc1nc2ccccc2c(=O)n1CCC(=O)NCCc1ccc(OC)c(OC)c1)C(=O)NCCCOC	ZINC000102754661	555046721	/nfs/dbraw/zinc/04/67/21/555046721.db2.gz	UWWVDXIFDLLPAB-VWLOTQADSA-N	0	0	570.712	3.186	50	0		KGAARN
CC[C@@H](Sc1nc2ccccc2c(=O)n1CCC(=O)NCCc1ccc(OC)c(OC)c1)C(=O)NCCCOC	ZINC000102754664	555046798	/nfs/dbraw/zinc/04/67/98/555046798.db2.gz	UWWVDXIFDLLPAB-RUZDIDTESA-N	0	0	570.712	3.186	50	0		KGAARN
Cc1cc(NC(=O)CSc2nc3cc(C(=O)NCCCOC(C)C)ccc3c(=O)n2Cc2ccco2)n[nH]1	ZINC000102754709	555046685	/nfs/dbraw/zinc/04/66/85/555046685.db2.gz	LVUCCVKMDSYYGV-UHFFFAOYSA-N	0	0	538.630	3.345	50	0		KGAARN
O=C(CCn1c(=O)c2cc3c(cc2nc1SCC(=O)NC1CCCCC1)OCO3)NCc1ccc2c(c1)OCO2	ZINC000102755403	555047460	/nfs/dbraw/zinc/04/74/60/555047460.db2.gz	JYEGHNCNBVGLLL-UHFFFAOYSA-N	0	0	566.636	3.101	50	0		KGAARN
O=C(CCn1c(=O)c2cc3c(cc2nc1SCC(=O)NCCc1ccccc1)OCO3)NCc1ccc2c(c1)OCO2	ZINC000102755416	555047458	/nfs/dbraw/zinc/04/74/58/555047458.db2.gz	WXGFUNINYUBSHW-UHFFFAOYSA-N	0	0	588.642	3.011	50	0		KGAARN
COc1ccc(NC(=O)CSc2nc3cc4c(cc3c(=O)n2CCC(=O)NCc2ccc3c(c2)OCO3)OCO4)c(OC)c1	ZINC000102755426	555047403	/nfs/dbraw/zinc/04/74/03/555047403.db2.gz	IMNNEJPBTRIHBG-UHFFFAOYSA-N	0	0	620.640	3.308	50	0		KGAARN
CN(C)c1ccc(NC(=O)CSc2nc3cc4c(cc3c(=O)n2CCC(=O)NCc2ccc3c(c2)OCO3)OCO4)cc1	ZINC000102755428	555047414	/nfs/dbraw/zinc/04/74/14/555047414.db2.gz	KRBYMBLFUMQACK-UHFFFAOYSA-N	0	0	603.657	3.357	50	0		KGAARN
COc1ccc(CCNC(=O)CCn2c(=O)c3cc4c(cc3nc2SCc2cc(=O)n3ccccc3n2)OCO4)cc1OC	ZINC000102755438	555047408	/nfs/dbraw/zinc/04/74/08/555047408.db2.gz	QXVWQHXHABCDAH-UHFFFAOYSA-N	0	0	615.668	3.192	50	0		KGAARN
COc1ccc(CCNC(=O)CCn2c(=O)c3cc4c(cc3nc2SCC(=O)NC2CCCCC2)OCO4)cc1OC	ZINC000102755445	555047393	/nfs/dbraw/zinc/04/73/93/555047393.db2.gz	RLOINTVDRDVRBL-UHFFFAOYSA-N	0	0	596.706	3.432	50	0		KGAARN
COc1ccc(CCNC(=O)CCn2c(=O)c3cc4c(cc3nc2SCC(=O)NCc2ccccc2)OCO4)cc1OC	ZINC000102755451	555047444	/nfs/dbraw/zinc/04/74/44/555047444.db2.gz	IKXDGKVFELGONO-UHFFFAOYSA-N	0	0	604.685	3.300	50	0		KGAARN
O=C(CSc1nc2cc3c(cc2c(=O)n1CCC(=O)N1CCN(c2ccccc2)CC1)OCO3)NCCc1ccccc1	ZINC000102755483	555047537	/nfs/dbraw/zinc/04/75/37/555047537.db2.gz	VQXWASDSLMWALC-UHFFFAOYSA-N	0	0	599.713	3.315	50	0		KGAARN
COc1ccc(CNC(=O)CCCn2c(=O)c3cc4c(cc3nc2SCC(=O)NCc2ccco2)OCO4)cc1	ZINC000102755541	555047598	/nfs/dbraw/zinc/04/75/98/555047598.db2.gz	CRMRCSVQYYKBMC-UHFFFAOYSA-N	0	0	564.620	3.232	50	0		KGAARN
O=C(CCCn1c(=O)c2cc3c(cc2nc1SCC(=O)NC1CCCCC1)OCO3)NCc1ccc2c(c1)OCO2	ZINC000102755598	555047543	/nfs/dbraw/zinc/04/75/43/555047543.db2.gz	DYCWEGGQAPOYDP-UHFFFAOYSA-N	0	0	580.663	3.492	50	0		KGAARN
O=C(CCCn1c(=O)c2cc3c(cc2nc1SCC(=O)NCc1ccccc1)OCO3)NCc1ccc2c(c1)OCO2	ZINC000102755612	193914705	/nfs/dbraw/zinc/91/47/05/193914705.db2.gz	QAADSZIKTNGFQD-UHFFFAOYSA-N	0	0	588.642	3.359	50	0		KGAARN
O=C(CCCn1c(=O)c2cc3c(cc2nc1SCC(=O)NCCc1ccccc1)OCO3)NCc1ccc2c(c1)OCO2	ZINC000102755615	193914820	/nfs/dbraw/zinc/91/48/20/193914820.db2.gz	PQCGYPBLHMUQBH-UHFFFAOYSA-N	0	0	602.669	3.402	50	0		KGAARN
COc1ccc(CCNC(=O)CCCn2c(=O)c3cc4c(cc3nc2SCC(=O)Nc2cc(C)[nH]n2)OCO4)cc1OC	ZINC000102755665	555047814	/nfs/dbraw/zinc/04/78/14/555047814.db2.gz	SBPXCGCJWOLSNQ-UHFFFAOYSA-N	0	0	608.677	3.044	50	0		KGAARN
COc1ccc(CCNC(=O)CCCn2c(=O)c3cc4c(cc3nc2SCC(=O)NCc2ccco2)OCO4)cc1OC	ZINC000102755673	555047873	/nfs/dbraw/zinc/04/78/73/555047873.db2.gz	RTUDHLYIECCLDT-UHFFFAOYSA-N	0	0	608.673	3.283	50	0		KGAARN
Cc1cc(NC(=O)CSc2nc3cc4c(cc3c(=O)n2CCCCCC(=O)NCc2ccc3c(c2)OCO3)OCO4)n[nH]1	ZINC000102755797	555048217	/nfs/dbraw/zinc/04/82/17/555048217.db2.gz	UICQLNXUWABJST-UHFFFAOYSA-N	0	0	606.661	3.493	50	0		KGAARN
O=C(CCCCCn1c(=O)c2cc3c(cc2nc1SCC(=O)NC[C@@H]1CCCO1)OCO3)NCc1ccc2c(c1)OCO2	ZINC000102755808	555048246	/nfs/dbraw/zinc/04/82/46/555048246.db2.gz	CFLSXPLEWGFXJJ-FQEVSTJZSA-N	0	0	610.689	3.118	50	0		KGAARN
O=C(CCCCCn1c(=O)c2cc3c(cc2nc1SCC(=O)NC[C@H]1CCCO1)OCO3)NCc1ccc2c(c1)OCO2	ZINC000102755809	193915274	/nfs/dbraw/zinc/91/52/74/193915274.db2.gz	CFLSXPLEWGFXJJ-HXUWFJFHSA-N	0	0	610.689	3.118	50	0		KGAARN
COCCCNC(=O)CSc1nc2cc3c(cc2c(=O)n1Cc1ccc(C(=O)NCc2ccc4c(c2)OCO4)cc1)OCO3	ZINC000102755880	555048276	/nfs/dbraw/zinc/04/82/76/555048276.db2.gz	PJFLXQZZANIAIB-UHFFFAOYSA-N	0	0	618.668	3.077	50	0		KGAARN
COCCCNC(=O)CSc1nc2cc3c(cc2c(=O)n1Cc1ccc(C(=O)N2CCN(c4ccccc4)CC2)cc1)OCO3	ZINC000102755926	555048572	/nfs/dbraw/zinc/04/85/72/555048572.db2.gz	GJRAYMLLUOGDTJ-UHFFFAOYSA-N	0	0	629.739	3.381	50	0		KGAARN
CCN(CC)C(=O)CSc1nc2ccc(N3CCOCC3)cc2c(=O)n1CCc1ccc(OC)c(OC)c1	ZINC000102756343	193915923	/nfs/dbraw/zinc/91/59/23/193915923.db2.gz	SDHGWZVULPAJNO-UHFFFAOYSA-N	0	0	540.686	3.454	50	0		KGAARN
COc1ccc(CCn2c(=O)c3cc(N4CCOCC4)ccc3nc2SCC(=O)NCc2ccco2)cc1OC	ZINC000102756347	555049059	/nfs/dbraw/zinc/04/90/59/555049059.db2.gz	PSENSQHGPLLHTF-UHFFFAOYSA-N	0	0	564.664	3.495	50	0		KGAARN
COc1ccc(CCn2c(=O)c3cc(N4CCOCC4)ccc3nc2SCC(=O)Nc2cc(C)[nH]n2)cc1OC	ZINC000102756355	193916308	/nfs/dbraw/zinc/91/63/08/193916308.db2.gz	OGITUGPUNDTQQT-UHFFFAOYSA-N	0	0	564.668	3.255	50	0		KGAARN
O=C(CSc1nc2ccccc2c(=O)n1Cc1ccc(C(=O)NC[C@@H]2CCCO2)cc1)NCc1ccco1	ZINC000102756437	555049246	/nfs/dbraw/zinc/04/92/46/555049246.db2.gz	FEGMWECYKZJGGT-QFIPXVFZSA-N	0	0	532.622	3.355	50	0		KGAARN
O=C(CSc1nc2ccccc2c(=O)n1Cc1ccc(C(=O)NC[C@H]2CCCO2)cc1)NCc1ccco1	ZINC000102756440	555049299	/nfs/dbraw/zinc/04/92/99/555049299.db2.gz	FEGMWECYKZJGGT-JOCHJYFZSA-N	0	0	532.622	3.355	50	0		KGAARN
CCOc1cc2[n-]c(=S)n(Cc3ccc(C(=O)NCCCN4CC[NH+](C)CC4)cc3)c(=O)c2cc1OCC	ZINC000102756648	555049428	/nfs/dbraw/zinc/04/94/28/555049428.db2.gz	JJECIRUBTSMJHO-UHFFFAOYSA-N	0	0	539.702	3.272	50	0		KGAARN
CCOC(=O)CSc1nc2ccccc2c(=O)n1CCn1c(SCC(=O)OCC)nc2ccccc2c1=O	ZINC000102756663	555049705	/nfs/dbraw/zinc/04/97/05/555049705.db2.gz	NWFXAVIOSNMJEB-UHFFFAOYSA-N	0	0	554.650	3.117	50	0		KGAARN
O=C(CN1CN(c2ccccc2)C2(CCN(C(=O)NCc3ccccc3)CC2)C1=O)NCc1ccc2c(c1)OCO2	ZINC000102759211	555050939	/nfs/dbraw/zinc/05/09/39/555050939.db2.gz	NVDCLZWVGNZHTO-UHFFFAOYSA-N	0	0	555.635	3.082	50	0		KGAARN
COCCN(CC(=O)Nc1ccc(N2CCN(C(=O)Nc3cccc(C(F)(F)F)c3)CC2)cc1)C(=O)COC	ZINC000102759276	555051224	/nfs/dbraw/zinc/05/12/24/555051224.db2.gz	QUBRPGKNVPLSAF-UHFFFAOYSA-N	0	0	551.566	3.119	50	0		KGAARN
CCC1=C(C(=O)OC)[C@H](c2ccccc2Cl)N2C(CC(=O)NCCN3CCOCC3)=CSC2=N1	ZINC000102763192	555053764	/nfs/dbraw/zinc/05/37/64/555053764.db2.gz	MSXWHICORNJAEY-QFIPXVFZSA-N	0	0	505.040	3.317	50	0		KGAARN
CCC1=C(C(=O)OC)[C@@H](c2ccccc2Cl)N2C(CC(=O)NCCN3CCOCC3)=CSC2=N1	ZINC000102763194	555053794	/nfs/dbraw/zinc/05/37/94/555053794.db2.gz	MSXWHICORNJAEY-JOCHJYFZSA-N	0	0	505.040	3.317	50	0		KGAARN
CCC1=C(C(=O)OC)[C@H](c2ccc(Cl)cc2)N2C(CC(=O)NCCN3CCOCC3)=CSC2=N1	ZINC000102763290	555053768	/nfs/dbraw/zinc/05/37/68/555053768.db2.gz	UAYGEFDTASJSRY-QFIPXVFZSA-N	0	0	505.040	3.317	50	0		KGAARN
CCC1=C(C(=O)OC)[C@@H](c2ccc(Cl)cc2)N2C(CC(=O)NCCN3CCOCC3)=CSC2=N1	ZINC000102763291	555053751	/nfs/dbraw/zinc/05/37/51/555053751.db2.gz	UAYGEFDTASJSRY-JOCHJYFZSA-N	0	0	505.040	3.317	50	0		KGAARN
CCC1=C(C(=O)OC)[C@H](c2ccccc2F)N2C(CC(=O)NCCCN3CCOCC3)=CSC2=N1	ZINC000102763844	555054097	/nfs/dbraw/zinc/05/40/97/555054097.db2.gz	RTYPBIXCIMUJGA-QHCPKHFHSA-N	0	0	502.612	3.192	50	0		KGAARN
CCC1=C(C(=O)OC)[C@@H](c2ccccc2F)N2C(CC(=O)NCCCN3CCOCC3)=CSC2=N1	ZINC000102763847	555054144	/nfs/dbraw/zinc/05/41/44/555054144.db2.gz	RTYPBIXCIMUJGA-HSZRJFAPSA-N	0	0	502.612	3.192	50	0		KGAARN
CCC1=C(C(=O)OC)[C@H](c2cccc(F)c2)N2C(CC(=O)NCCCN3CCOCC3)=CSC2=N1	ZINC000102763870	555054155	/nfs/dbraw/zinc/05/41/55/555054155.db2.gz	XIASQPDLZALCNT-QHCPKHFHSA-N	0	0	502.612	3.192	50	0		KGAARN
CCC1=C(C(=O)OC)[C@@H](c2cccc(F)c2)N2C(CC(=O)NCCCN3CCOCC3)=CSC2=N1	ZINC000102763875	555054184	/nfs/dbraw/zinc/05/41/84/555054184.db2.gz	XIASQPDLZALCNT-HSZRJFAPSA-N	0	0	502.612	3.192	50	0		KGAARN
COc1ccc(/C=C2\Oc3ccccc3N(CC(=O)NCCCN3CCOCC3)C2=O)cc1Br	ZINC000102768479	555056192	/nfs/dbraw/zinc/05/61/92/555056192.db2.gz	WMDXSNPDYSLZIU-KQWNVCNZSA-N	0	0	530.419	3.063	50	0		KGAARN
COCCNC(=O)c1ccc(N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c(NC(=O)c2cc3ccccc3oc2=O)c1	ZINC000102769788	555057159	/nfs/dbraw/zinc/05/71/59/555057159.db2.gz	MTIIPVNHUYELBV-KNQAVFIVSA-N	0	0	554.603	3.207	50	0		KGAARN
FC(F)(F)c1cc(-n2ccc([C@@H]3CCCN(c4cc(C(F)(F)F)nc5ncnn54)C3)n2)n2ncnc2n1	ZINC000102770220	555057672	/nfs/dbraw/zinc/05/76/72/555057672.db2.gz	POGUWZZCCVGYNT-LLVKDONJSA-N	0	0	523.405	3.169	50	0		KGAARN
FC(F)(F)c1cc(-n2ccc([C@H]3CCCN(c4cc(C(F)(F)F)nc5ncnn54)C3)n2)n2ncnc2n1	ZINC000102770224	555057674	/nfs/dbraw/zinc/05/76/74/555057674.db2.gz	POGUWZZCCVGYNT-NSHDSACASA-N	0	0	523.405	3.169	50	0		KGAARN
O=C(NCCCN1CCOCC1)c1ccc(N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c(NC(=O)c2cc3ccccc3oc2=O)c1	ZINC000102770414	555057951	/nfs/dbraw/zinc/05/79/51/555057951.db2.gz	NWRQIMAZJCZCOK-BVAGGSTKSA-N	0	0	623.710	3.283	50	0		KGAARN
CCOC(=O)N1CCN(C(=O)c2ccc(N3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)c(NS(=O)(=O)c3ccc(F)cc3)c2)CC1	ZINC000102771678	555060616	/nfs/dbraw/zinc/06/06/16/555060616.db2.gz	SIWFJGSPJWLDFL-GGAORHGYSA-N	0	0	623.707	3.326	50	0		KGAARN
O=C(Nc1ccc(Cl)cc1)N1CCN(c2nc(CN3CCN(Cc4ccc(F)cc4)CC3)cc(=O)[nH]2)CC1	ZINC000102771725	555060624	/nfs/dbraw/zinc/06/06/24/555060624.db2.gz	BUMCOZRARGNIEO-UHFFFAOYSA-N	0	0	540.043	3.234	50	0		KGAARN
COc1ccc(OC)c(CC(=O)N2CCCN(c3c(-c4ccc(OC)c(OC)c4)cnc4ncnn43)CC2)c1	ZINC000102775501	555062757	/nfs/dbraw/zinc/06/27/57/555062757.db2.gz	RCGJRCVXUKZEJD-UHFFFAOYSA-N	0	0	532.601	3.107	50	0		KGAARN
C[C@]12C=C[C@]3(O1)[C@@H](C(=O)N(CCN1CCOCC1)[C@@H]3C(=O)NC1CCCCC1)[C@@H]2C(=O)Nc1ccc(Cl)c(Cl)c1	ZINC000102776822	555063105	/nfs/dbraw/zinc/06/31/05/555063105.db2.gz	CREOPUYNKWYDNE-VWVPHKFBSA-N	0	0	591.536	3.254	50	0	biogenic	KGAARN
C[C@]12C=C[C@]3(O1)[C@@H](C(=O)N(CCN1CCOCC1)[C@@H]3C(=O)NC1CCCCC1)[C@H]2C(=O)Nc1ccc(Cl)c(Cl)c1	ZINC000102776828	555063128	/nfs/dbraw/zinc/06/31/28/555063128.db2.gz	CREOPUYNKWYDNE-UFIMKRDISA-N	0	0	591.536	3.254	50	0	biogenic	KGAARN
Cc1ccc(NC(=O)[C@H](CCC(N)=O)NC(=O)c2ccc(Cl)cc2)cc1S(=O)(=O)N1CCCCCC1	ZINC000102777608	555063346	/nfs/dbraw/zinc/06/33/46/555063346.db2.gz	CFBBUGROLDIMHB-NRFANRHFSA-N	0	0	535.066	3.216	50	0		KGAARN
CCOC(=O)c1c(-c2ccc(OC)cc2)csc1NC(=O)COC(=O)[C@H](C)N1C(=O)[C@@H]2CC=CC[C@@H]2C1=O	ZINC000102777660	555063338	/nfs/dbraw/zinc/06/33/38/555063338.db2.gz	RZKFPNRIAHVKSG-ZYSHUDEJSA-N	0	0	540.594	3.422	50	0		KGAARN
CCOC(=O)c1c(-c2ccc(OC)cc2)csc1NC(=O)COC(=O)[C@H](C)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O	ZINC000102777662	555063640	/nfs/dbraw/zinc/06/36/40/555063640.db2.gz	RZKFPNRIAHVKSG-SNRMKQJTSA-N	0	0	540.594	3.422	50	0		KGAARN
CCOC(=O)c1c(-c2ccc(OC)cc2)csc1NC(=O)COC(=O)[C@H](C)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O	ZINC000102777664	555063677	/nfs/dbraw/zinc/06/36/77/555063677.db2.gz	RZKFPNRIAHVKSG-KFKAGJAMSA-N	0	0	540.594	3.422	50	0		KGAARN
C[C@H](NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)C(=O)OCC(=O)Nc1sc2c(c1C(N)=O)CCCC2	ZINC000102777745	555063709	/nfs/dbraw/zinc/06/37/09/555063709.db2.gz	UZZARAUNYOALPU-JTQLQIEISA-N	0	0	567.995	3.247	50	0		KGAARN
CCOC(=O)c1c(C)[nH]c(C)c1C(=O)COC(=O)[C@@H](NC(=O)c1cccc(S(=O)(=O)N(CC)CC)c1)C(C)C	ZINC000102777786	555063673	/nfs/dbraw/zinc/06/36/73/555063673.db2.gz	JQKCDCKZULIZCU-DEOSSOPVSA-N	0	0	563.673	3.019	50	0		KGAARN
COc1ccc(-c2csc(NC(=O)[C@@H](NC(=O)c3cccc(S(=O)(=O)N4CCOCC4)c3)C(C)C)n2)cc1OC	ZINC000102777858	555063814	/nfs/dbraw/zinc/06/38/14/555063814.db2.gz	JENGZHSRRVXMNT-DEOSSOPVSA-N	0	0	588.708	3.241	50	0		KGAARN
CC(=O)Nc1ccc(-c2csc(NC(=O)[C@@H](NC(=O)c3cccc(S(=O)(=O)N4CCOCC4)c3)C(C)C)n2)cc1	ZINC000102777864	555063850	/nfs/dbraw/zinc/06/38/50/555063850.db2.gz	YDNNUFIWTRBJDD-DEOSSOPVSA-N	0	0	585.708	3.183	50	0		KGAARN
CC(C)[C@H](NC(=O)c1ccccc1Cl)C(=O)OCC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1Cl	ZINC000102778014	555064115	/nfs/dbraw/zinc/06/41/15/555064115.db2.gz	VIBSYZOZUWVEAW-FQEVSTJZSA-N	0	0	530.430	3.180	50	0		KGAARN
CC(C)Oc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O	ZINC000102778217	555064386	/nfs/dbraw/zinc/06/43/86/555064386.db2.gz	SSQBWGFBHMGGIB-SANMLTNESA-N	0	0	577.659	3.341	50	0		KGAARN
CCN(CC)S(=O)(=O)c1cccc(C(=O)N[C@H](C(=O)OCc2cc(=O)oc3cc(OC)ccc23)C(C)C)c1	ZINC000102778347	555064363	/nfs/dbraw/zinc/06/43/63/555064363.db2.gz	LOUCHECQFOMJMH-VWLOTQADSA-N	0	0	544.626	3.330	50	0		KGAARN
COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)COC(=O)[C@H](CC(N)=O)NC(=O)c2ccc(Cl)cc2)cc1	ZINC000102778403	555064334	/nfs/dbraw/zinc/06/43/34/555064334.db2.gz	ZYZXCCYSWVICRA-DQEYMECFSA-N	0	0	563.010	3.244	50	0		KGAARN
COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)COC(=O)[C@H](CC(N)=O)NC(=O)c2ccc(Cl)cc2)cc1	ZINC000102778406	555064365	/nfs/dbraw/zinc/06/43/65/555064365.db2.gz	ZYZXCCYSWVICRA-LOSJGSFVSA-N	0	0	563.010	3.244	50	0		KGAARN
CC(C)[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C(=O)OCc1csc(-c2ccccc2)n1	ZINC000102778437	555064377	/nfs/dbraw/zinc/06/43/77/555064377.db2.gz	HOYKMPSBPDJNEO-QHCPKHFHSA-N	0	0	543.667	3.329	50	0		KGAARN
CCN(CC)S(=O)(=O)c1cccc(C(=O)N[C@H](C(=O)OCC(=O)Nc2ccc(OC(F)F)cc2)C(C)C)c1	ZINC000102778508	555064567	/nfs/dbraw/zinc/06/45/67/555064567.db2.gz	CEZSYPGITFISHP-QFIPXVFZSA-N	0	0	555.600	3.255	50	0		KGAARN
O=C(COC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccc2ccccc2c1)NC(c1ccccc1)c1ccccc1	ZINC000102778553	555064551	/nfs/dbraw/zinc/06/45/51/555064551.db2.gz	GRPLXMKMFLOXLW-BDYUSTAISA-N	0	0	544.629	3.413	50	0		KGAARN
O=C(COC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc2ccccc2c1)NC(c1ccccc1)c1ccccc1	ZINC000102778554	555064547	/nfs/dbraw/zinc/06/45/47/555064547.db2.gz	GRPLXMKMFLOXLW-VPUSJEBWSA-N	0	0	544.629	3.413	50	0		KGAARN
O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O	ZINC000102778561	555064572	/nfs/dbraw/zinc/06/45/72/555064572.db2.gz	PVRMXGGOSMBSPC-DEOSSOPVSA-N	0	0	554.024	3.207	50	0		KGAARN
CN(C)S(=O)(=O)c1cccc(NC(=O)COC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccc(F)cc2)c1	ZINC000102778633	555064788	/nfs/dbraw/zinc/06/47/88/555064788.db2.gz	FAZITQTYFKICRZ-VWLOTQADSA-N	0	0	566.611	3.080	50	0		KGAARN
Cc1cc(Br)c(NC(=O)COC(=O)[C@H](CC(N)=O)NC(=O)c2ccc(Cl)cc2)c(Br)c1	ZINC000102778664	555064827	/nfs/dbraw/zinc/06/48/27/555064827.db2.gz	NMEQQHXBEDNNAR-HNNXBMFYSA-N	0	0	575.641	3.329	50	0		KGAARN
Cc1ccc(C)c(N2CCN(C(=O)[C@@H](Cc3ccccc3)NS(=O)(=O)c3ccc4c(c3)CCC(=O)N4)CC2)c1	ZINC000102779166	555065156	/nfs/dbraw/zinc/06/51/56/555065156.db2.gz	BRMYCKQDMJJYDF-HHHXNRCGSA-N	0	0	546.693	3.427	50	0		KGAARN
Cc1ccc(C)c(N2CCN(C(=O)[C@H](Cc3ccccc3)NS(=O)(=O)c3ccc4c(c3)CCC(=O)N4)CC2)c1	ZINC000102779167	555065173	/nfs/dbraw/zinc/06/51/73/555065173.db2.gz	BRMYCKQDMJJYDF-MHZLTWQESA-N	0	0	546.693	3.427	50	0		KGAARN
CCCCN(CC)S(=O)(=O)c1ccc2[nH]c(=O)cc(C(=O)NCCCN3CCN(c4ccccc4F)CC3)c2c1	ZINC000102782706	555066640	/nfs/dbraw/zinc/06/66/40/555066640.db2.gz	QJXUGUYMYGSQRK-UHFFFAOYSA-N	0	0	571.719	3.420	50	0		KGAARN
CCCCN(CC)S(=O)(=O)c1ccc2[nH]c(=O)cc(C(=O)NCCN3CCN(c4ccccc4F)CC3)c2c1	ZINC000102782837	555066607	/nfs/dbraw/zinc/06/66/07/555066607.db2.gz	YTEFXHBAGWRNNX-UHFFFAOYSA-N	0	0	557.692	3.030	50	0		KGAARN
COC(=O)C1=c2s/c(=C\c3ccc(Cl)cc3Cl)c(=O)n2C(N)=C(C(N)=O)[C@@H]1c1ccc(Cl)cc1Cl	ZINC000102783518	555066605	/nfs/dbraw/zinc/06/66/05/555066605.db2.gz	WKOPIJSFVNRKCX-PJVYJYFWSA-N	0	0	571.269	3.086	50	0		KGAARN
COC(=O)C1=c2s/c(=C\c3ccc(Cl)cc3Cl)c(=O)n2C(N)=C(C(N)=O)[C@H]1c1ccc(Cl)cc1Cl	ZINC000102783520	555066644	/nfs/dbraw/zinc/06/66/44/555066644.db2.gz	WKOPIJSFVNRKCX-OBHDYHNASA-N	0	0	571.269	3.086	50	0		KGAARN
COc1ccc(S(=O)(=O)Nc2cc(C(=O)NCCc3ccc(OC)c(OC)c3)ccc2N2CCOCC2)cc1	ZINC000102784375	555067268	/nfs/dbraw/zinc/06/72/68/555067268.db2.gz	LQPWGTRVWKWKCF-UHFFFAOYSA-N	0	0	555.653	3.322	50	0	biogenic	KGAARN
CCOc1ccc(CCNC(=O)CN2C(=O)CSc3ccc(S(=O)(=O)N4CCCCC4)cc32)cc1OCC	ZINC000102787441	555068018	/nfs/dbraw/zinc/06/80/18/555068018.db2.gz	HYZSZPWKMVBGAL-UHFFFAOYSA-N	0	0	561.726	3.456	50	0		KGAARN
Cc1ccc(Cl)cc1N1CCN(C(=O)CN2C(=O)CSc3ccc(S(=O)(=O)N4CCCC4)cc32)CC1	ZINC000102788248	555068292	/nfs/dbraw/zinc/06/82/92/555068292.db2.gz	MPIDYRRLYYPVRM-UHFFFAOYSA-N	0	0	549.118	3.220	50	0		KGAARN
CCC(=O)N1CCc2cc(Br)c(S(=O)(=O)CCC(=O)N3CCN(Cc4ccccc4)CC3)cc21	ZINC000102792749	555069567	/nfs/dbraw/zinc/06/95/67/555069567.db2.gz	LJJNKMKFQOPCRY-UHFFFAOYSA-N	0	0	548.503	3.256	50	0		KGAARN
CCC(=O)N1CCc2cc(Br)c(S(=O)(=O)CCC(=O)N3CCN(c4ccc(F)cc4)CC3)cc21	ZINC000102792756	555069558	/nfs/dbraw/zinc/06/95/58/555069558.db2.gz	YBMCIYCRVAUOBH-UHFFFAOYSA-N	0	0	552.466	3.400	50	0		KGAARN
CCC(=O)N1CCc2cc(Br)c(S(=O)(=O)CCC(=O)N3CCN(c4ccccc4F)CC3)cc21	ZINC000102792774	555069564	/nfs/dbraw/zinc/06/95/64/555069564.db2.gz	CETIPJCGLLMKCL-UHFFFAOYSA-N	0	0	552.466	3.400	50	0		KGAARN
CCC(=O)N1CCc2cc(Br)c(S(=O)(=O)CCC(=O)N3CCN(c4ccccc4OC)CC3)cc21	ZINC000102792776	555069585	/nfs/dbraw/zinc/06/95/85/555069585.db2.gz	MXHMLOVPWQRULA-UHFFFAOYSA-N	0	0	564.502	3.269	50	0		KGAARN
CCC(=O)N1CCc2cc(Br)c(S(=O)(=O)CCC(=O)NCCc3ccc(OC)c(OC)c3)cc21	ZINC000102792810	555069664	/nfs/dbraw/zinc/06/96/64/555069664.db2.gz	SGGNOOOYFFWYDU-UHFFFAOYSA-N	0	0	553.475	3.288	50	0		KGAARN
CCC(=O)N1CCc2cc(Br)c(S(=O)(=O)CCC(=O)Nc3ccc(C(=O)OC)cc3)cc21	ZINC000102792850	555069623	/nfs/dbraw/zinc/06/96/23/555069623.db2.gz	PLQXTKJLPGUPCE-UHFFFAOYSA-N	0	0	523.405	3.337	50	0		KGAARN
CCC(=O)N1CCc2cc(Br)c(S(=O)(=O)N3CCC(C(=O)NCCCOC(C)C)CC3)cc21	ZINC000102792915	555069919	/nfs/dbraw/zinc/06/99/19/555069919.db2.gz	PNUPWQWRNHFCRL-UHFFFAOYSA-N	0	0	544.512	3.080	50	0		KGAARN
CCC(=O)N1CCc2cc(Br)c(S(=O)(=O)N3CCC(C(=O)NCc4ccc(OC)cc4)CC3)cc21	ZINC000102792924	555069950	/nfs/dbraw/zinc/06/99/50/555069950.db2.gz	DZJAGBDTIAVYLC-UHFFFAOYSA-N	0	0	564.502	3.474	50	0		KGAARN
CCC(=O)N1CCc2cc(Br)c(S(=O)(=O)N3CCC(C(=O)NCc4ccc(C)o4)CC3)cc21	ZINC000102792926	555069909	/nfs/dbraw/zinc/06/99/09/555069909.db2.gz	UYEXIXGFVNFHIP-UHFFFAOYSA-N	0	0	538.464	3.367	50	0		KGAARN
CCC(=O)N1CCc2cc(Br)c(S(=O)(=O)N3CCC[C@H](C(=O)N4CCN(Cc5ccccc5)CC4)C3)cc21	ZINC000102792982	555070078	/nfs/dbraw/zinc/07/00/78/555070078.db2.gz	KFPSBCMDHANJGG-QHCPKHFHSA-N	0	0	603.583	3.493	50	0		KGAARN
CCC(=O)N1CCc2cc(Br)c(S(=O)(=O)N3CCC[C@@H](C(=O)N4CCN(Cc5ccccc5)CC4)C3)cc21	ZINC000102792985	555070107	/nfs/dbraw/zinc/07/01/07/555070107.db2.gz	KFPSBCMDHANJGG-HSZRJFAPSA-N	0	0	603.583	3.493	50	0		KGAARN
CCC(=O)N1CCc2cc(Br)c(S(=O)(=O)N3CCC[C@H](C(=O)N4CCN(c5ccccc5)CC4)C3)cc21	ZINC000102793009	555070104	/nfs/dbraw/zinc/07/01/04/555070104.db2.gz	PGGPOULMSYJDTO-NRFANRHFSA-N	0	0	589.556	3.498	50	0		KGAARN
CCC(=O)N1CCc2cc(Br)c(S(=O)(=O)N3CCC[C@@H](C(=O)N4CCN(c5ccccc5)CC4)C3)cc21	ZINC000102793010	555070035	/nfs/dbraw/zinc/07/00/35/555070035.db2.gz	PGGPOULMSYJDTO-OAQYLSRUSA-N	0	0	589.556	3.498	50	0		KGAARN
CCC(=O)N1CCc2cc(Br)c(S(=O)(=O)N3CCC[C@H](C(=O)NC[C@@H]4COc5ccccc5O4)C3)cc21	ZINC000102793046	555070331	/nfs/dbraw/zinc/07/03/31/555070331.db2.gz	GKQJGFXRFPNZTQ-RBUKOAKNSA-N	0	0	592.512	3.105	50	0		KGAARN
CCC(=O)N1CCc2cc(Br)c(S(=O)(=O)N3CCC[C@@H](C(=O)NC[C@@H]4COc5ccccc5O4)C3)cc21	ZINC000102793048	555070321	/nfs/dbraw/zinc/07/03/21/555070321.db2.gz	GKQJGFXRFPNZTQ-RTBURBONSA-N	0	0	592.512	3.105	50	0		KGAARN
CCC(=O)N1CCc2cc(Br)c(S(=O)(=O)N3CCC[C@H](C(=O)NCc4ccc(OC)cc4)C3)cc21	ZINC000102793069	555070349	/nfs/dbraw/zinc/07/03/49/555070349.db2.gz	OCCDJVJLKLSAHX-IBGZPJMESA-N	0	0	564.502	3.474	50	0		KGAARN
CCC(=O)N1CCc2cc(Br)c(S(=O)(=O)N3CCC[C@@H](C(=O)NCc4ccc(OC)cc4)C3)cc21	ZINC000102793072	555070319	/nfs/dbraw/zinc/07/03/19/555070319.db2.gz	OCCDJVJLKLSAHX-LJQANCHMSA-N	0	0	564.502	3.474	50	0		KGAARN
CCC(=O)N1CCc2cc(Br)c(S(=O)(=O)N3CCC[C@H](C(=O)NCc4ccc(C)o4)C3)cc21	ZINC000102793076	555070367	/nfs/dbraw/zinc/07/03/67/555070367.db2.gz	VCPCXPCBWVZSLV-KRWDZBQOSA-N	0	0	538.464	3.367	50	0		KGAARN
CCC(=O)N1CCc2cc(Br)c(S(=O)(=O)N3CCC[C@@H](C(=O)NCc4ccc(C)o4)C3)cc21	ZINC000102793078	555070323	/nfs/dbraw/zinc/07/03/23/555070323.db2.gz	VCPCXPCBWVZSLV-QGZVFWFLSA-N	0	0	538.464	3.367	50	0		KGAARN
CCC(=O)N1CCc2cc(Br)c(S(=O)(=O)N3CCC[C@H](C(=O)NCc4ccc5c(c4)OCO5)C3)cc21	ZINC000102793081	555070369	/nfs/dbraw/zinc/07/03/69/555070369.db2.gz	FSYGSVCEZZQUJL-SFHVURJKSA-N	0	0	578.485	3.194	50	0		KGAARN
CCC(=O)N1CCc2cc(Br)c(S(=O)(=O)N3CCC[C@@H](C(=O)NCc4ccc5c(c4)OCO5)C3)cc21	ZINC000102793083	555070335	/nfs/dbraw/zinc/07/03/35/555070335.db2.gz	FSYGSVCEZZQUJL-GOSISDBHSA-N	0	0	578.485	3.194	50	0		KGAARN
CCC(=O)N1CCc2cc(Br)c(S(=O)(=O)N3CCC[C@H](C(=O)NCc4cccc(OC)c4)C3)cc21	ZINC000102793086	555070333	/nfs/dbraw/zinc/07/03/33/555070333.db2.gz	UKTZEKJOOTZORF-IBGZPJMESA-N	0	0	564.502	3.474	50	0		KGAARN
CCC(=O)N1CCc2cc(Br)c(S(=O)(=O)N3CCC[C@@H](C(=O)NCc4cccc(OC)c4)C3)cc21	ZINC000102793088	555070316	/nfs/dbraw/zinc/07/03/16/555070316.db2.gz	UKTZEKJOOTZORF-LJQANCHMSA-N	0	0	564.502	3.474	50	0		KGAARN
CCC(=O)N1CCc2cc(Br)c(S(=O)(=O)N3CCC[C@H](C(=O)NCc4ccccc4)C3)cc21	ZINC000102793090	555070318	/nfs/dbraw/zinc/07/03/18/555070318.db2.gz	AZVTXCQNRONXKB-IBGZPJMESA-N	0	0	534.476	3.465	50	0		KGAARN
CCC(=O)N1CCc2cc(Br)c(S(=O)(=O)N3CCC[C@@H](C(=O)NCc4ccccc4)C3)cc21	ZINC000102793091	555070328	/nfs/dbraw/zinc/07/03/28/555070328.db2.gz	AZVTXCQNRONXKB-LJQANCHMSA-N	0	0	534.476	3.465	50	0		KGAARN
CCC(=O)N1CCc2cc(Br)c(S(=O)(=O)N3CCC[C@H](C(=O)NCc4ccccc4OC)C3)cc21	ZINC000102793095	555070344	/nfs/dbraw/zinc/07/03/44/555070344.db2.gz	WYSKZQJLPLHWCG-IBGZPJMESA-N	0	0	564.502	3.474	50	0		KGAARN
CCC(=O)N1CCc2cc(Br)c(S(=O)(=O)N3CCC[C@@H](C(=O)NCc4ccccc4OC)C3)cc21	ZINC000102793096	555070310	/nfs/dbraw/zinc/07/03/10/555070310.db2.gz	WYSKZQJLPLHWCG-LJQANCHMSA-N	0	0	564.502	3.474	50	0		KGAARN
CCC(=O)N1CCc2cc(Br)c(S(=O)(=O)NCCCN3CCN(c4ccccc4F)CC3)cc21	ZINC000102793308	555070929	/nfs/dbraw/zinc/07/09/29/555070929.db2.gz	MVHHHWMLUFYBFY-UHFFFAOYSA-N	0	0	553.498	3.378	50	0		KGAARN
Cc1ccc2nc(CN(Cc3cc(=O)n4cc(C)ccc4n3)[C@@H](C)c3ccc(S(C)(=O)=O)cc3)cc(=O)n2c1	ZINC000102793909	555070961	/nfs/dbraw/zinc/07/09/61/555070961.db2.gz	PXMTWQSTOBICAE-NRFANRHFSA-N	0	0	543.649	3.486	50	0		KGAARN
Cc1ccc2nc(CN(Cc3cc(=O)n4cc(C)ccc4n3)[C@H](C)c3ccc(S(C)(=O)=O)cc3)cc(=O)n2c1	ZINC000102793911	555070993	/nfs/dbraw/zinc/07/09/93/555070993.db2.gz	PXMTWQSTOBICAE-OAQYLSRUSA-N	0	0	543.649	3.486	50	0		KGAARN
CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)C[C@H](NC(C)=O)c2ccccc2Cl)c1	ZINC000102797644	555071936	/nfs/dbraw/zinc/07/19/36/555071936.db2.gz	NMOZRLQWNSZKTH-QFIPXVFZSA-N	0	0	537.082	3.413	50	0		KGAARN
CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)C[C@@H](NC(C)=O)c2ccccc2Cl)c1	ZINC000102797646	555071819	/nfs/dbraw/zinc/07/18/19/555071819.db2.gz	NMOZRLQWNSZKTH-JOCHJYFZSA-N	0	0	537.082	3.413	50	0		KGAARN
O=C(c1ccc2c(c1)NC(=O)[C@@H](CS(=O)(=O)Cc1cccc(Cl)c1)N2)N1CCN(Cc2ccc3c(c2)OCO3)CC1	ZINC000102798207	555071845	/nfs/dbraw/zinc/07/18/45/555071845.db2.gz	VMLRLJQSAJQPQA-RUZDIDTESA-N	0	0	597.093	3.374	50	0		KGAARN
O=C(c1ccc2c(c1)NC(=O)[C@H](CS(=O)(=O)Cc1cccc(Cl)c1)N2)N1CCN(Cc2ccc3c(c2)OCO3)CC1	ZINC000102798209	555071962	/nfs/dbraw/zinc/07/19/62/555071962.db2.gz	VMLRLJQSAJQPQA-VWLOTQADSA-N	0	0	597.093	3.374	50	0		KGAARN
COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)c3ccccc3C(=O)c3ccc(F)c(F)c3)CC2)c1	ZINC000102799148	555072396	/nfs/dbraw/zinc/07/23/96/555072396.db2.gz	ULLJKSYERCYMRX-UHFFFAOYSA-N	0	0	530.549	3.360	50	0		KGAARN
COc1ccc(CCNC(=O)c2ccc3c(c2)NC(=O)[C@@H](CS(=O)(=O)Cc2cccc(C)c2)N3)cc1OC	ZINC000102801256	555072386	/nfs/dbraw/zinc/07/23/86/555072386.db2.gz	SXWSCJGVHNFKGV-XMMPIXPASA-N	0	0	537.638	3.332	50	0		KGAARN
COc1ccc(CCNC(=O)c2ccc3c(c2)NC(=O)[C@H](CS(=O)(=O)Cc2cccc(C)c2)N3)cc1OC	ZINC000102801258	555072336	/nfs/dbraw/zinc/07/23/36/555072336.db2.gz	SXWSCJGVHNFKGV-DEOSSOPVSA-N	0	0	537.638	3.332	50	0		KGAARN
O=C(c1ccc2c(c1)NC(=O)[C@H](CS(=O)(=O)Cc1cccc(Cl)c1)N2)N1CCN(c2ccccn2)CC1	ZINC000102801816	555072712	/nfs/dbraw/zinc/07/27/12/555072712.db2.gz	SCSYKAMWPNGKHA-QHCPKHFHSA-N	0	0	540.045	3.045	50	0		KGAARN
O=C(c1ccc2c(c1)NC(=O)[C@@H](CS(=O)(=O)Cc1cccc(Cl)c1)N2)N1CCN(c2ccccn2)CC1	ZINC000102801818	555072692	/nfs/dbraw/zinc/07/26/92/555072692.db2.gz	SCSYKAMWPNGKHA-HSZRJFAPSA-N	0	0	540.045	3.045	50	0		KGAARN
COC(=O)c1cc(-c2ccc(Cl)cc2)n(-c2nc3c(c(=O)n(C)c(=O)n3C)n2C/C=C\c2ccccc2)n1	ZINC000102802794	1059656141	/nfs/dbraw/zinc/65/61/41/1059656141.db2.gz	GZFPTHNXPJSAJT-YFHOEESVSA-N	0	0	530.972	3.440	50	0		KGAARN
COC(=O)c1cc(-c2ccc(Cl)cc2)n(-c2nc3c(c(=O)n(C)c(=O)n3C)n2CCCc2ccccc2)n1	ZINC000102802800	555072685	/nfs/dbraw/zinc/07/26/85/555072685.db2.gz	YSMURNYXWWZUSX-UHFFFAOYSA-N	0	0	532.988	3.359	50	0		KGAARN
COc1ccc(CCNC(=O)c2ccc3c(c2)NC(=O)[C@@H](CS(=O)(=O)Cc2ccccc2C)N3)cc1OC	ZINC000102805073	555073043	/nfs/dbraw/zinc/07/30/43/555073043.db2.gz	IYZDHIUSMZRDBZ-XMMPIXPASA-N	0	0	537.638	3.332	50	0	biogenic	KGAARN
COc1ccc(CCNC(=O)c2ccc3c(c2)NC(=O)[C@H](CS(=O)(=O)Cc2ccccc2C)N3)cc1OC	ZINC000102805075	555073068	/nfs/dbraw/zinc/07/30/68/555073068.db2.gz	IYZDHIUSMZRDBZ-DEOSSOPVSA-N	0	0	537.638	3.332	50	0	biogenic	KGAARN
O=C(NCc1ccc(N2CCCC2=O)cc1)c1csc(S(=O)(=O)NCc2ccc(N3CCCC3=O)cc2)c1	ZINC000102805776	555073360	/nfs/dbraw/zinc/07/33/60/555073360.db2.gz	LDILMGSMHNQBFE-UHFFFAOYSA-N	0	0	552.678	3.410	50	0		KGAARN
CC[C@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@H](CC(C)C)C(=O)OCC(=O)c1ccccc1	ZINC000102805813	555073354	/nfs/dbraw/zinc/07/33/54/555073354.db2.gz	FLGUSIZTJGBZSZ-WTVVBQEXSA-N	0	0	624.735	3.035	50	0	biogenic	KGAARN
CCOC(=O)C1=C(COC(=O)CSc2nnc(-c3cccs3)n2CC)NC(=O)N[C@H]1c1ccc(C)o1	ZINC000102818493	555076342	/nfs/dbraw/zinc/07/63/42/555076342.db2.gz	MAVJQXMCDDIURA-IBGZPJMESA-N	0	0	531.616	3.435	50	0		KGAARN
CCOC(=O)C1=C(COC(=O)CSc2nnc(-c3cccs3)n2CC)NC(=O)N[C@@H]1c1ccc(C)o1	ZINC000102818495	555076411	/nfs/dbraw/zinc/07/64/11/555076411.db2.gz	MAVJQXMCDDIURA-LJQANCHMSA-N	0	0	531.616	3.435	50	0		KGAARN
CCOC(=O)C1=C(CSc2nnc(COc3cccc(Br)c3)n2N)NC(=O)N[C@@H]1c1ccc(C)o1	ZINC000102818498	555076373	/nfs/dbraw/zinc/07/63/73/555076373.db2.gz	QHZKWMQTTJGWKP-LJQANCHMSA-N	0	0	563.434	3.198	50	0		KGAARN
CCOC(=O)C1=C(CSc2nnc(COc3cccc(Br)c3)n2N)NC(=O)N[C@H]1c1ccc(C)o1	ZINC000102818502	555076382	/nfs/dbraw/zinc/07/63/82/555076382.db2.gz	QHZKWMQTTJGWKP-IBGZPJMESA-N	0	0	563.434	3.198	50	0		KGAARN
Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)c2ccccc2C(=O)c2ccc(Br)cc2)CC1	ZINC000102825343	555077495	/nfs/dbraw/zinc/07/74/95/555077495.db2.gz	GUDPQZVSWJENAK-UHFFFAOYSA-N	0	0	532.416	3.432	50	0		KGAARN
COc1ccccc1N1CCN(Cn2c3ccccc3n(CN3CCN(c4ccccc4OC)CC3)c2=O)CC1	ZINC000102825755	555077498	/nfs/dbraw/zinc/07/74/98/555077498.db2.gz	UUAJBKWHTALJKJ-UHFFFAOYSA-N	0	0	542.684	3.380	50	0		KGAARN
COc1cccc(COc2coc(CN3CCCN(S(=O)(=O)c4ccc(OC)c(OC)c4)CC3)cc2=O)c1	ZINC000102832363	555079248	/nfs/dbraw/zinc/07/92/48/555079248.db2.gz	TYZSRBCXNZWUAN-UHFFFAOYSA-N	0	0	544.626	3.141	50	0		KGAARN
COc1ccc(Cc2nc(-c3ccc(S(=O)(=O)N4CCC(C(=O)N5CCCC5)CC4)cc3)no2)cc1OC	ZINC000102835030	555079765	/nfs/dbraw/zinc/07/97/65/555079765.db2.gz	GLXXEPIYVWBWLF-UHFFFAOYSA-N	0	0	540.642	3.368	50	0		KGAARN
CC(=O)N1CCc2cc(Br)c(S(=O)(=O)CCC(=O)N3CCN(c4cccc(C)c4C)CC3)cc21	ZINC000102839836	555081046	/nfs/dbraw/zinc/08/10/46/555081046.db2.gz	JTMMXILSEVXRIB-UHFFFAOYSA-N	0	0	548.503	3.488	50	0		KGAARN
CC(=O)N1CCc2cc(Br)c(S(=O)(=O)CCC(=O)N3CCN(c4cc(C)ccc4C)CC3)cc21	ZINC000102839839	555080970	/nfs/dbraw/zinc/08/09/70/555080970.db2.gz	AYPQKNLEPVPTCG-UHFFFAOYSA-N	0	0	548.503	3.488	50	0		KGAARN
CC(=O)c1ccc(N2CCN(C(=O)CCS(=O)(=O)c3cc4c(cc3Br)CCN4C(C)=O)CC2)cc1	ZINC000102839869	555080969	/nfs/dbraw/zinc/08/09/69/555080969.db2.gz	YLKPIVJYULTSPP-UHFFFAOYSA-N	0	0	562.486	3.073	50	0		KGAARN
CC(=O)N1CCc2cc(Br)c(S(=O)(=O)CCC(=O)N3CCN(c4ccc(F)cc4)CC3)cc21	ZINC000102839894	555081012	/nfs/dbraw/zinc/08/10/12/555081012.db2.gz	AYYZWDMXZBFCRV-UHFFFAOYSA-N	0	0	538.439	3.010	50	0		KGAARN
CC(=O)N1CCc2cc(Br)c(S(=O)(=O)CCC(=O)NC3CCN(Cc4ccccc4)CC3)cc21	ZINC000102839901	555081289	/nfs/dbraw/zinc/08/12/89/555081289.db2.gz	NWDDWBPZJUGGTJ-UHFFFAOYSA-N	0	0	548.503	3.303	50	0		KGAARN
CC(=O)N1CCc2cc(Br)c(S(=O)(=O)CCC(=O)N3CCN(c4ccccc4F)CC3)cc21	ZINC000102839938	555081259	/nfs/dbraw/zinc/08/12/59/555081259.db2.gz	QTMLFRAMXRTSFN-UHFFFAOYSA-N	0	0	538.439	3.010	50	0		KGAARN
O=C(C1CC1)N1CCc2cc(Br)c(S(=O)(=O)NCCCN3CCN(c4ccccc4F)CC3)cc21	ZINC000102840028	555081189	/nfs/dbraw/zinc/08/11/89/555081189.db2.gz	JHLHGPXOOATQHH-UHFFFAOYSA-N	0	0	565.509	3.378	50	0		KGAARN
CC(=O)c1ccc(N2CCN(S(=O)(=O)c3cc4c(cc3Br)CCN4C(=O)C3CC3)CC2)cc1	ZINC000102840363	555081320	/nfs/dbraw/zinc/08/13/20/555081320.db2.gz	GABJUPXSTMFRRB-UHFFFAOYSA-N	0	0	532.460	3.462	50	0		KGAARN
Cc1c(NS(=O)(=O)c2cc3c(cc2Br)CCN3C(=O)C2CC2)c(=O)n(-c2ccccc2)n1C	ZINC000102840371	555081196	/nfs/dbraw/zinc/08/11/96/555081196.db2.gz	RPYJURVAOKOWCW-UHFFFAOYSA-N	0	0	531.432	3.347	50	0		KGAARN
CC(=O)N1CCc2cc(Br)c(S(=O)(=O)N3CCC(C(=O)NCCc4ccccc4)CC3)cc21	ZINC000102843042	555082876	/nfs/dbraw/zinc/08/28/76/555082876.db2.gz	OKVCQCFXWCGPHB-UHFFFAOYSA-N	0	0	534.476	3.118	50	0		KGAARN
CC(=O)N1CCc2cc(Br)c(S(=O)(=O)N3CCC(C(=O)N(C)Cc4ccccc4)CC3)cc21	ZINC000102843085	555082933	/nfs/dbraw/zinc/08/29/33/555082933.db2.gz	YWTOGAUMEALDRH-UHFFFAOYSA-N	0	0	534.476	3.417	50	0		KGAARN
COc1ccc(N(C)C(=O)C2CCN(S(=O)(=O)c3cc4c(cc3Br)CCN4C(C)=O)CC2)cc1	ZINC000102843133	555083187	/nfs/dbraw/zinc/08/31/87/555083187.db2.gz	DFFXQDBSIUNASM-UHFFFAOYSA-N	0	0	550.475	3.430	50	0		KGAARN
COC(=O)c1ccc(NC(=O)CCS(=O)(=O)c2cc3c(cc2Br)CCN3C(=O)C2CC2)cc1	ZINC000102843604	555083635	/nfs/dbraw/zinc/08/36/35/555083635.db2.gz	ZYMAYPUUHMJDAQ-UHFFFAOYSA-N	0	0	535.416	3.337	50	0		KGAARN
COc1ccc(CCNC(=O)CCS(=O)(=O)c2cc3c(cc2Br)CCN3C(=O)C2CC2)cc1OC	ZINC000102843631	555083623	/nfs/dbraw/zinc/08/36/23/555083623.db2.gz	AHEXJWMAZZIUNT-UHFFFAOYSA-N	0	0	565.486	3.288	50	0		KGAARN
COC(=O)c1cc(NC(=O)CCS(=O)(=O)c2cc3c(cc2Br)CCN3C(=O)C2CC2)cc(C(=O)OC)c1	ZINC000102843699	555083808	/nfs/dbraw/zinc/08/38/08/555083808.db2.gz	AUFKLXYVDWLGBZ-UHFFFAOYSA-N	0	0	593.452	3.124	50	0		KGAARN
COc1ccccc1N1CCN(C(=O)CCS(=O)(=O)c2cc3c(cc2Br)CCN3C(=O)C2CC2)CC1	ZINC000102843720	555083806	/nfs/dbraw/zinc/08/38/06/555083806.db2.gz	JGVYXRCITLBLJV-UHFFFAOYSA-N	0	0	576.513	3.269	50	0		KGAARN
COC(=O)c1ccccc1NC(=O)CCS(=O)(=O)c1cc2c(cc1Br)CCN2C(=O)C1CC1	ZINC000102843727	555083798	/nfs/dbraw/zinc/08/37/98/555083798.db2.gz	GTOQMVMKKGKPRU-UHFFFAOYSA-N	0	0	535.416	3.337	50	0		KGAARN
O=C(CCS(=O)(=O)c1cc2c(cc1Br)CCN2C(=O)C1CC1)N1CCN(c2ccc(F)cc2)CC1	ZINC000102843730	555083863	/nfs/dbraw/zinc/08/38/63/555083863.db2.gz	IJDHZPWORTVDDW-UHFFFAOYSA-N	0	0	564.477	3.400	50	0		KGAARN
O=C(CCS(=O)(=O)c1cc2c(cc1Br)CCN2C(=O)C1CC1)Nc1ccc2c(c1)OCCO2	ZINC000102843742	555083828	/nfs/dbraw/zinc/08/38/28/555083828.db2.gz	BOTCLVXKDOCKMH-UHFFFAOYSA-N	0	0	535.416	3.322	50	0		KGAARN
O=C(CCS(=O)(=O)c1cc2c(cc1Br)CCN2C(=O)C1CC1)NCCCN1CCN(c2ccccc2F)CC1	ZINC000102843754	555083835	/nfs/dbraw/zinc/08/38/35/555083835.db2.gz	FBUXECROBNYMQG-UHFFFAOYSA-N	0	0	621.573	3.380	50	0		KGAARN
O=C(CCS(=O)(=O)c1cc2c(cc1Br)CCN2C(=O)C1CC1)N1CCN(c2ccccc2)CC1	ZINC000102843761	555083840	/nfs/dbraw/zinc/08/38/40/555083840.db2.gz	CHNDVFXCBNRIHT-UHFFFAOYSA-N	0	0	546.487	3.261	50	0		KGAARN
CN(C)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)OCC(=O)NCC(c1ccccc1)c1ccccc1)n2C	ZINC000102850896	555085797	/nfs/dbraw/zinc/08/57/97/555085797.db2.gz	QWNLZNQHPZYPJV-UHFFFAOYSA-N	0	0	548.665	3.248	50	0		KGAARN
O=C(CSc1nnc(-c2ccc3c(c2)OCO3)n1-c1ccccc1)N1CCN(S(=O)(=O)c2cccs2)CC1	ZINC000102851072	555085789	/nfs/dbraw/zinc/08/57/89/555085789.db2.gz	SEFZEORUYHPNBZ-UHFFFAOYSA-N	0	0	569.690	3.350	50	0		KGAARN
CCOC(=O)C1=C(C)N=C2SC=C(CC(=O)N3CCN(C)CC3)N2[C@@H]1c1cc(OC)ccc1OC	ZINC000102852217	555086256	/nfs/dbraw/zinc/08/62/56/555086256.db2.gz	MMVPXIDVVDLWOJ-HSZRJFAPSA-N	0	0	500.621	3.006	50	0		KGAARN
CCOC(=O)C1=C(C)N=C2SC=C(CC(=O)N3CCN(C)CC3)N2[C@H]1c1cc(OC)ccc1OC	ZINC000102852219	555086352	/nfs/dbraw/zinc/08/63/52/555086352.db2.gz	MMVPXIDVVDLWOJ-QHCPKHFHSA-N	0	0	500.621	3.006	50	0		KGAARN
COc1cc(OC)cc([C@H]2C(C(=O)OC(C)C)=C(C)N=C3SC=C(CC(=O)N4CCN(C)CC4)N32)c1	ZINC000102852713	555086325	/nfs/dbraw/zinc/08/63/25/555086325.db2.gz	FIJGLAZPVOMZKX-DEOSSOPVSA-N	0	0	514.648	3.394	50	0		KGAARN
COc1cc(OC)cc([C@@H]2C(C(=O)OC(C)C)=C(C)N=C3SC=C(CC(=O)N4CCN(C)CC4)N32)c1	ZINC000102852716	555086316	/nfs/dbraw/zinc/08/63/16/555086316.db2.gz	FIJGLAZPVOMZKX-XMMPIXPASA-N	0	0	514.648	3.394	50	0		KGAARN
CCC1=C(C(=O)OC)[C@H](c2cccc(OC)c2OC)N2C(CC(=O)N3CCN(C)CC3)=CSC2=N1	ZINC000102852730	555086347	/nfs/dbraw/zinc/08/63/47/555086347.db2.gz	XUKMNDFXPWZIDG-QFIPXVFZSA-N	0	0	500.621	3.006	50	0		KGAARN
CCC1=C(C(=O)OC)[C@@H](c2cccc(OC)c2OC)N2C(CC(=O)N3CCN(C)CC3)=CSC2=N1	ZINC000102852732	555086246	/nfs/dbraw/zinc/08/62/46/555086246.db2.gz	XUKMNDFXPWZIDG-JOCHJYFZSA-N	0	0	500.621	3.006	50	0		KGAARN
COc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=C3SC=C(CC(=O)N4CCN(C)CC4)N32)cc1OC	ZINC000102852744	555086291	/nfs/dbraw/zinc/08/62/91/555086291.db2.gz	LNUNCCAKHBJPAJ-DEOSSOPVSA-N	0	0	514.648	3.394	50	0		KGAARN
COc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=C3SC=C(CC(=O)N4CCN(C)CC4)N32)cc1OC	ZINC000102852747	555086251	/nfs/dbraw/zinc/08/62/51/555086251.db2.gz	LNUNCCAKHBJPAJ-XMMPIXPASA-N	0	0	514.648	3.394	50	0		KGAARN
CCC1=C(C(=O)OC)[C@H](c2ccc(OC)cc2OC)N2C(CC(=O)N3CCN(C)CC3)=CSC2=N1	ZINC000102852750	555086489	/nfs/dbraw/zinc/08/64/89/555086489.db2.gz	AQGSWLIPNHMAQB-QHCPKHFHSA-N	0	0	500.621	3.006	50	0		KGAARN
CCC1=C(C(=O)OC)[C@@H](c2ccc(OC)cc2OC)N2C(CC(=O)N3CCN(C)CC3)=CSC2=N1	ZINC000102852753	555086597	/nfs/dbraw/zinc/08/65/97/555086597.db2.gz	AQGSWLIPNHMAQB-HSZRJFAPSA-N	0	0	500.621	3.006	50	0		KGAARN
COc1cccc([C@H]2C(C(=O)OC(C)C)=C(C)N=C3SC=C(CC(=O)N4CCN(C)CC4)N32)c1OC	ZINC000102852802	555086494	/nfs/dbraw/zinc/08/64/94/555086494.db2.gz	OTXPOLLNRKLUDL-QHCPKHFHSA-N	0	0	514.648	3.394	50	0		KGAARN
COc1cccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=C3SC=C(CC(=O)N4CCN(C)CC4)N32)c1OC	ZINC000102852803	555086558	/nfs/dbraw/zinc/08/65/58/555086558.db2.gz	OTXPOLLNRKLUDL-HSZRJFAPSA-N	0	0	514.648	3.394	50	0		KGAARN
COc1ccc(OC)c([C@H]2C(C(=O)OC(C)C)=C(C)N=C3SC=C(CC(=O)N4CCN(C)CC4)N32)c1	ZINC000102852808	555086584	/nfs/dbraw/zinc/08/65/84/555086584.db2.gz	CBNLPCBVCIXQDH-DEOSSOPVSA-N	0	0	514.648	3.394	50	0		KGAARN
COc1ccc(OC)c([C@@H]2C(C(=O)OC(C)C)=C(C)N=C3SC=C(CC(=O)N4CCN(C)CC4)N32)c1	ZINC000102852810	555086550	/nfs/dbraw/zinc/08/65/50/555086550.db2.gz	CBNLPCBVCIXQDH-XMMPIXPASA-N	0	0	514.648	3.394	50	0		KGAARN
CCC1=C(C(=O)OC)[C@H](c2cc(OC)cc(OC)c2)N2C(CC(=O)N3CCN(C)CC3)=CSC2=N1	ZINC000102852816	555086485	/nfs/dbraw/zinc/08/64/85/555086485.db2.gz	WKCRAXHKCKHSIJ-QHCPKHFHSA-N	0	0	500.621	3.006	50	0		KGAARN
CCC1=C(C(=O)OC)[C@@H](c2cc(OC)cc(OC)c2)N2C(CC(=O)N3CCN(C)CC3)=CSC2=N1	ZINC000102852818	555086541	/nfs/dbraw/zinc/08/65/41/555086541.db2.gz	WKCRAXHKCKHSIJ-HSZRJFAPSA-N	0	0	500.621	3.006	50	0		KGAARN
CN(CCS(=O)(=O)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1)S(=O)(=O)c1cccs1	ZINC000102854201	555086849	/nfs/dbraw/zinc/08/68/49/555086849.db2.gz	LDEMOGQSIIDJBK-UHFFFAOYSA-N	0	0	555.694	3.384	50	0		KGAARN
COc1ccc(C2=NN(C(=O)CN(CCN3CCOCC3)C(=O)C3CCC3)[C@H](c3ccc(F)cc3)C2)c(OC)c1	ZINC000102854505	555087004	/nfs/dbraw/zinc/08/70/04/555087004.db2.gz	HTSUBKYAZLZUFN-MHZLTWQESA-N	0	0	552.647	3.482	50	0		KGAARN
COc1ccc(C2=NN(C(=O)CN(CCN3CCOCC3)C(=O)C3CCC3)[C@@H](c3ccc(F)cc3)C2)c(OC)c1	ZINC000102854508	555087008	/nfs/dbraw/zinc/08/70/08/555087008.db2.gz	HTSUBKYAZLZUFN-HHHXNRCGSA-N	0	0	552.647	3.482	50	0		KGAARN
COc1ccc([C@@H]2CC(c3ccccc3F)=NN2C(=O)CN(CCN2CCOCC2)C(=O)C2CC2)cc1OC	ZINC000102854556	555086965	/nfs/dbraw/zinc/08/69/65/555086965.db2.gz	SWJCOLIMFWJFDD-VWLOTQADSA-N	0	0	538.620	3.091	50	0		KGAARN
COc1ccc([C@H]2CC(c3ccccc3F)=NN2C(=O)CN(CCN2CCOCC2)C(=O)C2CC2)cc1OC	ZINC000102854560	555086958	/nfs/dbraw/zinc/08/69/58/555086958.db2.gz	SWJCOLIMFWJFDD-RUZDIDTESA-N	0	0	538.620	3.091	50	0		KGAARN
COc1ccc([C@@H]2CC(c3ccccc3F)=NN2C(=O)CN(CCN2CCOCC2)C(=O)C2CCC2)cc1OC	ZINC000102854565	555086924	/nfs/dbraw/zinc/08/69/24/555086924.db2.gz	JPMQDHORHITWNB-SANMLTNESA-N	0	0	552.647	3.482	50	0		KGAARN
COc1ccc([C@H]2CC(c3ccccc3F)=NN2C(=O)CN(CCN2CCOCC2)C(=O)C2CCC2)cc1OC	ZINC000102854568	555086994	/nfs/dbraw/zinc/08/69/94/555086994.db2.gz	JPMQDHORHITWNB-AREMUKBSSA-N	0	0	552.647	3.482	50	0		KGAARN
O=C(CN(CCN1CCOCC1)C(=O)C1CCC1)N1N=C(c2ccccc2F)C[C@H]1c1ccc2c(c1)OCO2	ZINC000102854589	555087232	/nfs/dbraw/zinc/08/72/32/555087232.db2.gz	ANCMZZUJJITTBA-VWLOTQADSA-N	0	0	536.604	3.193	50	0		KGAARN
O=C(CN(CCN1CCOCC1)C(=O)C1CCC1)N1N=C(c2ccccc2F)C[C@@H]1c1ccc2c(c1)OCO2	ZINC000102854595	555087298	/nfs/dbraw/zinc/08/72/98/555087298.db2.gz	ANCMZZUJJITTBA-RUZDIDTESA-N	0	0	536.604	3.193	50	0		KGAARN
COc1ccc(OC)c([C@@H]2CC(c3ccccc3F)=NN2C(=O)CN(CCN2CCOCC2)C(=O)C2CC2)c1	ZINC000102854612	555087255	/nfs/dbraw/zinc/08/72/55/555087255.db2.gz	DGLGDIZHYXQAGH-SANMLTNESA-N	0	0	538.620	3.091	50	0		KGAARN
COc1ccc(OC)c([C@H]2CC(c3ccccc3F)=NN2C(=O)CN(CCN2CCOCC2)C(=O)C2CC2)c1	ZINC000102854615	555087246	/nfs/dbraw/zinc/08/72/46/555087246.db2.gz	DGLGDIZHYXQAGH-AREMUKBSSA-N	0	0	538.620	3.091	50	0		KGAARN
COc1ccc(OC)c([C@@H]2CC(c3ccccc3F)=NN2C(=O)CN(CCN2CCOCC2)C(=O)C(C)C)c1	ZINC000102854645	555087288	/nfs/dbraw/zinc/08/72/88/555087288.db2.gz	FCVKSHOATIHWHE-SANMLTNESA-N	0	0	540.636	3.337	50	0		KGAARN
COc1ccc(OC)c([C@H]2CC(c3ccccc3F)=NN2C(=O)CN(CCN2CCOCC2)C(=O)C(C)C)c1	ZINC000102854649	555087268	/nfs/dbraw/zinc/08/72/68/555087268.db2.gz	FCVKSHOATIHWHE-AREMUKBSSA-N	0	0	540.636	3.337	50	0		KGAARN
COc1ccc([C@@H]2CC(c3ccccc3F)=NN2C(=O)CN(CCN2CCOCC2)C(=O)C(C)C)cc1OC	ZINC000102854685	555087403	/nfs/dbraw/zinc/08/74/03/555087403.db2.gz	AYUSSJHPGBFNHV-VWLOTQADSA-N	0	0	540.636	3.337	50	0		KGAARN
COc1ccc([C@H]2CC(c3ccccc3F)=NN2C(=O)CN(CCN2CCOCC2)C(=O)C(C)C)cc1OC	ZINC000102854688	555087424	/nfs/dbraw/zinc/08/74/24/555087424.db2.gz	AYUSSJHPGBFNHV-RUZDIDTESA-N	0	0	540.636	3.337	50	0		KGAARN
CCOc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(-n4cnc5ccccc5c4=O)cc3)CC2)cc1OCC	ZINC000102854843	555087703	/nfs/dbraw/zinc/08/77/03/555087703.db2.gz	DPANKOKZRBARAE-UHFFFAOYSA-N	0	0	562.648	3.330	50	0		KGAARN
O=S(=O)(c1ccc(N2CCCCCC2)c(NC(=S)NCc2ccc3c(c2)OCO3)c1)N1CCOCC1	ZINC000102855713	555087700	/nfs/dbraw/zinc/08/77/00/555087700.db2.gz	CCFDERXDDDATTO-UHFFFAOYSA-N	0	0	532.688	3.303	50	0		KGAARN
Cc1ccc(S(C)(=O)=O)cc1C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCCC1	ZINC000102856437	555087987	/nfs/dbraw/zinc/08/79/87/555087987.db2.gz	FRWZFMLPKPFCIK-UHFFFAOYSA-N	0	0	535.688	3.052	50	0		KGAARN
COc1ccc(OC)c([C@@H]2CC(c3cccs3)=NN2C(=O)CN(CCN2CCOCC2)C(=O)C2CCC2)c1	ZINC000102857110	555088643	/nfs/dbraw/zinc/08/86/43/555088643.db2.gz	YERFOUKYHHTCJC-DEOSSOPVSA-N	0	0	540.686	3.404	50	0		KGAARN
COc1ccc(OC)c([C@H]2CC(c3cccs3)=NN2C(=O)CN(CCN2CCOCC2)C(=O)C2CCC2)c1	ZINC000102857113	555088640	/nfs/dbraw/zinc/08/86/40/555088640.db2.gz	YERFOUKYHHTCJC-XMMPIXPASA-N	0	0	540.686	3.404	50	0		KGAARN
CCC1=C(C(=O)OC)[C@H](c2cccc(OC)c2)N2C(CC(=O)N3CCN(CCOC)CC3)=CSC2=N1	ZINC000102860212	555090322	/nfs/dbraw/zinc/09/03/22/555090322.db2.gz	XKANGCUYKMBINK-DEOSSOPVSA-N	0	0	514.648	3.014	50	0		KGAARN
CCC1=C(C(=O)OC)[C@@H](c2cccc(OC)c2)N2C(CC(=O)N3CCN(CCOC)CC3)=CSC2=N1	ZINC000102860214	555090266	/nfs/dbraw/zinc/09/02/66/555090266.db2.gz	XKANGCUYKMBINK-XMMPIXPASA-N	0	0	514.648	3.014	50	0		KGAARN
O=C(CSc1nnc(-c2ccccc2Br)n1Cc1ccccc1)N[C@H]1CCS(=O)(=O)C1	ZINC000102867380	555096654	/nfs/dbraw/zinc/09/66/54/555096654.db2.gz	HWCMBOXXZDZAFI-INIZCTEOSA-N	0	0	521.462	3.151	50	0		KGAARN
COc1cccc(C(=O)N(CCN2CCOCC2)Cc2cnc(S(=O)(=O)Cc3ccccc3)n2CC(C)C)c1	ZINC000102870823	555101196	/nfs/dbraw/zinc/10/11/96/555101196.db2.gz	AGGJHPSPZLKPPV-UHFFFAOYSA-N	0	0	554.713	3.496	50	0		KGAARN
COc1ccc(C(=O)N(CCN2CCOCC2)Cc2cnc(S(=O)(=O)Cc3ccccc3)n2CC(C)C)cc1	ZINC000102870838	555101179	/nfs/dbraw/zinc/10/11/79/555101179.db2.gz	WRURGDCTYNTRCZ-UHFFFAOYSA-N	0	0	554.713	3.496	50	0		KGAARN
O=C(c1cccs1)N(CCN1CCOCC1)Cc1cnc(S(=O)(=O)Cc2ccccc2F)n1C[C@@H]1CCCO1	ZINC000102871494	555102200	/nfs/dbraw/zinc/10/22/00/555102200.db2.gz	ATSSALPZTHWSFB-QHCPKHFHSA-N	0	0	576.716	3.211	50	0		KGAARN
O=C(c1cccs1)N(CCN1CCOCC1)Cc1cnc(S(=O)(=O)Cc2ccccc2F)n1C[C@H]1CCCO1	ZINC000102871498	555102217	/nfs/dbraw/zinc/10/22/17/555102217.db2.gz	ATSSALPZTHWSFB-HSZRJFAPSA-N	0	0	576.716	3.211	50	0		KGAARN
O=C(c1ccccc1)N(CCN1CCOCC1)Cc1cnc(S(=O)(=O)Cc2ccccc2F)n1C[C@@H]1CCCO1	ZINC000102871503	555102212	/nfs/dbraw/zinc/10/22/12/555102212.db2.gz	QOLYJOOVZORWHL-SANMLTNESA-N	0	0	570.687	3.150	50	0		KGAARN
O=C(c1ccccc1)N(CCN1CCOCC1)Cc1cnc(S(=O)(=O)Cc2ccccc2F)n1C[C@H]1CCCO1	ZINC000102871507	555102171	/nfs/dbraw/zinc/10/21/71/555102171.db2.gz	QOLYJOOVZORWHL-AREMUKBSSA-N	0	0	570.687	3.150	50	0		KGAARN
COCCn1c(CN(CCN2CCOCC2)C(=O)c2ccccc2C)cnc1S(=O)(=O)Cc1ccccc1Cl	ZINC000102871511	555102161	/nfs/dbraw/zinc/10/21/61/555102161.db2.gz	FSTVVUFPKYORII-UHFFFAOYSA-N	0	0	575.131	3.440	50	0		KGAARN
COCCn1c(CN(CCN2CCOCC2)C(=O)C2CCCC2)cnc1S(=O)(=O)Cc1ccccc1Cl	ZINC000102871540	555102188	/nfs/dbraw/zinc/10/21/88/555102188.db2.gz	UEOLLIBVWLKCLT-UHFFFAOYSA-N	0	0	553.125	3.008	50	0		KGAARN
COCCn1c(CN(CCN2CCOCC2)C(=O)Cc2ccccc2)cnc1S(=O)(=O)Cc1ccccc1Cl	ZINC000102871547	555102152	/nfs/dbraw/zinc/10/21/52/555102152.db2.gz	RPPAUTZZIPZICO-UHFFFAOYSA-N	0	0	575.131	3.060	50	0		KGAARN
O=C(c1ccc(F)cc1)N(CCN1CCOCC1)Cc1cnc(S(=O)(=O)Cc2ccccc2F)n1C[C@@H]1CCCO1	ZINC000102871558	555102238	/nfs/dbraw/zinc/10/22/38/555102238.db2.gz	BNRKVQOBAHUGJR-SANMLTNESA-N	0	0	588.677	3.289	50	0		KGAARN
O=C(c1ccc(F)cc1)N(CCN1CCOCC1)Cc1cnc(S(=O)(=O)Cc2ccccc2F)n1C[C@H]1CCCO1	ZINC000102871564	555102193	/nfs/dbraw/zinc/10/21/93/555102193.db2.gz	BNRKVQOBAHUGJR-AREMUKBSSA-N	0	0	588.677	3.289	50	0		KGAARN
COCCn1c(CN(CCN2CCOCC2)C(=O)c2cccc(Cl)c2)cnc1S(=O)(=O)Cc1ccccc1	ZINC000102871583	555102427	/nfs/dbraw/zinc/10/24/27/555102427.db2.gz	BXEOHXKGSHQXFC-UHFFFAOYSA-N	0	0	561.104	3.131	50	0		KGAARN
CC(C)(C)CC(=O)N(CCN1CCOCC1)Cc1cnc(S(=O)(=O)Cc2ccccc2F)n1C[C@@H]1CCCO1	ZINC000102871591	555102382	/nfs/dbraw/zinc/10/23/82/555102382.db2.gz	PATGAWODUOXFLO-DEOSSOPVSA-N	0	0	564.724	3.272	50	0		KGAARN
CC(C)(C)CC(=O)N(CCN1CCOCC1)Cc1cnc(S(=O)(=O)Cc2ccccc2F)n1C[C@H]1CCCO1	ZINC000102871596	555102429	/nfs/dbraw/zinc/10/24/29/555102429.db2.gz	PATGAWODUOXFLO-XMMPIXPASA-N	0	0	564.724	3.272	50	0		KGAARN
O=C(C1CCCC1)N(CCN1CCOCC1)Cc1cnc(S(=O)(=O)Cc2ccccc2F)n1C[C@@H]1CCCO1	ZINC000102871604	555102402	/nfs/dbraw/zinc/10/24/02/555102402.db2.gz	ORXFHFNIYQAYSG-VWLOTQADSA-N	0	0	562.708	3.026	50	0		KGAARN
O=C(C1CCCC1)N(CCN1CCOCC1)Cc1cnc(S(=O)(=O)Cc2ccccc2F)n1C[C@H]1CCCO1	ZINC000102871610	555102379	/nfs/dbraw/zinc/10/23/79/555102379.db2.gz	ORXFHFNIYQAYSG-RUZDIDTESA-N	0	0	562.708	3.026	50	0		KGAARN
COCCn1c(CN(CCN2CCOCC2)C(=O)c2cccs2)cnc1S(=O)(=O)Cc1ccccc1Cl	ZINC000102871652	555102394	/nfs/dbraw/zinc/10/23/94/555102394.db2.gz	BCKFFRALDXAJCV-UHFFFAOYSA-N	0	0	567.133	3.193	50	0		KGAARN
O=C(Cc1ccccc1)N(CCN1CCOCC1)Cc1cnc(S(=O)(=O)Cc2ccccc2F)n1C[C@@H]1CCCO1	ZINC000102871664	555102480	/nfs/dbraw/zinc/10/24/80/555102480.db2.gz	DHAYXNVMRLXBDL-MHZLTWQESA-N	0	0	584.714	3.079	50	0		KGAARN
O=C(Cc1ccccc1)N(CCN1CCOCC1)Cc1cnc(S(=O)(=O)Cc2ccccc2F)n1C[C@H]1CCCO1	ZINC000102871670	555102368	/nfs/dbraw/zinc/10/23/68/555102368.db2.gz	DHAYXNVMRLXBDL-HHHXNRCGSA-N	0	0	584.714	3.079	50	0		KGAARN
O=C(C1CCCC1)N(CCN1CCOCC1)Cc1cnc(S(=O)(=O)Cc2ccc(F)cc2)n1C[C@@H]1CCCO1	ZINC000102871674	555102476	/nfs/dbraw/zinc/10/24/76/555102476.db2.gz	FMJPUZMGKTXKNN-SANMLTNESA-N	0	0	562.708	3.026	50	0		KGAARN
O=C(C1CCCC1)N(CCN1CCOCC1)Cc1cnc(S(=O)(=O)Cc2ccc(F)cc2)n1C[C@H]1CCCO1	ZINC000102871677	555102472	/nfs/dbraw/zinc/10/24/72/555102472.db2.gz	FMJPUZMGKTXKNN-AREMUKBSSA-N	0	0	562.708	3.026	50	0		KGAARN
CC(C)(C)CC(=O)N(CCN1CCOCC1)Cc1cnc(S(=O)(=O)Cc2ccc(F)cc2)n1C[C@@H]1CCCO1	ZINC000102871693	555102461	/nfs/dbraw/zinc/10/24/61/555102461.db2.gz	VDLONPIMYAMCBS-VWLOTQADSA-N	0	0	564.724	3.272	50	0		KGAARN
CC(C)(C)CC(=O)N(CCN1CCOCC1)Cc1cnc(S(=O)(=O)Cc2ccc(F)cc2)n1C[C@H]1CCCO1	ZINC000102871697	555102398	/nfs/dbraw/zinc/10/23/98/555102398.db2.gz	VDLONPIMYAMCBS-RUZDIDTESA-N	0	0	564.724	3.272	50	0		KGAARN
CC(C)(C)CC(=O)N(CCN1CCOCC1)Cc1cnc(S(=O)(=O)Cc2ccccc2)n1C[C@@H]1CCCO1	ZINC000102871713	555102606	/nfs/dbraw/zinc/10/26/06/555102606.db2.gz	QQQKGTZKBPOSTM-VWLOTQADSA-N	0	0	546.734	3.133	50	0		KGAARN
CC(C)(C)CC(=O)N(CCN1CCOCC1)Cc1cnc(S(=O)(=O)Cc2ccccc2)n1C[C@H]1CCCO1	ZINC000102871718	555102603	/nfs/dbraw/zinc/10/26/03/555102603.db2.gz	QQQKGTZKBPOSTM-RUZDIDTESA-N	0	0	546.734	3.133	50	0		KGAARN
COCCn1c(CN(CCN2CCOCC2)C(=O)c2cccc(F)c2)cnc1S(=O)(=O)Cc1ccccc1Cl	ZINC000102871773	555102599	/nfs/dbraw/zinc/10/25/99/555102599.db2.gz	ZNPSYLFWGUSLHU-UHFFFAOYSA-N	0	0	579.094	3.271	50	0		KGAARN
COCCn1c(CN(CCN2CCOCC2)C(=O)c2ccccc2F)cnc1S(=O)(=O)Cc1ccccc1Cl	ZINC000102871777	555102652	/nfs/dbraw/zinc/10/26/52/555102652.db2.gz	KQVFRIIYONNZNY-UHFFFAOYSA-N	0	0	579.094	3.271	50	0		KGAARN
COCCn1c(CN(CCN2CCOCC2)C(=O)c2ccccc2)cnc1S(=O)(=O)Cc1ccccc1Cl	ZINC000102871807	555102660	/nfs/dbraw/zinc/10/26/60/555102660.db2.gz	RKAMEKOGFSLJNU-UHFFFAOYSA-N	0	0	561.104	3.131	50	0		KGAARN
COCCn1c(CN(CCN2CCOCC2)C(=O)CC(C)(C)C)cnc1S(=O)(=O)Cc1ccccc1Cl	ZINC000102871812	555102591	/nfs/dbraw/zinc/10/25/91/555102591.db2.gz	XNQPURNPNBJDKQ-UHFFFAOYSA-N	0	0	555.141	3.254	50	0		KGAARN
CCN(CC)S(=O)(=O)c1ccc(NC(=O)CN2C(=O)N[C@](C)(c3ccc(Cl)c(Cl)c3)C2=O)cc1	ZINC000102872486	555102836	/nfs/dbraw/zinc/10/28/36/555102836.db2.gz	XYBJCHDTEYNNCH-JOCHJYFZSA-N	0	0	527.430	3.430	50	0		KGAARN
CCN(CC)S(=O)(=O)c1ccc(NC(=O)CN2C(=O)N[C@@](C)(c3ccc(Cl)c(Cl)c3)C2=O)cc1	ZINC000102872489	555103227	/nfs/dbraw/zinc/10/32/27/555103227.db2.gz	XYBJCHDTEYNNCH-QFIPXVFZSA-N	0	0	527.430	3.430	50	0		KGAARN
O=C(c1ccc(N2CCCS2(=O)=O)cc1)N1CCN(S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)CC1	ZINC000102873248	555103752	/nfs/dbraw/zinc/10/37/52/555103752.db2.gz	COYINLXYUQMECX-UHFFFAOYSA-N	0	0	551.996	3.045	50	0		KGAARN
O=C(c1ccc(N2CCCS2(=O)=O)cc1)N1CCN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1	ZINC000102873253	555103742	/nfs/dbraw/zinc/10/37/42/555103742.db2.gz	SDOFLAUIDFBTSJ-UHFFFAOYSA-N	0	0	551.996	3.045	50	0		KGAARN
O=C(c1ccc(N2CCCS2(=O)=O)cc1)N1CCN(S(=O)(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1	ZINC000102874373	555104543	/nfs/dbraw/zinc/10/45/43/555104543.db2.gz	HVONQJSXWMRJTM-UHFFFAOYSA-N	0	0	585.548	3.411	50	0		KGAARN
C[C@@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1	ZINC000102877107	555106515	/nfs/dbraw/zinc/10/65/15/555106515.db2.gz	DHGAIEUARMFHHV-FQEVSTJZSA-N	0	0	542.652	3.067	50	0		KGAARN
C[C@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1	ZINC000102877109	555106728	/nfs/dbraw/zinc/10/67/28/555106728.db2.gz	DHGAIEUARMFHHV-HXUWFJFHSA-N	0	0	542.652	3.067	50	0		KGAARN
CS(=O)(=O)c1ccc(S(=O)(=O)N2CCN(CCOC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1	ZINC000102877636	555106902	/nfs/dbraw/zinc/10/69/02/555106902.db2.gz	PQLMRHUQFWEDQP-UHFFFAOYSA-N	0	0	550.649	3.481	50	0		KGAARN
CS(=O)(=O)c1ccccc1S(=O)(=O)N1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1	ZINC000102877649	555106860	/nfs/dbraw/zinc/10/68/60/555106860.db2.gz	LWVBJMNHUJKHEI-UHFFFAOYSA-N	0	0	550.649	3.481	50	0		KGAARN
CS(=O)(=O)c1ccc(S(=O)(=O)N2CCN(CCO[C@@H](c3ccccc3)c3ccc(F)c(F)c3)CC2)cc1	ZINC000102880689	555109452	/nfs/dbraw/zinc/10/94/52/555109452.db2.gz	LLPKGPXXVXOUFL-SANMLTNESA-N	0	0	550.649	3.481	50	0		KGAARN
CS(=O)(=O)c1ccc(S(=O)(=O)N2CCN(CCO[C@H](c3ccccc3)c3ccc(F)c(F)c3)CC2)cc1	ZINC000102880694	555109533	/nfs/dbraw/zinc/10/95/33/555109533.db2.gz	LLPKGPXXVXOUFL-AREMUKBSSA-N	0	0	550.649	3.481	50	0		KGAARN
CCOc1ccc(NS(=O)(=O)c2ccc(OC)c(NC(=O)c3ccc(OCC(N)=O)c(OC)c3)c2)cc1	ZINC000102884407	555113579	/nfs/dbraw/zinc/11/35/79/555113579.db2.gz	WZVDSCQSUFUTFS-UHFFFAOYSA-N	0	0	529.571	3.020	50	0		KGAARN
COc1ccc(CCNC(=O)c2cccnc2N2CCN(C(=O)c3cc(F)cc(F)c3F)CC2)cc1OC	ZINC000102884722	555114256	/nfs/dbraw/zinc/11/42/56/555114256.db2.gz	GROSUWZVIMFOGV-UHFFFAOYSA-N	0	0	528.531	3.451	50	0		KGAARN
COc1ccc(CCNC(=O)c2cccnc2N2CCN(C(=O)c3c(F)cc(F)cc3F)CC2)cc1OC	ZINC000102884726	555114213	/nfs/dbraw/zinc/11/42/13/555114213.db2.gz	UVBWOXOSGXRPGB-UHFFFAOYSA-N	0	0	528.531	3.451	50	0		KGAARN
CCN(CC)c1ccc(NC(=O)c2ccc(OCC(N)=O)c(OC)c2)cc1S(=O)(=O)Nc1ccc(OC)cc1	ZINC000102885751	555116026	/nfs/dbraw/zinc/11/60/26/555116026.db2.gz	ITAANXPTRVAWQM-UHFFFAOYSA-N	0	0	556.641	3.467	50	0		KGAARN
NC(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)N(Cc2nnc(-c3ccc(Cl)cc3)o2)C2CC2)CC1	ZINC000102885945	555116435	/nfs/dbraw/zinc/11/64/35/555116435.db2.gz	LWGGSTBEVLURER-UHFFFAOYSA-N	0	0	544.033	3.081	50	0		KGAARN
COc1ccccc1CN(Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1)Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1	ZINC000102887205	555118677	/nfs/dbraw/zinc/11/86/77/555118677.db2.gz	DOKWJWGXPWPSHP-UHFFFAOYSA-N	0	0	573.606	3.405	50	0		KGAARN
Nc1c(C(=O)CN2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)c(=O)[nH]c(=O)n1Cc1ccccc1	ZINC000102889356	555123539	/nfs/dbraw/zinc/12/35/39/555123539.db2.gz	UTNBZANAVNAUQV-UHFFFAOYSA-N	0	0	545.590	3.035	50	0		KGAARN
CS(=O)(=O)CC[C@@H](C(=O)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1)N1C(=O)c2ccccc2C1=O	ZINC000102892211	555128402	/nfs/dbraw/zinc/12/84/02/555128402.db2.gz	OOVSVXRCLGDQMY-SANMLTNESA-N	0	0	581.641	3.298	50	0		KGAARN
CS(=O)(=O)CC[C@H](C(=O)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1)N1C(=O)c2ccccc2C1=O	ZINC000102892214	555128352	/nfs/dbraw/zinc/12/83/52/555128352.db2.gz	OOVSVXRCLGDQMY-AREMUKBSSA-N	0	0	581.641	3.298	50	0		KGAARN
CCOC(=O)C1C(CN(CCCOC)CC2=NC(=O)N[C@H](c3ccccc3)C2C(=O)OCC)=NC(=O)N[C@H]1c1ccccc1	ZINC000102892613	555129024	/nfs/dbraw/zinc/12/90/24/555129024.db2.gz	JPZCOOLFBWJVDQ-HNRBIFIRSA-N	0	0	605.692	3.068	50	0		KGAARN
CCOC(=O)C1C(CN(CCCOC)CC2=NC(=O)N[C@@H](c3ccccc3)C2C(=O)OCC)=NC(=O)N[C@H]1c1ccccc1	ZINC000102892616	555129054	/nfs/dbraw/zinc/12/90/54/555129054.db2.gz	JPZCOOLFBWJVDQ-NSOVKSMOSA-N	0	0	605.692	3.068	50	0		KGAARN
CCOC(=O)C1C(CN(CCCOC)CC2=NC(=O)N[C@H](c3ccccc3)C2C(=O)OCC)=NC(=O)N[C@@H]1c1ccccc1	ZINC000102892618	555128986	/nfs/dbraw/zinc/12/89/86/555128986.db2.gz	JPZCOOLFBWJVDQ-VSGBNLITSA-N	0	0	605.692	3.068	50	0		KGAARN
O=C(c1ccccc1SCc1nnnn1-c1ccccc1)N1CCN(S(=O)(=O)c2ccccc2F)CC1	ZINC000102893249	555130624	/nfs/dbraw/zinc/13/06/24/555130624.db2.gz	AKZXIMBXULLDOB-UHFFFAOYSA-N	0	0	538.630	3.240	50	0		KGAARN
Cc1cc(CNC(=O)CSc2ccc(S(=O)(=O)N3CCN(Cc4ccccc4)CC3)cn2)cc(C)c1O	ZINC000102894336	555132314	/nfs/dbraw/zinc/13/23/14/555132314.db2.gz	OGGLYJOHLVNAIC-UHFFFAOYSA-N	0	0	540.711	3.319	50	0		KGAARN
O=C(CSc1nnc(-c2ccc3c(c2)OCO3)n1-c1ccccc1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1	ZINC000102895570	555134733	/nfs/dbraw/zinc/13/47/33/555134733.db2.gz	KEESUHZIYWGINF-UHFFFAOYSA-N	0	0	577.688	3.429	50	0		KGAARN
O=C(CSc1nnc(-c2ccc3c(c2)OCO3)n1-c1ccccc1)N1CCN(S(=O)(=O)c2ccccc2F)CC1	ZINC000102895578	555134668	/nfs/dbraw/zinc/13/46/68/555134668.db2.gz	FDBDZNOLHLOGMK-UHFFFAOYSA-N	0	0	581.651	3.427	50	0		KGAARN
COc1ccc(C(=O)N[C@@H](C(=O)OCCCOC(=O)[C@@H](NC(=O)c2ccc(OC)cc2)C(C)C)C(C)C)cc1	ZINC000102896075	555135747	/nfs/dbraw/zinc/13/57/47/555135747.db2.gz	OKGPWPOIMVJJQQ-PLQXJYEYSA-N	0	0	542.629	3.389	50	0		KGAARN
COc1ccc(C(=O)N[C@@H](C(=O)OCCCOC(=O)[C@H](NC(=O)c2ccc(OC)cc2)C(C)C)C(C)C)cc1	ZINC000102896077	555135686	/nfs/dbraw/zinc/13/56/86/555135686.db2.gz	OKGPWPOIMVJJQQ-JWQCQUIFSA-N	0	0	542.629	3.389	50	0		KGAARN
COc1cccc(-n2c(=O)c3cc(I)ccc3nc2S[C@@H](C)C(=O)N2CCOCC2)c1	ZINC000102897365	555137514	/nfs/dbraw/zinc/13/75/14/555137514.db2.gz	YPZFRUSSKYFDRW-AWEZNQCLSA-N	0	0	551.406	3.338	50	0		KGAARN
COc1cccc(-n2c(=O)c3cc(I)ccc3nc2S[C@H](C)C(=O)N2CCOCC2)c1	ZINC000102897366	555137682	/nfs/dbraw/zinc/13/76/82/555137682.db2.gz	YPZFRUSSKYFDRW-CQSZACIVSA-N	0	0	551.406	3.338	50	0		KGAARN
CCc1c(C)sc2nc(-c3ccc(C(=O)N4CCN(S(=O)(=O)c5ccc6c(c5)CC(=O)N6)CC4)cc3)[nH]c(=O)c12	ZINC000102897498	555137884	/nfs/dbraw/zinc/13/78/84/555137884.db2.gz	RXYDEZQCHNSWLJ-UHFFFAOYSA-N	0	0	577.688	3.164	50	0		KGAARN
CSCC[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1)C(=O)Nc1cc(C)nn1-c1ccccn1	ZINC000102897783	555137871	/nfs/dbraw/zinc/13/78/71/555137871.db2.gz	BAPUPPFUQNBLIV-QHCPKHFHSA-N	0	0	570.741	3.161	50	0		KGAARN
CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)N2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1	ZINC000102898086	555138179	/nfs/dbraw/zinc/13/81/79/555138179.db2.gz	UYUDXDPCAPYRKY-UHFFFAOYSA-N	0	0	556.635	3.478	50	0		KGAARN
COc1cccc(NS(=O)(=O)c2cccc(-c3nnc(-c4cccc(S(=O)(=O)N5CCOCC5)c4)o3)c2)c1	ZINC000102898771	555138513	/nfs/dbraw/zinc/13/85/13/555138513.db2.gz	WDFOEDXWUASFCY-UHFFFAOYSA-N	0	0	556.622	3.234	50	0		KGAARN
Cc1cc(=O)c(C(=O)N2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)nn1-c1ccc(Cl)cc1	ZINC000102902382	555140504	/nfs/dbraw/zinc/14/05/04/555140504.db2.gz	WGLXKMLABRRFII-UHFFFAOYSA-N	0	0	540.951	3.360	50	0		KGAARN
COc1ccc(CNC(=O)[C@H](C)Sc2ccc(S(=O)(=O)N3CCN(Cc4ccccc4)CC3)cn2)cc1	ZINC000102904164	555140993	/nfs/dbraw/zinc/14/09/93/555140993.db2.gz	XNPRTLCOZPDZBM-NRFANRHFSA-N	0	0	540.711	3.394	50	0		KGAARN
COc1ccc(CNC(=O)[C@@H](C)Sc2ccc(S(=O)(=O)N3CCN(Cc4ccccc4)CC3)cn2)cc1	ZINC000102904167	555140948	/nfs/dbraw/zinc/14/09/48/555140948.db2.gz	XNPRTLCOZPDZBM-OAQYLSRUSA-N	0	0	540.711	3.394	50	0		KGAARN
COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)COC(=O)COc1ccc(C2SCCCS2)cc1	ZINC000102904199	555140907	/nfs/dbraw/zinc/14/09/07/555140907.db2.gz	QNXVMJQBIZFAAM-UHFFFAOYSA-N	0	0	540.685	3.375	50	0		KGAARN
Cc1cc(NC(=O)Cn2cnc3nc(N4CCC(C(=O)NC5CC5)CC4)sc3c2=O)ccc1Br	ZINC000102905452	555141246	/nfs/dbraw/zinc/14/12/46/555141246.db2.gz	CJODJYCGIBEVLI-UHFFFAOYSA-N	0	0	545.463	3.058	50	0		KGAARN
O=C(CSc1nnnn1-c1ccc(OC(F)(F)F)cc1)Nc1cc2[nH]c(=O)[nH]c2cc1Br	ZINC000102907435	555141336	/nfs/dbraw/zinc/14/13/36/555141336.db2.gz	OQFZKXZLUASLFA-UHFFFAOYSA-N	0	0	530.286	3.224	50	0		KGAARN
Cc1ccccc1Nc1nc(N)nc(COC(=O)c2cc(S(=O)(=O)NC3CC3)ccc2Br)n1	ZINC000102907655	555141332	/nfs/dbraw/zinc/14/13/32/555141332.db2.gz	ZYFBHOIFJLAALQ-UHFFFAOYSA-N	0	0	533.408	3.066	50	0		KGAARN
O=C(COC(=O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1)Nc1cc2[nH]c(=O)[nH]c2cc1Br	ZINC000102908383	555141628	/nfs/dbraw/zinc/14/16/28/555141628.db2.gz	PEEWTECTFLSVBM-UHFFFAOYSA-N	0	0	545.371	3.215	50	0		KGAARN
O=C(COC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1)Nc1ncc(Br)s1	ZINC000102909237	555142262	/nfs/dbraw/zinc/14/22/62/555142262.db2.gz	OQFJBGJORBDSEP-UHFFFAOYSA-N	0	0	522.402	3.453	50	0		KGAARN
NS(=O)(=O)c1cc(Cl)c(NC(=O)COC(=O)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)c(Cl)c1	ZINC000102910263	555142463	/nfs/dbraw/zinc/14/24/63/555142463.db2.gz	HGTFQPKMCPDLTE-UHFFFAOYSA-N	0	0	555.362	3.453	50	0		KGAARN
O=C(c1ccc(-n2cncn2)cc1)N1CCN(S(=O)(=O)c2c(Cl)cc(Br)cc2Cl)CC1	ZINC000102910697	555142802	/nfs/dbraw/zinc/14/28/02/555142802.db2.gz	DLJKFLAVSZPSRC-UHFFFAOYSA-N	0	0	545.246	3.483	50	0		KGAARN
O=C(c1ccc(-n2cncn2)cc1)N1CCN(S(=O)(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1	ZINC000102910701	555142741	/nfs/dbraw/zinc/14/27/41/555142741.db2.gz	UHQRCKORNOJZID-UHFFFAOYSA-N	0	0	533.454	3.452	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(c3ccccc3OCC)CC2)NC(=O)N[C@H]1c1ccc(OCC)c(OC)c1	ZINC000102912643	555143333	/nfs/dbraw/zinc/14/33/33/555143333.db2.gz	FFQDQAFDWCICKV-MHZLTWQESA-N	0	0	538.645	3.486	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(c3ccccc3OCC)CC2)NC(=O)N[C@@H]1c1ccc(OCC)c(OC)c1	ZINC000102912646	555143281	/nfs/dbraw/zinc/14/32/81/555143281.db2.gz	FFQDQAFDWCICKV-HHHXNRCGSA-N	0	0	538.645	3.486	50	0		KGAARN
C[C@@H](C(=O)Nc1cc(S(=O)(=O)Nc2cccc(Cl)c2)ccc1O)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O	ZINC000102913969	555143473	/nfs/dbraw/zinc/14/34/73/555143473.db2.gz	MTVRNILPOZADTJ-DOPJRALCSA-N	0	0	505.980	3.349	50	0		KGAARN
C[C@H](C(=O)Nc1cc(S(=O)(=O)Nc2cccc(Cl)c2)ccc1O)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O	ZINC000102913972	555143520	/nfs/dbraw/zinc/14/35/20/555143520.db2.gz	MTVRNILPOZADTJ-XWIAVFTESA-N	0	0	505.980	3.349	50	0		KGAARN
O=C(c1ccc(-n2cnc3ccccc3c2=O)cc1)N1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1	ZINC000102914609	555143758	/nfs/dbraw/zinc/14/37/58/555143758.db2.gz	HRCRSPYIFAUGGI-UHFFFAOYSA-N	0	0	526.977	3.325	50	0		KGAARN
O=C(c1ccc(-n2cnc3ccccc3c2=O)cc1)N1CCN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)CC1	ZINC000102914708	555143729	/nfs/dbraw/zinc/14/37/29/555143729.db2.gz	TWTYOEGZYULUHU-UHFFFAOYSA-N	0	0	558.538	3.431	50	0		KGAARN
O=C(c1ccc(-n2cnc3ccccc3c2=O)cc1)N1CCN(S(=O)(=O)c2cccc3c2N=S=N3)CC1	ZINC000102915146	555143761	/nfs/dbraw/zinc/14/37/61/555143761.db2.gz	FXYLQSPAWULBEV-UHFFFAOYSA-N	0	0	532.607	3.259	50	0		KGAARN
O=C(c1ccc(-n2cnc3ccccc3c2=O)cc1)N1CCN(S(=O)(=O)c2cccc(Br)c2)CC1	ZINC000102915860	555143967	/nfs/dbraw/zinc/14/39/67/555143967.db2.gz	UUOYDMMRZOXDDW-UHFFFAOYSA-N	0	0	553.438	3.295	50	0		KGAARN
O=C(c1ccc(-n2cnc3ccccc3c2=O)cc1)N1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1	ZINC000102915867	555143915	/nfs/dbraw/zinc/14/39/15/555143915.db2.gz	SEXFWTMGRJBXTN-UHFFFAOYSA-N	0	0	528.634	3.411	50	0		KGAARN
O=C(c1ccc(-n2cnc3ccccc3c2=O)cc1)N1CCN(S(=O)(=O)c2ccccc2Br)CC1	ZINC000102916114	555143937	/nfs/dbraw/zinc/14/39/37/555143937.db2.gz	AEDNWSGWQXAPRS-UHFFFAOYSA-N	0	0	553.438	3.295	50	0		KGAARN
CCNC(=O)N1CCN(c2cc(Cl)nc(SCC(=O)N3CCN(c4ccccc4OCC)CC3)n2)C[C@@H]1C	ZINC000102916336	555143912	/nfs/dbraw/zinc/14/39/12/555143912.db2.gz	BHIZVDGJPFNLJB-IBGZPJMESA-N	0	0	562.140	3.210	50	0		KGAARN
CCNC(=O)N1CCN(c2cc(Cl)nc(SCC(=O)N3CCN(c4ccccc4OCC)CC3)n2)C[C@H]1C	ZINC000102916339	555144195	/nfs/dbraw/zinc/14/41/95/555144195.db2.gz	BHIZVDGJPFNLJB-LJQANCHMSA-N	0	0	562.140	3.210	50	0		KGAARN
O=C(c1ccc(-n2cnc3ccccc3c2=O)cc1)N1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1	ZINC000102917480	555144470	/nfs/dbraw/zinc/14/44/70/555144470.db2.gz	DSZAPNGXLTVCSP-UHFFFAOYSA-N	0	0	553.438	3.295	50	0		KGAARN
CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(NC(=O)COC(=O)CSc2nnc(N)s2)c1	ZINC000102919132	555144795	/nfs/dbraw/zinc/14/47/95/555144795.db2.gz	GDXNULLVHJIHKE-UHFFFAOYSA-N	0	0	542.064	3.263	50	0		KGAARN
CCCn1cc(C(=O)N2CCc3ccccc3C2)c(S(=O)(=O)N2CCN(c3ccccc3OCC)CC2)n1	ZINC000102920212	555145304	/nfs/dbraw/zinc/14/53/04/555145304.db2.gz	QKACKSZUTOHMDM-UHFFFAOYSA-N	0	0	537.686	3.401	50	0		KGAARN
O=C(CN1N=C(c2nc(-c3ccc4c(c3)OCO4)no2)CCC1=O)Nc1ccc(Br)cc1F	ZINC000102920231	555145275	/nfs/dbraw/zinc/14/52/75/555145275.db2.gz	HVIZHMUOTUEGGM-UHFFFAOYSA-N	0	0	516.283	3.332	50	0		KGAARN
O=C(CN1N=C(c2nc(-c3ccc4c(c3)OCO4)no2)CCC1=O)Nc1ccc(F)cc1Br	ZINC000102920269	555145360	/nfs/dbraw/zinc/14/53/60/555145360.db2.gz	KMYAOUWFHNZLCT-UHFFFAOYSA-N	0	0	516.283	3.332	50	0		KGAARN
CCn1cc(C(=O)N2CCN(c3ccccc3)CC2)c(S(=O)(=O)N2CCN(c3ccccc3Cl)CC2)n1	ZINC000102920488	555145702	/nfs/dbraw/zinc/14/57/02/555145702.db2.gz	VPPKYTQPHYJXRB-UHFFFAOYSA-N	0	0	543.093	3.030	50	0		KGAARN
O=C(CN1N=C(c2nc(-c3ccc4c(c3)OCO4)no2)CCC1=O)Nc1ccc(I)cc1	ZINC000102920628	555145835	/nfs/dbraw/zinc/14/58/35/555145835.db2.gz	JPKKYZGLRLGODU-UHFFFAOYSA-N	0	0	545.293	3.035	50	0		KGAARN
CCn1cc(C(=O)N2CCN(c3ccccc3)CC2)c(S(=O)(=O)N2CCN(c3cccc(Cl)c3)CC2)n1	ZINC000102920780	555146116	/nfs/dbraw/zinc/14/61/16/555146116.db2.gz	VUOLJKVNVWNFFS-UHFFFAOYSA-N	0	0	543.093	3.030	50	0		KGAARN
CCOC(=O)c1cccc(NC(=O)c2cn(CC)nc2S(=O)(=O)N2CCN(c3cccc(C)c3C)CC2)c1	ZINC000102921037	555146290	/nfs/dbraw/zinc/14/62/90/555146290.db2.gz	QAUBELHQQNEONG-UHFFFAOYSA-N	0	0	539.658	3.460	50	0		KGAARN
CCOC(=O)c1ccc(NC(=O)c2cn(CC)nc2S(=O)(=O)N2CCN(c3cccc(C)c3C)CC2)cc1	ZINC000102921123	555146282	/nfs/dbraw/zinc/14/62/82/555146282.db2.gz	VCZFPHIMGNMDEZ-UHFFFAOYSA-N	0	0	539.658	3.460	50	0		KGAARN
CCCOc1ccc(N2C(=O)C[C@H](n3nc(-c4cccc(S(=O)(=O)N5CCOCC5)c4)oc3=S)C2=O)cc1	ZINC000102921425	555146811	/nfs/dbraw/zinc/14/68/11/555146811.db2.gz	DCHXIZXOMCMGLC-NRFANRHFSA-N	0	0	558.638	3.187	50	0		KGAARN
CCCOc1ccc(N2C(=O)C[C@@H](n3nc(-c4cccc(S(=O)(=O)N5CCOCC5)c4)oc3=S)C2=O)cc1	ZINC000102921427	555146786	/nfs/dbraw/zinc/14/67/86/555146786.db2.gz	DCHXIZXOMCMGLC-OAQYLSRUSA-N	0	0	558.638	3.187	50	0		KGAARN
O=C(CCCCCC(=O)NC[C@@H](c1cccs1)N1CCOCC1)NC[C@H](c1cccs1)N1CCOCC1	ZINC000102921762	555146967	/nfs/dbraw/zinc/14/69/67/555146967.db2.gz	YFWHMLZLACRKEO-ZRZAMGCNSA-N	0	0	548.775	3.439	50	0		KGAARN
O=C(CCCCCC(=O)NC[C@@H](c1cccs1)N1CCOCC1)NC[C@@H](c1cccs1)N1CCOCC1	ZINC000102921764	555146961	/nfs/dbraw/zinc/14/69/61/555146961.db2.gz	YFWHMLZLACRKEO-GOTSBHOMSA-N	0	0	548.775	3.439	50	0		KGAARN
O=C(CCCCCC(=O)NC[C@H](c1cccs1)N1CCOCC1)NC[C@H](c1cccs1)N1CCOCC1	ZINC000102921766	555146912	/nfs/dbraw/zinc/14/69/12/555146912.db2.gz	YFWHMLZLACRKEO-DHIUTWEWSA-N	0	0	548.775	3.439	50	0		KGAARN
NS(=O)(=O)c1ccc(CCNc2nc3c(S(=O)(=O)c4ccccc4)nnn3c3ccc(Cl)cc32)cc1	ZINC000102922179	555147244	/nfs/dbraw/zinc/14/72/44/555147244.db2.gz	AKPQREFELHOSDT-UHFFFAOYSA-N	0	0	543.030	3.066	50	0		KGAARN
NS(=O)(=O)c1ccc(CCNc2nc3c(S(=O)(=O)c4ccc(Br)cc4)nnn3c3ccccc32)cc1	ZINC000102922240	555147145	/nfs/dbraw/zinc/14/71/45/555147145.db2.gz	UTOOBJYYNFQNEU-UHFFFAOYSA-N	0	0	587.481	3.175	50	0		KGAARN
NC(=O)C1(N2CCCCC2)CCN(c2nc3c(S(=O)(=O)c4ccc(Br)cc4)nnn3c3ccccc32)CC1	ZINC000102922261	555147197	/nfs/dbraw/zinc/14/71/97/555147197.db2.gz	BLSLMCDJIGAMDC-UHFFFAOYSA-N	0	0	598.527	3.183	50	0		KGAARN
CC(C)OCCCNc1ccc(S(=O)(=O)N2CCOCC2)cc1NS(=O)(=O)c1ccc(Cl)cc1	ZINC000102922418	555147403	/nfs/dbraw/zinc/14/74/03/555147403.db2.gz	BTQPTYJARDUETG-UHFFFAOYSA-N	0	0	532.084	3.389	50	0		KGAARN
CCCN(CC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)S(=O)(=O)c1ccc(Cl)c(Cl)c1	ZINC000102922952	555147628	/nfs/dbraw/zinc/14/76/28/555147628.db2.gz	XPBYVKOTYMQKGE-UHFFFAOYSA-N	0	0	550.486	3.054	50	0		KGAARN
O=C(/C=C\c1ccc2c(c1)OCO2)O[C@H](C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccccc1	ZINC000102923237	1059657442	/nfs/dbraw/zinc/65/74/42/1059657442.db2.gz	OEZHDMHYUIUMAN-PBQNMRGSSA-N	0	0	550.589	3.373	50	0		KGAARN
O=C(/C=C/c1ccc2c(c1)OCO2)O[C@H](C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccccc1	ZINC000102923240	555147845	/nfs/dbraw/zinc/14/78/45/555147845.db2.gz	OEZHDMHYUIUMAN-GMTSLGDESA-N	0	0	550.589	3.373	50	0		KGAARN
O=C(/C=C\c1ccc2c(c1)OCO2)O[C@@H](C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccccc1	ZINC000102923243	1059657285	/nfs/dbraw/zinc/65/72/85/1059657285.db2.gz	OEZHDMHYUIUMAN-LHHNTRFESA-N	0	0	550.589	3.373	50	0		KGAARN
O=C(/C=C/c1ccc2c(c1)OCO2)O[C@@H](C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccccc1	ZINC000102923244	555147855	/nfs/dbraw/zinc/14/78/55/555147855.db2.gz	OEZHDMHYUIUMAN-GYBKLEMWSA-N	0	0	550.589	3.373	50	0		KGAARN
CC1CCN(S(=O)(=O)c2cc(Br)cc(C(=O)OCC(=O)N3CC(=O)Nc4ccccc43)c2)CC1	ZINC000102923470	555148130	/nfs/dbraw/zinc/14/81/30/555148130.db2.gz	YEIFVSHGDDWONU-UHFFFAOYSA-N	0	0	550.431	3.012	50	0		KGAARN
CC1CCN(S(=O)(=O)c2cc(Br)cc(C(=O)OCC(=O)c3ccc4c(c3)NC(=O)CO4)c2)CC1	ZINC000102923491	555148115	/nfs/dbraw/zinc/14/81/15/555148115.db2.gz	GDTXPQNCHNSCHG-UHFFFAOYSA-N	0	0	551.415	3.240	50	0		KGAARN
COc1ccc(NC(=S)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)c(S(=O)(=O)N2CCCCC2)c1	ZINC000102924854	555148941	/nfs/dbraw/zinc/14/89/41/555148941.db2.gz	UHBKRJRCIYXCHL-UHFFFAOYSA-N	0	0	589.161	3.353	50	0		KGAARN
NS(=O)(=O)c1ccc(NC=C2c3ccccc3C(=O)N(c3cc(Cl)ccc3N3CCOCC3)C2=O)cc1	ZINC000102926514	1059657384	/nfs/dbraw/zinc/65/73/84/1059657384.db2.gz	NCPSRTPOWRGYEX-CJLVFECKSA-N	0	0	539.013	3.464	50	0		KGAARN
NS(=O)(=O)c1ccc(NC=C2c3ccccc3C(=O)N(c3cc(Cl)ccc3N3CCOCC3)C2=O)cc1	ZINC000102926517	555151155	/nfs/dbraw/zinc/15/11/55/555151155.db2.gz	NCPSRTPOWRGYEX-JWGURIENSA-N	0	0	539.013	3.464	50	0		KGAARN
NS(=O)(=O)c1cccc(NS(=O)(=O)c2ccc(C=CC(=O)OCC(=O)c3ccc(OC(F)F)cc3)cc2)c1	ZINC000102926694	1059657488	/nfs/dbraw/zinc/65/74/88/1059657488.db2.gz	CPQZYLNMDMYCLL-MLPAPPSSSA-N	0	0	566.560	3.176	50	0		KGAARN
NS(=O)(=O)c1cccc(NS(=O)(=O)c2ccc(C=CC(=O)OCC(=O)c3ccc(OC(F)F)cc3)cc2)c1	ZINC000102926696	555151367	/nfs/dbraw/zinc/15/13/67/555151367.db2.gz	CPQZYLNMDMYCLL-AWNIVKPZSA-N	0	0	566.560	3.176	50	0		KGAARN
O=C(O[C@H](C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccccc1)c1ccc(S(=O)(=O)N2CCCC2)cc1	ZINC000102926863	555151443	/nfs/dbraw/zinc/15/14/43/555151443.db2.gz	QTXMYNKXXORDMM-MHZLTWQESA-N	0	0	613.714	3.029	50	0		KGAARN
O=C(O[C@@H](C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccccc1)c1ccc(S(=O)(=O)N2CCCC2)cc1	ZINC000102926865	555151362	/nfs/dbraw/zinc/15/13/62/555151362.db2.gz	QTXMYNKXXORDMM-HHHXNRCGSA-N	0	0	613.714	3.029	50	0		KGAARN
COCCNc1sc(C(=O)Nc2sc3c(c2C(=O)OC)CCCC3)c(N)c1C(=O)NC1CCCCC1	ZINC000102927149	555151915	/nfs/dbraw/zinc/15/19/15/555151915.db2.gz	MRENASWWNXDANX-HXUWFJFHSA-N	0	0	534.704	3.384	50	0		KGAARN
COCCNc1sc(C(=O)Nc2sc3c(c2C(=O)OC)CCCC3)c(N)c1C(=O)NC1CCCCC1	ZINC000102927151	555151911	/nfs/dbraw/zinc/15/19/11/555151911.db2.gz	MRENASWWNXDANX-FQEVSTJZSA-N	0	0	534.704	3.384	50	0		KGAARN
COc1ccc(CCN2C[C@H](C(=O)OCC(=O)N[C@@H](C)c3ccc(Br)cc3)CC2=O)cc1OC	ZINC000102928461	555153979	/nfs/dbraw/zinc/15/39/79/555153979.db2.gz	TXNKQYMBOYSMNC-QFBILLFUSA-N	0	0	533.419	3.278	50	0		KGAARN
COc1ccc(CCN2C[C@H](C(=O)OCC(=O)N[C@H](C)c3ccc(Br)cc3)CC2=O)cc1OC	ZINC000102928464	555153963	/nfs/dbraw/zinc/15/39/63/555153963.db2.gz	TXNKQYMBOYSMNC-VQIMIIECSA-N	0	0	533.419	3.278	50	0		KGAARN
COc1ccc(CCN2C[C@@H](C(=O)OCC(=O)N[C@@H](C)c3ccc(Br)cc3)CC2=O)cc1OC	ZINC000102928466	555154026	/nfs/dbraw/zinc/15/40/26/555154026.db2.gz	TXNKQYMBOYSMNC-LPHOPBHVSA-N	0	0	533.419	3.278	50	0		KGAARN
COc1ccc(CCN2C[C@@H](C(=O)OCC(=O)N[C@H](C)c3ccc(Br)cc3)CC2=O)cc1OC	ZINC000102928467	555153958	/nfs/dbraw/zinc/15/39/58/555153958.db2.gz	TXNKQYMBOYSMNC-APWZRJJASA-N	0	0	533.419	3.278	50	0		KGAARN
Cc1ccc(NC(=O)COc2ccc(N(C)C(=O)c3cccs3)cc2)cc1S(=O)(=O)N1CCOCC1	ZINC000102928599	555154182	/nfs/dbraw/zinc/15/41/82/555154182.db2.gz	UHXCSQIDPJCELI-UHFFFAOYSA-N	0	0	529.640	3.372	50	0		KGAARN
CCOc1cc(C(=O)NC(=S)Nc2cccc(S(=O)(=O)NC3=NCCC3)c2)cc(OCC)c1OCC	ZINC000102929535	555155269	/nfs/dbraw/zinc/15/52/69/555155269.db2.gz	DHKQHQFJAFFHDT-UHFFFAOYSA-N	0	0	534.660	3.480	50	0		KGAARN
COc1ccc(NS(=O)(=O)c2cccc(NC(=S)NC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)c2)cc1	ZINC000102929558	555155313	/nfs/dbraw/zinc/15/53/13/555155313.db2.gz	QXAMJXUHJGRATB-UHFFFAOYSA-N	0	0	574.706	3.407	50	0		KGAARN
CCc1ccc(NC(=O)[C@@H](C)OC(=O)/C=C\c2ccc(S(=O)(=O)Nc3cccc(S(N)(=O)=O)c3)cc2)cc1	ZINC000102929900	1059657462	/nfs/dbraw/zinc/65/74/62/1059657462.db2.gz	NPOBUOARNCVRAY-MUMAZLPKSA-N	0	0	557.650	3.281	50	0		KGAARN
CCc1ccc(NC(=O)[C@@H](C)OC(=O)/C=C/c2ccc(S(=O)(=O)Nc3cccc(S(N)(=O)=O)c3)cc2)cc1	ZINC000102929901	555156256	/nfs/dbraw/zinc/15/62/56/555156256.db2.gz	NPOBUOARNCVRAY-QIPHDZALSA-N	0	0	557.650	3.281	50	0		KGAARN
CCc1ccc(NC(=O)[C@H](C)OC(=O)/C=C\c2ccc(S(=O)(=O)Nc3cccc(S(N)(=O)=O)c3)cc2)cc1	ZINC000102929902	1059657328	/nfs/dbraw/zinc/65/73/28/1059657328.db2.gz	NPOBUOARNCVRAY-QMJOVRGKSA-N	0	0	557.650	3.281	50	0		KGAARN
CCc1ccc(NC(=O)[C@H](C)OC(=O)/C=C/c2ccc(S(=O)(=O)Nc3cccc(S(N)(=O)=O)c3)cc2)cc1	ZINC000102929906	555156111	/nfs/dbraw/zinc/15/61/11/555156111.db2.gz	NPOBUOARNCVRAY-FYXHJSOBSA-N	0	0	557.650	3.281	50	0		KGAARN
c1ccc(N=P(c2ccc(N3CCOCC3)cc2N2CCOCC2)(N2CCOCC2)N2CCOCC2)cc1	ZINC000102930056	555156515	/nfs/dbraw/zinc/15/65/15/555156515.db2.gz	AUYXKNSANKSRAE-UHFFFAOYSA-N	0	0	541.633	3.012	50	0		KGAARN
CN1CCN(C(=O)c2c(N)c(C(=O)Nc3ccccc3Br)sc2NCc2ccccc2)CC1	ZINC000102930512	555157307	/nfs/dbraw/zinc/15/73/07/555157307.db2.gz	KDYGSSFQFSSUBP-NRFANRHFSA-N	0	0	528.476	3.298	50	0		KGAARN
CN1CCN(C(=O)c2c(N)c(C(=O)Nc3ccccc3Br)sc2NCc2ccccc2)CC1	ZINC000102930517	555157396	/nfs/dbraw/zinc/15/73/96/555157396.db2.gz	KDYGSSFQFSSUBP-OAQYLSRUSA-N	0	0	528.476	3.298	50	0		KGAARN
O=C(CCCN1C(=O)c2ccccc2C1=O)NCc1cccc(CNC(=O)CCCN2C(=O)c3ccccc3C2=O)c1	ZINC000102930699	555157666	/nfs/dbraw/zinc/15/76/66/555157666.db2.gz	WAVIIXHJEUTQRU-UHFFFAOYSA-N	0	0	566.614	3.072	50	0		KGAARN
O=C(OCCOC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1)c1cccc(S(=O)(=O)N2CCCCC2)c1	ZINC000102930743	555157597	/nfs/dbraw/zinc/15/75/97/555157597.db2.gz	RTUBVFKBTPCKRI-UHFFFAOYSA-N	0	0	564.682	3.050	50	0		KGAARN
COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)COC(=O)Cc2ccc(S(=O)(=O)N3CCOCC3)s2)cc1	ZINC000102931233	555158649	/nfs/dbraw/zinc/15/86/49/555158649.db2.gz	ONLSXFUISAFPHQ-VWLOTQADSA-N	0	0	583.688	3.241	50	0		KGAARN
COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)COC(=O)Cc2ccc(S(=O)(=O)N3CCOCC3)s2)cc1	ZINC000102931234	555158522	/nfs/dbraw/zinc/15/85/22/555158522.db2.gz	ONLSXFUISAFPHQ-RUZDIDTESA-N	0	0	583.688	3.241	50	0		KGAARN
Cc1ccc(NC=C2C(=O)N(c3nccs3)C(=O)c3ccccc32)cc1S(=O)(=O)N1CCOCC1	ZINC000102931492	555159217	/nfs/dbraw/zinc/15/92/17/555159217.db2.gz	MPMWTCFBVSSYGT-HMMYKYKNSA-N	0	0	510.597	3.112	50	0		KGAARN
COC(Cn1c(SCC(=O)Nc2ccc(Br)cc2)nnc1-c1cccc(S(=O)(=O)N2CCOCC2)c1)OC	ZINC000102931586	555159235	/nfs/dbraw/zinc/15/92/35/555159235.db2.gz	PMCWFXIAEQJMCY-UHFFFAOYSA-N	0	0	626.555	3.078	50	0		KGAARN
Cc1ccc(NC(=O)C(=O)Nc2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)cc1S(=O)(=O)N1CCCCC1	ZINC000102932448	555160033	/nfs/dbraw/zinc/16/00/33/555160033.db2.gz	IBRUFDHSVQZIBF-UHFFFAOYSA-N	0	0	562.714	3.230	50	0		KGAARN
CCOC(=O)c1c(Cc2ccc3c(c2)OCO3)c(C)sc1NC(=O)COC(=O)CNC(=O)c1ccccc1	ZINC000102933789	555161024	/nfs/dbraw/zinc/16/10/24/555161024.db2.gz	UIQZMABZWRTLAN-UHFFFAOYSA-N	0	0	538.578	3.464	50	0		KGAARN
CCS(=O)(=O)c1ccc2oc(SCC(=O)Nc3cc(S(=O)(=O)N4CCOCC4)ccc3Cl)nc2c1	ZINC000102934847	555161943	/nfs/dbraw/zinc/16/19/43/555161943.db2.gz	GKRMBVHJTBQULZ-UHFFFAOYSA-N	0	0	560.075	3.027	50	0		KGAARN
CCCCNS(=O)(=O)c1ccc(NC(=S)NC(=O)c2ccco2)c(NC(=S)NC(=O)c2ccco2)c1	ZINC000102935728	555163128	/nfs/dbraw/zinc/16/31/28/555163128.db2.gz	CXUCAYPOEDLMSP-UHFFFAOYSA-N	0	0	549.656	3.205	50	0		KGAARN
O=C(Nc1cc(S(=O)(=O)N2CCCCC2)ccc1O)[C@H]1Cc2ccccc2CN1S(=O)(=O)c1cccs1	ZINC000102935751	555163169	/nfs/dbraw/zinc/16/31/69/555163169.db2.gz	QJISYHIFCKMABH-JOCHJYFZSA-N	0	0	561.707	3.383	50	0		KGAARN
O=C(Nc1cc(S(=O)(=O)N2CCCCC2)ccc1O)[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1cccs1	ZINC000102935753	555163204	/nfs/dbraw/zinc/16/32/04/555163204.db2.gz	QJISYHIFCKMABH-QFIPXVFZSA-N	0	0	561.707	3.383	50	0		KGAARN
O=C(Nc1ccc(N2CCN(c3ccccc3F)CC2)c(S(=O)(=O)NCCN2CCOCC2)c1)c1ccccc1F	ZINC000102936342	555163972	/nfs/dbraw/zinc/16/39/72/555163972.db2.gz	NVIUVHCUMNQWBZ-UHFFFAOYSA-N	0	0	585.677	3.154	50	0		KGAARN
Cc1ccccc1C(=O)Nc1ccc(N2CCN(c3ccccc3F)CC2)c(S(=O)(=O)NCCN2CCOCC2)c1	ZINC000102936426	555164250	/nfs/dbraw/zinc/16/42/50/555164250.db2.gz	ZVSIJFATUYPLLB-UHFFFAOYSA-N	0	0	581.714	3.324	50	0		KGAARN
O=C(Cc1cccs1)Nc1ccc(N2CCN(c3ccccc3F)CC2)c(S(=O)(=O)NCCN2CCOCC2)c1	ZINC000102936447	555164210	/nfs/dbraw/zinc/16/42/10/555164210.db2.gz	RWRCDTOFXIJEOF-UHFFFAOYSA-N	0	0	587.743	3.006	50	0		KGAARN
O=C(CCc1ccccc1)Nc1ccc(N2CCN(c3ccccc3F)CC2)c(S(=O)(=O)NCCN2CCOCC2)c1	ZINC000102936457	555164243	/nfs/dbraw/zinc/16/42/43/555164243.db2.gz	MXOIQLDZHMBAMW-UHFFFAOYSA-N	0	0	595.741	3.334	50	0		KGAARN
O=C(Nc1ccc(N2CCN(c3ccccc3F)CC2)c(S(=O)(=O)NCCN2CCOCC2)c1)C1CCCCC1	ZINC000102937556	555165458	/nfs/dbraw/zinc/16/54/58/555165458.db2.gz	IBLSPIBMIIDEGO-UHFFFAOYSA-N	0	0	573.735	3.282	50	0		KGAARN
O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1O)c1cccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c1	ZINC000102938023	555166136	/nfs/dbraw/zinc/16/61/36/555166136.db2.gz	XAOXIGZFLYYAKN-UHFFFAOYSA-N	0	0	585.582	3.485	50	0		KGAARN
Cc1ccc(-c2ccccc2C(=O)OCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCOCC2)cc1	ZINC000102938518	555167012	/nfs/dbraw/zinc/16/70/12/555167012.db2.gz	QJTHXGRJQWRZHV-UHFFFAOYSA-N	0	0	579.675	3.315	50	0		KGAARN
Cc1cccnc1N(C(=O)c1cccc(S(=O)(=O)N2CCCC2)c1)C(=O)c1cccc(S(=O)(=O)N2CCCC2)c1	ZINC000102939272	555167804	/nfs/dbraw/zinc/16/78/04/555167804.db2.gz	MVKYPDJFMZUOST-UHFFFAOYSA-N	0	0	582.704	3.446	50	0		KGAARN
O=C(CCCC(=O)OC1CSCCOCCOCCSC1)OC1CSCCOCCOCCSC1	ZINC000102939396	555168031	/nfs/dbraw/zinc/16/80/31/555168031.db2.gz	FFJJOMAURYKSNZ-UHFFFAOYSA-N	0	0	572.833	3.007	50	0		KGAARN
O=C(Nc1cccc(NC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)n1)c1cccc(S(=O)(=O)N2CCCC2)c1	ZINC000102939421	555168084	/nfs/dbraw/zinc/16/80/84/555168084.db2.gz	NIQITYNCOMHUKX-UHFFFAOYSA-N	0	0	583.692	3.155	50	0		KGAARN
CCN(CC)c1ccc(C(=O)NCCOC(=O)c2cc(S(=O)(=O)N3CCOCC3)c(Cl)cc2Cl)cc1	ZINC000102939701	555168260	/nfs/dbraw/zinc/16/82/60/555168260.db2.gz	UTABELXJHLDEPX-UHFFFAOYSA-N	0	0	558.484	3.447	50	0		KGAARN
N=C(NC(=O)C(=Cc1cccc(Br)c1)NC(=O)c1ccccc1)Nc1ccc(S(N)(=O)=O)cc1	ZINC000102944854	555171480	/nfs/dbraw/zinc/17/14/80/555171480.db2.gz	GNNVAHNUJQXATC-XSFVSMFZSA-N	0	0	542.415	3.030	50	0		KGAARN
CCN(CC)S(=O)(=O)c1ccc(C(=O)N(C(=O)c2ccc(S(=O)(=O)N(CC)CC)cc2)c2ncccn2)cc1	ZINC000102946868	555171921	/nfs/dbraw/zinc/17/19/21/555171921.db2.gz	XWMNXXCUPQNDRV-UHFFFAOYSA-N	0	0	573.697	3.025	50	0		KGAARN
CCCS(=O)(=O)N(CCOC)CC(=O)N(Cc1ccc(Cl)cc1)C1CCN(S(=O)(=O)c2ccccc2)CC1	ZINC000102949875	555172678	/nfs/dbraw/zinc/17/26/78/555172678.db2.gz	MQXYTABPJFJMEM-UHFFFAOYSA-N	0	0	586.176	3.210	50	0		KGAARN
CCS(=O)(=O)N(CC(=O)N(Cc1ccc(OC)cc1)C1CCN(S(=O)(=O)CC)CC1)CC1CCCCC1	ZINC000102950302	555173006	/nfs/dbraw/zinc/17/30/06/555173006.db2.gz	RNEPJKZQNAETAB-UHFFFAOYSA-N	0	0	557.779	3.070	50	0		KGAARN
CCCS(=O)(=O)N(CCOC)CC(=O)N(Cc1ccc(Cl)cc1)C1CCN(S(=O)(=O)Cc2ccccc2)CC1	ZINC000102950469	555172986	/nfs/dbraw/zinc/17/29/86/555172986.db2.gz	WMMGEKJTWBMVIY-UHFFFAOYSA-N	0	0	600.203	3.351	50	0		KGAARN
CCS(=O)(=O)N(CCOC)CC(=O)N(Cc1cccc(F)c1)C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1	ZINC000102950507	555172990	/nfs/dbraw/zinc/17/29/90/555172990.db2.gz	DZSGQCKYGATCJK-UHFFFAOYSA-N	0	0	605.754	3.459	50	0		KGAARN
CCS(=O)(=O)N(CC(=O)N(Cc1ccc(C)cc1)C1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1)CC(C)C	ZINC000102950528	555173045	/nfs/dbraw/zinc/17/30/45/555173045.db2.gz	ZPWWWURIAMTKON-UHFFFAOYSA-N	0	0	579.785	3.493	50	0		KGAARN
COCCN(CC(=O)Nc1nc(CC(=O)N2CCN(c3ccccc3OC)CC2)cs1)C(=O)C1CCCCC1	ZINC000102954887	555173426	/nfs/dbraw/zinc/17/34/26/555173426.db2.gz	JRFXORWHDUEDJB-UHFFFAOYSA-N	0	0	557.717	3.037	50	0		KGAARN
COc1ccc(C(=O)N(CC(=O)Nc2nc(CC(=O)N3CCN(c4ccccc4OC)CC3)cs2)C2CC2)cc1	ZINC000102954889	555173479	/nfs/dbraw/zinc/17/34/79/555173479.db2.gz	VYYJUAYZIMYVGK-UHFFFAOYSA-N	0	0	563.680	3.295	50	0		KGAARN
CCOc1ccccc1N1CCN(C(=O)Cc2csc(NC(=O)CN(CCOC)C(=O)C3CCCCC3)n2)CC1	ZINC000102954895	555173462	/nfs/dbraw/zinc/17/34/62/555173462.db2.gz	SORFBCVYFLUQPX-UHFFFAOYSA-N	0	0	571.744	3.427	50	0		KGAARN
CCOc1ccccc1N1CCN(C(=O)c2cc(S(=O)(=O)N3CCOCC3)c(Cl)cc2Cl)CC1	ZINC000102955423	555173625	/nfs/dbraw/zinc/17/36/25/555173625.db2.gz	DHBSMLMMBNYQTF-UHFFFAOYSA-N	0	0	528.458	3.375	50	0		KGAARN
CC(C)CN(C(=O)COC(=O)C=Cc1nc2ccccc2s1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	ZINC000102956211	555173992	/nfs/dbraw/zinc/17/39/92/555173992.db2.gz	KUCHSMFPFMJSAB-SEYXRHQNSA-N	0	0	533.610	3.022	50	0		KGAARN
CC(C)CN(C(=O)COC(=O)CCC(=O)c1ccc(Cl)s1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	ZINC000102956715	555173949	/nfs/dbraw/zinc/17/39/49/555173949.db2.gz	CLPVRSHHKDSNNS-UHFFFAOYSA-N	0	0	547.033	3.077	50	0		KGAARN
CCCCCc1ccc(C(=O)CCC(=O)OCC(=O)N(C)c2c(N)n(Cc3ccccc3)c(=O)[nH]c2=O)cc1	ZINC000102956733	555173964	/nfs/dbraw/zinc/17/39/64/555173964.db2.gz	JDQAARMVJNTSQH-UHFFFAOYSA-N	0	0	534.613	3.069	50	0		KGAARN
CN(c1ccc(OCC(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1)S(=O)(=O)c1ccc(F)cc1	ZINC000102956868	555174195	/nfs/dbraw/zinc/17/41/95/555174195.db2.gz	BXLKNGILEDEVHG-UHFFFAOYSA-N	0	0	547.630	3.453	50	0		KGAARN
O=C(/C=C\c1ccc(S(=O)(=O)N2CCOCC2)cc1)NC(=S)Nc1nnc(SCc2ccccc2)s1	ZINC000102957507	1059121822	/nfs/dbraw/zinc/12/18/22/1059121822.db2.gz	UTERAZVGAVEJIA-FLIBITNWSA-N	0	0	561.736	3.378	50	0		KGAARN
COc1ccc(-c2csc(NC(=S)NC(=O)C=Cc3ccc(S(=O)(=O)N4CCOCC4)cc3)n2)cc1	ZINC000102957512	1059122976	/nfs/dbraw/zinc/12/29/76/1059122976.db2.gz	MPBKKGRNPYVEKY-WCIBSUBMSA-N	0	0	544.680	3.366	50	0		KGAARN
Cc1cc(NC(=S)NC(=O)C=Cc2ccc(S(=O)(=O)N3CCOCC3)cc2)ccc1Br	ZINC000102957521	1059122983	/nfs/dbraw/zinc/12/29/83/1059122983.db2.gz	OLNNQWPGUSFGCB-WTKPLQERSA-N	0	0	524.462	3.305	50	0		KGAARN
CCOc1ccc2nc(NC(=S)NC(=O)C=Cc3ccc(S(=O)(=O)N4CCOCC4)cc3)sc2c1	ZINC000102957524	1059123029	/nfs/dbraw/zinc/12/30/29/1059123029.db2.gz	HJDSOVXZCGTKAF-YHYXMXQVSA-N	0	0	532.669	3.242	50	0		KGAARN
O=C(/C=C\C(=O)OCC(=O)Nc1ccc(Br)cc1)OCC(=O)Nc1ccc(Br)cc1	ZINC000102958304	1059122962	/nfs/dbraw/zinc/12/29/62/1059122962.db2.gz	KIXLADKGLJYWPJ-KTKRTIGZSA-N	0	0	540.164	3.431	50	0		KGAARN
O=C(Nc1cccc(S(=O)(=O)NCc2ccco2)c1)c1cccc(S(=O)(=O)NCc2ccccc2)c1	ZINC000102964407	555179914	/nfs/dbraw/zinc/17/99/14/555179914.db2.gz	GWLWUBMTLPQCST-UHFFFAOYSA-N	0	0	525.608	3.489	50	0		KGAARN
O=C(Cn1c(=O)oc2ccccc21)N1CCN(S(=O)(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1	ZINC000102967647	555180339	/nfs/dbraw/zinc/18/03/39/555180339.db2.gz	UMOGPRXLKGOHJJ-UHFFFAOYSA-N	0	0	537.438	3.165	50	0		KGAARN
CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)c2ccc(Cl)c(S(=O)(=O)N(CC)CC)c2)c1	ZINC000102967691	555180344	/nfs/dbraw/zinc/18/03/44/555180344.db2.gz	XOYQQYIAFSZWGM-UHFFFAOYSA-N	0	0	587.164	3.490	50	0		KGAARN
CCN(CC(=O)NCCN1C(=O)SC(=Cc2ccccc2Cl)C1=O)Cc1nc2ccccc2c(=O)[nH]1	ZINC000102968128	555180626	/nfs/dbraw/zinc/18/06/26/555180626.db2.gz	UASMRHMWUGVCTC-DEDYPNTBSA-N	0	0	526.018	3.251	50	0		KGAARN
Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NCCN3C(=O)S/C(=C/c4ccccc4Cl)C3=O)CC2)cc1C	ZINC000102968253	1059122926	/nfs/dbraw/zinc/12/29/26/1059122926.db2.gz	GXAKHGPEVQLCDB-XQNSMLJCSA-N	0	0	577.128	3.116	50	0		KGAARN
CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)c1	ZINC000102968547	555180954	/nfs/dbraw/zinc/18/09/54/555180954.db2.gz	KHOXKRBTHRIQKZ-UHFFFAOYSA-N	0	0	550.486	3.297	50	0		KGAARN
O=C(Nc1cccc(S(=O)(=O)N2CCCCCC2)c1)c1ccc(Br)c(S(=O)(=O)N2CCOCC2)c1	ZINC000102968580	555180970	/nfs/dbraw/zinc/18/09/70/555180970.db2.gz	MNJWZUDSNVUYPA-UHFFFAOYSA-N	0	0	586.530	3.287	50	0		KGAARN
CCCCC(=O)Nc1ccc(N2CCC(C(N)=O)CC2)c(S(=O)(=O)NCCc2ccc(OC)c(OC)c2)c1	ZINC000102971617	555181902	/nfs/dbraw/zinc/18/19/02/555181902.db2.gz	AYYIBCAOVOOJSR-UHFFFAOYSA-N	0	0	546.690	3.055	50	0		KGAARN
CCOc1ccc(NC(=O)C[C@@H]2C(=O)Nc3ccccc3N2S(=O)(=O)c2ccc(CNC(C)=O)cc2)cc1	ZINC000102974709	555184307	/nfs/dbraw/zinc/18/43/07/555184307.db2.gz	WCLUSGCQZMNOJQ-RUZDIDTESA-N	0	0	536.610	3.266	50	0		KGAARN
CCOc1ccc(NC(=O)C[C@H]2C(=O)Nc3ccccc3N2S(=O)(=O)c2ccc(CNC(C)=O)cc2)cc1	ZINC000102974711	555184379	/nfs/dbraw/zinc/18/43/79/555184379.db2.gz	WCLUSGCQZMNOJQ-VWLOTQADSA-N	0	0	536.610	3.266	50	0		KGAARN
C[C@H](OC(=O)c1cn(-c2ccccc2)nc1-c1cccnc1)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1	ZINC000102975332	555185044	/nfs/dbraw/zinc/18/50/44/555185044.db2.gz	LKKAWGHCWKYDAR-FQEVSTJZSA-N	0	0	561.620	3.139	50	0		KGAARN
C[C@@H](OC(=O)c1cn(-c2ccccc2)nc1-c1cccnc1)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1	ZINC000102975333	555185420	/nfs/dbraw/zinc/18/54/20/555185420.db2.gz	LKKAWGHCWKYDAR-HXUWFJFHSA-N	0	0	561.620	3.139	50	0		KGAARN
CCN(CC)S(=O)(=O)c1cccc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)c(Cl)cc2Cl)c1	ZINC000102976405	555186206	/nfs/dbraw/zinc/18/62/06/555186206.db2.gz	QLKHYCRQMBPYNT-UHFFFAOYSA-N	0	0	550.486	3.297	50	0		KGAARN
CCN(CC)c1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)c1ccc(C)c(S(=O)(=O)N2CCOCC2)c1	ZINC000102976490	555186589	/nfs/dbraw/zinc/18/65/89/555186589.db2.gz	VLFIZHMHCFOTGK-UHFFFAOYSA-N	0	0	566.746	3.145	50	0		KGAARN
O=C(Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1)C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1	ZINC000102976819	555186549	/nfs/dbraw/zinc/18/65/49/555186549.db2.gz	ZWQZXFZIJFOGET-UHFFFAOYSA-N	0	0	551.650	3.470	50	0		KGAARN
Cc1c(N(C)S(=O)(=O)c2cccc(C(=O)Nc3ccc(N4CCOCC4)cc3)c2)c(=O)n(-c2ccccc2)n1C	ZINC000102979170	555187072	/nfs/dbraw/zinc/18/70/72/555187072.db2.gz	LOWCIGRRRWSFES-UHFFFAOYSA-N	0	0	561.664	3.398	50	0		KGAARN
CCN(CC)S(=O)(=O)c1cccc(C(=O)NC2CCC(NC(=O)c3cccc(S(=O)(=O)N(CC)CC)c3)CC2)c1	ZINC000102979837	555187479	/nfs/dbraw/zinc/18/74/79/555187479.db2.gz	SOYVMJNMHNYDRV-UHFFFAOYSA-N	0	0	592.784	3.219	50	0		KGAARN
O=C(COC(=O)[C@@H]1CS[C@]2(c3ccc(Br)cc3)CCC(=O)N12)Nc1ccc(N2CCOCC2)cc1	ZINC000102983825	555189715	/nfs/dbraw/zinc/18/97/15/555189715.db2.gz	HKEXOGUMDHHHCR-OFVILXPXSA-N	0	0	560.470	3.358	50	0		KGAARN
O=C(COC(=O)[C@@H]1CS[C@@]2(c3ccc(Br)cc3)CCC(=O)N12)Nc1ccc(N2CCOCC2)cc1	ZINC000102983827	555189676	/nfs/dbraw/zinc/18/96/76/555189676.db2.gz	HKEXOGUMDHHHCR-SQJMNOBHSA-N	0	0	560.470	3.358	50	0		KGAARN
O=C(COC(=O)[C@H]1CS[C@]2(c3ccc(Br)cc3)CCC(=O)N12)Nc1ccc(N2CCOCC2)cc1	ZINC000102983830	555189732	/nfs/dbraw/zinc/18/97/32/555189732.db2.gz	HKEXOGUMDHHHCR-BWKNWUBXSA-N	0	0	560.470	3.358	50	0		KGAARN
O=C(COC(=O)[C@H]1CS[C@@]2(c3ccc(Br)cc3)CCC(=O)N12)Nc1ccc(N2CCOCC2)cc1	ZINC000102983834	555189730	/nfs/dbraw/zinc/18/97/30/555189730.db2.gz	HKEXOGUMDHHHCR-PXDATVDWSA-N	0	0	560.470	3.358	50	0		KGAARN
O=C(CNC(=O)c1sc2ccccc2c1Cl)OCC(=O)N(Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1	ZINC000102986038	555190667	/nfs/dbraw/zinc/19/06/67/555190667.db2.gz	RNEWCZZJQLFFQJ-QGZVFWFLSA-N	0	0	535.043	3.044	50	0		KGAARN
O=C(CNC(=O)c1sc2ccccc2c1Cl)OCC(=O)N(Cc1ccccc1)[C@H]1CCS(=O)(=O)C1	ZINC000102986041	555190673	/nfs/dbraw/zinc/19/06/73/555190673.db2.gz	RNEWCZZJQLFFQJ-KRWDZBQOSA-N	0	0	535.043	3.044	50	0		KGAARN
COc1cc2nc(CN3CCN(S(=O)(=O)c4ccc(Cl)c(C(F)(F)F)c4)CC3)[nH]c(=O)c2cc1OC	ZINC000102986367	555190952	/nfs/dbraw/zinc/19/09/52/555190952.db2.gz	RKAULPVTPIOCMH-UHFFFAOYSA-N	0	0	546.955	3.119	50	0		KGAARN
COc1ccc(N2C(=O)C[C@@H](N3CCN(S(=O)(=O)c4ccc(Cl)c(Cl)c4)CC3)C2=O)cc1Cl	ZINC000102988054	555191354	/nfs/dbraw/zinc/19/13/54/555191354.db2.gz	BQKPKZIOFZYGNL-GOSISDBHSA-N	0	0	532.833	3.294	50	0		KGAARN
COc1ccc(-n2c(SCC(=O)Nc3cccc(S(N)(=O)=O)c3)nnc2-c2ccccc2OC)cc1	ZINC000102988093	555191626	/nfs/dbraw/zinc/19/16/26/555191626.db2.gz	VUOCZHKIVCOYIQ-UHFFFAOYSA-N	0	0	525.612	3.330	50	0		KGAARN
O=C1C[C@@H](N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)C(=O)N1c1ccc(Br)cc1	ZINC000102988133	555191560	/nfs/dbraw/zinc/19/15/60/555191560.db2.gz	YMJZFYIWFQRIAT-JOCHJYFZSA-N	0	0	528.428	3.241	50	0		KGAARN
O=C1C[C@H](N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)C(=O)N1c1ccc(Br)cc1	ZINC000102988135	555191616	/nfs/dbraw/zinc/19/16/16/555191616.db2.gz	YMJZFYIWFQRIAT-QFIPXVFZSA-N	0	0	528.428	3.241	50	0		KGAARN
CCn1c(SCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)nnc1-c1cccc(OC)c1	ZINC000102988238	555191555	/nfs/dbraw/zinc/19/15/55/555191555.db2.gz	YFLMTHXRAFIZIG-UHFFFAOYSA-N	0	0	552.078	3.379	50	0		KGAARN
COc1ccc(CN(C)Cn2nc(-c3cccc(S(=O)(=O)N4CCOCC4)c3)oc2=S)c(OC)c1OC	ZINC000102991175	555192449	/nfs/dbraw/zinc/19/24/49/555192449.db2.gz	JFYLRGOFBMEGGJ-UHFFFAOYSA-N	0	0	550.659	3.009	50	0		KGAARN
O=C1CCCCCN1Cc1nn(CN2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c(=S)n1-c1ccccn1	ZINC000102991424	555192455	/nfs/dbraw/zinc/19/24/55/555192455.db2.gz	UAINWHQRFICVHQ-UHFFFAOYSA-N	0	0	576.148	3.318	50	0		KGAARN
CCOc1ccccc1N1CCN(Cn2nc(-c3cccc(S(=O)(=O)N4CCOCC4)c3)oc2=S)CC1	ZINC000102991830	555192743	/nfs/dbraw/zinc/19/27/43/555192743.db2.gz	XQJMIXWAAPGCOC-UHFFFAOYSA-N	0	0	545.687	3.072	50	0		KGAARN
COc1ccc(NS(=O)(=O)c2ccc(C(=O)N3CCN(S(=O)(=O)/C=C\c4ccccc4)CC3)cc2)cc1	ZINC000102993105	1059136530	/nfs/dbraw/zinc/13/65/30/1059136530.db2.gz	MNCMYKOVQWLJHN-HKWRFOASSA-N	0	0	541.651	3.255	50	0		KGAARN
CCOc1ccc(Br)cc1S(=O)(=O)[N-]c1ccc(C(=O)Nc2cc(C(N)=O)cc(C(N)=O)c2)cc1	ZINC000102993201	555193475	/nfs/dbraw/zinc/19/34/75/555193475.db2.gz	WRQJVUJGYBKNSK-UHFFFAOYSA-N	0	0	561.414	3.099	50	0		KGAARN
COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1	ZINC000102993263	555193656	/nfs/dbraw/zinc/19/36/56/555193656.db2.gz	UJHXKMXNZCWTBN-QHCPKHFHSA-N	0	0	535.578	3.254	50	0		KGAARN
COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc(S(=O)(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1	ZINC000102993273	555193596	/nfs/dbraw/zinc/19/35/96/555193596.db2.gz	SLGLQSDCCKPISY-SANMLTNESA-N	0	0	587.658	3.281	50	0		KGAARN
COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc(S(=O)(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1	ZINC000102993277	555193665	/nfs/dbraw/zinc/19/36/65/555193665.db2.gz	SLGLQSDCCKPISY-AREMUKBSSA-N	0	0	587.658	3.281	50	0		KGAARN
COc1ccc(NS(=O)(=O)c2ccc(/C=C\C(=O)N3CCN(S(=O)(=O)c4ccc(C)cc4)CC3)cc2)cc1	ZINC000102993351	1059137439	/nfs/dbraw/zinc/13/74/39/1059137439.db2.gz	AFSAXNNDIWMGDD-APSNUPSMSA-N	0	0	555.678	3.351	50	0		KGAARN
COc1ccc(S(N)(=O)=O)cc1C(=O)Nc1ccc(OC)c(S(=O)(=O)Nc2cc(C)ccc2Br)c1	ZINC000102993868	555193613	/nfs/dbraw/zinc/19/36/13/555193613.db2.gz	FKRJQVYYJOFGRT-UHFFFAOYSA-N	0	0	584.470	3.475	50	0		KGAARN
COc1ccc(NC(=O)c2ccc(NS(=O)(=O)c3ccc(F)c(F)c3)cc2)cc1S(=O)(=O)N1CCOCC1	ZINC000102994090	555194082	/nfs/dbraw/zinc/19/40/82/555194082.db2.gz	PSLVURIXTVXMLT-UHFFFAOYSA-N	0	0	567.592	3.047	50	0		KGAARN
COc1ccc(NC(=O)CN2C(=O)[C@@H]3CCCC[C@@H]3C2=O)cc1S(=O)(=O)Nc1ccccc1Cl	ZINC000102994115	555194028	/nfs/dbraw/zinc/19/40/28/555194028.db2.gz	QUYCOAFRYYQNME-IYBDPMFKSA-N	0	0	505.980	3.263	50	0		KGAARN
COc1ccc(NC(=O)CN2C(=O)[C@H]3CCCC[C@@H]3C2=O)cc1S(=O)(=O)Nc1ccccc1Cl	ZINC000102994117	555194020	/nfs/dbraw/zinc/19/40/20/555194020.db2.gz	QUYCOAFRYYQNME-HOTGVXAUSA-N	0	0	505.980	3.263	50	0		KGAARN
COc1ccc(S(N)(=O)=O)cc1C(=O)Nc1ccc(OC)c(S(=O)(=O)Nc2ccccc2Cl)c1	ZINC000102994120	555194214	/nfs/dbraw/zinc/19/42/14/555194214.db2.gz	OWOMMVPCTBWENB-UHFFFAOYSA-N	0	0	525.992	3.058	50	0		KGAARN
Cc1ccc(NC(=O)C2CCC(C(=O)Nc3ccc(C)c(S(=O)(=O)N(C)C)c3)CC2)cc1S(=O)(=O)N(C)C	ZINC000102994302	555194545	/nfs/dbraw/zinc/19/45/45/555194545.db2.gz	WTBHFQTVRRHECU-UHFFFAOYSA-N	0	0	564.730	3.188	50	0		KGAARN
COc1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1NC(=O)CNS(=O)(=O)c1ccccc1F	ZINC000102994346	555194523	/nfs/dbraw/zinc/19/45/23/555194523.db2.gz	WGFSMIDZZIWOLX-UHFFFAOYSA-N	0	0	527.983	3.206	50	0		KGAARN
CCC1(CC)NC(=O)N(CC(=O)Nc2cc(S(=O)(=O)Nc3ccc(Br)cc3)ccc2OC)C1=O	ZINC000102994400	555194684	/nfs/dbraw/zinc/19/46/84/555194684.db2.gz	DFGHSEXLKUZIQY-UHFFFAOYSA-N	0	0	553.435	3.308	50	0		KGAARN
CCOc1ccc(NS(=O)(=O)c2ccc(OC)c(NC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)c2)cc1	ZINC000102994440	555194772	/nfs/dbraw/zinc/19/47/72/555194772.db2.gz	KKLOOWSHXJZQNR-UHFFFAOYSA-N	0	0	533.628	3.397	50	0		KGAARN
COc1ccc2cc([C@]3(C)NC(=O)N(CC(=O)N4CCN(S(=O)(=O)c5ccc6ccccc6c5)CC4)C3=O)ccc2c1	ZINC000102994811	555195012	/nfs/dbraw/zinc/19/50/12/555195012.db2.gz	HLNVBHJPRINUTM-HKBQPEDESA-N	0	0	586.670	3.302	50	0		KGAARN
COc1ccc2cc([C@@]3(C)NC(=O)N(CC(=O)N4CCN(S(=O)(=O)c5ccc6ccccc6c5)CC4)C3=O)ccc2c1	ZINC000102994814	555194995	/nfs/dbraw/zinc/19/49/95/555194995.db2.gz	HLNVBHJPRINUTM-WJOKGBTCSA-N	0	0	586.670	3.302	50	0		KGAARN
COc1cc(-c2nnc(SCC(=O)N(Cc3ccccc3)[C@@H]3CCS(=O)(=O)C3)o2)cc(OC)c1OC	ZINC000102995653	555195184	/nfs/dbraw/zinc/19/51/84/555195184.db2.gz	PIPIEBYGWCVUTL-GOSISDBHSA-N	0	0	533.628	3.070	50	0		KGAARN
COc1cc(-c2nnc(SCC(=O)N(Cc3ccccc3)[C@H]3CCS(=O)(=O)C3)o2)cc(OC)c1OC	ZINC000102995657	555195168	/nfs/dbraw/zinc/19/51/68/555195168.db2.gz	PIPIEBYGWCVUTL-SFHVURJKSA-N	0	0	533.628	3.070	50	0		KGAARN
CC(=O)N1CCN(C(=O)c2ccc(CSc3nc(C)cc(N4CCN(Cc5ccc6c(c5)OCO6)CC4)n3)o2)CC1	ZINC000102996018	555195419	/nfs/dbraw/zinc/19/54/19/555195419.db2.gz	UWGQBXVWEPBFRT-UHFFFAOYSA-N	0	0	578.695	3.026	50	0		KGAARN
O=C(CNS(=O)(=O)c1ccccc1F)Nc1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1N1CCOCC1	ZINC000102996347	555195934	/nfs/dbraw/zinc/19/59/34/555195934.db2.gz	YKPPIAVKDLNWTC-UHFFFAOYSA-N	0	0	583.063	3.034	50	0		KGAARN
CCOc1ccc(NS(=O)(=O)c2cccc(C(=O)Nc3cc(S(=O)(=O)N4CCOCC4)ccc3C)c2)cc1	ZINC000102996629	555196565	/nfs/dbraw/zinc/19/65/65/555196565.db2.gz	BWDJFZXLSLQZCF-UHFFFAOYSA-N	0	0	559.666	3.468	50	0		KGAARN
Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1	ZINC000102996634	555196411	/nfs/dbraw/zinc/19/64/11/555196411.db2.gz	XDSPWASOHYASQN-UHFFFAOYSA-N	0	0	551.593	3.347	50	0		KGAARN
Cc1ccc(NS(=O)(=O)c2ccc(C(=O)Nc3cc(S(=O)(=O)N4CCOCC4)ccc3C)cc2)cc1	ZINC000102996638	555196449	/nfs/dbraw/zinc/19/64/49/555196449.db2.gz	KVYARZXWRXIAHA-UHFFFAOYSA-N	0	0	529.640	3.377	50	0		KGAARN
Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1cccc(S(=O)(=O)Nc2ccccc2F)c1	ZINC000102996660	555196508	/nfs/dbraw/zinc/19/65/08/555196508.db2.gz	UWIJNJNFHJSQGK-UHFFFAOYSA-N	0	0	533.603	3.208	50	0		KGAARN
COc1ccc(C(=O)NCC(=O)Nc2ccc(N3CCOCC3)c(S(=O)(=O)Nc3ccccc3Cl)c2)cc1	ZINC000102996684	555196454	/nfs/dbraw/zinc/19/64/54/555196454.db2.gz	JKJOSNZYUQWQMM-UHFFFAOYSA-N	0	0	559.044	3.355	50	0		KGAARN
CCN(CC)c1ccc(NC(=O)CNS(=O)(=O)c2ccccc2F)cc1S(=O)(=O)Nc1ccc(OC)cc1	ZINC000102996704	555196436	/nfs/dbraw/zinc/19/64/36/555196436.db2.gz	DJXUCAKPJYYGKE-UHFFFAOYSA-N	0	0	564.661	3.398	50	0		KGAARN
CCN(CC)C(=O)c1cccc(NC(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c1	ZINC000102997179	555196702	/nfs/dbraw/zinc/19/67/02/555196702.db2.gz	SCOHPFSBQMGLQN-UHFFFAOYSA-N	0	0	535.066	3.074	50	0		KGAARN
Cc1c(NS(=O)(=O)c2cccc(C(=O)Nc3ccc(Cl)c(S(=O)(=O)N(C)C)c3)c2)c(=O)n(-c2ccccc2)n1C	ZINC000102998228	555197473	/nfs/dbraw/zinc/19/74/73/555197473.db2.gz	RPWNXKRWFTXGNM-UHFFFAOYSA-N	0	0	604.110	3.441	50	0		KGAARN
Cc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)Nc3cc(S(=O)(=O)N4CCOCC4)ccc3N3CCOCC3)c2)cc1	ZINC000102998743	555198087	/nfs/dbraw/zinc/19/80/87/555198087.db2.gz	CQMZOFUALZXFSH-UHFFFAOYSA-N	0	0	614.746	3.214	50	0		KGAARN
CCOc1ccc(S(=O)(=O)NCCC(=O)Nc2ccc(S(=O)(=O)Nc3ccc(OC)cc3)cc2)cc1	ZINC000103000404	555200091	/nfs/dbraw/zinc/20/00/91/555200091.db2.gz	RCAQTLXWMKNZCV-UHFFFAOYSA-N	0	0	533.628	3.202	50	0		KGAARN
COc1ccc(NS(=O)(=O)c2ccc(NC(=O)CCc3ccc(S(=O)(=O)N4CCOCC4)cc3)cc2)cc1	ZINC000103000407	555200094	/nfs/dbraw/zinc/20/00/94/555200094.db2.gz	JTHSWFZGSCTMDP-UHFFFAOYSA-N	0	0	559.666	3.088	50	0		KGAARN
CCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)CCc3ccc(S(=O)(=O)N4CCOCC4)cc3)cc2)cc1	ZINC000103000427	555200061	/nfs/dbraw/zinc/20/00/61/555200061.db2.gz	KFGBXTJPCSRVBR-UHFFFAOYSA-N	0	0	573.693	3.478	50	0		KGAARN
COc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3cccc(Cl)c3)cc2)cc1S(=O)(=O)N1CCOCC1	ZINC000103000444	555200016	/nfs/dbraw/zinc/20/00/16/555200016.db2.gz	QESZLFURGMTUAI-UHFFFAOYSA-N	0	0	566.057	3.423	50	0		KGAARN
C[C@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)Nc1cccc(S(=O)(=O)NCc2ccco2)c1	ZINC000103000978	555200931	/nfs/dbraw/zinc/20/09/31/555200931.db2.gz	UEPKOWIUYADOIV-AWEZNQCLSA-N	0	0	531.534	3.082	50	0		KGAARN
C[C@@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)Nc1cccc(S(=O)(=O)NCc2ccco2)c1	ZINC000103000983	555201027	/nfs/dbraw/zinc/20/10/27/555201027.db2.gz	UEPKOWIUYADOIV-CQSZACIVSA-N	0	0	531.534	3.082	50	0		KGAARN
O=C(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1	ZINC000103001005	555200977	/nfs/dbraw/zinc/20/09/77/555200977.db2.gz	KAYANRDVVVNBTC-UHFFFAOYSA-N	0	0	537.566	3.039	50	0		KGAARN
O=C(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1	ZINC000103001011	555200959	/nfs/dbraw/zinc/20/09/59/555200959.db2.gz	IBAHAFDBYNTPLU-UHFFFAOYSA-N	0	0	536.031	3.414	50	0		KGAARN
O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)[C@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc(F)cc1	ZINC000103001313	555201209	/nfs/dbraw/zinc/20/12/09/555201209.db2.gz	ATQIKEOBTLIUHI-RUZDIDTESA-N	0	0	594.086	3.254	50	0		KGAARN
O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc(F)cc1	ZINC000103001316	555201220	/nfs/dbraw/zinc/20/12/20/555201220.db2.gz	ATQIKEOBTLIUHI-VWLOTQADSA-N	0	0	594.086	3.254	50	0		KGAARN
O=C(CNc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC(F)(F)F)Nc1ccc(F)c(Cl)c1	ZINC000103003214	555202154	/nfs/dbraw/zinc/20/21/54/555202154.db2.gz	SJXXPXCAKXMLAC-UHFFFAOYSA-N	0	0	525.908	3.492	50	0		KGAARN
CC(=O)CCc1ccc(OC[C@H](O)CN2CCN(S(=O)(=O)c3cc(Br)ccc3Br)CC2)cc1	ZINC000103003289	555202141	/nfs/dbraw/zinc/20/21/41/555202141.db2.gz	XOMYULVJAZRGSK-HXUWFJFHSA-N	0	0	604.361	3.479	50	0		KGAARN
CC(=O)CCc1ccc(OC[C@@H](O)CN2CCN(S(=O)(=O)c3cc(Br)ccc3Br)CC2)cc1	ZINC000103003291	555202142	/nfs/dbraw/zinc/20/21/42/555202142.db2.gz	XOMYULVJAZRGSK-FQEVSTJZSA-N	0	0	604.361	3.479	50	0		KGAARN
Cc1ccc(NC=C2c3ccccc3C(=O)N(Cc3ccc4c(c3)OCO4)C2=O)cc1S(=O)(=O)N1CCOCC1	ZINC000103004486	1059077736	/nfs/dbraw/zinc/07/77/36/1059077736.db2.gz	ADMPZVQRLKKJMO-JLPGSUDCSA-N	0	0	561.616	3.380	50	0		KGAARN
CCN(CC)S(=O)(=O)c1cccc(N2C(=O)c3ccccc3C(=CNc3ccc(S(N)(=O)=O)cc3)C2=O)c1	ZINC000103005349	555203383	/nfs/dbraw/zinc/20/33/83/555203383.db2.gz	LBBZKJNXUYTUKF-ULJHMMPZSA-N	0	0	554.650	3.005	50	0		KGAARN
Cc1c(NC=C2c3ccccc3C(=O)N(c3ccc(S(=O)(=O)N4CCOCC4)cc3)C2=O)c(=O)n(-c2ccccc2)n1C	ZINC000103005411	1059077998	/nfs/dbraw/zinc/07/79/98/1059077998.db2.gz	XVISAWVPKYHUNA-OOAXWGSJSA-N	0	0	599.669	3.145	50	0		KGAARN
COc1ccc(CCNC(=O)c2ccccc2NCC(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)cc1	ZINC000103006176	555203893	/nfs/dbraw/zinc/20/38/93/555203893.db2.gz	ACECJBRXYAMGLF-UHFFFAOYSA-N	0	0	587.098	3.393	50	0		KGAARN
O=C(CN1CCN(c2ccc(S(=O)(=O)N3CCCC3)cn2)CC1)Nc1ccc(Cl)c(C(F)(F)F)c1	ZINC000103006266	555203861	/nfs/dbraw/zinc/20/38/61/555203861.db2.gz	PRHORDNQEQSZSD-UHFFFAOYSA-N	0	0	531.988	3.299	50	0		KGAARN
C[C@@H]1CCc2c(sc3nc(CN4CCOCC4)nc(N4CCN(S(=O)(=O)c5cccc(F)c5)CC4)c23)C1	ZINC000103006365	555203888	/nfs/dbraw/zinc/20/38/88/555203888.db2.gz	MJPPTPQNPNMTOT-GOSISDBHSA-N	0	0	545.706	3.298	50	0		KGAARN
C[C@H]1CCc2c(sc3nc(CN4CCOCC4)nc(N4CCN(S(=O)(=O)c5cccc(F)c5)CC4)c23)C1	ZINC000103006367	555203852	/nfs/dbraw/zinc/20/38/52/555203852.db2.gz	MJPPTPQNPNMTOT-SFHVURJKSA-N	0	0	545.706	3.298	50	0		KGAARN
O=S(=O)(c1cccc(F)c1)N1CCN(c2nc(CN3CCOCC3)nc3sc4c(c32)CCCC4)CC1	ZINC000103006369	555203920	/nfs/dbraw/zinc/20/39/20/555203920.db2.gz	QFRIRPFMQMYEIZ-UHFFFAOYSA-N	0	0	531.679	3.052	50	0		KGAARN
CCCN(C(=O)CNc1ccccc1C(=O)Nc1ccc2c(c1)OCCO2)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	ZINC000103006862	555204362	/nfs/dbraw/zinc/20/43/62/555204362.db2.gz	SWAUHBQPBNYIET-UHFFFAOYSA-N	0	0	584.633	3.046	50	0		KGAARN
O=C(CNc1ccccc1C(=O)NCc1ccccc1)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1	ZINC000103006891	555204358	/nfs/dbraw/zinc/20/43/58/555204358.db2.gz	VWXCJBNVFTUZHK-UHFFFAOYSA-N	0	0	543.045	3.342	50	0		KGAARN
COc1ccc(C)cc1NC(=O)CN1CCN(S(=O)(=O)c2cc(Br)ccc2Br)CC1	ZINC000103006918	555204272	/nfs/dbraw/zinc/20/42/72/555204272.db2.gz	PDYSFUKXYFIABB-UHFFFAOYSA-N	0	0	561.296	3.474	50	0		KGAARN
O=C(CN1CCN(S(=O)(=O)/C=C\c2ccccc2)CC1)Nc1cc(C(F)(F)F)ccc1N1CCOCC1	ZINC000103006972	1059077974	/nfs/dbraw/zinc/07/79/74/1059077974.db2.gz	AXYNQGQHFKUGQM-IUXPMGMMSA-N	0	0	538.592	3.099	50	0		KGAARN
COC(=O)c1c2c(sc1NC(=O)CN1CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC1)CCC2	ZINC000103007004	555204676	/nfs/dbraw/zinc/20/46/76/555204676.db2.gz	PGAZRDQVGZIPIN-UHFFFAOYSA-N	0	0	532.471	3.275	50	0		KGAARN
COc1ccc(NC(=O)CNc2ccccc2C(=O)Nc2ccc(F)cc2)cc1S(=O)(=O)N1CCOCC1	ZINC000103007246	555204665	/nfs/dbraw/zinc/20/46/65/555204665.db2.gz	YCVUBRJHYMEVSR-UHFFFAOYSA-N	0	0	542.589	3.158	50	0		KGAARN
CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)O[C@@H](C)C(=O)NC(=O)NC1CCCCC1)n2CC	ZINC000103007583	555204856	/nfs/dbraw/zinc/20/48/56/555204856.db2.gz	YJEDTBAOIBBICS-SFHVURJKSA-N	0	0	549.694	3.110	50	0		KGAARN
CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)O[C@H](C)C(=O)NC(=O)NC1CCCCC1)n2CC	ZINC000103007585	555204870	/nfs/dbraw/zinc/20/48/70/555204870.db2.gz	YJEDTBAOIBBICS-GOSISDBHSA-N	0	0	549.694	3.110	50	0		KGAARN
COc1ccc(NC(=O)COc2ccc(C(=O)O[C@@H](C)C(=O)NCc3ccc4c(c3)OCO4)cc2OC)cc1	ZINC000103007772	555204853	/nfs/dbraw/zinc/20/48/53/555204853.db2.gz	GRBPSAHHQBDHQB-KRWDZBQOSA-N	0	0	536.537	3.312	50	0		KGAARN
COc1ccc(NC(=O)COc2ccc(C(=O)O[C@H](C)C(=O)NCc3ccc4c(c3)OCO4)cc2OC)cc1	ZINC000103007773	555204831	/nfs/dbraw/zinc/20/48/31/555204831.db2.gz	GRBPSAHHQBDHQB-QGZVFWFLSA-N	0	0	536.537	3.312	50	0		KGAARN
COC(=O)c1cc(NC(=O)C2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)cc(C(=O)OC)c1	ZINC000103009405	555205440	/nfs/dbraw/zinc/20/54/40/555205440.db2.gz	WWRFPEJGZAEGGI-UHFFFAOYSA-N	0	0	528.505	3.318	50	0		KGAARN
O=C([C@H]1COc2ccccc2O1)N1CCN(S(=O)(=O)c2c(Cl)cc(Br)cc2Cl)CC1	ZINC000103010540	555205788	/nfs/dbraw/zinc/20/57/88/555205788.db2.gz	ZANGEXFGPULWOL-QGZVFWFLSA-N	0	0	536.231	3.429	50	0		KGAARN
O=C([C@@H]1COc2ccccc2O1)N1CCN(S(=O)(=O)c2c(Cl)cc(Br)cc2Cl)CC1	ZINC000103010542	555205809	/nfs/dbraw/zinc/20/58/09/555205809.db2.gz	ZANGEXFGPULWOL-KRWDZBQOSA-N	0	0	536.231	3.429	50	0		KGAARN
C[C@@H]1CCCN(S(=O)(=O)c2cccc(C(=O)Nc3cc(S(=O)(=O)N4CCCCC4)ccc3N3CCOCC3)c2)C1	ZINC000103010782	555205965	/nfs/dbraw/zinc/20/59/65/555205965.db2.gz	JJWSQBLWYZOPOK-JOCHJYFZSA-N	0	0	590.768	3.371	50	0		KGAARN
C[C@H]1CCCN(S(=O)(=O)c2cccc(C(=O)Nc3cc(S(=O)(=O)N4CCCCC4)ccc3N3CCOCC3)c2)C1	ZINC000103010785	555206001	/nfs/dbraw/zinc/20/60/01/555206001.db2.gz	JJWSQBLWYZOPOK-QFIPXVFZSA-N	0	0	590.768	3.371	50	0		KGAARN
COc1ccc(NS(=O)(=O)c2cc(NC(=O)c3cc(=O)[nH]c4ccccc43)ccc2N2CCOCC2)cc1	ZINC000103011929	555206681	/nfs/dbraw/zinc/20/66/81/555206681.db2.gz	QGUPOWVJSYNRBW-UHFFFAOYSA-N	0	0	534.594	3.426	50	0		KGAARN
COc1ccc(NS(=O)(=O)c2cc(NC(=O)c3sc4[nH]c(C)nc(=O)c4c3C)ccc2N2CCOCC2)cc1	ZINC000103012005	555206730	/nfs/dbraw/zinc/20/67/30/555206730.db2.gz	VYIPGSHXOZPLMO-UHFFFAOYSA-N	0	0	569.665	3.500	50	0		KGAARN
CN(C)S(=O)(=O)c1cc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccccc2C(F)(F)F)ccc1Cl	ZINC000103012071	555206993	/nfs/dbraw/zinc/20/69/93/555206993.db2.gz	HRZIGXYXZYLCEE-INIZCTEOSA-N	0	0	539.985	3.401	50	0		KGAARN
CN(C)S(=O)(=O)c1cc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccccc2C(F)(F)F)ccc1Cl	ZINC000103012074	555207051	/nfs/dbraw/zinc/20/70/51/555207051.db2.gz	HRZIGXYXZYLCEE-MRXNPFEDSA-N	0	0	539.985	3.401	50	0		KGAARN
O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1)c1ccccc1OCc1ccccc1	ZINC000103012275	555207186	/nfs/dbraw/zinc/20/71/86/555207186.db2.gz	SHAKEFLGMOSYGX-UHFFFAOYSA-N	0	0	537.638	3.375	50	0		KGAARN
O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1)C1c2ccccc2Oc2ccccc21	ZINC000103012281	555207198	/nfs/dbraw/zinc/20/71/98/555207198.db2.gz	CANYEGXPPLQUAP-UHFFFAOYSA-N	0	0	535.622	3.420	50	0		KGAARN
COc1cc(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCOCC2)cc(Cl)c1OCC(C)C	ZINC000103012306	555207276	/nfs/dbraw/zinc/20/72/76/555207276.db2.gz	MTCVTGINOTWRGJ-UHFFFAOYSA-N	0	0	568.092	3.493	50	0		KGAARN
Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1	ZINC000103012310	555207254	/nfs/dbraw/zinc/20/72/54/555207254.db2.gz	QMMLZHYNWGIMTI-UHFFFAOYSA-N	0	0	560.076	3.003	50	0		KGAARN
CCN(Cc1ccccc1)S(=O)(=O)c1cc(C(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)ccc1OC	ZINC000103012589	555207242	/nfs/dbraw/zinc/20/72/42/555207242.db2.gz	MFAOZGWLTDNAAA-UHFFFAOYSA-N	0	0	531.656	3.409	50	0		KGAARN
O=C(Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl	ZINC000103013623	555207902	/nfs/dbraw/zinc/20/79/02/555207902.db2.gz	WPWNQAUJAKQVSC-UHFFFAOYSA-N	0	0	562.497	3.441	50	0		KGAARN
O=C(Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1	ZINC000103013662	555207918	/nfs/dbraw/zinc/20/79/18/555207918.db2.gz	FAVVPFKUTOSONM-UHFFFAOYSA-N	0	0	562.069	3.365	50	0		KGAARN
O=C(Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)c1cccc(N2C(=O)c3ccccc3C2=O)c1	ZINC000103013680	555207859	/nfs/dbraw/zinc/20/78/59/555207859.db2.gz	KQSLGZQZTVFXQK-UHFFFAOYSA-N	0	0	525.970	3.414	50	0		KGAARN
CCCCn1c(CCC(=O)Nc2ccc(N3CCOCC3)cc2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	ZINC000103013802	555207995	/nfs/dbraw/zinc/20/79/95/555207995.db2.gz	XIDXIIWHVUKJPS-UHFFFAOYSA-N	0	0	555.701	3.265	50	0		KGAARN
CN1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2NC(=O)Cc2ccc(-c3ccccc3)cc2)CC1	ZINC000103014069	555208034	/nfs/dbraw/zinc/20/80/34/555208034.db2.gz	HVXOCDCPCQMKNF-UHFFFAOYSA-N	0	0	534.682	3.308	50	0		KGAARN
CCN(CC(=O)Nc1cc(C(F)(F)F)ccc1OCCOC)C(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1C	ZINC000103014166	555208281	/nfs/dbraw/zinc/20/82/81/555208281.db2.gz	QAJVZIAHYVYXBF-UHFFFAOYSA-N	0	0	587.617	3.161	50	0		KGAARN
CCN(CC(=O)Nc1c(F)cccc1F)C(=O)CCc1nc2cc(S(=O)(=O)N(CC)CC)ccc2n1C	ZINC000103014522	555208213	/nfs/dbraw/zinc/20/82/13/555208213.db2.gz	VNBVCBOBDIXILV-UHFFFAOYSA-N	0	0	535.617	3.302	50	0		KGAARN
CCN(CC(=O)NCc1ccc(F)cc1)C(=O)C1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1	ZINC000103014545	555208259	/nfs/dbraw/zinc/20/82/59/555208259.db2.gz	LAOXGCVQKCTKRH-UHFFFAOYSA-N	0	0	529.556	3.410	50	0		KGAARN
CCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1	ZINC000103014608	555208567	/nfs/dbraw/zinc/20/85/67/555208567.db2.gz	IYIIKRAXRSDEOQ-UHFFFAOYSA-N	0	0	572.105	3.187	50	0		KGAARN
Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1OC(C)C	ZINC000103014624	555208569	/nfs/dbraw/zinc/20/85/69/555208569.db2.gz	MGPJJKQOIJPXED-UHFFFAOYSA-N	0	0	565.714	3.230	50	0		KGAARN
CCOc1ccc(S(=O)(=O)NCCC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2OC(C)C)cc1	ZINC000103014639	555208533	/nfs/dbraw/zinc/20/85/33/555208533.db2.gz	MAYPQDLKIUNKED-UHFFFAOYSA-N	0	0	553.703	3.354	50	0		KGAARN
CCN(CC(=O)Nc1cc(Cl)ccc1C)C(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1	ZINC000103014685	555208563	/nfs/dbraw/zinc/20/85/63/555208563.db2.gz	JOLCGZYWDNJELG-UHFFFAOYSA-N	0	0	549.093	3.370	50	0		KGAARN
CCN(CC)S(=O)(=O)c1ccc2[nH]c(=O)cc(C(=O)Nc3cccc(S(=O)(=O)N4CCCC4)c3)c2c1	ZINC000103015491	555208950	/nfs/dbraw/zinc/20/89/50/555208950.db2.gz	ACSLPDHKRUEBJI-UHFFFAOYSA-N	0	0	532.644	3.008	50	0		KGAARN
COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1C(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1	ZINC000103015493	555208960	/nfs/dbraw/zinc/20/89/60/555208960.db2.gz	XESIBICZIAKMHX-UHFFFAOYSA-N	0	0	541.651	3.483	50	0		KGAARN
O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl	ZINC000103015595	555208891	/nfs/dbraw/zinc/20/88/91/555208891.db2.gz	MEIMNXQCSKYCLC-UHFFFAOYSA-N	0	0	548.470	3.051	50	0		KGAARN
CCn1cc(C(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)c(=O)c2cc(F)c(N3CCN(C(C)=O)CC3)cc21	ZINC000103015770	555209117	/nfs/dbraw/zinc/20/91/17/555209117.db2.gz	BZRQTLMEASFDGD-UHFFFAOYSA-N	0	0	583.686	3.256	50	0		KGAARN
O=C(Nc1cccc(S(=O)(=O)N2CCCCC2)c1)c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1	ZINC000103015775	555209123	/nfs/dbraw/zinc/20/91/23/555209123.db2.gz	MUPKKMQFHBMHET-UHFFFAOYSA-N	0	0	576.741	3.125	50	0		KGAARN
CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1cc(S(=O)(=O)N2CCN(c3ccccc3)CC2)ccc1Cl	ZINC000103016582	555209644	/nfs/dbraw/zinc/20/96/44/555209644.db2.gz	BJYLHDXZMJOJCG-UHFFFAOYSA-N	0	0	552.056	3.360	50	0		KGAARN
O=C(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccc(Cl)c(S(=O)(=O)N2CCc3ccccc32)c1	ZINC000103017098	555210043	/nfs/dbraw/zinc/21/00/43/555210043.db2.gz	SJLWIOPXIGFVMX-UHFFFAOYSA-N	0	0	562.069	3.365	50	0		KGAARN
COc1ccc(C(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)cc1S(=O)(=O)N1CCCc2ccccc21	ZINC000103017139	555210006	/nfs/dbraw/zinc/21/00/06/555210006.db2.gz	WNVSSSPXOXKCJK-UHFFFAOYSA-N	0	0	571.677	3.110	50	0		KGAARN
CCN(Cc1ccccc1)S(=O)(=O)c1cc(C(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)ccc1OC	ZINC000103017144	555210081	/nfs/dbraw/zinc/21/00/81/555210081.db2.gz	XROZQCOQULGLLG-UHFFFAOYSA-N	0	0	573.693	3.179	50	0		KGAARN
CCOc1ccc(CN2C(=O)c3ccccc3C2=O)cc1C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1	ZINC000103017158	555210068	/nfs/dbraw/zinc/21/00/68/555210068.db2.gz	COGVGMTWHRVEGW-UHFFFAOYSA-N	0	0	549.605	3.155	50	0		KGAARN
COc1cccc(NC(=O)c2ccccc2NC(=O)c2cccc(S(=O)(=O)N3CCN(C(C)=O)CC3)c2)c1	ZINC000103017662	555210339	/nfs/dbraw/zinc/21/03/39/555210339.db2.gz	RZIFZRYMRAZUNB-UHFFFAOYSA-N	0	0	536.610	3.053	50	0		KGAARN
Cc1ccc(NC(=O)COC(=O)[C@@H](CC(C)C)NS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1S(=O)(=O)N(C)C	ZINC000103018030	555210434	/nfs/dbraw/zinc/21/04/34/555210434.db2.gz	ZHNDSSKFOHKEBS-HXUWFJFHSA-N	0	0	593.646	3.139	50	0		KGAARN
Cc1ccc(NC(=O)COC(=O)[C@H](CC(C)C)NS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1S(=O)(=O)N(C)C	ZINC000103018033	555210450	/nfs/dbraw/zinc/21/04/50/555210450.db2.gz	ZHNDSSKFOHKEBS-FQEVSTJZSA-N	0	0	593.646	3.139	50	0		KGAARN
CCOC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)c3cc(OCC)c(OCC)c(OCC)c3)CC2)cc1	ZINC000103019033	555210682	/nfs/dbraw/zinc/21/06/82/555210682.db2.gz	AKDGMVSOEDKQEE-UHFFFAOYSA-N	0	0	534.631	3.206	50	0		KGAARN
Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N(CC(C)C)c3c(N)n(CC(C)C)c(=O)[nH]c3=O)cc2)cc1	ZINC000103019096	555210755	/nfs/dbraw/zinc/21/07/55/555210755.db2.gz	BSKGVHRGTIBASD-UHFFFAOYSA-N	0	0	541.674	3.211	50	0		KGAARN
CC(C)(C)c1ccc(/C=C2/SC(=O)N(CCNC(=O)c3cccc(S(=O)(=O)N4CCOCC4)c3)C2=O)cc1	ZINC000103019163	555210927	/nfs/dbraw/zinc/21/09/27/555210927.db2.gz	CWGWZHGKDQAWHG-HAVVHWLPSA-N	0	0	557.694	3.471	50	0		KGAARN
COc1cc(NC(=O)c2cccc(S(=O)(=O)N3CCN(C)CC3)c2)c(OC)cc1NC(=O)c1ccccc1	ZINC000103019327	555210920	/nfs/dbraw/zinc/21/09/20/555210920.db2.gz	SGMSOPYXCVKXIF-UHFFFAOYSA-N	0	0	538.626	3.145	50	0		KGAARN
CCCCn1c(N)c(N(Cc2ccccc2OC)C(=O)c2ccc3c(c2)S(=O)(=O)c2ccccc2C3=O)c(=O)[nH]c1=O	ZINC000103019945	555211262	/nfs/dbraw/zinc/21/12/62/555211262.db2.gz	KEUTWAAGLGSRKD-UHFFFAOYSA-N	0	0	588.642	3.152	50	0		KGAARN
CCS(=O)(=O)N(CCOC)CC(=O)N(Cc1cccc(F)c1)C1CCN(C(=O)c2ccc(Cl)cc2)CC1	ZINC000103020063	555211497	/nfs/dbraw/zinc/21/14/97/555211497.db2.gz	RCVOHPYKKJCYNH-UHFFFAOYSA-N	0	0	554.084	3.411	50	0		KGAARN
CCS(=O)(=O)N(CCOC)CC(=O)N(Cc1cccc(F)c1)C1CCN(C(=O)Nc2ccccc2OC)CC1	ZINC000103020119	555211472	/nfs/dbraw/zinc/21/14/72/555211472.db2.gz	PTYXJYZELJICPI-UHFFFAOYSA-N	0	0	564.680	3.158	50	0		KGAARN
CS(=O)(=O)Cc1ccc(C(=O)N(CCC2=CCCCC2)c2c(N)n(Cc3ccccc3)c(=O)[nH]c2=O)cc1	ZINC000103020123	555211520	/nfs/dbraw/zinc/21/15/20/555211520.db2.gz	GXBHUWKZVLNSJT-UHFFFAOYSA-N	0	0	536.654	3.249	50	0		KGAARN
COc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)Nc3cc(S(=O)(=O)N(C)C)ccc3OC)c2)cc1	ZINC000103020185	555211489	/nfs/dbraw/zinc/21/14/89/555211489.db2.gz	DRGDVJPIJFHHSE-UHFFFAOYSA-N	0	0	533.628	3.032	50	0		KGAARN
COc1ccc(C(=O)Nc2nnc(SCc3ccccc3F)s2)cc1S(=O)(=O)N1CCOCC1	ZINC000103020290	555211528	/nfs/dbraw/zinc/21/15/28/555211528.db2.gz	ZNNAWUXSYOGBKF-UHFFFAOYSA-N	0	0	524.621	3.251	50	0		KGAARN
O=C(c1ccc(N2C(=O)CCC2=O)cc1)N1CCN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1	ZINC000103020433	555211677	/nfs/dbraw/zinc/21/16/77/555211677.db2.gz	YNTWTGJIDIAZAF-UHFFFAOYSA-N	0	0	529.924	3.159	50	0		KGAARN
O=C(CCCc1nc2ccccc2c(=O)[nH]1)N1CCN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1	ZINC000103020439	555211750	/nfs/dbraw/zinc/21/17/50/555211750.db2.gz	ADQPZXPBQKACPM-UHFFFAOYSA-N	0	0	542.967	3.451	50	0		KGAARN
CCCNC(=O)N(CC(=O)N1CCCN(c2ccc(-c3ccc(OC)c(OC)c3)nn2)CC1)Cc1ccco1	ZINC000103020490	555211733	/nfs/dbraw/zinc/21/17/33/555211733.db2.gz	OTVUYGFEEQGJCE-UHFFFAOYSA-N	0	0	536.633	3.414	50	0		KGAARN
CCOC(=O)C1CCN(C(=O)[C@H](C)N2CC3=C(C2=O)[C@H](c2ccccc2C(F)(F)F)NC(=O)N3CC)CC1	ZINC000103020539	555211747	/nfs/dbraw/zinc/21/17/47/555211747.db2.gz	TUNPLASPMQVJLU-BTYIYWSLSA-N	0	0	536.551	3.078	50	0		KGAARN
CCOC(=O)C1CCN(C(=O)[C@H](C)N2CC3=C(C2=O)[C@@H](c2ccccc2C(F)(F)F)NC(=O)N3CC)CC1	ZINC000103020542	555211695	/nfs/dbraw/zinc/21/16/95/555211695.db2.gz	TUNPLASPMQVJLU-YCRPNKLZSA-N	0	0	536.551	3.078	50	0		KGAARN
CCOC(=O)C1CCN(C(=O)[C@@H](C)N2CC3=C(C2=O)[C@H](c2ccccc2C(F)(F)F)NC(=O)N3CC)CC1	ZINC000103020544	555211765	/nfs/dbraw/zinc/21/17/65/555211765.db2.gz	TUNPLASPMQVJLU-VFNWGFHPSA-N	0	0	536.551	3.078	50	0		KGAARN
CCOC(=O)C1CCN(C(=O)[C@@H](C)N2CC3=C(C2=O)[C@@H](c2ccccc2C(F)(F)F)NC(=O)N3CC)CC1	ZINC000103020546	555211715	/nfs/dbraw/zinc/21/17/15/555211715.db2.gz	TUNPLASPMQVJLU-QVKFZJNVSA-N	0	0	536.551	3.078	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(S(=O)(=O)c3ccccc3)[C@H](C)C2)N(CC)C(=O)N[C@H]1c1ccccc1F	ZINC000103020647	555211950	/nfs/dbraw/zinc/21/19/50/555211950.db2.gz	HAIQQZDGRDGUJM-CLOONOSVSA-N	0	0	544.649	3.124	50	0		KGAARN
CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)ccc1C	ZINC000103020648	555211901	/nfs/dbraw/zinc/21/19/01/555211901.db2.gz	OJWMNWPCBPYCNK-UHFFFAOYSA-N	0	0	585.704	3.128	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(S(=O)(=O)c3ccccc3)[C@H](C)C2)N(CC)C(=O)N[C@@H]1c1ccccc1F	ZINC000103020650	555211920	/nfs/dbraw/zinc/21/19/20/555211920.db2.gz	HAIQQZDGRDGUJM-KBMIEXCESA-N	0	0	544.649	3.124	50	0		KGAARN
COc1ccc(-c2ccc(N3CCCN(C(=O)CN(Cc4ccco4)C(=O)NC(C)C)CC3)nn2)cc1OC	ZINC000103020704	555211923	/nfs/dbraw/zinc/21/19/23/555211923.db2.gz	NARYLHZABWJGFS-UHFFFAOYSA-N	0	0	536.633	3.413	50	0		KGAARN
COc1cccc(-c2ccc(N3CCN(C(=O)CN(Cc4ccc5c(c4)OCO5)C(=O)NC(C)C)CC3)nn2)c1	ZINC000103020831	555212048	/nfs/dbraw/zinc/21/20/48/555212048.db2.gz	UVCDMGKESHRKPA-UHFFFAOYSA-N	0	0	546.628	3.150	50	0		KGAARN
COc1cccc(-c2ccc(N3CCN(C(=O)CN(Cc4ccc5c(c4)OCO5)C(=O)C4CCC4)CC3)nn2)c1	ZINC000103020847	555212039	/nfs/dbraw/zinc/21/20/39/555212039.db2.gz	GPVCZXLCHLGESI-UHFFFAOYSA-N	0	0	543.624	3.358	50	0		KGAARN
CCCNC(=O)N(CC(=O)N1CCN(c2ccc(-c3cccc(OC)c3)nn2)CC1)Cc1ccc2c(c1)OCO2	ZINC000103020853	555212134	/nfs/dbraw/zinc/21/21/34/555212134.db2.gz	YOGHERXXLDNJBM-UHFFFAOYSA-N	0	0	546.628	3.151	50	0		KGAARN
O=C(c1ccc(Cl)c(S(=O)(=O)N2CCc3ccccc32)c1)N1CCN(S(=O)(=O)c2cccs2)CC1	ZINC000103020910	555212075	/nfs/dbraw/zinc/21/20/75/555212075.db2.gz	CUTQSPOADZVIJZ-UHFFFAOYSA-N	0	0	552.099	3.300	50	0		KGAARN
O=C(c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1)N1CCN(S(=O)(=O)c2cccs2)CC1	ZINC000103020923	555212056	/nfs/dbraw/zinc/21/20/56/555212056.db2.gz	XEOIGUMUUGFCNN-UHFFFAOYSA-N	0	0	532.109	3.113	50	0		KGAARN
O=C(COc1c(I)cc(Cl)c2cccnc21)N1CCN(S(=O)(=O)c2cccs2)CC1	ZINC000103020980	555212130	/nfs/dbraw/zinc/21/21/30/555212130.db2.gz	YQKNOIUZZSBPOV-UHFFFAOYSA-N	0	0	577.853	3.466	50	0		KGAARN
CN(C)S(=O)(=O)c1cccc(C(=O)NCCN2C(=O)S/C(=C/c3ccc(OC(F)F)cc3)C2=O)c1	ZINC000103021354	555212558	/nfs/dbraw/zinc/21/25/58/555212558.db2.gz	KRDQWGXOSUDTCO-LDADJPATSA-N	0	0	525.555	3.005	50	0		KGAARN
O=C(NCCN1C(=O)S/C(=C/c2ccc(OC(F)F)cc2)C1=O)c1ccc(=O)n(Cc2ccccc2)n1	ZINC000103021387	555212608	/nfs/dbraw/zinc/21/26/08/555212608.db2.gz	KLWOMOKFVQSXAS-XSFVSMFZSA-N	0	0	526.521	3.359	50	0		KGAARN
O=C(/C=C\c1ccc(S(=O)(=O)N2CCOCC2)cc1)NCCN1C(=O)S/C(=C\c2ccccc2Cl)C1=O	ZINC000103021398	1059077765	/nfs/dbraw/zinc/07/77/65/1059077765.db2.gz	NLVXYGMISTWFKC-YGEJWOEQSA-N	0	0	562.069	3.227	50	0		KGAARN
O=C(/C=C\c1ccc(S(=O)(=O)N2CCOCC2)cc1)NCCN1C(=O)S/C(=C/c2ccccc2Cl)C1=O	ZINC000103021400	1059077782	/nfs/dbraw/zinc/07/77/82/1059077782.db2.gz	NLVXYGMISTWFKC-YNMUPWQYSA-N	0	0	562.069	3.227	50	0		KGAARN
O=C(/C=C/c1ccc(S(=O)(=O)N2CCOCC2)cc1)NCCN1C(=O)S/C(=C/c2ccccc2Cl)C1=O	ZINC000103021403	1059077703	/nfs/dbraw/zinc/07/77/03/1059077703.db2.gz	NLVXYGMISTWFKC-GXBURBJQSA-N	0	0	562.069	3.227	50	0		KGAARN
Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCCN1C(=O)S/C(=C/c2ccccc2Cl)C1=O	ZINC000103021406	555212770	/nfs/dbraw/zinc/21/27/70/555212770.db2.gz	FCJCTMXAYBPIQV-KGENOOAVSA-N	0	0	550.058	3.136	50	0		KGAARN
CCCS(=O)(=O)N(CCOC)CC(=O)N(Cc1cccc(Cl)c1)C1CCN(C(=O)COc2ccccc2)CC1	ZINC000103021433	555212846	/nfs/dbraw/zinc/21/28/46/555212846.db2.gz	ZNXLZPKOKNASGJ-UHFFFAOYSA-N	0	0	580.147	3.427	50	0		KGAARN
CCCS(=O)(=O)N(CCOC)CC(=O)N(Cc1cccc(Cl)c1)C1CCN(C(=O)c2ccc3c(c2)OCO3)CC1	ZINC000103021480	555212875	/nfs/dbraw/zinc/21/28/75/555212875.db2.gz	YWOLOCXADCWMJZ-UHFFFAOYSA-N	0	0	594.130	3.390	50	0		KGAARN
CCCCNC(=O)N1CCC(N(Cc2cccc(Cl)c2)C(=O)CN(CCOC)S(=O)(=O)CCC)CC1	ZINC000103021497	555212799	/nfs/dbraw/zinc/21/27/99/555212799.db2.gz	HTHYOVIDZCYILS-UHFFFAOYSA-N	0	0	545.146	3.331	50	0		KGAARN
O=C(CCCN1C(=O)c2cccc3cccc(c32)C1=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1	ZINC000103021553	555212871	/nfs/dbraw/zinc/21/28/71/555212871.db2.gz	XVINHLZIMVGHLT-UHFFFAOYSA-N	0	0	526.014	3.403	50	0		KGAARN
CCOC(=O)N1CCN(CC(=O)N2N=C(c3ccc(OC)c(OC)c3)C[C@H]2c2ccc(OC)cc2OC)CC1	ZINC000103021596	555212763	/nfs/dbraw/zinc/21/27/63/555212763.db2.gz	QEGWIFQXFYRTAI-QHCPKHFHSA-N	0	0	540.617	3.173	50	0		KGAARN
CCOC(=O)N1CCN(CC(=O)N2N=C(c3ccc(OC)c(OC)c3)C[C@@H]2c2ccc(OC)cc2OC)CC1	ZINC000103021598	555212877	/nfs/dbraw/zinc/21/28/77/555212877.db2.gz	QEGWIFQXFYRTAI-HSZRJFAPSA-N	0	0	540.617	3.173	50	0		KGAARN
Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCN(S(=O)(=O)c4ccc5ccccc5c4)CC3)CC2)cc1C	ZINC000103021674	555213074	/nfs/dbraw/zinc/21/30/74/555213074.db2.gz	FMDDLWIPKXRWQS-UHFFFAOYSA-N	0	0	555.722	3.390	50	0		KGAARN
CCCCn1c(N)c(N(CC(C)C)C(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)c(=O)[nH]c1=O	ZINC000103021784	555213084	/nfs/dbraw/zinc/21/30/84/555213084.db2.gz	QCUYHCFCBWNEQW-UHFFFAOYSA-N	0	0	540.086	3.050	50	0		KGAARN
CCCCn1c(N)c(N(CC(C)C)C(=O)C2CCN(S(=O)(=O)c3ccc(C(C)C)cc3)CC2)c(=O)[nH]c1=O	ZINC000103021856	555213114	/nfs/dbraw/zinc/21/31/14/555213114.db2.gz	XFQNPUQLCWVDGN-UHFFFAOYSA-N	0	0	547.722	3.132	50	0		KGAARN
COCCN(Cc1cnc(S(=O)(=O)Cc2cccc(OC)c2)n1CCOC)C(=S)Nc1ccc(OC)cc1	ZINC000103021857	555213124	/nfs/dbraw/zinc/21/31/24/555213124.db2.gz	JQKYGSFBEHTPBF-UHFFFAOYSA-N	0	0	562.714	3.366	50	0		KGAARN
CCCCn1c(N)c(N(CC(C)C)C(=O)c2cc(CN3C(=O)c4ccccc4C3=O)ccc2OC)c(=O)[nH]c1=O	ZINC000103021863	555213069	/nfs/dbraw/zinc/21/30/69/555213069.db2.gz	KTANHMZVNKDETG-UHFFFAOYSA-N	0	0	547.612	3.027	50	0		KGAARN
COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1C(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2C)CC1	ZINC000103022221	555213295	/nfs/dbraw/zinc/21/32/95/555213295.db2.gz	IBAXJSYNKSLYGZ-UHFFFAOYSA-N	0	0	569.705	3.210	50	0		KGAARN
Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1ccccc1S(=O)(=O)N(C)C1CCCCC1	ZINC000103022409	555213640	/nfs/dbraw/zinc/21/36/40/555213640.db2.gz	OBQGRCDMZWTJBI-UHFFFAOYSA-N	0	0	535.688	3.221	50	0		KGAARN
O=C(CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)NCCN1C(=O)S/C(=C/c2ccc(Cl)c(Cl)c2)C1=O	ZINC000103022818	555213812	/nfs/dbraw/zinc/21/38/12/555213812.db2.gz	PJZVZKCWWHFHFH-ZJLQCSDHSA-N	0	0	508.383	3.097	50	0		KGAARN
CCOC(=O)C1=C(NC(=O)c2cccc(S(=O)(=O)N(CCOC)CCOC)c2)Nc2ccccc2N=C1CC	ZINC000103022883	555213846	/nfs/dbraw/zinc/21/38/46/555213846.db2.gz	HTJQKNAJVHIRLY-UHFFFAOYSA-N	0	0	558.657	3.083	50	0		KGAARN
CCCCOc1ccc(C(=O)N2CCN(c3nc(CN4CCN(c5ccccc5OC)CC4)cc(=O)[nH]3)CC2)cc1	ZINC000103022932	555213851	/nfs/dbraw/zinc/21/38/51/555213851.db2.gz	ZFEYBZAIXBIIPT-UHFFFAOYSA-N	0	0	560.699	3.242	50	0		KGAARN
O=C(c1c(F)c(F)c(F)c(F)c1F)N1CCN(c2nc3nccc(-c4ccc5c(c4)OCO5)n3n2)CC1	ZINC000103023405	555214164	/nfs/dbraw/zinc/21/41/64/555214164.db2.gz	SONGJBGIUGNIIS-UHFFFAOYSA-N	0	0	518.402	3.178	50	0		KGAARN
CCS(=O)(=O)N(CCOC)CC(=O)N(Cc1cccc(F)c1)C1CCN(C(=O)Nc2ccc(C)cc2)CC1	ZINC000103023510	555214172	/nfs/dbraw/zinc/21/41/72/555214172.db2.gz	SSLANWBQEVUHIP-UHFFFAOYSA-N	0	0	548.681	3.457	50	0		KGAARN
CCS(=O)(=O)N(CCOC)CC(=O)N(Cc1cccc(F)c1)C1CCN(C(=O)Nc2ccc(F)cc2F)CC1	ZINC000103023594	555214175	/nfs/dbraw/zinc/21/41/75/555214175.db2.gz	NAUVPLUUFVAGDU-UHFFFAOYSA-N	0	0	570.634	3.427	50	0		KGAARN
CCS(=O)(=O)N(CCOC)CC(=O)N(Cc1cccc(F)c1)C1CCN(C(=O)Nc2ccc(OC)cc2)CC1	ZINC000103023661	555214212	/nfs/dbraw/zinc/21/42/12/555214212.db2.gz	VEGATKCUBRDXPU-UHFFFAOYSA-N	0	0	564.680	3.158	50	0		KGAARN
COc1ccc(C(=O)OCCN2C(=O)c3ccccc3C2=O)cc1S(=O)(=O)N1CCN(c2cccc(Cl)c2)CC1	ZINC000103024294	555214562	/nfs/dbraw/zinc/21/45/62/555214562.db2.gz	RBTUUHRHOHJROQ-UHFFFAOYSA-N	0	0	584.050	3.313	50	0		KGAARN
COc1ccc(/C=C\C(=O)NCCN2C(=O)S/C(=C/c3ccc(Cl)cc3)C2=O)cc1S(=O)(=O)N1CCOCC1	ZINC000103024334	1059664608	/nfs/dbraw/zinc/66/46/08/1059664608.db2.gz	IRXJRLWKAFTLCL-HVQXXNHSSA-N	0	0	592.095	3.235	50	0		KGAARN
COc1ccc(/C=C/C(=O)NCCN2C(=O)S/C(=C/c3ccc(Cl)cc3)C2=O)cc1S(=O)(=O)N1CCOCC1	ZINC000103024336	555214842	/nfs/dbraw/zinc/21/48/42/555214842.db2.gz	IRXJRLWKAFTLCL-YQFIEEDCSA-N	0	0	592.095	3.235	50	0		KGAARN
COc1ccc(/C=C\C(=O)NCCN2C(=O)S/C(=C\c3ccc(Cl)cc3)C2=O)cc1S(=O)(=O)N1CCOCC1	ZINC000103024338	1059018258	/nfs/dbraw/zinc/01/82/58/1059018258.db2.gz	IRXJRLWKAFTLCL-IQNJIGNHSA-N	0	0	592.095	3.235	50	0		KGAARN
O=C(NCCN1C(=O)S/C(=C/c2ccc(Cl)cc2)C1=O)[C@H]1CCCN1S(=O)(=O)c1ccccc1F	ZINC000103024381	555214816	/nfs/dbraw/zinc/21/48/16/555214816.db2.gz	OVVAZJKMGGDWGM-XWALVKJWSA-N	0	0	538.022	3.485	50	0		KGAARN
O=C(NCCN1C(=O)S/C(=C/c2ccccc2)C1=O)c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl	ZINC000103024415	555214773	/nfs/dbraw/zinc/21/47/73/555214773.db2.gz	YDAUPXMZSDTYOR-XDHOZWIPSA-N	0	0	570.476	3.481	50	0		KGAARN
CCCCn1c(N)c(N(CCC(C)C)C(=O)c2ccc3c(c2)S(=O)(=O)N=C2CCCCCN32)c(=O)[nH]c1=O	ZINC000103024856	555215131	/nfs/dbraw/zinc/21/51/31/555215131.db2.gz	KRSREFXDIJKDRZ-UHFFFAOYSA-N	0	0	544.678	3.093	50	0		KGAARN
COCCN(CC(=O)N(Cc1cccs1)Cc1ccc2c(c1)OCO2)S(=O)(=O)c1ccc(OC)cc1	ZINC000103025283	555215470	/nfs/dbraw/zinc/21/54/70/555215470.db2.gz	MTGVOVJIMLHCIO-UHFFFAOYSA-N	0	0	532.640	3.352	50	0		KGAARN
O=C(NCCN1C(=O)S/C(=C/c2ccccc2F)C1=O)C1CCN(S(=O)(=O)c2cccs2)CC1	ZINC000103025298	1059665470	/nfs/dbraw/zinc/66/54/70/1059665470.db2.gz	GHLQMGPPIZIKKF-NBVRZTHBSA-N	0	0	523.633	3.141	50	0		KGAARN
O=C(NCCN1C(=O)S/C(=C/c2ccccc2F)C1=O)C1CCN(S(=O)(=O)c2ccccc2F)CC1	ZINC000103025339	1059018524	/nfs/dbraw/zinc/01/85/24/1059018524.db2.gz	DMXOGMXPBAPBOA-HMMYKYKNSA-N	0	0	535.594	3.218	50	0		KGAARN
O=c1cc(CN2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)occ1OCc1ccccc1Cl	ZINC000103025360	555215710	/nfs/dbraw/zinc/21/57/10/555215710.db2.gz	CEGSGWUPEHFTMB-UHFFFAOYSA-N	0	0	533.002	3.150	50	0		KGAARN
CN(C)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)NCCN2C(=O)S/C(=C/c3ccccc3F)C2=O)c1	ZINC000103025367	1059665419	/nfs/dbraw/zinc/66/54/19/1059665419.db2.gz	SSUSXLRLABTWNB-PXLXIMEGSA-N	0	0	546.646	3.143	50	0		KGAARN
CCN(CC)S(=O)(=O)c1ccc(C(=O)NCCN2C(=O)S/C(=C/c3ccc(OC)c(OC)c3)C2=O)cc1	ZINC000103025471	555215665	/nfs/dbraw/zinc/21/56/65/555215665.db2.gz	BQDIQYSXDCZZDB-CJLVFECKSA-N	0	0	547.655	3.201	50	0		KGAARN
CCOc1ccc(N2C[C@H](C(=O)NCCN3C(=O)S/C(=C/c4ccc(OC)c(OC)c4)C3=O)CC2=O)cc1	ZINC000103025515	555215659	/nfs/dbraw/zinc/21/56/59/555215659.db2.gz	NDHSJFXRLLFLGU-UEIZDATPSA-N	0	0	539.610	3.308	50	0		KGAARN
CCOc1ccc(N2C[C@@H](C(=O)NCCN3C(=O)S/C(=C/c4ccc(OC)c(OC)c4)C3=O)CC2=O)cc1	ZINC000103025518	555215691	/nfs/dbraw/zinc/21/56/91/555215691.db2.gz	NDHSJFXRLLFLGU-TTXZLZEXSA-N	0	0	539.610	3.308	50	0		KGAARN
COc1cc(CCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2OCC(F)(F)F)cc(OC)c1OC	ZINC000103026714	555216472	/nfs/dbraw/zinc/21/64/72/555216472.db2.gz	LXAABWWPCUVDEE-UHFFFAOYSA-N	0	0	562.563	3.246	50	0		KGAARN
COc1ccc(NC(=O)Cn2[nH]c(=O)c3ccccc3c2=O)cc1S(=O)(=O)Nc1cc(C)ccc1Br	ZINC000103026774	555216698	/nfs/dbraw/zinc/21/66/98/555216698.db2.gz	FJWSIIPFVAKWEN-UHFFFAOYSA-N	0	0	573.425	3.209	50	0		KGAARN
COc1ccc(NC(=O)c2cccc(S(=O)(=O)N(C)c3cccc(Cl)c3)c2)cc1S(=O)(=O)N1CCOCC1	ZINC000103027139	555216885	/nfs/dbraw/zinc/21/68/85/555216885.db2.gz	BQYVGCMOXORIRY-UHFFFAOYSA-N	0	0	580.084	3.447	50	0		KGAARN
COc1ccc(NC(=O)c2cccc(S(=O)(=O)N3c4ccccc4C[C@H]3C)c2)cc1S(=O)(=O)N1CCOCC1	ZINC000103027154	555216874	/nfs/dbraw/zinc/21/68/74/555216874.db2.gz	JXKXIYCJHWDSRX-LJQANCHMSA-N	0	0	571.677	3.108	50	0		KGAARN
COc1ccc(NC(=O)c2cccc(S(=O)(=O)N3c4ccccc4C[C@@H]3C)c2)cc1S(=O)(=O)N1CCOCC1	ZINC000103027158	555216898	/nfs/dbraw/zinc/21/68/98/555216898.db2.gz	JXKXIYCJHWDSRX-IBGZPJMESA-N	0	0	571.677	3.108	50	0		KGAARN
COc1ccc(NC(=O)c2ccc(OCc3c(C)noc3C)c(OC)c2)cc1S(=O)(=O)N1CCOCC1	ZINC000103027182	555216875	/nfs/dbraw/zinc/21/68/75/555216875.db2.gz	PUDWYXDWOUQNAC-UHFFFAOYSA-N	0	0	531.587	3.161	50	0		KGAARN
COc1ccc(NC(=O)c2ccc3c(c2)C(=O)N(c2ccccc2C)C3=O)cc1S(=O)(=O)N1CCOCC1	ZINC000103027194	555216927	/nfs/dbraw/zinc/21/69/27/555216927.db2.gz	UGKYXIOYOIIZED-UHFFFAOYSA-N	0	0	535.578	3.077	50	0		KGAARN
COc1ccc(NC(=O)c2ccc(OS(=O)(=O)c3cc(C)ccc3C)cc2)cc1S(=O)(=O)N1CCOCC1	ZINC000103027198	555216938	/nfs/dbraw/zinc/21/69/38/555216938.db2.gz	DGJGPHIPXWVJSF-UHFFFAOYSA-N	0	0	560.650	3.353	50	0		KGAARN
CCN(CC)S(=O)(=O)c1ccc2[nH]c(=O)cc(C(=O)Nc3cc(C(F)(F)F)ccc3-n3cncn3)c2c1	ZINC000103027767	555217272	/nfs/dbraw/zinc/21/72/72/555217272.db2.gz	IREIRSSBPBFMRJ-UHFFFAOYSA-N	0	0	534.520	3.410	50	0		KGAARN
COC(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)Nc2cc(C(F)(F)F)ccc2-n2cncn2)CC1	ZINC000103027820	555217326	/nfs/dbraw/zinc/21/73/26/555217326.db2.gz	SVVWLAVXFGHIDS-UHFFFAOYSA-N	0	0	537.520	3.112	50	0		KGAARN
COCCn1c(CN(CCN2CCOCC2)C(=S)Nc2ccc(F)cc2)cnc1S(=O)(=O)Cc1ccccc1	ZINC000103027841	555217344	/nfs/dbraw/zinc/21/73/44/555217344.db2.gz	RWTIAPGBAQSCHP-UHFFFAOYSA-N	0	0	575.732	3.174	50	0		KGAARN
COCCN(Cc1cnc(S(=O)(=O)Cc2ccccc2)n1CCOC)C(=S)Nc1ccc(OC)cc1	ZINC000103027857	555217361	/nfs/dbraw/zinc/21/73/61/555217361.db2.gz	XZHOKIMSNAHXQA-UHFFFAOYSA-N	0	0	532.688	3.357	50	0		KGAARN
COc1ccc(-c2ccc(N3CCN(C(=O)CN(C[C@@H]4CCCO4)C(=O)c4cccc(F)c4)CC3)nn2)cc1	ZINC000103027921	555217381	/nfs/dbraw/zinc/21/73/81/555217381.db2.gz	FQOORWZWQWHNGB-VWLOTQADSA-N	0	0	533.604	3.261	50	0		KGAARN
COc1ccc(-c2ccc(N3CCN(C(=O)CN(C[C@H]4CCCO4)C(=O)c4cccc(F)c4)CC3)nn2)cc1	ZINC000103027924	555217384	/nfs/dbraw/zinc/21/73/84/555217384.db2.gz	FQOORWZWQWHNGB-RUZDIDTESA-N	0	0	533.604	3.261	50	0		KGAARN
COc1ccc(-c2ccc(N3CCN(C(=O)CN(C[C@@H]4CCCO4)C(=O)c4cccc(OC)c4)CC3)nn2)cc1	ZINC000103027966	555217574	/nfs/dbraw/zinc/21/75/74/555217574.db2.gz	CFALDVHEPIYLBJ-SANMLTNESA-N	0	0	545.640	3.131	50	0		KGAARN
COc1ccc(-c2ccc(N3CCN(C(=O)CN(C[C@H]4CCCO4)C(=O)c4cccc(OC)c4)CC3)nn2)cc1	ZINC000103027970	555217655	/nfs/dbraw/zinc/21/76/55/555217655.db2.gz	CFALDVHEPIYLBJ-AREMUKBSSA-N	0	0	545.640	3.131	50	0		KGAARN
COc1ccc(S(=O)(=O)N(CC(=O)N2CCN(c3ccc(-c4ccccc4Cl)nn3)CC2)C[C@@H]2CCCO2)cc1	ZINC000103028083	555217627	/nfs/dbraw/zinc/21/76/27/555217627.db2.gz	YADSRFDESLUDJF-QFIPXVFZSA-N	0	0	586.114	3.324	50	0		KGAARN
COc1ccc(S(=O)(=O)N(CC(=O)N2CCN(c3ccc(-c4ccccc4Cl)nn3)CC2)C[C@H]2CCCO2)cc1	ZINC000103028085	555217598	/nfs/dbraw/zinc/21/75/98/555217598.db2.gz	YADSRFDESLUDJF-JOCHJYFZSA-N	0	0	586.114	3.324	50	0		KGAARN
COCCN(C(=O)c1cc(-c2ccccc2)nn1-c1ccccc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	ZINC000103028461	555217764	/nfs/dbraw/zinc/21/77/64/555217764.db2.gz	ZMYVYLHYTYXTNS-UHFFFAOYSA-N	0	0	536.592	3.313	50	0		KGAARN
CCOC(=O)[C@@H](Cc1ccccc1)NC(=O)N1CCCN(c2c(-c3ccc(OC)cc3)cnc3ncnn32)CC1	ZINC000103030834	555218938	/nfs/dbraw/zinc/21/89/38/555218938.db2.gz	PQSFLMDVJSNBEV-RUZDIDTESA-N	0	0	543.628	3.196	50	0		KGAARN
CCOC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCCN(c2c(-c3ccc(OC)cc3)cnc3ncnn32)CC1	ZINC000103030837	555218915	/nfs/dbraw/zinc/21/89/15/555218915.db2.gz	PQSFLMDVJSNBEV-VWLOTQADSA-N	0	0	543.628	3.196	50	0		KGAARN
COC(=O)c1ccc(CO[C@@H](CN2CCN(S(=O)(=O)c3c(C)noc3C)CC2)c2cccc(OC)c2)cc1	ZINC000103032415	555220185	/nfs/dbraw/zinc/22/01/85/555220185.db2.gz	HWWNREUVZOOLIL-VWLOTQADSA-N	0	0	543.642	3.351	50	0		KGAARN
COC(=O)c1ccc(CO[C@H](CN2CCN(S(=O)(=O)c3c(C)noc3C)CC2)c2cccc(OC)c2)cc1	ZINC000103032416	555220119	/nfs/dbraw/zinc/22/01/19/555220119.db2.gz	HWWNREUVZOOLIL-RUZDIDTESA-N	0	0	543.642	3.351	50	0		KGAARN
Cn1c(=O)c2c(n(Cc3ccccc3)c1=O)NC(=O)[C@@H]2CC(=O)N1CCC(c2nc3ccccc3s2)CC1	ZINC000103032585	555220134	/nfs/dbraw/zinc/22/01/34/555220134.db2.gz	BCLBLYFDVRROIN-LJQANCHMSA-N	0	0	529.622	3.037	50	0		KGAARN
Cn1c(=O)c2c(n(Cc3ccccc3)c1=O)NC(=O)[C@H]2CC(=O)N1CCC(c2nc3ccccc3s2)CC1	ZINC000103032588	555220144	/nfs/dbraw/zinc/22/01/44/555220144.db2.gz	BCLBLYFDVRROIN-IBGZPJMESA-N	0	0	529.622	3.037	50	0		KGAARN
CC[C@H](C)[C@H](NC(=O)[C@H](CC(=O)OCc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N[C@H](Cc1ccccc1)C(=O)OC	ZINC000103032895	555220412	/nfs/dbraw/zinc/22/04/12/555220412.db2.gz	GBJLPVNMWGIESU-CIMCOABOSA-N	0	0	597.709	3.445	50	0	biogenic	KGAARN
CCN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)c1	ZINC000103033391	555221197	/nfs/dbraw/zinc/22/11/97/555221197.db2.gz	WPCJMBUDJFILQS-UHFFFAOYSA-N	0	0	559.666	3.184	50	0		KGAARN
COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1cccc(S(=O)(=O)N(C)c2cccc(Cl)c2)c1	ZINC000103034176	555221848	/nfs/dbraw/zinc/22/18/48/555221848.db2.gz	FXRKHNXSOLFIFI-UHFFFAOYSA-N	0	0	580.084	3.447	50	0		KGAARN
COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1ccc2c(c1)C(=O)N(c1ccccc1C)C2=O	ZINC000103034256	555221817	/nfs/dbraw/zinc/22/18/17/555221817.db2.gz	KNPOZEMPACMZLF-UHFFFAOYSA-N	0	0	535.578	3.077	50	0		KGAARN
COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1ccc2c(c1)C(=O)N(c1cc(C)ccc1C)C2=O	ZINC000103034266	555221928	/nfs/dbraw/zinc/22/19/28/555221928.db2.gz	GMKKZDJLJDRASH-UHFFFAOYSA-N	0	0	549.605	3.386	50	0		KGAARN
COc1ccc(C(=O)N(CC(=O)Nc2nc(CC(=O)N3CCN(c4ccccc4F)CC3)cs2)C2CC2)cc1	ZINC000103035141	555222351	/nfs/dbraw/zinc/22/23/51/555222351.db2.gz	SFPZBVQMUDXWHZ-UHFFFAOYSA-N	0	0	551.644	3.425	50	0		KGAARN
Cc1ccc(NC(=O)COC(=O)C[C@H](NC(N)=O)c2cccc(Oc3ccccc3)c2)cc1S(=O)(=O)N(C)C	ZINC000103035505	555222563	/nfs/dbraw/zinc/22/25/63/555222563.db2.gz	ZVTPSMSZYIRZOL-QHCPKHFHSA-N	0	0	554.625	3.319	50	0		KGAARN
Cc1ccc(NC(=O)COC(=O)C[C@@H](NC(N)=O)c2cccc(Oc3ccccc3)c2)cc1S(=O)(=O)N(C)C	ZINC000103035507	555222607	/nfs/dbraw/zinc/22/26/07/555222607.db2.gz	ZVTPSMSZYIRZOL-HSZRJFAPSA-N	0	0	554.625	3.319	50	0		KGAARN
CCOC(=O)[C@@H]1CCCN(C(=O)c2nn(-c3cccc(C)c3)c(=O)n(Cc3ccc(C(F)(F)F)cc3)c2=O)C1	ZINC000103035674	555222619	/nfs/dbraw/zinc/22/26/19/555222619.db2.gz	MQTIWLWVUMTSJL-LJQANCHMSA-N	0	0	544.530	3.185	50	0		KGAARN
CCOC(=O)[C@H]1CCCN(C(=O)c2nn(-c3cccc(C)c3)c(=O)n(Cc3ccc(C(F)(F)F)cc3)c2=O)C1	ZINC000103035677	555222573	/nfs/dbraw/zinc/22/25/73/555222573.db2.gz	MQTIWLWVUMTSJL-IBGZPJMESA-N	0	0	544.530	3.185	50	0		KGAARN
COc1ccc(S(=O)(=O)N2CCC3(CC2)N[C@H](CC(C)C)C(=O)N3CCc2ccc(OC)c(OC)c2)cc1	ZINC000103035867	555222942	/nfs/dbraw/zinc/22/29/42/555222942.db2.gz	YBZCTRGXLZCRND-XMMPIXPASA-N	0	0	545.702	3.282	50	0		KGAARN
COc1ccc(S(=O)(=O)N2CCC3(CC2)N[C@@H](CC(C)C)C(=O)N3CCc2ccc(OC)c(OC)c2)cc1	ZINC000103035870	555222949	/nfs/dbraw/zinc/22/29/49/555222949.db2.gz	YBZCTRGXLZCRND-DEOSSOPVSA-N	0	0	545.702	3.282	50	0		KGAARN
CCOC(=O)[C@@H]1CCCN(C(=O)c2nn(-c3ccccc3F)c(=O)n(Cc3cccc(C(F)(F)F)c3)c2=O)C1	ZINC000103036107	555222951	/nfs/dbraw/zinc/22/29/51/555222951.db2.gz	HPGPOCWMZDDJHD-QGZVFWFLSA-N	0	0	548.493	3.016	50	0		KGAARN
CCOC(=O)[C@H]1CCCN(C(=O)c2nn(-c3ccccc3F)c(=O)n(Cc3cccc(C(F)(F)F)c3)c2=O)C1	ZINC000103036110	555222953	/nfs/dbraw/zinc/22/29/53/555222953.db2.gz	HPGPOCWMZDDJHD-KRWDZBQOSA-N	0	0	548.493	3.016	50	0		KGAARN
CCOC(=O)[C@@H]1CCCN(C(=O)c2nn(-c3ccc(C)c(Cl)c3)c(=O)n(Cc3ccccc3Cl)c2=O)C1	ZINC000103036199	555222882	/nfs/dbraw/zinc/22/28/82/555222882.db2.gz	YPTNNAQJCSRLGH-GOSISDBHSA-N	0	0	545.423	3.473	50	0		KGAARN
CCOC(=O)[C@H]1CCCN(C(=O)c2nn(-c3ccc(C)c(Cl)c3)c(=O)n(Cc3ccccc3Cl)c2=O)C1	ZINC000103036204	555222886	/nfs/dbraw/zinc/22/28/86/555222886.db2.gz	YPTNNAQJCSRLGH-SFHVURJKSA-N	0	0	545.423	3.473	50	0		KGAARN
COc1ccc(/C=C2/SC(=O)N(CCNC(=O)C3CCN(S(=O)(=O)c4cccs4)CC3)C2=O)cc1	ZINC000103037665	555223287	/nfs/dbraw/zinc/22/32/87/555223287.db2.gz	UURQSSRIAMUJDP-XDJHFCHBSA-N	0	0	535.669	3.010	50	0		KGAARN
COc1ccc(/C=C2\SC(=O)N(CCNC(=O)c3cc(S(=O)(=O)N(C)C)ccc3N3CCCC3)C2=O)cc1	ZINC000103037751	1059663511	/nfs/dbraw/zinc/66/35/11/1059663511.db2.gz	GYKPISLNRSKWKR-KQWNVCNZSA-N	0	0	558.682	3.012	50	0		KGAARN
COc1cc(C(=O)OCC(=O)N2CCN(c3ccccc3)CC2)cc(CN2C(=O)c3ccccc3C2=O)c1OC	ZINC000103037892	555223443	/nfs/dbraw/zinc/22/34/43/555223443.db2.gz	QIJLUIUMQKZZSD-UHFFFAOYSA-N	0	0	543.576	3.006	50	0		KGAARN
C[C@@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)c3cc(S(=O)(=O)N(C)C)ccc3N3CCCC3)cc2)C1	ZINC000103038243	555223869	/nfs/dbraw/zinc/22/38/69/555223869.db2.gz	JGIAPZJPAZRJCH-LJQANCHMSA-N	0	0	534.704	3.210	50	0		KGAARN
C[C@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)c3cc(S(=O)(=O)N(C)C)ccc3N3CCCC3)cc2)C1	ZINC000103038245	555223873	/nfs/dbraw/zinc/22/38/73/555223873.db2.gz	JGIAPZJPAZRJCH-IBGZPJMESA-N	0	0	534.704	3.210	50	0		KGAARN
CC(C)CN(C(=O)CN(C)C(=O)CSc1cc(Cl)ccc1Cl)c1c(N)n(CC(C)C)c(=O)[nH]c1=O	ZINC000103038429	555223933	/nfs/dbraw/zinc/22/39/33/555223933.db2.gz	LHFLQAYIPANQCH-UHFFFAOYSA-N	0	0	544.505	3.321	50	0		KGAARN
O=C(Nc1cccc(S(=O)(=O)NC2=NCCC2)c1)c1cccc(S(=O)(=O)N2CCc3ccccc3C2)c1	ZINC000103039755	555224422	/nfs/dbraw/zinc/22/44/22/555224422.db2.gz	CBGKKOIVHBFBEK-UHFFFAOYSA-N	0	0	538.651	3.157	50	0		KGAARN
CCOC(=O)c1ccc(NC(=O)N2CCN(c3c(-c4ccc(OC)c(OC)c4)cnc4ncnn43)CC2)cc1	ZINC000103040694	555224945	/nfs/dbraw/zinc/22/49/45/555224945.db2.gz	PPSDNKJPBLHMOG-UHFFFAOYSA-N	0	0	531.573	3.339	50	0		KGAARN
COc1cccc(CNC(=O)C2CCN(C(=O)CCNC(=O)Nc3c(F)c(F)c(F)c(F)c3F)CC2)c1	ZINC000103041137	555225267	/nfs/dbraw/zinc/22/52/67/555225267.db2.gz	HAGNVSCAHGXXQA-UHFFFAOYSA-N	0	0	528.478	3.457	50	0		KGAARN
COc1cc(OC)cc(C(=O)N2CCN(c3cc(S(=O)(=O)N4CCc5ccccc5C4)ccc3OC)CC2)c1	ZINC000103041421	555225285	/nfs/dbraw/zinc/22/52/85/555225285.db2.gz	WEEOIMPSWHKINA-UHFFFAOYSA-N	0	0	551.665	3.422	50	0		KGAARN
COc1ccc(-c2cnc3ncnn3c2N2CCCN(S(=O)(=O)c3cc(Cl)ccc3OC)CC2)cc1OC	ZINC000103041470	555225472	/nfs/dbraw/zinc/22/54/72/555225472.db2.gz	BTDNNUDHGDJNFC-UHFFFAOYSA-N	0	0	559.048	3.372	50	0		KGAARN
COc1cc(C(=O)Nc2cccc(S(=O)(=O)N(C)c3ccccc3)c2)ccc1OCC(=O)N1CCOCC1	ZINC000103041901	555225481	/nfs/dbraw/zinc/22/54/81/555225481.db2.gz	LHTDLBWAHYJNJX-UHFFFAOYSA-N	0	0	539.610	3.010	50	0		KGAARN
CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)/C=C\c2ccc(S(=O)(=O)N3CCOCC3)cc2)c1	ZINC000103041919	1059663559	/nfs/dbraw/zinc/66/35/59/1059663559.db2.gz	MHQJSXQJAYWLKP-QINSGFPZSA-N	0	0	541.651	3.185	50	0		KGAARN
COc1ccc(/C=C\C(=O)Nc2ccc(-c3nnc4n3CCCCC4)cc2)cc1S(=O)(=O)N1CCOCC1	ZINC000103042096	1059663603	/nfs/dbraw/zinc/66/36/03/1059663603.db2.gz	CTVRODNWOMVINL-QPEQYQDCSA-N	0	0	537.642	3.353	50	0		KGAARN
COc1cc(/C=C2\SC(=O)N(CCNC(=O)c3cc(OC)c(OC)c(OC)c3)C2=O)cc(OC)c1OC	ZINC000103042350	1059665437	/nfs/dbraw/zinc/66/54/37/1059665437.db2.gz	SZMIEQSMNVCOJY-JAIQZWGSSA-N	0	0	532.571	3.205	50	0		KGAARN
COc1ccc(C2=NN(C(=O)CN(CCN3CCOCC3)C(=O)NC(C)C)[C@H](c3ccc(OC)c(OC)c3)C2)cc1	ZINC000103042351	555225963	/nfs/dbraw/zinc/22/59/63/555225963.db2.gz	YFDXZYAZDLNLIC-SANMLTNESA-N	0	0	567.687	3.142	50	0		KGAARN
COc1ccc(C2=NN(C(=O)CN(CCN3CCOCC3)C(=O)NC(C)C)[C@@H](c3ccc(OC)c(OC)c3)C2)cc1	ZINC000103042356	555225909	/nfs/dbraw/zinc/22/59/09/555225909.db2.gz	YFDXZYAZDLNLIC-AREMUKBSSA-N	0	0	567.687	3.142	50	0		KGAARN
CCCNC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2ccc(OC)cc2)C[C@H]1c1ccc(OC)c(OC)c1	ZINC000103042374	555226204	/nfs/dbraw/zinc/22/62/04/555226204.db2.gz	QVNUQVLIUKGSNH-SANMLTNESA-N	0	0	567.687	3.144	50	0		KGAARN
CCCNC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2ccc(OC)cc2)C[C@@H]1c1ccc(OC)c(OC)c1	ZINC000103042377	555226232	/nfs/dbraw/zinc/22/62/32/555226232.db2.gz	QVNUQVLIUKGSNH-AREMUKBSSA-N	0	0	567.687	3.144	50	0		KGAARN
COc1cc(/C=C2\SC(=O)N(CCNC(=O)C3=NN(c4ccccc4)C(=O)CC3)C2=O)cc(OC)c1OC	ZINC000103042392	555226221	/nfs/dbraw/zinc/22/62/21/555226221.db2.gz	DMVTZKBBXMTJIS-QNGOZBTKSA-N	0	0	538.582	3.048	50	0		KGAARN
COc1cc(/C=C2/SC(=O)N(CCNC(=O)C3=NN(c4ccccc4)C(=O)CC3)C2=O)cc(OC)c1OC	ZINC000103042395	555226266	/nfs/dbraw/zinc/22/62/66/555226266.db2.gz	DMVTZKBBXMTJIS-RCCKNPSSSA-N	0	0	538.582	3.048	50	0		KGAARN
COc1cc(/C=C2/SC(=O)N(CCNC(=O)CSc3nnnn3-c3cc(C)ccc3C)C2=O)cc(OC)c1OC	ZINC000103042401	555226254	/nfs/dbraw/zinc/22/62/54/555226254.db2.gz	WAXAQHDCLGKTSB-FYJGNVAPSA-N	0	0	584.680	3.250	50	0		KGAARN
O=C(NCCN1C(=O)S/C(=C/c2cccnc2)C1=O)c1cccc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)c1	ZINC000103042406	555226225	/nfs/dbraw/zinc/22/62/25/555226225.db2.gz	BSAIRZKOWYGSKB-KOEQRZSOSA-N	0	0	595.678	3.198	50	0		KGAARN
O=C(NCCN1C(=O)S/C(=C/c2cccnc2)C1=O)c1cccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)c1	ZINC000103042409	555226212	/nfs/dbraw/zinc/22/62/12/555226212.db2.gz	FWZCJPDUOOYTRT-XIEYBQDHSA-N	0	0	577.688	3.059	50	0		KGAARN
CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)NCCN2C(=O)S/C(=C/c3cccnc3)C2=O)cc1	ZINC000103042419	555226262	/nfs/dbraw/zinc/22/62/62/555226262.db2.gz	NQVGKVPYUWQIDF-CJLVFECKSA-N	0	0	522.608	3.373	50	0		KGAARN
O=C(NCCN1C(=O)S/C(=C/c2cccnc2)C1=O)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1	ZINC000103042446	555226452	/nfs/dbraw/zinc/22/64/52/555226452.db2.gz	NWGRYOKOLKPOFT-HZHRSRAPSA-N	0	0	534.619	3.299	50	0		KGAARN
O=C(NCCN1C(=O)S/C(=C/c2cccnc2)C1=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1	ZINC000103042457	555226361	/nfs/dbraw/zinc/22/63/61/555226361.db2.gz	IPLADGJLLMSDSA-CPNJWEJPSA-N	0	0	535.047	3.376	50	0		KGAARN
O=C(NCCN1C(=O)S/C(=C/c2cccnc2)C1=O)C1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1	ZINC000103042494	1059665362	/nfs/dbraw/zinc/66/53/62/1059665362.db2.gz	YYCVSAMXFVPAHS-XMHGGMMESA-N	0	0	568.599	3.354	50	0		KGAARN
O=C(NCCN1C(=O)S/C(=C/c2ccc(F)cc2)C1=O)C1CCN(S(=O)(=O)c2cccs2)CC1	ZINC000103042624	555226456	/nfs/dbraw/zinc/22/64/56/555226456.db2.gz	ASNMJNULVVLXHD-NBVRZTHBSA-N	0	0	523.633	3.141	50	0		KGAARN
COc1ccc([C@@H]2CC(c3ccc(OC)cc3OC)=NN2C(=O)CN(CCN2CCOCC2)C(=O)NC(C)C)cc1	ZINC000103042895	555226602	/nfs/dbraw/zinc/22/66/02/555226602.db2.gz	HRXWTIOHJBZGMS-MHZLTWQESA-N	0	0	567.687	3.142	50	0		KGAARN
COc1ccc([C@H]2CC(c3ccc(OC)cc3OC)=NN2C(=O)CN(CCN2CCOCC2)C(=O)NC(C)C)cc1	ZINC000103042897	555226657	/nfs/dbraw/zinc/22/66/57/555226657.db2.gz	HRXWTIOHJBZGMS-HHHXNRCGSA-N	0	0	567.687	3.142	50	0		KGAARN
O=S(=O)(c1ccc2c(c1)nc(SCc1c(F)cccc1F)n2CCCN1CCOCC1)N1CCOCC1	ZINC000103043059	555226797	/nfs/dbraw/zinc/22/67/97/555226797.db2.gz	JZRZRAGSNUNZLH-UHFFFAOYSA-N	0	0	552.669	3.350	50	0		KGAARN
O=S(=O)(c1ccc2c(c1)nc(SCc1ccccc1F)n2CCCN1CCOCC1)N1CCOCC1	ZINC000103043173	555226824	/nfs/dbraw/zinc/22/68/24/555226824.db2.gz	YDRYVFHRKWNDSO-UHFFFAOYSA-N	0	0	534.679	3.211	50	0		KGAARN
O=S(=O)(c1ccc2c(c1)nc(SCc1cc(F)ccc1F)n2CCCN1CCOCC1)N1CCOCC1	ZINC000103043222	555226802	/nfs/dbraw/zinc/22/68/02/555226802.db2.gz	FGJLQCFCSRGLKQ-UHFFFAOYSA-N	0	0	552.669	3.350	50	0		KGAARN
COc1ccc(-c2cnc3ncnn3c2N2CCN(S(=O)(=O)c3ccccc3OC(F)(F)F)CC2)cc1OC	ZINC000103043343	555226864	/nfs/dbraw/zinc/22/68/64/555226864.db2.gz	GUEKTOTUMHQIEN-UHFFFAOYSA-N	0	0	564.546	3.218	50	0		KGAARN
CCCCOc1ccc(S(=O)(=O)N2CCN(c3c(-c4ccc(OC)c(OC)c4)cnc4ncnn43)CC2)cc1	ZINC000103043461	555227091	/nfs/dbraw/zinc/22/70/91/555227091.db2.gz	IJEGUMZOOJRTQA-UHFFFAOYSA-N	0	0	552.657	3.498	50	0		KGAARN
CC(C)CN(C(=O)c1ccc(Br)c(S(=O)(=O)N2CCC(C)CC2)c1)[C@@H]1CCS(=O)(=O)C1	ZINC000103044090	555227283	/nfs/dbraw/zinc/22/72/83/555227283.db2.gz	GIEQWUPSKNOFRP-GOSISDBHSA-N	0	0	535.526	3.155	50	0		KGAARN
CC(C)CN(C(=O)c1ccc(Br)c(S(=O)(=O)N2CCC(C)CC2)c1)[C@H]1CCS(=O)(=O)C1	ZINC000103044094	555227269	/nfs/dbraw/zinc/22/72/69/555227269.db2.gz	GIEQWUPSKNOFRP-SFHVURJKSA-N	0	0	535.526	3.155	50	0		KGAARN
CCOC(=O)C1CCN(C(=O)c2nn(-c3cccc(C)c3)c(=O)n(Cc3cccc(C(F)(F)F)c3)c2=O)CC1	ZINC000103044172	555227237	/nfs/dbraw/zinc/22/72/37/555227237.db2.gz	SUIAJSXFRKEYAS-UHFFFAOYSA-N	0	0	544.530	3.185	50	0		KGAARN
COc1cc(C(=O)N(C)CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)ccc1OCC(=O)N1CCOCC1	ZINC000103044755	555227526	/nfs/dbraw/zinc/22/75/26/555227526.db2.gz	BOAMXVUGSGQSIU-UHFFFAOYSA-N	0	0	543.926	3.316	50	0		KGAARN
COc1ccc(S(=O)(=O)N(CC(=O)N2CCN(c3ccc(-c4ccc(C)cc4)nn3)CC2)CC(C)C)cc1	ZINC000103045280	555227982	/nfs/dbraw/zinc/22/79/82/555227982.db2.gz	BZNCBTFCKQCXRX-UHFFFAOYSA-N	0	0	537.686	3.456	50	0		KGAARN
COc1ccc(CCN(C)S(=O)(=O)c2ccc(OC)c(N3CCN(S(=O)(=O)c4ccc(F)cc4F)CC3)c2)cc1OC	ZINC000103045557	555227869	/nfs/dbraw/zinc/22/78/69/555227869.db2.gz	WQYHCARBCSAMCG-UHFFFAOYSA-N	0	0	625.716	3.365	50	0		KGAARN
O=C(CN1CCN(C(=O)c2csc(Nc3ccc(Cl)c(Cl)c3)n2)CC1)N1CCC2(CC1)OCCO2	ZINC000103045738	555227863	/nfs/dbraw/zinc/22/78/63/555227863.db2.gz	KRUOKZZYAWLUCF-UHFFFAOYSA-N	0	0	540.473	3.317	50	0		KGAARN
CCOc1ccc(S(=O)(=O)NCCC(=O)Nc2cc(S(=O)(=O)N(CC)CC)ccc2N2CCCC2)cc1	ZINC000103046283	555228323	/nfs/dbraw/zinc/22/83/23/555228323.db2.gz	RPDGKAWOCKZITR-UHFFFAOYSA-N	0	0	552.719	3.023	50	0		KGAARN
COc1ccc(Cl)cc1N1CCN(c2nnc(C(=O)N3CCN(C(=O)[C@@H]4CCCO4)CC3)c3ccccc32)CC1	ZINC000103046875	555228754	/nfs/dbraw/zinc/22/87/54/555228754.db2.gz	AIKXFJJRAOLFIO-VWLOTQADSA-N	0	0	565.074	3.082	50	0		KGAARN
COc1ccc(Cl)cc1N1CCN(c2nnc(C(=O)N3CCN(C(=O)[C@H]4CCCO4)CC3)c3ccccc32)CC1	ZINC000103046878	555228825	/nfs/dbraw/zinc/22/88/25/555228825.db2.gz	AIKXFJJRAOLFIO-RUZDIDTESA-N	0	0	565.074	3.082	50	0		KGAARN
COc1ccc(-c2ccc(N3CCN(C(=O)CN(Cc4ccc5c(c4)OCO5)C(=O)C4CCC4)CC3)nn2)cc1OC	ZINC000103047075	555228803	/nfs/dbraw/zinc/22/88/03/555228803.db2.gz	ALUUZEFYHUDNLS-UHFFFAOYSA-N	0	0	573.650	3.367	50	0		KGAARN
CSCC[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C(=O)NC(c1ccccc1)c1ccccc1	ZINC000103047173	555229098	/nfs/dbraw/zinc/22/90/98/555229098.db2.gz	JYAVWLTTYXIJFI-SANMLTNESA-N	0	0	567.733	3.465	50	0		KGAARN
CSCC[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C(=O)NC(c1ccccc1)c1ccccc1	ZINC000103047174	555229081	/nfs/dbraw/zinc/22/90/81/555229081.db2.gz	JYAVWLTTYXIJFI-AREMUKBSSA-N	0	0	567.733	3.465	50	0		KGAARN
COc1ccc(-c2ccc(N3CCN(C(=O)CN(C[C@@H]4CCCO4)C(=O)c4ccc(F)cc4)CC3)nn2)cc1	ZINC000103047500	555229322	/nfs/dbraw/zinc/22/93/22/555229322.db2.gz	YHLHTNJNWNYBGS-VWLOTQADSA-N	0	0	533.604	3.261	50	0		KGAARN
COc1ccc(-c2ccc(N3CCN(C(=O)CN(C[C@H]4CCCO4)C(=O)c4ccc(F)cc4)CC3)nn2)cc1	ZINC000103047502	555229333	/nfs/dbraw/zinc/22/93/33/555229333.db2.gz	YHLHTNJNWNYBGS-RUZDIDTESA-N	0	0	533.604	3.261	50	0		KGAARN
CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2C)c1	ZINC000103048391	555229745	/nfs/dbraw/zinc/22/97/45/555229745.db2.gz	LYYXOWKXACICTE-UHFFFAOYSA-N	0	0	578.757	3.289	50	0		KGAARN
COc1cc(CCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCCCC2)cc(OC)c1OC	ZINC000103048462	555229955	/nfs/dbraw/zinc/22/99/55/555229955.db2.gz	SCZWREFQEPYYGG-UHFFFAOYSA-N	0	0	547.674	3.295	50	0		KGAARN
CC(=O)N1CCN(C(=O)c2cccc(CSc3nc(N4CCN(C(C)=O)CC4)cc(C(C)(C)C)n3)c2)CC1	ZINC000103048495	555230204	/nfs/dbraw/zinc/23/02/04/555230204.db2.gz	LEGDDRNEGJBIJI-UHFFFAOYSA-N	0	0	538.718	3.039	50	0		KGAARN
CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)c2ccc(S(=O)(=O)N3CCCCCC3)cc2)c1	ZINC000103048498	555230243	/nfs/dbraw/zinc/23/02/43/555230243.db2.gz	NEBVIVZCXFMHCC-UHFFFAOYSA-N	0	0	578.757	3.371	50	0		KGAARN
CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)c2cccc(S(=O)(=O)N3CCCCCC3)c2)c1	ZINC000103048501	555230265	/nfs/dbraw/zinc/23/02/65/555230265.db2.gz	NDSKLJNKYKLXNA-UHFFFAOYSA-N	0	0	578.757	3.371	50	0		KGAARN
CCCCn1nc(C(=O)Nc2cc(S(=O)(=O)N(CC)CC)ccc2N2CCOCC2)c2ccccc2c1=O	ZINC000103048526	555230250	/nfs/dbraw/zinc/23/02/50/555230250.db2.gz	IAHAVFANZLLZRA-UHFFFAOYSA-N	0	0	541.674	3.316	50	0		KGAARN
O=C(Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCCCC1)c1cccc(S(=O)(=O)N2CCOCC2)c1	ZINC000103048697	555230400	/nfs/dbraw/zinc/23/04/00/555230400.db2.gz	SNGAPVKWZHTFBF-UHFFFAOYSA-N	0	0	576.741	3.125	50	0		KGAARN
Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CCNS(=O)(=O)c1ccccc1C(F)(F)F	ZINC000103048768	555230681	/nfs/dbraw/zinc/23/06/81/555230681.db2.gz	LUBIYVWEKBKFLW-UHFFFAOYSA-N	0	0	533.594	3.496	50	0		KGAARN
Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1	ZINC000103048773	555230701	/nfs/dbraw/zinc/23/07/01/555230701.db2.gz	FFXNHJKYTUKVIA-UHFFFAOYSA-N	0	0	590.768	3.433	50	0		KGAARN
Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCCC1	ZINC000103048781	555230679	/nfs/dbraw/zinc/23/06/79/555230679.db2.gz	DCGJPBAMTSGAGW-UHFFFAOYSA-N	0	0	534.704	3.272	50	0		KGAARN
COc1ccc(S(=O)(=O)N2CCc3cc(OC)c(OC)cc3C2)cc1N1CCN(S(=O)(=O)c2ccccc2F)CC1	ZINC000103049114	555231111	/nfs/dbraw/zinc/23/11/11/555231111.db2.gz	DNEZLAKFVOVGMT-UHFFFAOYSA-N	0	0	605.710	3.109	50	0		KGAARN
COc1cccc(S(=O)(=O)N2CCN(c3cc(S(=O)(=O)N(C)CCc4ccccc4)ccc3OC)CC2)c1	ZINC000103049143	555231056	/nfs/dbraw/zinc/23/10/56/555231056.db2.gz	XBIVGMMYGMXDDD-UHFFFAOYSA-N	0	0	559.710	3.078	50	0		KGAARN
Cc1ccc(NC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1S(=O)(=O)N1CCCCCC1	ZINC000103049255	555231197	/nfs/dbraw/zinc/23/11/97/555231197.db2.gz	MHVMJEGZPIFUOZ-UHFFFAOYSA-N	0	0	549.715	3.152	50	0		KGAARN
COc1ccc(NS(=O)(=O)c2cc(NC(=O)CN3C(=O)c4ccccc4C3=O)ccc2N2CCCC2)cc1	ZINC000103049494	555231577	/nfs/dbraw/zinc/23/15/77/555231577.db2.gz	USNXQEYAYLLOHW-UHFFFAOYSA-N	0	0	534.594	3.331	50	0		KGAARN
Cc1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCc4ccccc43)c2)cc1S(=O)(=O)N1CCOCC1	ZINC000103049657	555231775	/nfs/dbraw/zinc/23/17/75/555231775.db2.gz	RXLGTPQAMZCSOD-UHFFFAOYSA-N	0	0	541.651	3.020	50	0		KGAARN
CCOc1ccc(CN2C(=O)c3ccccc3C2=O)cc1C(=O)Nc1ccc(C)c(S(=O)(=O)N2CCOCC2)c1	ZINC000103049709	555231770	/nfs/dbraw/zinc/23/17/70/555231770.db2.gz	QALMHSKYSZRPPJ-UHFFFAOYSA-N	0	0	563.632	3.463	50	0		KGAARN
CCOc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(C)c(S(=O)(=O)N(CC)CC)c3)CC2)cc1	ZINC000103049858	555232020	/nfs/dbraw/zinc/23/20/20/555232020.db2.gz	QOSLQGQMHNRQAW-UHFFFAOYSA-N	0	0	537.704	3.464	50	0		KGAARN
O=C(CN(CCN1CCOCC1)S(=O)(=O)c1cccc2cccnc21)N(Cc1ccco1)Cc1ccccc1	ZINC000103051248	555233701	/nfs/dbraw/zinc/23/37/01/555233701.db2.gz	WIZRAYWZPVMXJF-UHFFFAOYSA-N	0	0	548.665	3.380	50	0		KGAARN
COc1ccc(S(=O)(=O)N2CCc3cc(OC)c(OC)cc3C2)cc1N1CCN(S(=O)(=O)c2cccc(C)c2)CC1	ZINC000103051577	555233859	/nfs/dbraw/zinc/23/38/59/555233859.db2.gz	HYFGOOBYEZMVED-UHFFFAOYSA-N	0	0	601.747	3.279	50	0		KGAARN
COc1ccc(S(=O)(=O)N(C)CCc2ccccc2)cc1N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1	ZINC000103051594	555234149	/nfs/dbraw/zinc/23/41/49/555234149.db2.gz	LEXPGQSWLIQNCN-UHFFFAOYSA-N	0	0	565.664	3.348	50	0		KGAARN
CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)COn1nnc2ccc(S(=O)(=O)N3CCOCC3)cc21	ZINC000103052345	555234403	/nfs/dbraw/zinc/23/44/03/555234403.db2.gz	JOHJCRJIJAOHMA-UHFFFAOYSA-N	0	0	606.082	3.078	50	0		KGAARN
CCOC(=O)c1c(C)c(C(=O)Nc2ccccc2)sc1NC(=O)COn1nnc2ccc(S(=O)(=O)N3CCCCC3)cc21	ZINC000103052371	555234345	/nfs/dbraw/zinc/23/43/45/555234345.db2.gz	BFZUUMXOVYHCJV-UHFFFAOYSA-N	0	0	626.717	3.472	50	0		KGAARN
Cc1ccc(NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2cccc(Cl)c2)cc1S(=O)(=O)N1CCOCC1	ZINC000103052578	555234378	/nfs/dbraw/zinc/23/43/78/555234378.db2.gz	QKBWMRXSVXRUMN-UHFFFAOYSA-N	0	0	578.112	3.499	50	0		KGAARN
COc1ccc(N(CC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)S(=O)(=O)c2cccs2)cc1	ZINC000103052861	555234525	/nfs/dbraw/zinc/23/45/25/555234525.db2.gz	RZECMCCLEORRRD-UHFFFAOYSA-N	0	0	586.113	3.265	50	0		KGAARN
C[C@@]1(c2cccc(Br)c2)NC(=O)N(CC(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2Cl)C1=O	ZINC000103053494	555235238	/nfs/dbraw/zinc/23/52/38/555235238.db2.gz	OWIPNNTVYFAACY-QFIPXVFZSA-N	0	0	569.865	3.293	50	0		KGAARN
C[C@]1(c2cccc(Br)c2)NC(=O)N(CC(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2Cl)C1=O	ZINC000103053496	555235241	/nfs/dbraw/zinc/23/52/41/555235241.db2.gz	OWIPNNTVYFAACY-JOCHJYFZSA-N	0	0	569.865	3.293	50	0		KGAARN
Cc1ccc(NC(=O)CN(c2cccc3cccnc32)S(=O)(=O)c2ccccc2)cc1S(=O)(=O)N1CCOCC1	ZINC000103053872	555235675	/nfs/dbraw/zinc/23/56/75/555235675.db2.gz	XXVFWIQCRJVTRD-UHFFFAOYSA-N	0	0	580.688	3.398	50	0		KGAARN
CCN(c1ccccc1)S(=O)(=O)c1cc(NC(=O)CN2C(=O)c3ccccc3S2(=O)=O)ccc1Cl	ZINC000103053970	555235850	/nfs/dbraw/zinc/23/58/50/555235850.db2.gz	QPEWBPJXRJUKMM-UHFFFAOYSA-N	0	0	534.015	3.338	50	0		KGAARN
Cc1cccc(C(C)C)c1NC(=O)COC(=O)CCC(=O)N(CC(C)C)c1c(N)n(CC(C)C)c(=O)[nH]c1=O	ZINC000103054105	555235829	/nfs/dbraw/zinc/23/58/29/555235829.db2.gz	ROJKLTIVTNXOBH-UHFFFAOYSA-N	0	0	543.665	3.158	50	0		KGAARN
CCN1C2=C(C(=O)N(CCC(=O)N3CCN(c4ccccn4)CC3)C2)[C@H](c2ccc(Cl)cc2Cl)NC1=O	ZINC000103054809	555236306	/nfs/dbraw/zinc/23/63/06/555236306.db2.gz	QHHLMCZZHOHCEH-DEOSSOPVSA-N	0	0	543.455	3.310	50	0		KGAARN
CCN1C2=C(C(=O)N(CCC(=O)N3CCN(c4ccccn4)CC3)C2)[C@@H](c2ccc(Cl)cc2Cl)NC1=O	ZINC000103054812	555236482	/nfs/dbraw/zinc/23/64/82/555236482.db2.gz	QHHLMCZZHOHCEH-XMMPIXPASA-N	0	0	543.455	3.310	50	0		KGAARN
O=C(COC(=O)c1cccc(NS(=O)(=O)/C=C\c2ccccc2)c1)NC(=O)Nc1ccc2c(c1)OCCO2	ZINC000103054877	1059665488	/nfs/dbraw/zinc/66/54/88/1059665488.db2.gz	IKZMAGXSWOUNAB-KAMYIIQDSA-N	0	0	537.550	3.376	50	0		KGAARN
Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)O[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1	ZINC000103055135	555236799	/nfs/dbraw/zinc/23/67/99/555236799.db2.gz	WXAAEKHJNZGFFM-SFHVURJKSA-N	0	0	547.033	3.098	50	0		KGAARN
Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)O[C@H](C)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1	ZINC000103055140	555236773	/nfs/dbraw/zinc/23/67/73/555236773.db2.gz	WXAAEKHJNZGFFM-GOSISDBHSA-N	0	0	547.033	3.098	50	0		KGAARN
Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2C)CC1	ZINC000103055156	555236716	/nfs/dbraw/zinc/23/67/16/555236716.db2.gz	JOLCZKTVUHHEBA-UHFFFAOYSA-N	0	0	545.061	3.200	50	0		KGAARN
COc1ccc(-c2cnc3ncnn3c2N2CCN(S(=O)(=O)c3ccc(OC(F)(F)F)cc3)CC2)cc1OC	ZINC000103055197	555236761	/nfs/dbraw/zinc/23/67/61/555236761.db2.gz	UXUCJCDISIXWOW-UHFFFAOYSA-N	0	0	564.546	3.218	50	0		KGAARN
COc1ccc(-c2cnc3ncnn3c2N2CCN(S(=O)(=O)c3cccc(OC(F)(F)F)c3)CC2)cc1OC	ZINC000103055231	555236753	/nfs/dbraw/zinc/23/67/53/555236753.db2.gz	NDTRCCNFSAEKLQ-UHFFFAOYSA-N	0	0	564.546	3.218	50	0		KGAARN
O=C(COc1cccc(C(=O)NCc2ccccc2)c1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1	ZINC000103055545	555237027	/nfs/dbraw/zinc/23/70/27/555237027.db2.gz	HKNMOPOQUDAGCN-UHFFFAOYSA-N	0	0	528.030	3.182	50	0		KGAARN
COC(=O)Cn1c(=O)c(C(=O)CSc2cc(C)c3cc(C)cc(C)c3n2)c(N)n(Cc2ccccc2)c1=O	ZINC000103056004	555237416	/nfs/dbraw/zinc/23/74/16/555237416.db2.gz	POFNRTMYECTPML-UHFFFAOYSA-N	0	0	532.622	3.262	50	0		KGAARN
CCOC(=O)[C@@H]1CCCN(C(=O)c2ccc(CSc3nc(C)c(C)c(N4CCN(C(C)=O)CC4)n3)cc2)C1	ZINC000103056012	555237393	/nfs/dbraw/zinc/23/73/93/555237393.db2.gz	QMBLBUTTZSROLZ-XMMPIXPASA-N	0	0	539.702	3.470	50	0		KGAARN
CCOC(=O)[C@H]1CCCN(C(=O)c2ccc(CSc3nc(C)c(C)c(N4CCN(C(C)=O)CC4)n3)cc2)C1	ZINC000103056015	555237429	/nfs/dbraw/zinc/23/74/29/555237429.db2.gz	QMBLBUTTZSROLZ-DEOSSOPVSA-N	0	0	539.702	3.470	50	0		KGAARN
CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(SCC(=O)N1CCN(S(=O)(=O)c3ccc(C)cc3)CC1)n2CC	ZINC000103056198	555237385	/nfs/dbraw/zinc/23/73/85/555237385.db2.gz	IMQJXNZCDGQYSF-UHFFFAOYSA-N	0	0	593.797	3.020	50	0		KGAARN
C[C@H](OC(=O)c1ccc2c(c1)nc1n(c2=O)CCC1)C(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl	ZINC000103056964	555237866	/nfs/dbraw/zinc/23/78/66/555237866.db2.gz	HKYDVOUCKPFMDN-INIZCTEOSA-N	0	0	559.044	3.355	50	0		KGAARN
C[C@@H](OC(=O)c1ccc2c(c1)nc1n(c2=O)CCC1)C(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl	ZINC000103056965	555237896	/nfs/dbraw/zinc/23/78/96/555237896.db2.gz	HKYDVOUCKPFMDN-MRXNPFEDSA-N	0	0	559.044	3.355	50	0		KGAARN
Cc1ccc(NC(=O)COC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2N2CCOCC2)c(Cl)c1	ZINC000103057077	555238172	/nfs/dbraw/zinc/23/81/72/555238172.db2.gz	MRVGXFGEMMTKCU-UHFFFAOYSA-N	0	0	536.050	3.455	50	0		KGAARN
O=C(COC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1)Nc1ccc(Br)cc1F	ZINC000103057084	555238154	/nfs/dbraw/zinc/23/81/54/555238154.db2.gz	XWEHFELDYIEGPD-UHFFFAOYSA-N	0	0	584.464	3.395	50	0		KGAARN
COc1cc(C(=O)OCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)ccc1OCc1c(C)noc1C	ZINC000103057195	555238168	/nfs/dbraw/zinc/23/81/68/555238168.db2.gz	UEASNRHEGCMTJB-UHFFFAOYSA-N	0	0	594.042	3.349	50	0		KGAARN
COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CSc1nnc(COc2cc(C)ccc2C)o1	ZINC000103057280	555238427	/nfs/dbraw/zinc/23/84/27/555238427.db2.gz	QOZNBPPSOZEADU-UHFFFAOYSA-N	0	0	548.643	3.026	50	0		KGAARN
COc1cc(C(=O)N2CCN(c3ncccc3C(=O)NCCc3ccc(OC)c(OC)c3)CC2)cc(Cl)n1	ZINC000103057367	555238431	/nfs/dbraw/zinc/23/84/31/555238431.db2.gz	FWEWZNMLPXHMEH-UHFFFAOYSA-N	0	0	540.020	3.091	50	0		KGAARN
Cc1ccc(N2C[C@H](C(=O)OCC(=O)Nc3cc(S(=O)(=O)N4CCCCC4)ccc3Cl)CC2=O)cc1	ZINC000103057479	555238372	/nfs/dbraw/zinc/23/83/72/555238372.db2.gz	YCUBEZISSHAKRQ-GOSISDBHSA-N	0	0	534.034	3.358	50	0		KGAARN
Cc1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3cc(S(=O)(=O)N4CCCCC4)ccc3Cl)CC2=O)cc1	ZINC000103057481	555238299	/nfs/dbraw/zinc/23/82/99/555238299.db2.gz	YCUBEZISSHAKRQ-SFHVURJKSA-N	0	0	534.034	3.358	50	0		KGAARN
O=C(COC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCC1)N[C@H]1CCCc2ccccc21	ZINC000103057675	555238632	/nfs/dbraw/zinc/23/86/32/555238632.db2.gz	LWTHHHUWVVXBQV-VWLOTQADSA-N	0	0	541.670	3.048	50	0		KGAARN
O=C(COC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCC1)N[C@@H]1CCCc2ccccc21	ZINC000103057679	555238648	/nfs/dbraw/zinc/23/86/48/555238648.db2.gz	LWTHHHUWVVXBQV-RUZDIDTESA-N	0	0	541.670	3.048	50	0		KGAARN
CCN(CC)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)OCC(=O)c2c(OC)cc(OC)cc2OC)c1	ZINC000103057868	555238873	/nfs/dbraw/zinc/23/88/73/555238873.db2.gz	RCAMEUXQWRZGFS-UHFFFAOYSA-N	0	0	534.631	3.383	50	0		KGAARN
Cc1ccc(S(=O)(=O)N(CC(=O)N2CCCN(c3ccc(-c4ccc(F)cc4)nn3)CC2)C[C@@H]2CCCO2)cc1	ZINC000103058152	555238790	/nfs/dbraw/zinc/23/87/90/555238790.db2.gz	FMLCORUAEUCCNA-VWLOTQADSA-N	0	0	567.687	3.500	50	0		KGAARN
Cc1ccc(S(=O)(=O)N(CC(=O)N2CCCN(c3ccc(-c4ccc(F)cc4)nn3)CC2)C[C@H]2CCCO2)cc1	ZINC000103058155	555238877	/nfs/dbraw/zinc/23/88/77/555238877.db2.gz	FMLCORUAEUCCNA-RUZDIDTESA-N	0	0	567.687	3.500	50	0		KGAARN
COc1ccc(S(=O)(=O)N(CC(=O)N2CCCN(c3ccc(-c4ccc(F)cc4)nn3)CC2)C[C@@H]2CCCO2)cc1	ZINC000103058181	555238844	/nfs/dbraw/zinc/23/88/44/555238844.db2.gz	JNQLNQJDXSQYSN-VWLOTQADSA-N	0	0	583.686	3.200	50	0		KGAARN
COc1ccc(S(=O)(=O)N(CC(=O)N2CCCN(c3ccc(-c4ccc(F)cc4)nn3)CC2)C[C@H]2CCCO2)cc1	ZINC000103058184	555238871	/nfs/dbraw/zinc/23/88/71/555238871.db2.gz	JNQLNQJDXSQYSN-RUZDIDTESA-N	0	0	583.686	3.200	50	0		KGAARN
COc1ccc(N(Cc2ccccc2)S(=O)(=O)c2cc(C(=O)OCC(=O)NC(N)=O)ccc2Cl)cc1	ZINC000103058212	555238786	/nfs/dbraw/zinc/23/87/86/555238786.db2.gz	SGFGTHODLGQZKO-UHFFFAOYSA-N	0	0	531.974	3.096	50	0		KGAARN
CCOC(=O)[C@H]1CCCN(C(=O)CCN2CC3=C(C2=O)[C@H](c2ccc(Cl)cc2Cl)NC(=O)N3CC)C1	ZINC000103058280	555239148	/nfs/dbraw/zinc/23/91/48/555239148.db2.gz	WLNFVSURZGBRQG-NYHFZMIOSA-N	0	0	537.444	3.368	50	0		KGAARN
CCOC(=O)[C@H]1CCCN(C(=O)CCN2CC3=C(C2=O)[C@@H](c2ccc(Cl)cc2Cl)NC(=O)N3CC)C1	ZINC000103058282	555239098	/nfs/dbraw/zinc/23/90/98/555239098.db2.gz	WLNFVSURZGBRQG-OYHNWAKOSA-N	0	0	537.444	3.368	50	0		KGAARN
CCOC(=O)[C@@H]1CCCN(C(=O)CCN2CC3=C(C2=O)[C@H](c2ccc(Cl)cc2Cl)NC(=O)N3CC)C1	ZINC000103058284	555239171	/nfs/dbraw/zinc/23/91/71/555239171.db2.gz	WLNFVSURZGBRQG-QRQCRPRQSA-N	0	0	537.444	3.368	50	0		KGAARN
CCOC(=O)[C@@H]1CCCN(C(=O)CCN2CC3=C(C2=O)[C@@H](c2ccc(Cl)cc2Cl)NC(=O)N3CC)C1	ZINC000103058286	555239111	/nfs/dbraw/zinc/23/91/11/555239111.db2.gz	WLNFVSURZGBRQG-IVZQSRNASA-N	0	0	537.444	3.368	50	0		KGAARN
CCCCCn1nc(C(=O)OCC(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2Cl)c2ccccc2c1=O	ZINC000103058305	555239095	/nfs/dbraw/zinc/23/90/95/555239095.db2.gz	FJZUNZPOOPHJHB-UHFFFAOYSA-N	0	0	535.022	3.286	50	0		KGAARN
CCc1sc2nc(SCC(=O)N(CC)[C@H]3CCS(=O)(=O)C3)n(-c3cccc(OC)c3)c(=O)c2c1C	ZINC000103058399	555239313	/nfs/dbraw/zinc/23/93/13/555239313.db2.gz	ULTNFJMWJPRHAT-KRWDZBQOSA-N	0	0	535.713	3.454	50	0		KGAARN
CCOC(=O)c1c(C)c(C(=O)N(C)C)sc1NC(=O)COC(=O)Cn1c2ccccc2nc1C(F)(F)F	ZINC000103059554	555240008	/nfs/dbraw/zinc/24/00/08/555240008.db2.gz	HQAPXRAWNFXJBD-UHFFFAOYSA-N	0	0	540.520	3.485	50	0		KGAARN
CCOC(=O)c1c(C)c(C(=O)N(C)C)sc1NC(=O)COC(=O)[C@@H](CCSC)NC(=O)c1cccc(C)c1	ZINC000103059940	555240648	/nfs/dbraw/zinc/24/06/48/555240648.db2.gz	IFFCBUGKDMSLPU-GOSISDBHSA-N	0	0	563.698	3.277	50	0		KGAARN
CCOC(=O)c1c(C)c(C(=O)N(C)C)sc1NC(=O)COC(=O)[C@H](CCSC)NC(=O)c1cccc(C)c1	ZINC000103059944	555240554	/nfs/dbraw/zinc/24/05/54/555240554.db2.gz	IFFCBUGKDMSLPU-SFHVURJKSA-N	0	0	563.698	3.277	50	0		KGAARN
COCCN(C(=O)COC(=O)c1cc(-c2ccccc2)nc2ccc(C)cc21)c1c(N)n(CC(C)C)c(=O)[nH]c1=O	ZINC000103060386	555241333	/nfs/dbraw/zinc/24/13/33/555241333.db2.gz	WBVPJMCXROPZDR-UHFFFAOYSA-N	0	0	559.623	3.135	50	0		KGAARN
Cc1sc2ncn(CC(=O)Nc3cccc(S(=O)(=O)N4CCOCC4)c3)c(=O)c2c1-c1ccccc1	ZINC000103060479	555241665	/nfs/dbraw/zinc/24/16/65/555241665.db2.gz	URUUQEGLLCCZOQ-UHFFFAOYSA-N	0	0	524.624	3.093	50	0		KGAARN
CCOC(=O)c1cc(CC)sc1NC(=O)COC(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCCC1	ZINC000103060523	555241796	/nfs/dbraw/zinc/24/17/96/555241796.db2.gz	YBTYIGMSZDSOEE-UHFFFAOYSA-N	0	0	537.660	3.133	50	0		KGAARN
CN(C)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)OCC(=O)NCCc2ccc(Cl)cc2Cl)c1	ZINC000103060542	555241819	/nfs/dbraw/zinc/24/18/19/555241819.db2.gz	MKRMHGKFXQUHDN-UHFFFAOYSA-N	0	0	528.458	3.360	50	0		KGAARN
O=C(COC(=O)c1ccc(NC(=O)CSc2nnc3sc4ccccc4n23)cc1)NC(=O)NCc1ccco1	ZINC000103060585	555241797	/nfs/dbraw/zinc/24/17/97/555241797.db2.gz	QWSMULDPXBFXAX-UHFFFAOYSA-N	0	0	564.605	3.451	50	0		KGAARN
CCCCn1c(CCC(=O)OCC(=O)Nc2ccc(C(C)=O)cc2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	ZINC000103061004	555242205	/nfs/dbraw/zinc/24/22/05/555242205.db2.gz	DACDIGYLWKRWCE-UHFFFAOYSA-N	0	0	570.668	3.174	50	0		KGAARN
CCCCn1c(CCC(=O)OCC(=O)Nc2ccc(F)cc2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	ZINC000103061019	555242211	/nfs/dbraw/zinc/24/22/11/555242211.db2.gz	ZFWGUTKLQAZZEM-UHFFFAOYSA-N	0	0	546.621	3.111	50	0		KGAARN
CCCCn1c(CCC(=O)OCC(=O)Nc2ccccc2OCC)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	ZINC000103061028	555242202	/nfs/dbraw/zinc/24/22/02/555242202.db2.gz	DAUUDQINDYXRKM-UHFFFAOYSA-N	0	0	572.684	3.371	50	0		KGAARN
CCCCn1c(CCC(=O)OCC(=O)Nc2c(F)cccc2F)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	ZINC000103061030	555242198	/nfs/dbraw/zinc/24/21/98/555242198.db2.gz	BEJAMGYLKOJWBM-UHFFFAOYSA-N	0	0	564.611	3.250	50	0		KGAARN
CCCCn1c(CCC(=O)OCC(=O)Nc2ccc(C)cc2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	ZINC000103061036	555242201	/nfs/dbraw/zinc/24/22/01/555242201.db2.gz	IMMOTWXOVAJUMI-UHFFFAOYSA-N	0	0	542.658	3.280	50	0		KGAARN
CCCCn1c(CCC(=O)OCC(=O)Nc2ccccc2C(C)=O)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	ZINC000103061052	555242212	/nfs/dbraw/zinc/24/22/12/555242212.db2.gz	MOMYYTNFIXUSLZ-UHFFFAOYSA-N	0	0	570.668	3.174	50	0		KGAARN
CCCCn1c(CCC(=O)OCC(=O)Nc2ccc3c(c2)CCC3)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	ZINC000103061054	555242219	/nfs/dbraw/zinc/24/22/19/555242219.db2.gz	YFVYMEUTHMKNTI-UHFFFAOYSA-N	0	0	568.696	3.461	50	0		KGAARN
CCCCn1c(CCC(=O)OCC(=O)Nc2cccnc2Cl)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	ZINC000103061073	555242406	/nfs/dbraw/zinc/24/24/06/555242406.db2.gz	MXCJYSXZLQZIGC-UHFFFAOYSA-N	0	0	564.064	3.020	50	0		KGAARN
COCc1cc(N2CCN(c3ccccc3F)CC2)nc(SCc2ccc(C(=O)N3CCN(C(C)=O)CC3)o2)n1	ZINC000103061834	555243144	/nfs/dbraw/zinc/24/31/44/555243144.db2.gz	JLNYSDVNKWVZFZ-UHFFFAOYSA-N	0	0	568.675	3.278	50	0		KGAARN
CCN(C(=O)COC(=O)c1cc(Br)c(OCc2ccccc2)c(OC)c1)[C@@H]1CCS(=O)(=O)C1	ZINC000103062042	555243091	/nfs/dbraw/zinc/24/30/91/555243091.db2.gz	RYSHNKKCHLQIQG-GOSISDBHSA-N	0	0	540.432	3.229	50	0		KGAARN
CCN(C(=O)COC(=O)c1cc(Br)c(OCc2ccccc2)c(OC)c1)[C@H]1CCS(=O)(=O)C1	ZINC000103062044	555243157	/nfs/dbraw/zinc/24/31/57/555243157.db2.gz	RYSHNKKCHLQIQG-SFHVURJKSA-N	0	0	540.432	3.229	50	0		KGAARN
Cc1ccc(S(=O)(=O)N2CCN(C(=O)CSc3nnc(-c4ccncc4)n3Cc3ccccc3)CC2)cc1	ZINC000103062853	555243721	/nfs/dbraw/zinc/24/37/21/555243721.db2.gz	MWOGWJVDGYPYMO-UHFFFAOYSA-N	0	0	548.694	3.322	50	0		KGAARN
O=C(CSc1nc2sc3c(c2c(=O)n1-c1ccc(Cl)cc1)CCCC3)N[C@@H]1CCS(=O)(=O)C1	ZINC000103063442	555244209	/nfs/dbraw/zinc/24/42/09/555244209.db2.gz	PLUILMQTQPTESP-CQSZACIVSA-N	0	0	524.089	3.375	50	0		KGAARN
O=C(CSc1nc2sc3c(c2c(=O)n1-c1ccc(Cl)cc1)CCCC3)N[C@H]1CCS(=O)(=O)C1	ZINC000103063443	555244261	/nfs/dbraw/zinc/24/42/61/555244261.db2.gz	PLUILMQTQPTESP-AWEZNQCLSA-N	0	0	524.089	3.375	50	0		KGAARN
COc1cccc(C(=O)N[C@H](C(=O)NCc2ccco2)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c1	ZINC000103063451	555244212	/nfs/dbraw/zinc/24/42/12/555244212.db2.gz	XTKDEQFVLQHKSI-DEOSSOPVSA-N	0	0	546.045	3.457	50	0		KGAARN
COc1cccc(C(=O)N[C@@H](C(=O)NCc2ccco2)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c1	ZINC000103063454	555244204	/nfs/dbraw/zinc/24/42/04/555244204.db2.gz	XTKDEQFVLQHKSI-XMMPIXPASA-N	0	0	546.045	3.457	50	0		KGAARN
CCN(C(=O)CSc1nc2sc3c(c2c(=O)n1CCc1ccccc1)CCC3)[C@H]1CCS(=O)(=O)C1	ZINC000103063477	555244186	/nfs/dbraw/zinc/24/41/86/555244186.db2.gz	RARZEADIBFYZOF-SFHVURJKSA-N	0	0	531.725	3.317	50	0		KGAARN
Cn1c(SCC(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)nnc1-c1ccccc1F	ZINC000103063821	555244429	/nfs/dbraw/zinc/24/44/29/555244429.db2.gz	HUFWWZHGUGXRNY-UHFFFAOYSA-N	0	0	526.015	3.026	50	0		KGAARN
CCCS(=O)(=O)N(CCOC)CC(=O)N(Cc1cccc(Cl)c1)C1CCN(C(=O)NC(C)(C)C)CC1	ZINC000103064042	555244720	/nfs/dbraw/zinc/24/47/20/555244720.db2.gz	IFQPVTKFRSUGQP-UHFFFAOYSA-N	0	0	545.146	3.329	50	0		KGAARN
COc1ccc(OC)c([C@@H]2CC(c3ccccc3F)=NN2C(=O)CN(CCN2CCOCC2)C(=O)NC(C)C)c1	ZINC000103064125	555244728	/nfs/dbraw/zinc/24/47/28/555244728.db2.gz	HBDVFPABPYTZQP-SANMLTNESA-N	0	0	555.651	3.273	50	0		KGAARN
COc1ccc(OC)c([C@H]2CC(c3ccccc3F)=NN2C(=O)CN(CCN2CCOCC2)C(=O)NC(C)C)c1	ZINC000103064128	555244732	/nfs/dbraw/zinc/24/47/32/555244732.db2.gz	HBDVFPABPYTZQP-AREMUKBSSA-N	0	0	555.651	3.273	50	0		KGAARN
CCCNC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2ccccc2F)C[C@H]1c1cc(OC)ccc1OC	ZINC000103064153	555244730	/nfs/dbraw/zinc/24/47/30/555244730.db2.gz	ZIEAXUDSKXSTSK-SANMLTNESA-N	0	0	555.651	3.274	50	0		KGAARN
CCCNC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2ccccc2F)C[C@@H]1c1cc(OC)ccc1OC	ZINC000103064155	555244704	/nfs/dbraw/zinc/24/47/04/555244704.db2.gz	ZIEAXUDSKXSTSK-AREMUKBSSA-N	0	0	555.651	3.274	50	0		KGAARN
CCCNC(=O)N(CCOC)CC(=O)N1N=C(c2ccc(OC)cc2OC)C[C@H]1c1ccc(OC)c(OC)c1	ZINC000103064246	555244888	/nfs/dbraw/zinc/24/48/88/555244888.db2.gz	WMZPMMNZCXGVJR-QHCPKHFHSA-N	0	0	542.633	3.467	50	0		KGAARN
CCCNC(=O)N(CCOC)CC(=O)N1N=C(c2ccc(OC)cc2OC)C[C@@H]1c1ccc(OC)c(OC)c1	ZINC000103064248	555244912	/nfs/dbraw/zinc/24/49/12/555244912.db2.gz	WMZPMMNZCXGVJR-HSZRJFAPSA-N	0	0	542.633	3.467	50	0		KGAARN
COCCN(C(=O)CSc1nnc(-c2ccc(F)cc2)n1-c1ccccc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	ZINC000103064698	555245451	/nfs/dbraw/zinc/24/54/51/555245451.db2.gz	NCBBTJHHUJITMW-UHFFFAOYSA-N	0	0	601.664	3.326	50	0		KGAARN
Cc1ccc(CS(=O)(=O)c2ncc(CN(CCN3CCOCC3)C(=O)C3CC3)n2Cc2ccccc2)cc1	ZINC000103065307	555245823	/nfs/dbraw/zinc/24/58/23/555245823.db2.gz	VNNHNXVKSORDKG-UHFFFAOYSA-N	0	0	536.698	3.285	50	0		KGAARN
O=C(COC(=O)CCCCCNS(=O)(=O)c1ccc2c(c1)OCCO2)NCc1ccc(Cl)cc1Cl	ZINC000103066088	555246534	/nfs/dbraw/zinc/24/65/34/555246534.db2.gz	JSIIUXLFNIVYDW-UHFFFAOYSA-N	0	0	545.441	3.463	50	0		KGAARN
CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)OCC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)c1	ZINC000103066770	555246974	/nfs/dbraw/zinc/24/69/74/555246974.db2.gz	IZVXPBFMUUVCFK-UHFFFAOYSA-N	0	0	578.496	3.214	50	0		KGAARN
O=C(CSc1nnc2c(Cl)cc(Cl)cn12)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl	ZINC000103066798	555246983	/nfs/dbraw/zinc/24/69/83/555246983.db2.gz	OERFPXOTWMKNQG-UHFFFAOYSA-N	0	0	536.850	3.441	50	0		KGAARN
Cc1cc(NC(=O)CSc2nnc(-c3cccc(S(=O)(=O)N4CCOCC4)c3)n2C2CCCC2)no1	ZINC000103067129	555247414	/nfs/dbraw/zinc/24/74/14/555247414.db2.gz	BNBQKDSDAXOZGW-UHFFFAOYSA-N	0	0	532.648	3.108	50	0		KGAARN
COc1ccc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3)o2)cc1S(=O)(=O)N1CCOCC1	ZINC000103067324	555247615	/nfs/dbraw/zinc/24/76/15/555247615.db2.gz	GYYQWNBTPFPDNR-UHFFFAOYSA-N	0	0	525.008	3.150	50	0		KGAARN
CC(=O)Nc1sc2c(c1C(=O)OCC(=O)Nc1cc(S(=O)(=O)N3CCOCC3)ccc1Cl)CCCC2	ZINC000103067373	555247644	/nfs/dbraw/zinc/24/76/44/555247644.db2.gz	NDNRTWMDVARGOM-UHFFFAOYSA-N	0	0	556.062	3.055	50	0		KGAARN
CC(=O)Nc1sc2c(c1C(=O)OCC(=O)Nc1c(Cl)cc(S(N)(=O)=O)cc1Cl)CCCC2	ZINC000103067384	555247629	/nfs/dbraw/zinc/24/76/29/555247629.db2.gz	CPPRHFDBDLHDHA-UHFFFAOYSA-N	0	0	520.416	3.335	50	0		KGAARN
CCOC(=O)c1c(C)c(C(=O)Nc2ccccc2)sc1NC(=O)COC(=O)CN1C(=O)[C@@H]2CCCC[C@@H]2C1=O	ZINC000103067543	555247631	/nfs/dbraw/zinc/24/76/31/555247631.db2.gz	FEQXRDMXHDLFKY-HDICACEKSA-N	0	0	555.609	3.142	50	0		KGAARN
CCOC(=O)c1c(C)c(C(=O)Nc2ccccc2)sc1NC(=O)COC(=O)CN1C(=O)[C@H]2CCCC[C@@H]2C1=O	ZINC000103067546	555247627	/nfs/dbraw/zinc/24/76/27/555247627.db2.gz	FEQXRDMXHDLFKY-ROUUACIJSA-N	0	0	555.609	3.142	50	0		KGAARN
CCOC(=O)c1c(C)c(C(=O)Nc2ccccc2)sc1NC(=O)COC(=O)CN1C(=O)[C@@H]2CCCC[C@H]2C1=O	ZINC000103067549	555247798	/nfs/dbraw/zinc/24/77/98/555247798.db2.gz	FEQXRDMXHDLFKY-QZTJIDSGSA-N	0	0	555.609	3.142	50	0		KGAARN
Cc1c(NC(=O)[C@H](C)OC(=O)[C@@H]2CS[C@@]3(c4ccc(F)cc4)CCC(=O)N23)c(=O)n(-c2ccccc2)n1C	ZINC000103067946	555248286	/nfs/dbraw/zinc/24/82/86/555248286.db2.gz	UAGUUJAZAFUUQH-SJQPRBQBSA-N	0	0	538.601	3.085	50	0		KGAARN
O=C(C1CC1)N(CCN1CCOCC1)Cc1cnc(S(=O)(=O)Cc2ccc(F)cc2)n1Cc1ccccc1	ZINC000103067995	555248268	/nfs/dbraw/zinc/24/82/68/555248268.db2.gz	JAOPNZFBYAMQIU-UHFFFAOYSA-N	0	0	540.661	3.115	50	0		KGAARN
CC(C)C(=O)N(CCN1CCOCC1)Cc1cnc(S(=O)(=O)Cc2ccc(F)cc2)n1Cc1ccccc1	ZINC000103068005	555248292	/nfs/dbraw/zinc/24/82/92/555248292.db2.gz	WLPJZMUOZYPGBR-UHFFFAOYSA-N	0	0	542.677	3.361	50	0		KGAARN
O=C(COC(=O)CCCc1nc2ccccc2s1)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1	ZINC000103068085	555248566	/nfs/dbraw/zinc/24/85/66/555248566.db2.gz	FABIMWZUKPOUCH-UHFFFAOYSA-N	0	0	538.047	3.475	50	0		KGAARN
CC(C)C(=O)N(CCN1CCOCC1)Cc1cnc(S(=O)(=O)Cc2ccccc2F)n1Cc1ccccc1	ZINC000103068214	555248749	/nfs/dbraw/zinc/24/87/49/555248749.db2.gz	GJUAMFDEPHAQLF-UHFFFAOYSA-N	0	0	542.677	3.361	50	0		KGAARN
Cc1ccccc1CS(=O)(=O)c1ncc(CN(CCN2CCOCC2)C(=O)C2CC2)n1Cc1ccccc1	ZINC000103068443	555249054	/nfs/dbraw/zinc/24/90/54/555249054.db2.gz	HKTYTPIKQXFRKP-UHFFFAOYSA-N	0	0	536.698	3.285	50	0		KGAARN
Cn1c(N)c(C(=O)CSc2nnc(-c3ccc(Br)cc3)n2C2CCCCC2)c(=O)n(C)c1=O	ZINC000103068531	555249209	/nfs/dbraw/zinc/24/92/09/555249209.db2.gz	YYZCHDRUXBRDNS-UHFFFAOYSA-N	0	0	533.452	3.167	50	0		KGAARN
O=C(C1CC1)N(CCN1CCOCC1)Cc1cnc(S(=O)(=O)Cc2ccccc2F)n1Cc1ccccc1	ZINC000103068535	555249253	/nfs/dbraw/zinc/24/92/53/555249253.db2.gz	OWTWBFHMNFWSSG-UHFFFAOYSA-N	0	0	540.661	3.115	50	0		KGAARN
O=C(CSc1nnc2sc3ccccc3n12)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl	ZINC000103068984	555249721	/nfs/dbraw/zinc/24/97/21/555249721.db2.gz	OTIOEMYXDVRLNE-UHFFFAOYSA-N	0	0	524.049	3.349	50	0		KGAARN
Cc1cc(C(=O)COC(=O)CNC(=O)c2ccc(Br)o2)c(C)n1C[C@@H]1COc2ccccc2O1	ZINC000103069576	555250090	/nfs/dbraw/zinc/25/00/90/555250090.db2.gz	LIIHLQQIZZHTBR-MRXNPFEDSA-N	0	0	531.359	3.456	50	0		KGAARN
Cc1cc(C(=O)COC(=O)CNC(=O)c2ccc(Br)o2)c(C)n1C[C@H]1COc2ccccc2O1	ZINC000103069580	555250083	/nfs/dbraw/zinc/25/00/83/555250083.db2.gz	LIIHLQQIZZHTBR-INIZCTEOSA-N	0	0	531.359	3.456	50	0		KGAARN
O=C(CSc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)n1-c1ccc(F)cc1)NCc1ccc2c(c1)OCO2	ZINC000103069825	555250499	/nfs/dbraw/zinc/25/04/99/555250499.db2.gz	TWURSJHXAUUDQH-UHFFFAOYSA-N	0	0	611.677	3.232	50	0		KGAARN
O=C(CSc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)n1-c1ccc(F)cc1)NCc1ccco1	ZINC000103069833	555250531	/nfs/dbraw/zinc/25/05/31/555250531.db2.gz	HEEOSMLHEFUKEP-UHFFFAOYSA-N	0	0	557.629	3.096	50	0		KGAARN
O=C(CSc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)n1-c1ccc(F)cc1)c1ccc(O)cc1O	ZINC000103069838	555250528	/nfs/dbraw/zinc/25/05/28/555250528.db2.gz	ZEECCFWABQFAMM-UHFFFAOYSA-N	0	0	570.624	3.481	50	0		KGAARN
CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)N3CCOCC3)n2CCc2ccccc2)c1	ZINC000103069902	555250691	/nfs/dbraw/zinc/25/06/91/555250691.db2.gz	UGBYJYXYZPTHSK-UHFFFAOYSA-N	0	0	543.715	3.169	50	0		KGAARN
O=C(COC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1)NC(c1ccccc1)c1ccccc1	ZINC000103070290	555251264	/nfs/dbraw/zinc/25/12/64/555251264.db2.gz	VNJTWJKHQYVLNQ-UHFFFAOYSA-N	0	0	550.633	3.308	50	0		KGAARN
C[C@H](OC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1)C(=O)Nc1ncc(Cl)cc1Cl	ZINC000103070317	555251181	/nfs/dbraw/zinc/25/11/81/555251181.db2.gz	UKRJCZDJCNFCQD-ZDUSSCGKSA-N	0	0	544.413	3.131	50	0		KGAARN
C[C@@H](OC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1)C(=O)Nc1ncc(Cl)cc1Cl	ZINC000103070319	555251177	/nfs/dbraw/zinc/25/11/77/555251177.db2.gz	UKRJCZDJCNFCQD-CYBMUJFWSA-N	0	0	544.413	3.131	50	0		KGAARN
Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1/C=C\C(=O)O[C@@H](C)C(=O)Nc1ncc(Cl)cc1Cl	ZINC000103070484	1059665455	/nfs/dbraw/zinc/66/54/55/1059665455.db2.gz	YSYDRJCHMVMLBU-BOYPOZMQSA-N	0	0	521.810	3.490	50	0		KGAARN
CCOC(=O)c1c(C)c(C)sc1NC(=O)COC(=O)/C=C\c1c(C)nn([C@@H]2CCS(=O)(=O)C2)c1Cl	ZINC000103070544	1059665522	/nfs/dbraw/zinc/66/55/22/1059665522.db2.gz	ZDAKZDMHZADMCE-IDTUSYRASA-N	0	0	544.051	3.255	50	0		KGAARN
CCOC(=O)c1c(C)c(C)sc1NC(=O)COC(=O)/C=C\c1c(C)nn([C@H]2CCS(=O)(=O)C2)c1Cl	ZINC000103070545	1059666588	/nfs/dbraw/zinc/66/65/88/1059666588.db2.gz	ZDAKZDMHZADMCE-XHPSBEMXSA-N	0	0	544.051	3.255	50	0		KGAARN
CCOC(=O)c1c2c(sc1NC(=O)COC(=O)/C=C\c1c(C)nn([C@@H]3CCS(=O)(=O)C3)c1Cl)CCC2	ZINC000103070585	1059666451	/nfs/dbraw/zinc/66/64/51/1059666451.db2.gz	AIQWLWZZXQEVAO-WBTMPAOCSA-N	0	0	556.062	3.127	50	0		KGAARN
CCOC(=O)c1c2c(sc1NC(=O)COC(=O)/C=C\c1c(C)nn([C@H]3CCS(=O)(=O)C3)c1Cl)CCC2	ZINC000103070587	1059666467	/nfs/dbraw/zinc/66/64/67/1059666467.db2.gz	AIQWLWZZXQEVAO-DANTVBBOSA-N	0	0	556.062	3.127	50	0		KGAARN
O=C(COC(=O)C1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1)Nc1ccc2c(c1)OCCO2	ZINC000103071408	555251837	/nfs/dbraw/zinc/25/18/37/555251837.db2.gz	XAFPZXSCAWJBQH-UHFFFAOYSA-N	0	0	528.505	3.059	50	0		KGAARN
COc1ccc(-n2c(SCC(=O)c3c(N)n(Cc4ccccc4)c(=O)n(C)c3=O)nnc2-c2ccccc2)cc1	ZINC000103072600	555252264	/nfs/dbraw/zinc/25/22/64/555252264.db2.gz	FRFHODZVZINEPT-UHFFFAOYSA-N	0	0	554.632	3.409	50	0		KGAARN
COC(=O)Cn1c(=O)c(C(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(C)cc2)c(N)n(Cc2ccccc2)c1=O	ZINC000103072648	555252334	/nfs/dbraw/zinc/25/23/34/555252334.db2.gz	STKMRFFUVDAHAH-UHFFFAOYSA-N	0	0	596.669	3.345	50	0		KGAARN
C[C@H](Sc1nc2ccccc2c(=O)n1CCc1ccc(S(N)(=O)=O)cc1)C(=O)N1CCc2ccccc21	ZINC000103072717	555252635	/nfs/dbraw/zinc/25/26/35/555252635.db2.gz	XNDSSKOPZLQMMK-SFHVURJKSA-N	0	0	534.663	3.357	50	0		KGAARN
C[C@@H](Sc1nc2ccccc2c(=O)n1CCc1ccc(S(N)(=O)=O)cc1)C(=O)N1CCc2ccccc21	ZINC000103072719	555252670	/nfs/dbraw/zinc/25/26/70/555252670.db2.gz	XNDSSKOPZLQMMK-GOSISDBHSA-N	0	0	534.663	3.357	50	0		KGAARN
COC(=O)c1c2c(sc1NC(=O)CSc1nc3ccccc3c(=O)n1CCCN1CCOCC1)CCC2	ZINC000103072853	555252653	/nfs/dbraw/zinc/25/26/53/555252653.db2.gz	YCVSSDALLOPUBX-UHFFFAOYSA-N	0	0	542.683	3.186	50	0		KGAARN
COc1ccc(NC(=O)COC(=O)/C=C\c2ccc(Br)o2)cc1S(=O)(=O)N1CCCCC1	ZINC000103072976	1059540880	/nfs/dbraw/zinc/54/08/80/1059540880.db2.gz	QSIAOMBHOZFUQU-YFHOEESVSA-N	0	0	527.393	3.420	50	0		KGAARN
O=C(/C=C\c1ccc(Br)o1)OCC(=O)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1	ZINC000103072997	1059666616	/nfs/dbraw/zinc/66/66/16/1059666616.db2.gz	WVLTXHYEKOWCSF-YFHOEESVSA-N	0	0	533.400	3.285	50	0		KGAARN
O=C(COC(=O)C1(c2ccc(F)cc2)CCCC1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1	ZINC000103073474	555253158	/nfs/dbraw/zinc/25/31/58/555253158.db2.gz	PAEICLLMUXGDDG-UHFFFAOYSA-N	0	0	559.660	3.441	50	0		KGAARN
O=C(COC(=O)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1	ZINC000103073639	555253164	/nfs/dbraw/zinc/25/31/64/555253164.db2.gz	LDFIVIKVWVWHFW-UHFFFAOYSA-N	0	0	568.629	3.034	50	0		KGAARN
O=C(COC(=O)CCCOc1ccc(Cl)cc1Cl)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1	ZINC000103073835	555253540	/nfs/dbraw/zinc/25/35/40/555253540.db2.gz	YCDOPPNXDWLLGX-UHFFFAOYSA-N	0	0	531.414	3.355	50	0		KGAARN
COc1ccc(CCNC(=O)COC(=O)c2cccnc2SCC(=O)NCCc2ccc(OC)cc2)cc1	ZINC000103074110	555253761	/nfs/dbraw/zinc/25/37/61/555253761.db2.gz	JRUKDKUIYMNOEV-UHFFFAOYSA-N	0	0	537.638	3.066	50	0		KGAARN
COc1ccc(CCN(C)S(=O)(=O)c2ccc(OC)c(N3CCN(C(=O)Cc4ccccc4)CC3)c2)cc1OC	ZINC000103074232	555253774	/nfs/dbraw/zinc/25/37/74/555253774.db2.gz	JNALWCDPABWEEP-UHFFFAOYSA-N	0	0	567.708	3.467	50	0		KGAARN
COCCNS(=O)(=O)c1ccc(OC)c(N2CCN(C(=O)C3(c4ccc(Cl)cc4)CCCC3)CC2)c1	ZINC000103074237	555253765	/nfs/dbraw/zinc/25/37/65/555253765.db2.gz	ZCHISWXIFWRIQI-UHFFFAOYSA-N	0	0	536.094	3.434	50	0		KGAARN
COc1ccc(S(=O)(=O)N2CCc3cc(OC)c(OC)cc3C2)cc1N1CCN(C(=O)[C@@H](OC(C)=O)c2ccccc2)CC1	ZINC000103074262	555253749	/nfs/dbraw/zinc/25/37/49/555253749.db2.gz	PYRLDHBCAYGBBF-HKBQPEDESA-N	0	0	623.728	3.412	50	0		KGAARN
COc1ccc(S(=O)(=O)N2CCc3cc(OC)c(OC)cc3C2)cc1N1CCN(C(=O)[C@H](OC(C)=O)c2ccccc2)CC1	ZINC000103074266	555253778	/nfs/dbraw/zinc/25/37/78/555253778.db2.gz	PYRLDHBCAYGBBF-WJOKGBTCSA-N	0	0	623.728	3.412	50	0		KGAARN
O=C(COC(=O)c1ccc(I)cc1)COC(=O)c1ccc(I)cc1	ZINC000103074289	555254126	/nfs/dbraw/zinc/25/41/26/555254126.db2.gz	BROQERCRSLSFKN-UHFFFAOYSA-N	0	0	550.086	3.479	50	0		KGAARN
CCCNC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2ccc(OC)cc2OC)C[C@H]1c1ccc(OC)c(OC)c1	ZINC000103074529	555254276	/nfs/dbraw/zinc/25/42/76/555254276.db2.gz	AKQSHNWYBCXTGF-SANMLTNESA-N	0	0	597.713	3.153	50	0		KGAARN
CCCNC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2ccc(OC)cc2OC)C[C@@H]1c1ccc(OC)c(OC)c1	ZINC000103074532	555254301	/nfs/dbraw/zinc/25/43/01/555254301.db2.gz	AKQSHNWYBCXTGF-AREMUKBSSA-N	0	0	597.713	3.153	50	0		KGAARN
O=C(COC(=O)c1ccccc1C(F)(F)F)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1	ZINC000103074591	555254267	/nfs/dbraw/zinc/25/42/67/555254267.db2.gz	VKCSFRYLDIZPMU-UHFFFAOYSA-N	0	0	541.548	3.122	50	0		KGAARN
COc1ccc(NC(=O)COc2ccc(Br)cc2Br)cc1S(=O)(=O)N1CCOCC1	ZINC000103075103	555254711	/nfs/dbraw/zinc/25/47/11/555254711.db2.gz	LZIKXJYQYNJXAX-UHFFFAOYSA-N	0	0	564.252	3.259	50	0		KGAARN
COc1ccc(S(=O)(=O)N2CCC[C@@H](C)C2)cc1N1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1	ZINC000103075569	555255160	/nfs/dbraw/zinc/25/51/60/555255160.db2.gz	IHBXCFCRCCRXFZ-GOSISDBHSA-N	0	0	572.547	3.389	50	0		KGAARN
COc1ccc(S(=O)(=O)N2CCC[C@H](C)C2)cc1N1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1	ZINC000103075572	555255237	/nfs/dbraw/zinc/25/52/37/555255237.db2.gz	IHBXCFCRCCRXFZ-SFHVURJKSA-N	0	0	572.547	3.389	50	0		KGAARN
O=C(COC(=O)c1ccccc1C(=O)c1ccc(Cl)cc1)Nc1cccc(S(=O)(=O)N2CCOCC2)c1	ZINC000103075634	555255135	/nfs/dbraw/zinc/25/51/35/555255135.db2.gz	ZKKBVEFQUZDBGL-UHFFFAOYSA-N	0	0	542.997	3.387	50	0		KGAARN
O=S(=O)(c1ccc2c(c1)nc(SCc1ccc(C(F)(F)F)nc1)n2CCCN1CCOCC1)N1CCOCC1	ZINC000103076035	555255355	/nfs/dbraw/zinc/25/53/55/555255355.db2.gz	NHHPPZVHCTUZKV-UHFFFAOYSA-N	0	0	585.674	3.486	50	0		KGAARN
COc1ccc(CCN(C)S(=O)(=O)c2ccc(OC)c(N3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)c2)cc1OC	ZINC000103076703	555255681	/nfs/dbraw/zinc/25/56/81/555255681.db2.gz	WTOLUWBHTVLMFE-UHFFFAOYSA-N	0	0	607.726	3.226	50	0		KGAARN
O=C(COC(=O)c1ccccc1C(=O)c1ccccc1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1	ZINC000103076790	555255808	/nfs/dbraw/zinc/25/58/08/555255808.db2.gz	AZFJQZXZWUIKJU-UHFFFAOYSA-N	0	0	577.659	3.334	50	0		KGAARN
CCOC(=O)Cn1cc(C(=O)C(=O)N2CCc3ccccc3C2)c2cc(NC(=O)CCCC(=O)OC)ccc21	ZINC000103077204	555256029	/nfs/dbraw/zinc/25/60/29/555256029.db2.gz	GCABGAVYJISQSP-UHFFFAOYSA-N	0	0	533.581	3.254	50	0		KGAARN
Nc1c(Cl)cc(Cl)cc1C(=O)OCC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1	ZINC000103077492	555256107	/nfs/dbraw/zinc/25/61/07/555256107.db2.gz	PWDDLGRXFRHTSH-UHFFFAOYSA-N	0	0	522.794	3.045	50	0		KGAARN
COc1ccc(OC)c(-n2c(SCC(=O)NC(C)(C)C)nnc2-c2cccc(S(=O)(=O)N(C)C)c2)c1	ZINC000103078399	555257012	/nfs/dbraw/zinc/25/70/12/555257012.db2.gz	DECQIXPTZWZSMV-UHFFFAOYSA-N	0	0	533.676	3.209	50	0		KGAARN
NS(=O)(=O)c1cccc(NC(=O)COC(=O)c2ccc(OCC(=O)Nc3cccc(C(F)(F)F)c3)cc2)c1	ZINC000103078525	555257276	/nfs/dbraw/zinc/25/72/76/555257276.db2.gz	MTIBOMZPSNDTKV-UHFFFAOYSA-N	0	0	551.499	3.166	50	0		KGAARN
COc1ccc(OC)c(-n2c(SCC(=O)N3CCN(S(=O)(=O)c4ccc(C)cc4)CC3)nc3ccccc3c2=O)c1	ZINC000103078736	555257448	/nfs/dbraw/zinc/25/74/48/555257448.db2.gz	NLQUUEBYCKAPJQ-UHFFFAOYSA-N	0	0	594.715	3.337	50	0		KGAARN
Cc1cccc(Nc2nnc(SCC(=O)Nc3cc(S(=O)(=O)N4CCOCC4)ccc3N3CCOCC3)s2)c1	ZINC000103078765	555257546	/nfs/dbraw/zinc/25/75/46/555257546.db2.gz	RLBIBQYULSCMGR-UHFFFAOYSA-N	0	0	590.753	3.178	50	0		KGAARN
COc1ccc([C@@H]2CC(c3ccc(OC)cc3OC)=NN2C(=O)CN(CCN2CCOCC2)C(=O)c2ccco2)cc1	ZINC000103078944	555257647	/nfs/dbraw/zinc/25/76/47/555257647.db2.gz	NWRUFAWQYCNRBO-MHZLTWQESA-N	0	0	576.650	3.458	50	0		KGAARN
COc1ccc([C@H]2CC(c3ccc(OC)cc3OC)=NN2C(=O)CN(CCN2CCOCC2)C(=O)c2ccco2)cc1	ZINC000103078947	555257624	/nfs/dbraw/zinc/25/76/24/555257624.db2.gz	NWRUFAWQYCNRBO-HHHXNRCGSA-N	0	0	576.650	3.458	50	0		KGAARN
COc1ccc(C2=NN(C(=O)CN(CCN3CCOCC3)C(=O)c3ccco3)[C@H](c3ccccc3)C2)c(OC)c1	ZINC000103079055	555257984	/nfs/dbraw/zinc/25/79/84/555257984.db2.gz	AIAOYVCZAPACED-SANMLTNESA-N	0	0	546.624	3.449	50	0		KGAARN
COc1ccc(C2=NN(C(=O)CN(CCN3CCOCC3)C(=O)c3ccco3)[C@@H](c3ccccc3)C2)c(OC)c1	ZINC000103079058	555257916	/nfs/dbraw/zinc/25/79/16/555257916.db2.gz	AIAOYVCZAPACED-AREMUKBSSA-N	0	0	546.624	3.449	50	0		KGAARN
COc1ccc(C)cc1NC(=O)COC(=O)c1cccc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)c1	ZINC000103079997	555258590	/nfs/dbraw/zinc/25/85/90/555258590.db2.gz	WXHSIZWPBOAVHD-UHFFFAOYSA-N	0	0	541.601	3.449	50	0		KGAARN
O=C(COC(=O)c1cccc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)c1)c1ccc2c(c1)OCCO2	ZINC000103080008	555258618	/nfs/dbraw/zinc/25/86/18/555258618.db2.gz	PXZRDQLVBHUHRC-UHFFFAOYSA-N	0	0	540.569	3.148	50	0		KGAARN
COc1ccc(OC)c([C@@H]2CC(c3cccs3)=NN2C(=O)CN(CCN2CCOCC2)C(=O)NC(C)C)c1	ZINC000103080245	555259053	/nfs/dbraw/zinc/25/90/53/555259053.db2.gz	KPEVUNQFHLKYAT-QHCPKHFHSA-N	0	0	543.690	3.195	50	0		KGAARN
COc1ccc(OC)c([C@H]2CC(c3cccs3)=NN2C(=O)CN(CCN2CCOCC2)C(=O)NC(C)C)c1	ZINC000103080246	555259021	/nfs/dbraw/zinc/25/90/21/555259021.db2.gz	KPEVUNQFHLKYAT-HSZRJFAPSA-N	0	0	543.690	3.195	50	0		KGAARN
COC(=O)c1ccc(C(=O)OC)c(NC(=O)CSc2nnc(-c3ccc(OC)cc3)n2C[C@@H]2CCCO2)c1	ZINC000103080269	555259027	/nfs/dbraw/zinc/25/90/27/555259027.db2.gz	QDHZLRTVSAUSDF-IBGZPJMESA-N	0	0	540.598	3.437	50	0		KGAARN
COC(=O)c1ccc(C(=O)OC)c(NC(=O)CSc2nnc(-c3ccc(OC)cc3)n2C[C@H]2CCCO2)c1	ZINC000103080272	555259015	/nfs/dbraw/zinc/25/90/15/555259015.db2.gz	QDHZLRTVSAUSDF-LJQANCHMSA-N	0	0	540.598	3.437	50	0		KGAARN
COc1ccc(-c2nnc(SCC(=O)NCCN3C(=O)S/C(=C/c4cccnc4)C3=O)n2C[C@@H]2CCCO2)cc1	ZINC000103080329	555259072	/nfs/dbraw/zinc/25/90/72/555259072.db2.gz	NOMQHRQYKDKGAA-PIUNUONSSA-N	0	0	580.692	3.473	50	0		KGAARN
COc1ccc(-c2nnc(SCC(=O)NCCN3C(=O)S/C(=C/c4cccnc4)C3=O)n2C[C@H]2CCCO2)cc1	ZINC000103080333	555259037	/nfs/dbraw/zinc/25/90/37/555259037.db2.gz	NOMQHRQYKDKGAA-XOWGOQOESA-N	0	0	580.692	3.473	50	0		KGAARN
CCOc1ccccc1-n1nnnc1SCC(=O)NCCN1C(=O)S/C(=C/c2ccccc2F)C1=O	ZINC000103081054	1059666376	/nfs/dbraw/zinc/66/63/76/1059666376.db2.gz	PUYVKGWOHZRFLY-CPNJWEJPSA-N	0	0	528.591	3.145	50	0		KGAARN
Cc1c(NC(=O)COC(=O)/C=C\c2ccc(S(=O)(=O)N3CCc4ccccc43)cc2)c(=O)n(-c2ccccc2)n1C	ZINC000103081291	1059666487	/nfs/dbraw/zinc/66/64/87/1059666487.db2.gz	HPDMRQCJPOPNMC-VKAVYKQESA-N	0	0	572.643	3.431	50	0		KGAARN
O=C(/C=C\c1ccc(S(=O)(=O)N2CCc3ccccc32)cc1)OCC(=O)Nc1ccc(N2CCOCC2)cc1	ZINC000103081305	1059666571	/nfs/dbraw/zinc/66/65/71/1059666571.db2.gz	WYGBQXIBHLHQRO-AUWJEWJLSA-N	0	0	547.633	3.470	50	0		KGAARN
CN(C)S(=O)(=O)c1cccc(COC(=O)/C=C\c2ccc(S(=O)(=O)N3CCc4ccccc43)cc2)c1	ZINC000103081331	1059666522	/nfs/dbraw/zinc/66/65/22/1059666522.db2.gz	IZNCXPIYCKTHBP-QINSGFPZSA-N	0	0	526.636	3.445	50	0		KGAARN
COc1ccc(C2=NN(C(=O)CN(CCN3CCOCC3)C(=O)c3ccco3)[C@H](c3ccc(OC)c(OC)c3)C2)c(OC)c1	ZINC000103081464	555260157	/nfs/dbraw/zinc/26/01/57/555260157.db2.gz	WYQSWRGPFHCVOD-SANMLTNESA-N	0	0	606.676	3.466	50	0		KGAARN
COc1ccc(C2=NN(C(=O)CN(CCN3CCOCC3)C(=O)c3ccco3)[C@@H](c3ccc(OC)c(OC)c3)C2)c(OC)c1	ZINC000103081469	555260143	/nfs/dbraw/zinc/26/01/43/555260143.db2.gz	WYQSWRGPFHCVOD-AREMUKBSSA-N	0	0	606.676	3.466	50	0		KGAARN
COc1ccc(C2=NN(C(=O)CN(CCN3CCOCC3)C(=O)NC(C)C)[C@H](c3ccc(OC)c(OC)c3)C2)c(OC)c1	ZINC000103081533	555260123	/nfs/dbraw/zinc/26/01/23/555260123.db2.gz	RAGXKMGLLIDDRG-SANMLTNESA-N	0	0	597.713	3.151	50	0		KGAARN
COc1ccc(C2=NN(C(=O)CN(CCN3CCOCC3)C(=O)NC(C)C)[C@@H](c3ccc(OC)c(OC)c3)C2)c(OC)c1	ZINC000103081538	555260140	/nfs/dbraw/zinc/26/01/40/555260140.db2.gz	RAGXKMGLLIDDRG-AREMUKBSSA-N	0	0	597.713	3.151	50	0		KGAARN
COc1ccc(CCN(C)S(=O)(=O)c2ccc(OC)c(N3CCN(S(=O)(=O)c4ccccc4C)CC3)c2)cc1OC	ZINC000103081670	555260471	/nfs/dbraw/zinc/26/04/71/555260471.db2.gz	LSSFJHMYWNXLGW-UHFFFAOYSA-N	0	0	603.763	3.395	50	0		KGAARN
COc1ccc(S(=O)(=O)NCCc2ccc(F)cc2)cc1N1CCN(S(=O)(=O)c2cccc(C)c2)CC1	ZINC000103081693	555260571	/nfs/dbraw/zinc/26/05/71/555260571.db2.gz	RPHHNHOJCCNTMI-UHFFFAOYSA-N	0	0	547.674	3.175	50	0		KGAARN
COc1ccc(S(=O)(=O)NCCc2ccc(F)cc2)cc1N1CCN(S(=O)(=O)c2cc(C)ccc2C)CC1	ZINC000103081708	555260599	/nfs/dbraw/zinc/26/05/99/555260599.db2.gz	BQOWJEVVGKNVBI-UHFFFAOYSA-N	0	0	561.701	3.483	50	0		KGAARN
COc1ccc(CCN(C)S(=O)(=O)c2ccc(OC)c(N3CCN(S(=O)(=O)c4cccc(C)c4)CC3)c2)cc1OC	ZINC000103081749	555260535	/nfs/dbraw/zinc/26/05/35/555260535.db2.gz	FZBYEZNTOJJPPP-UHFFFAOYSA-N	0	0	603.763	3.395	50	0		KGAARN
COc1ccc(S(=O)(=O)NCCc2ccc(F)cc2)cc1N1CCN(S(=O)(=O)c2cccc(F)c2)CC1	ZINC000103081773	555260550	/nfs/dbraw/zinc/26/05/50/555260550.db2.gz	KYHRJGZKAJFZLQ-UHFFFAOYSA-N	0	0	551.637	3.005	50	0		KGAARN
Cc1cc(-c2c(C)nc3scc(CC(=O)N4CCC5(CC4)OCCO5)n3c2=O)nn1-c1cc(F)ccc1F	ZINC000103081801	555260612	/nfs/dbraw/zinc/26/06/12/555260612.db2.gz	GPDSXQCEXNDFAE-UHFFFAOYSA-N	0	0	541.580	3.412	50	0		KGAARN
COc1ccc(CCN(C)S(=O)(=O)c2ccc(OC)c(N3CCN(S(=O)(=O)c4ccccc4)CC3)c2)cc1OC	ZINC000103081807	555260904	/nfs/dbraw/zinc/26/09/04/555260904.db2.gz	ACFKJOGKEUALFF-UHFFFAOYSA-N	0	0	589.736	3.087	50	0		KGAARN
COc1ccc(CCN(C)S(=O)(=O)c2ccc(OC)c(N3CCN(C(=O)COc4ccccc4)CC3)c2)cc1OC	ZINC000103081831	555260919	/nfs/dbraw/zinc/26/09/19/555260919.db2.gz	QOTURUCFDKBAQS-UHFFFAOYSA-N	0	0	583.707	3.303	50	0		KGAARN
COc1ccc(S(=O)(=O)N2CCN(c3cc(S(=O)(=O)N(C)CCc4ccccc4)ccc3OC)CC2)cc1OC	ZINC000103081849	555260884	/nfs/dbraw/zinc/26/08/84/555260884.db2.gz	HALPQDSVWVQIKD-UHFFFAOYSA-N	0	0	589.736	3.087	50	0		KGAARN
COc1ccc(S(=O)(=O)N2CCc3cc(OC)c(OC)cc3C2)cc1N1CCN(C(=O)c2ccccc2)CC1	ZINC000103081856	555260908	/nfs/dbraw/zinc/26/09/08/555260908.db2.gz	SALFPDRBIJIDHA-UHFFFAOYSA-N	0	0	551.665	3.422	50	0		KGAARN
COc1ccc(-c2nnc(SCC(=O)Nc3cccc(S(=O)(=O)N4CCOCC4)c3)n2CC(C)C)cc1	ZINC000103082054	555261292	/nfs/dbraw/zinc/26/12/92/555261292.db2.gz	LYCLSTIARYTJHF-UHFFFAOYSA-N	0	0	545.687	3.361	50	0		KGAARN
O=C(CSc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)o1)N1CCC(Cc2ccccc2)CC1	ZINC000103082180	555261341	/nfs/dbraw/zinc/26/13/41/555261341.db2.gz	POACQWIUHFJHJH-UHFFFAOYSA-N	0	0	542.683	3.331	50	0		KGAARN
CC(C)Cn1c(=O)c2ccccc2nc1SCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl	ZINC000103082803	555261726	/nfs/dbraw/zinc/26/17/26/555261726.db2.gz	ZWNWAIPBHSJDRA-UHFFFAOYSA-N	0	0	551.090	3.458	50	0		KGAARN
Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CSc1nc2ccccc2c(=O)n1CC(C)C	ZINC000103082807	555261703	/nfs/dbraw/zinc/26/17/03/555261703.db2.gz	UACDCPIKPMKONC-UHFFFAOYSA-N	0	0	530.672	3.113	50	0		KGAARN
COc1ccc(C(=O)N(CCN2CCOCC2)CC(=O)N2N=C(c3cccs3)C[C@H]2c2cccn2C)cc1	ZINC000103082824	555261719	/nfs/dbraw/zinc/26/17/19/555261719.db2.gz	DZEDMPVWWMGSMA-VWLOTQADSA-N	0	0	535.670	3.248	50	0		KGAARN
COc1ccc(C(=O)N(CCN2CCOCC2)CC(=O)N2N=C(c3cccs3)C[C@@H]2c2cccn2C)cc1	ZINC000103082826	555261696	/nfs/dbraw/zinc/26/16/96/555261696.db2.gz	DZEDMPVWWMGSMA-RUZDIDTESA-N	0	0	535.670	3.248	50	0		KGAARN
COc1ccccc1-n1c(=O)c2c3c(sc2nc1SCC(=O)N(C)[C@@H]1CCS(=O)(=O)C1)CCCC3	ZINC000103082845	555261713	/nfs/dbraw/zinc/26/17/13/555261713.db2.gz	DADSVYBQMFZUON-OAHLLOKOSA-N	0	0	533.697	3.072	50	0		KGAARN
COc1ccccc1-n1c(=O)c2c3c(sc2nc1SCC(=O)N(C)[C@H]1CCS(=O)(=O)C1)CCCC3	ZINC000103082847	555261722	/nfs/dbraw/zinc/26/17/22/555261722.db2.gz	DADSVYBQMFZUON-HNNXBMFYSA-N	0	0	533.697	3.072	50	0		KGAARN
COCCn1c(=O)c2ccccc2nc1SCC(=O)Nc1ccc(C)c(S(=O)(=O)N2CCCCC2)c1	ZINC000103082891	555261701	/nfs/dbraw/zinc/26/17/01/555261701.db2.gz	VCVKNGNTPHNFAQ-UHFFFAOYSA-N	0	0	530.672	3.257	50	0		KGAARN
CCCCc1ccc(-n2nnnc2SCC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1	ZINC000103082988	555262033	/nfs/dbraw/zinc/26/20/33/555262033.db2.gz	AVQZWIMGNYSCPN-UHFFFAOYSA-N	0	0	535.095	3.284	50	0		KGAARN
Cn1c(N)c(C(=O)COC(=O)c2c3ccccc3nc3c2CCCC3=Cc2cccs2)c(=O)n(C)c1=O	ZINC000103083327	555262158	/nfs/dbraw/zinc/26/21/58/555262158.db2.gz	HHZDDUGSUXWEST-SQFISAMPSA-N	0	0	516.579	3.193	50	0		KGAARN
COc1ccc(C=C2CCCc3c2nc2ccccc2c3C(=O)OCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)cc1	ZINC000103083707	555262631	/nfs/dbraw/zinc/26/26/31/555262631.db2.gz	LABXESQNCMBGTK-SDXDJHTJSA-N	0	0	540.576	3.140	50	0		KGAARN
CCOC(=O)c1ccccc1NC(=O)COC(=O)[C@@H](CCSC)NS(=O)(=O)c1ccc(Cl)cc1	ZINC000103084361	555263259	/nfs/dbraw/zinc/26/32/59/555263259.db2.gz	QPTMVASMOYZMRH-LJQANCHMSA-N	0	0	529.036	3.099	50	0		KGAARN
CCOC(=O)c1ccccc1NC(=O)COC(=O)[C@H](CCSC)NS(=O)(=O)c1ccc(Cl)cc1	ZINC000103084366	555263225	/nfs/dbraw/zinc/26/32/25/555263225.db2.gz	QPTMVASMOYZMRH-IBGZPJMESA-N	0	0	529.036	3.099	50	0		KGAARN
COc1ccc(C)cc1-n1nnnc1SCC(=O)NCCN1C(=O)S/C(=C/c2ccccc2F)C1=O	ZINC000103084503	1059667322	/nfs/dbraw/zinc/66/73/22/1059667322.db2.gz	YMEMEIZBFDVHAH-XDHOZWIPSA-N	0	0	528.591	3.063	50	0		KGAARN
CCOC(=O)C1CCN(C(=O)CN2CC3=C(C2=O)[C@H](c2cccc(Oc4ccccc4)c2)NC(=O)N3C)CC1	ZINC000103084734	555263610	/nfs/dbraw/zinc/26/36/10/555263610.db2.gz	XFGLDASLDFXVAV-SANMLTNESA-N	0	0	532.597	3.073	50	0		KGAARN
CCOC(=O)C1CCN(C(=O)CN2CC3=C(C2=O)[C@@H](c2cccc(Oc4ccccc4)c2)NC(=O)N3C)CC1	ZINC000103084736	555263609	/nfs/dbraw/zinc/26/36/09/555263609.db2.gz	XFGLDASLDFXVAV-AREMUKBSSA-N	0	0	532.597	3.073	50	0		KGAARN
CCCCCCn1c(SCC(=O)c2c(N)n(Cc3ccccc3)c(=O)n(CC(=O)OC)c2=O)nc2ccccc2c1=O	ZINC000103084768	555263573	/nfs/dbraw/zinc/26/35/73/555263573.db2.gz	DEJPBJVZGDYYEM-UHFFFAOYSA-N	0	0	591.690	3.079	50	0		KGAARN
Cc1ccc(S(=O)(=O)N2CCN(C(=O)CSc3nc4ccccc4c(=O)n3Cc3ccccc3)CC2)cc1	ZINC000103084809	555263608	/nfs/dbraw/zinc/26/36/08/555263608.db2.gz	KMCUWNIQNKVZGG-UHFFFAOYSA-N	0	0	548.690	3.378	50	0		KGAARN
CCCNC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2cccs2)C[C@H]1c1cc(OC)ccc1OC	ZINC000103084912	555263583	/nfs/dbraw/zinc/26/35/83/555263583.db2.gz	KDTWZFINWLRZPW-QHCPKHFHSA-N	0	0	543.690	3.197	50	0		KGAARN
CCCNC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2cccs2)C[C@@H]1c1cc(OC)ccc1OC	ZINC000103084914	555263557	/nfs/dbraw/zinc/26/35/57/555263557.db2.gz	KDTWZFINWLRZPW-HSZRJFAPSA-N	0	0	543.690	3.197	50	0		KGAARN
COc1ccc(CCN(C)S(=O)(=O)c2ccc(OC)c(N3CCN(S(=O)(=O)c4cccc(F)c4)CC3)c2)cc1OC	ZINC000103085134	555263788	/nfs/dbraw/zinc/26/37/88/555263788.db2.gz	OCPKKHRAGPOYFV-UHFFFAOYSA-N	0	0	607.726	3.226	50	0		KGAARN
COc1ccc(S(=O)(=O)NCCc2ccc(F)cc2)cc1N1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1	ZINC000103085167	555263793	/nfs/dbraw/zinc/26/37/93/555263793.db2.gz	YAKBMDJBZJVDGW-UHFFFAOYSA-N	0	0	569.627	3.144	50	0		KGAARN
COc1ccc(S(=O)(=O)N2CCc3cc(OC)c(OC)cc3C2)cc1N1CCN(S(=O)(=O)c2cccc(F)c2)CC1	ZINC000103085236	555263760	/nfs/dbraw/zinc/26/37/60/555263760.db2.gz	FIOPDAWOTRPTNH-UHFFFAOYSA-N	0	0	605.710	3.109	50	0		KGAARN
COc1ccc(S(=O)(=O)N(C)CCc2ccccc2)cc1N1CCN(S(=O)(=O)c2cccc(F)c2)CC1	ZINC000103085264	555264038	/nfs/dbraw/zinc/26/40/38/555264038.db2.gz	CWWYFASIBHRCOJ-UHFFFAOYSA-N	0	0	547.674	3.208	50	0		KGAARN
COc1cc(NC(=O)c2cccs2)c(C(=O)OCC(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)cc1OC	ZINC000103085490	555264054	/nfs/dbraw/zinc/26/40/54/555264054.db2.gz	ULQJINVHQYSBSV-UHFFFAOYSA-N	0	0	547.611	3.063	50	0		KGAARN
CNS(=O)(=O)c1cccc(C(=O)OCC(=O)N2N=C(c3cccs3)C[C@H]2c2ccc(OC)c(OC)c2)c1	ZINC000103085568	555264272	/nfs/dbraw/zinc/26/42/72/555264272.db2.gz	ISQKEBHOKORLEM-FQEVSTJZSA-N	0	0	543.623	3.208	50	0		KGAARN
CNS(=O)(=O)c1cccc(C(=O)OCC(=O)N2N=C(c3cccs3)C[C@@H]2c2ccc(OC)c(OC)c2)c1	ZINC000103085572	555264274	/nfs/dbraw/zinc/26/42/74/555264274.db2.gz	ISQKEBHOKORLEM-HXUWFJFHSA-N	0	0	543.623	3.208	50	0		KGAARN
O=C(COC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCc3ccccc32)c1)N1CC(=O)Nc2ccccc21	ZINC000103085802	555264457	/nfs/dbraw/zinc/26/44/57/555264457.db2.gz	WVGUKJSNLKCYFD-UHFFFAOYSA-N	0	0	525.970	3.234	50	0		KGAARN
COC(=O)Cn1c(=O)c(C(=O)CSc2nnc(-c3cccs3)n2-c2ccccc2)c(N)n(Cc2ccccc2)c1=O	ZINC000103085893	555264446	/nfs/dbraw/zinc/26/44/46/555264446.db2.gz	UGEKCLKGGZUUCJ-UHFFFAOYSA-N	0	0	588.671	3.098	50	0		KGAARN
Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)OCC(=O)Nc3ccc(S(=O)(=O)N4CCCC4)cc3)c2)cc1	ZINC000103086307	555264886	/nfs/dbraw/zinc/26/48/86/555264886.db2.gz	XNLUBXATZSLTCT-UHFFFAOYSA-N	0	0	571.677	3.400	50	0		KGAARN
Cc1ccccc1-n1c(SCC(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)nnc1-c1cccnc1	ZINC000103086389	555265153	/nfs/dbraw/zinc/26/51/53/555265153.db2.gz	SEXPGIUPUNYPDD-UHFFFAOYSA-N	0	0	550.666	3.389	50	0		KGAARN
O=C(COC(=O)CNC(=O)c1ccc(Cl)cc1Cl)Nc1cc(S(=O)(=O)N2CCCC2)ccc1Cl	ZINC000103086756	555265363	/nfs/dbraw/zinc/26/53/63/555265363.db2.gz	NVESWDHVPAREQR-UHFFFAOYSA-N	0	0	548.832	3.343	50	0		KGAARN
CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)OCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)c1	ZINC000103086850	555265424	/nfs/dbraw/zinc/26/54/24/555265424.db2.gz	IRAWBIWCIPUVMM-UHFFFAOYSA-N	0	0	532.937	3.269	50	0		KGAARN
COC(=O)Cn1c(=O)c(C(=O)CSc2nnc(-c3ccccc3)c(-c3ccccc3)n2)c(N)n(Cc2ccccc2)c1=O	ZINC000103086995	555265616	/nfs/dbraw/zinc/26/56/16/555265616.db2.gz	AFNGCDKDURPYJJ-UHFFFAOYSA-N	0	0	594.653	3.308	50	0		KGAARN
CCOC(=O)[C@@H]1CCCN(C(=O)c2nn(-c3cccc(C)c3)c(=O)n(Cc3cccc(C(F)(F)F)c3)c2=O)C1	ZINC000103087084	555265613	/nfs/dbraw/zinc/26/56/13/555265613.db2.gz	VQJWILMPYJQAJU-LJQANCHMSA-N	0	0	544.530	3.185	50	0		KGAARN
CCOC(=O)[C@H]1CCCN(C(=O)c2nn(-c3cccc(C)c3)c(=O)n(Cc3cccc(C(F)(F)F)c3)c2=O)C1	ZINC000103087088	555265591	/nfs/dbraw/zinc/26/55/91/555265591.db2.gz	VQJWILMPYJQAJU-IBGZPJMESA-N	0	0	544.530	3.185	50	0		KGAARN
COC(=O)Cn1c(=O)c(C(=O)CSc2nnc(-c3ccccc3)n2-c2ccccc2)c(N)n(Cc2ccccc2)c1=O	ZINC000103087208	555265795	/nfs/dbraw/zinc/26/57/95/555265795.db2.gz	AYOQVGSKAVQDFN-UHFFFAOYSA-N	0	0	582.642	3.036	50	0		KGAARN
COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)COC(=O)CCSc1ccc(Cl)cc1	ZINC000103087288	555265914	/nfs/dbraw/zinc/26/59/14/555265914.db2.gz	RSSKEEDFXAMDNS-UHFFFAOYSA-N	0	0	529.036	3.034	50	0		KGAARN
COc1cc(C=CC(=O)OCC(=O)c2ccc3c(c2)NC(=O)CO3)cc(S(=O)(=O)N2CCc3ccccc32)c1OC	ZINC000103087835	1059667452	/nfs/dbraw/zinc/66/74/52/1059667452.db2.gz	SQPLRABAHWGFBN-YFHOEESVSA-N	0	0	578.599	3.225	50	0		KGAARN
COc1cc(/C=C\C(=O)OCC(=O)NCCc2ccccc2)cc(S(=O)(=O)N2CCc3ccccc32)c1OC	ZINC000103087847	1059667403	/nfs/dbraw/zinc/66/74/03/1059667403.db2.gz	ODVMZCXKSOYZDB-SEYXRHQNSA-N	0	0	550.633	3.371	50	0		KGAARN
COc1cc(/C=C\C(=O)OCC(=O)NCc2ccccc2)cc(S(=O)(=O)N2CCc3ccccc32)c1OC	ZINC000103087874	1059667340	/nfs/dbraw/zinc/66/73/40/1059667340.db2.gz	BVBNYXLCCHNJQH-SEYXRHQNSA-N	0	0	536.606	3.328	50	0		KGAARN
O=C(COC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl)Nc1ccc(S(=O)(=O)N2CCCC2)cc1	ZINC000103087913	555266732	/nfs/dbraw/zinc/26/67/32/555266732.db2.gz	NUZOUYLPRCUAIV-UHFFFAOYSA-N	0	0	570.089	3.095	50	0		KGAARN
CCOC(=O)c1c(C)c(C(=O)NC)sc1NC(=O)COC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl	ZINC000103087925	555266746	/nfs/dbraw/zinc/26/67/46/555266746.db2.gz	NHSBJTUYURZNLX-UHFFFAOYSA-N	0	0	586.088	3.216	50	0		KGAARN
COC(=O)c1sc(NC(=O)COC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)c(C(=O)OC)c1C	ZINC000103087934	555266763	/nfs/dbraw/zinc/26/67/63/555266763.db2.gz	HNKHCMZGKSZZQO-UHFFFAOYSA-N	0	0	573.045	3.253	50	0		KGAARN
CCCCn1c2ccc(S(N)(=O)=O)cc2nc1SCC(=O)Nc1ccc(S(=O)(=O)N(CC)CC)cc1	ZINC000103088223	555267162	/nfs/dbraw/zinc/26/71/62/555267162.db2.gz	TZXOPBAHCBYBSQ-UHFFFAOYSA-N	0	0	553.732	3.245	50	0		KGAARN
CCCCn1c2ccc(S(N)(=O)=O)cc2nc1SCC(=O)Nc1c(Cl)cc(S(N)(=O)=O)cc1Cl	ZINC000103088263	555267197	/nfs/dbraw/zinc/26/71/97/555267197.db2.gz	FBESRDIPXHMYTR-UHFFFAOYSA-N	0	0	566.514	3.169	50	0		KGAARN
CCCCn1c2ccc(S(N)(=O)=O)cc2nc1SCC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1	ZINC000103088331	555267390	/nfs/dbraw/zinc/26/73/90/555267390.db2.gz	BNCNRGFNFKSICF-UHFFFAOYSA-N	0	0	560.123	3.118	50	0		KGAARN
COc1cccc(-n2c(SCC(=O)Nc3cccc(S(=O)(=O)N(C)C)c3)nc3ccccc3c2=O)c1	ZINC000103088848	555267748	/nfs/dbraw/zinc/26/77/48/555267748.db2.gz	NNYRYEATABBFMD-UHFFFAOYSA-N	0	0	524.624	3.375	50	0		KGAARN
COc1cccc(-n2c(SCC(=O)N3CCN(S(=O)(=O)c4ccc(C)cc4)CC3)nc3ccccc3c2=O)c1	ZINC000103088863	555268019	/nfs/dbraw/zinc/26/80/19/555268019.db2.gz	SLIDUYHFKCCBCS-UHFFFAOYSA-N	0	0	564.689	3.328	50	0		KGAARN
CCOC(=O)c1c(C)c(Cc2ccc3c(c2)OCO3)sc1NC(=O)COC(=O)CNC(=O)c1ccc(OC)c(OC)c1	ZINC000103088981	555268013	/nfs/dbraw/zinc/26/80/13/555268013.db2.gz	XBCLIOKMZSNMRW-UHFFFAOYSA-N	0	0	598.630	3.482	50	0		KGAARN
COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)OCC(=O)N(C)CC(=O)Nc2ccccc2Cl)cc1	ZINC000103089248	555268107	/nfs/dbraw/zinc/26/81/07/555268107.db2.gz	QEVXYFWQUPVVNW-UHFFFAOYSA-N	0	0	560.028	3.428	50	0		KGAARN
O=C(OCCN1C(=O)c2ccccc2C1=O)c1cc(S(=O)(=O)N2CCN(c3ccccc3)CC2)ccc1Cl	ZINC000103089674	555268529	/nfs/dbraw/zinc/26/85/29/555268529.db2.gz	JBGKKQBPEJYDBZ-UHFFFAOYSA-N	0	0	554.024	3.304	50	0		KGAARN
O=C(COC(=O)c1cc(S(=O)(=O)N2CCN(c3ccccc3)CC2)ccc1Cl)NCc1cccs1	ZINC000103089696	555268715	/nfs/dbraw/zinc/26/87/15/555268715.db2.gz	CRHZZQVANMEXIS-UHFFFAOYSA-N	0	0	534.059	3.386	50	0		KGAARN
O=C(COC(=O)c1cc(S(=O)(=O)N2CCN(c3ccccc3)CC2)ccc1Cl)NC(=O)NCc1ccccc1	ZINC000103089709	555268700	/nfs/dbraw/zinc/26/87/00/555268700.db2.gz	ZNQPLPZQBKAPIH-UHFFFAOYSA-N	0	0	571.055	3.034	50	0		KGAARN
COc1ccc(CCNC(=O)c2cccnc2N2CCN(C(=O)NCCc3ccccc3F)CC2)cc1OC	ZINC000103090252	555269173	/nfs/dbraw/zinc/26/91/73/555269173.db2.gz	DJEJIGSSIXCTAE-UHFFFAOYSA-N	0	0	535.620	3.285	50	0		KGAARN
O=C(CSc1nc2ccccc2c(=O)n1-c1ccccc1F)Nc1cccc(S(=O)(=O)N2CCOCC2)c1	ZINC000103090419	555269389	/nfs/dbraw/zinc/26/93/89/555269389.db2.gz	DJGCTTBUEWKACP-UHFFFAOYSA-N	0	0	554.625	3.277	50	0		KGAARN
O=C(CSc1nnc(Nc2ccccc2F)s1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1	ZINC000103090513	555269363	/nfs/dbraw/zinc/26/93/63/555269363.db2.gz	LUAFLINNTCGFOQ-UHFFFAOYSA-N	0	0	594.716	3.009	50	0		KGAARN
Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CSc1nnc(Nc2ccccc2F)s1	ZINC000103090520	555269414	/nfs/dbraw/zinc/26/94/14/555269414.db2.gz	CKUWXNVDCGLOMR-UHFFFAOYSA-N	0	0	523.637	3.481	50	0		KGAARN
Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@@H](C)OC(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1	ZINC000103090865	555269714	/nfs/dbraw/zinc/26/97/14/555269714.db2.gz	VOQARONKWPIJCR-GOSISDBHSA-N	0	0	603.675	3.001	50	0		KGAARN
Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@H](C)OC(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1	ZINC000103090869	555269730	/nfs/dbraw/zinc/26/97/30/555269730.db2.gz	VOQARONKWPIJCR-SFHVURJKSA-N	0	0	603.675	3.001	50	0		KGAARN
COc1ccc(C(=O)OCC(=O)N(CCc2ccccc2)Cc2ccccc2)cc1S(=O)(=O)N1CCOCC1	ZINC000103090956	555269958	/nfs/dbraw/zinc/26/99/58/555269958.db2.gz	NHPLPUWZUAMKJB-UHFFFAOYSA-N	0	0	552.649	3.144	50	0		KGAARN
CCOC(=O)c1c(-c2cccs2)csc1NC(=O)COC(=O)c1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1	ZINC000103090995	555269950	/nfs/dbraw/zinc/26/99/50/555269950.db2.gz	XQYRZBLJKVECBA-UHFFFAOYSA-N	0	0	594.689	3.478	50	0		KGAARN
COC(=O)Cn1c(=O)c(C(=O)COC(=O)c2c(C)c(-c3ccccc3)nc3ccccc32)c(N)n(Cc2ccccc2)c1=O	ZINC000103091247	555270206	/nfs/dbraw/zinc/27/02/06/555270206.db2.gz	LFVQWFJHUDVRIJ-UHFFFAOYSA-N	0	0	592.608	3.377	50	0		KGAARN
Cc1ccc(-n2c(=O)c3ccccc3nc2SCC(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)cc1	ZINC000103091632	555270436	/nfs/dbraw/zinc/27/04/36/555270436.db2.gz	SXENCMYXPXRTAU-UHFFFAOYSA-N	0	0	550.662	3.446	50	0		KGAARN
COc1ccc(C(=O)N(CCN2CCOCC2)CC(=O)N2N=C(c3ccc(OC)cc3)C[C@H]2c2ccco2)cc1	ZINC000103091884	555270963	/nfs/dbraw/zinc/27/09/63/555270963.db2.gz	XVWUKQPHJLFTJW-MHZLTWQESA-N	0	0	546.624	3.449	50	0		KGAARN
COc1ccc(C(=O)N(CCN2CCOCC2)CC(=O)N2N=C(c3ccc(OC)cc3)C[C@@H]2c2ccco2)cc1	ZINC000103091887	555270929	/nfs/dbraw/zinc/27/09/29/555270929.db2.gz	XVWUKQPHJLFTJW-HHHXNRCGSA-N	0	0	546.624	3.449	50	0		KGAARN
C[C@H](OC(=O)c1cc(S(=O)(=O)N(C)Cc2ccccc2)ccc1Cl)C(=O)N1CCN(C(=O)c2ccco2)CC1	ZINC000103092214	555271168	/nfs/dbraw/zinc/27/11/68/555271168.db2.gz	DJEWRUDQXQLSEV-IBGZPJMESA-N	0	0	574.055	3.284	50	0		KGAARN
C[C@@H](OC(=O)c1cc(S(=O)(=O)N(C)Cc2ccccc2)ccc1Cl)C(=O)N1CCN(C(=O)c2ccco2)CC1	ZINC000103092220	555271160	/nfs/dbraw/zinc/27/11/60/555271160.db2.gz	DJEWRUDQXQLSEV-LJQANCHMSA-N	0	0	574.055	3.284	50	0		KGAARN
COc1cc(-c2ncc(C(=O)N3CCOCC3)c(N3CCN(c4ccccc4F)CC3)n2)cc(OC)c1OC	ZINC000103092741	555271650	/nfs/dbraw/zinc/27/16/50/555271650.db2.gz	AJKRRTGAOGQXMR-UHFFFAOYSA-N	0	0	537.592	3.108	50	0		KGAARN
O=S(=O)(c1ccc2c(c1)nc(SCc1cc(F)cc(F)c1)n2CCCN1CCOCC1)N1CCOCC1	ZINC000103092837	555271853	/nfs/dbraw/zinc/27/18/53/555271853.db2.gz	MRLINKDKVVNCFU-UHFFFAOYSA-N	0	0	552.669	3.350	50	0		KGAARN
O=S(=O)(c1ccc2c(c1)nc(SCc1ccc(F)cc1F)n2CCCN1CCOCC1)N1CCOCC1	ZINC000103092865	555271865	/nfs/dbraw/zinc/27/18/65/555271865.db2.gz	BZBQQFIIXRGINH-UHFFFAOYSA-N	0	0	552.669	3.350	50	0		KGAARN
O=S(=O)(c1ccc2c(c1)nc(SCc1cccc(F)c1F)n2CCCN1CCOCC1)N1CCOCC1	ZINC000103092875	555271849	/nfs/dbraw/zinc/27/18/49/555271849.db2.gz	XUTJCVWCXIANTK-UHFFFAOYSA-N	0	0	552.669	3.350	50	0		KGAARN
COC(=O)c1cccc(CSc2nc3cc(S(=O)(=O)N4CCOCC4)ccc3n2C[C@@H]2CCCO2)c1	ZINC000103092917	555271831	/nfs/dbraw/zinc/27/18/31/555271831.db2.gz	ALPQKGKRZNIFRN-FQEVSTJZSA-N	0	0	531.656	3.315	50	0		KGAARN
COC(=O)c1cccc(CSc2nc3cc(S(=O)(=O)N4CCOCC4)ccc3n2C[C@H]2CCCO2)c1	ZINC000103092919	555271859	/nfs/dbraw/zinc/27/18/59/555271859.db2.gz	ALPQKGKRZNIFRN-HXUWFJFHSA-N	0	0	531.656	3.315	50	0		KGAARN
CCN(CC)S(=O)(=O)c1ccc(Cl)c(NC(=O)COC(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)c1	ZINC000103093498	555272561	/nfs/dbraw/zinc/27/25/61/555272561.db2.gz	OMFXEUHVWVQULP-UHFFFAOYSA-N	0	0	578.134	3.015	50	0		KGAARN
CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1C(=O)OCC(=O)Nc1sc2c(c1C(=O)OC)CCCCC2	ZINC000103093699	555272724	/nfs/dbraw/zinc/27/27/24/555272724.db2.gz	PBOAMFKYORXBLK-UHFFFAOYSA-N	0	0	562.641	3.179	50	0		KGAARN
CCOc1ccc(CSc2nc3cc(S(=O)(=O)N4CCOCC4)ccc3n2CCCN2CCOCC2)cc1	ZINC000103093767	555272781	/nfs/dbraw/zinc/27/27/81/555272781.db2.gz	YRPANRQQKQJYFY-UHFFFAOYSA-N	0	0	560.742	3.471	50	0		KGAARN
COC(=O)c1ccc(CSc2nc3cc(S(=O)(=O)N4CCOCC4)ccc3n2C[C@@H]2CCCO2)c(OC)c1	ZINC000103093841	555272712	/nfs/dbraw/zinc/27/27/12/555272712.db2.gz	GMRHMHHBCZABAD-FQEVSTJZSA-N	0	0	561.682	3.324	50	0		KGAARN
COC(=O)c1ccc(CSc2nc3cc(S(=O)(=O)N4CCOCC4)ccc3n2C[C@H]2CCCO2)c(OC)c1	ZINC000103093846	555272796	/nfs/dbraw/zinc/27/27/96/555272796.db2.gz	GMRHMHHBCZABAD-HXUWFJFHSA-N	0	0	561.682	3.324	50	0		KGAARN
O=C(COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc(Cl)cc1)N1CCN(C(=O)c2ccco2)CC1	ZINC000103094217	555273033	/nfs/dbraw/zinc/27/30/33/555273033.db2.gz	IZWLFIZVCSXTOZ-DEOSSOPVSA-N	0	0	563.010	3.283	50	0		KGAARN
O=C(COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc(Cl)cc1)N1CCN(C(=O)c2ccco2)CC1	ZINC000103094221	555273019	/nfs/dbraw/zinc/27/30/19/555273019.db2.gz	IZWLFIZVCSXTOZ-XMMPIXPASA-N	0	0	563.010	3.283	50	0		KGAARN
Cc1ccc(-c2nn(-c3ccccc3)cc2/C=C\C(=O)OCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)o1	ZINC000103094659	1059667443	/nfs/dbraw/zinc/66/74/43/1059667443.db2.gz	BKIQFRVUINHCST-UVTDQMKNSA-N	0	0	534.594	3.003	50	0		KGAARN
COc1ccc(-c2ccc(N3CCN(C(=O)CN(Cc4ccc5c(c4)OCO5)C(=O)C(C)C)CC3)nn2)c(OC)c1	ZINC000103094677	555273251	/nfs/dbraw/zinc/27/32/51/555273251.db2.gz	WYVPAHTVGYRZCF-UHFFFAOYSA-N	0	0	561.639	3.223	50	0		KGAARN
COc1ccc(-c2ccc(N3CCN(C(=O)CN(Cc4ccc5c(c4)OCO5)C(=O)C4CCC4)CC3)nn2)c(OC)c1	ZINC000103094714	555273433	/nfs/dbraw/zinc/27/34/33/555273433.db2.gz	UDTMLLHZKZEMSI-UHFFFAOYSA-N	0	0	573.650	3.367	50	0		KGAARN
CCN(C(=O)COC(=O)/C=C\c1cn(-c2ccccc2)nc1-c1cc2ccccc2oc1=O)[C@@H]1CCS(=O)(=O)C1	ZINC000103095020	1059667373	/nfs/dbraw/zinc/66/73/73/1059667373.db2.gz	RWEDWRADADPCIR-WHIOSMTNSA-N	0	0	561.616	3.238	50	0		KGAARN
CCN(C(=O)COC(=O)/C=C\c1cn(-c2ccccc2)nc1-c1cc2ccccc2oc1=O)[C@H]1CCS(=O)(=O)C1	ZINC000103095027	1059667413	/nfs/dbraw/zinc/66/74/13/1059667413.db2.gz	RWEDWRADADPCIR-FRHQNKJESA-N	0	0	561.616	3.238	50	0		KGAARN
NS(=O)(=O)c1cccc(NC(=O)COC(=O)/C=C\c2cn(-c3ccccc3)nc2-c2cc3ccccc3oc2=O)c1	ZINC000103095060	1059667353	/nfs/dbraw/zinc/66/73/53/1059667353.db2.gz	MBXMKUZBKVVRHE-YPKPFQOOSA-N	0	0	570.583	3.488	50	0		KGAARN
COc1ccc(-c2ccc(N3CCCN(C(=O)CN(C[C@@H]4CCCO4)S(=O)(=O)c4ccc(C)cc4)CC3)nn2)cc1	ZINC000103095493	555273668	/nfs/dbraw/zinc/27/36/68/555273668.db2.gz	PEHCCLGRBPAFCG-SANMLTNESA-N	0	0	579.723	3.369	50	0		KGAARN
COc1ccc(-c2ccc(N3CCCN(C(=O)CN(C[C@H]4CCCO4)S(=O)(=O)c4ccc(C)cc4)CC3)nn2)cc1	ZINC000103095498	555273679	/nfs/dbraw/zinc/27/36/79/555273679.db2.gz	PEHCCLGRBPAFCG-AREMUKBSSA-N	0	0	579.723	3.369	50	0		KGAARN
CC(=O)Nc1ccc(S(=O)(=O)N(C)c2ccc(OCC(=O)OCC(=O)N[C@@H]3CCC[C@@H](C)[C@H]3C)cc2)cc1	ZINC000103096139	555274164	/nfs/dbraw/zinc/27/41/64/555274164.db2.gz	DPWVEYWTMFUYMZ-MPCDZSKCSA-N	0	0	545.658	3.333	50	0		KGAARN
CC(=O)Nc1ccc(S(=O)(=O)N(C)c2ccc(OCC(=O)OCC(=O)N[C@@H]3CCC[C@H](C)[C@H]3C)cc2)cc1	ZINC000103096142	555274130	/nfs/dbraw/zinc/27/41/30/555274130.db2.gz	DPWVEYWTMFUYMZ-OSWQYVSFSA-N	0	0	545.658	3.333	50	0		KGAARN
CC(=O)Nc1ccc(S(=O)(=O)N(C)c2ccc(OCC(=O)OCC(=O)N3CCCc4ccccc43)cc2)cc1	ZINC000103096148	555274081	/nfs/dbraw/zinc/27/40/81/555274081.db2.gz	KSKAZKQDMQOIGW-UHFFFAOYSA-N	0	0	551.621	3.372	50	0		KGAARN
O=C(COC(=O)/C(=C\c1cccs1)c1cccs1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1	ZINC000103096509	555274108	/nfs/dbraw/zinc/27/41/08/555274108.db2.gz	ZCCWCRALNSOPLS-XLNRJJMWSA-N	0	0	603.744	3.390	50	0		KGAARN
CCN(c1ccccc1)S(=O)(=O)c1ccc(OCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2C)cc1	ZINC000103096601	555274324	/nfs/dbraw/zinc/27/43/24/555274324.db2.gz	AGCNTZHCQBESHW-UHFFFAOYSA-N	0	0	573.693	3.249	50	0		KGAARN
O=C(COC(=O)c1cn(-c2ccccc2)nc1-c1cccs1)Nc1cccc(S(=O)(=O)N2CCOCC2)c1	ZINC000103096791	555274294	/nfs/dbraw/zinc/27/42/94/555274294.db2.gz	FENORRCEBXXCAR-UHFFFAOYSA-N	0	0	552.634	3.417	50	0		KGAARN
CCN(CC)S(=O)(=O)c1ccc(/C=C\C(=O)OCC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2C)cc1	ZINC000103096984	1059667384	/nfs/dbraw/zinc/66/73/84/1059667384.db2.gz	XCYNLONVFJGFLP-VBKFSLOCSA-N	0	0	577.725	3.395	50	0		KGAARN
COc1cccc(-c2ccc(N3CCN(C(=O)CN(Cc4ccco4)C(=O)c4ccc5c(c4)OCO5)CC3)nn2)c1	ZINC000103097128	555274599	/nfs/dbraw/zinc/27/45/99/555274599.db2.gz	RQFHVSSNAGWBAH-UHFFFAOYSA-N	0	0	555.591	3.465	50	0		KGAARN
COCCN(CC(=O)N1CCCN(c2ccc(-c3cccc(OC)c3)nn2)CC1)S(=O)(=O)c1ccc(Cl)cc1	ZINC000103097274	555274679	/nfs/dbraw/zinc/27/46/79/555274679.db2.gz	BMZDAJFZGYKZKC-UHFFFAOYSA-N	0	0	574.103	3.182	50	0		KGAARN
C[C@@]1(c2ccccc2)NC(=O)N(NC(=O)COC(=O)c2cccnc2Nc2cccc(C(F)(F)F)c2)C1=O	ZINC000103097495	555274822	/nfs/dbraw/zinc/27/48/22/555274822.db2.gz	HSZKPXSXASOUEU-DEOSSOPVSA-N	0	0	527.459	3.499	50	0		KGAARN
C[C@]1(c2ccccc2)NC(=O)N(NC(=O)COC(=O)c2cccnc2Nc2cccc(C(F)(F)F)c2)C1=O	ZINC000103097497	555274874	/nfs/dbraw/zinc/27/48/74/555274874.db2.gz	HSZKPXSXASOUEU-XMMPIXPASA-N	0	0	527.459	3.499	50	0		KGAARN
Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)COC(=O)c1cc(S(=O)(=O)N(C)c2ccccc2)ccc1Cl	ZINC000103097964	555275106	/nfs/dbraw/zinc/27/51/06/555275106.db2.gz	NRGSKKFNHWHLNF-UHFFFAOYSA-N	0	0	622.121	3.290	50	0		KGAARN
COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)COC(=O)c1cc2c(C)nn(-c3ccc(F)cc3)c2s1	ZINC000103098082	555275260	/nfs/dbraw/zinc/27/52/60/555275260.db2.gz	VYRHKKBNVKKKSK-UHFFFAOYSA-N	0	0	588.639	3.360	50	0		KGAARN
CCOC(=O)c1c(C)c(C(=O)N(C)C)sc1NC(=O)COC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1C	ZINC000103098169	555275512	/nfs/dbraw/zinc/27/55/12/555275512.db2.gz	AHQRMZJROFIAEI-UHFFFAOYSA-N	0	0	579.697	3.214	50	0		KGAARN
COC(=O)c1cc(NC(=O)COC(=O)c2cccc(NS(=O)(=O)c3ccc(F)c(F)c3)c2)cc(C(=O)OC)c1	ZINC000103098470	555275791	/nfs/dbraw/zinc/27/57/91/555275791.db2.gz	KMMVPLLUOZJOPU-UHFFFAOYSA-N	0	0	562.503	3.134	50	0		KGAARN
COc1ccc(-c2ccc(N3CCN(C(=O)CN(Cc4ccc(F)cc4)C(=O)C4CC4)CC3)nn2)c(OC)c1	ZINC000103098490	555275962	/nfs/dbraw/zinc/27/59/62/555275962.db2.gz	YHIBCVNWXDAKRB-UHFFFAOYSA-N	0	0	533.604	3.387	50	0		KGAARN
CCS(=O)(=O)N(CC(=O)N(Cc1ccc(C)cc1)C1CCN(S(=O)(=O)c2ccccc2)CC1)CC(C)C	ZINC000103099222	555276708	/nfs/dbraw/zinc/27/67/08/555276708.db2.gz	QZTMUPZBGCCAQQ-UHFFFAOYSA-N	0	0	549.759	3.485	50	0		KGAARN
CCCS(=O)(=O)N(CCOC)CC(=O)N(Cc1ccc(Cl)cc1)C1CCN(C(=O)NC(C)(C)C)CC1	ZINC000103099293	555276818	/nfs/dbraw/zinc/27/68/18/555276818.db2.gz	PAODVFQVTSPGHT-UHFFFAOYSA-N	0	0	545.146	3.329	50	0		KGAARN
CCS(=O)(=O)N1CCC(N(Cc2ccc(F)cc2)C(=O)CN(C2CC2)S(=O)(=O)c2ccc(C)cc2)CC1	ZINC000103099322	555276855	/nfs/dbraw/zinc/27/68/55/555276855.db2.gz	OXCWYPXNXMEEOW-UHFFFAOYSA-N	0	0	551.706	3.130	50	0		KGAARN
CCOC(=O)CNC(=O)N1CCC(N(Cc2ccc(F)cc2)C(=O)CN(C2CC2)S(=O)(=O)c2ccc(C)cc2)CC1	ZINC000103099324	555276824	/nfs/dbraw/zinc/27/68/24/555276824.db2.gz	DLFJABVMIKAEDZ-UHFFFAOYSA-N	0	0	588.702	3.053	50	0		KGAARN
Cc1ccc(C(=O)OCC(=O)Nc2c(Cl)cccc2C(F)(F)F)cc1S(=O)(=O)N1CCOCC1	ZINC000103099375	555276795	/nfs/dbraw/zinc/27/67/95/555276795.db2.gz	MCWYPDWJPSHDLG-UHFFFAOYSA-N	0	0	520.913	3.484	50	0		KGAARN
Cc1ccc(C(=O)OCC(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc1S(=O)(=O)N1CCOCC1	ZINC000103099383	555276847	/nfs/dbraw/zinc/27/68/47/555276847.db2.gz	AQHFIBJDPCEWHK-UHFFFAOYSA-N	0	0	520.913	3.484	50	0		KGAARN
Cc1ccc(C(=O)OCC(=O)Nc2cc(C(C)(C)C)nn2-c2ccccc2)cc1S(=O)(=O)N1CCOCC1	ZINC000103099401	555276828	/nfs/dbraw/zinc/27/68/28/555276828.db2.gz	XABIBEGPZCGFDN-UHFFFAOYSA-N	0	0	540.642	3.295	50	0		KGAARN
Cc1cc(C(=O)COC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2C)c(C)n1C[C@@H]1COc2ccccc2O1	ZINC000103099461	555277083	/nfs/dbraw/zinc/27/70/83/555277083.db2.gz	ZYCQWCRPPTZSRQ-JOCHJYFZSA-N	0	0	568.648	3.314	50	0		KGAARN
Cc1cc(C(=O)COC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2C)c(C)n1C[C@H]1COc2ccccc2O1	ZINC000103099463	555277100	/nfs/dbraw/zinc/27/71/00/555277100.db2.gz	ZYCQWCRPPTZSRQ-QFIPXVFZSA-N	0	0	568.648	3.314	50	0		KGAARN
COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)COC(=O)c1sc2ccccc2c1Cl	ZINC000103099967	555277744	/nfs/dbraw/zinc/27/77/44/555277744.db2.gz	OTYCHNSXZWKXSX-UHFFFAOYSA-N	0	0	525.004	3.380	50	0		KGAARN
O=C(COC(=O)CC(c1ccccc1)c1ccccc1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1	ZINC000103100548	555278191	/nfs/dbraw/zinc/27/81/91/555278191.db2.gz	WUAOVNUWUAANGF-UHFFFAOYSA-N	0	0	593.702	3.248	50	0		KGAARN
COc1ccc(S(=O)(=O)N(CC(=O)N2CCN(c3ccc(-c4cccc(OC)c4)nn3)CC2)Cc2ccc3c(c2)OCO3)cc1	ZINC000103100916	555278473	/nfs/dbraw/zinc/27/84/73/555278473.db2.gz	JVYHAGLUXMIYAX-UHFFFAOYSA-N	0	0	631.711	3.429	50	0		KGAARN
O=C(COC(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1	ZINC000103101029	555278398	/nfs/dbraw/zinc/27/83/98/555278398.db2.gz	MNTSVBSUPSTBAA-UHFFFAOYSA-N	0	0	563.698	3.221	50	0		KGAARN
CCN(CC)S(=O)(=O)c1ccc(C(=O)OCC(=O)Nc2cccc(S(=O)(=O)N3CCCCCC3)c2)cc1	ZINC000103101102	555278412	/nfs/dbraw/zinc/27/84/12/555278412.db2.gz	GYXRVTKTWXMBTD-UHFFFAOYSA-N	0	0	551.687	3.077	50	0		KGAARN
CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)COC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1	ZINC000103101154	555278667	/nfs/dbraw/zinc/27/86/67/555278667.db2.gz	LYSLFTMZOHULLM-UHFFFAOYSA-N	0	0	558.634	3.408	50	0		KGAARN
CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(NC(=O)COC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)c1	ZINC000103101178	555278679	/nfs/dbraw/zinc/27/86/79/555278679.db2.gz	RWOWSMUIHWBTGD-UHFFFAOYSA-N	0	0	622.121	3.372	50	0		KGAARN
O=C(COC(=O)c1cccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)c1)NCc1ccccc1Cl	ZINC000103101293	555278710	/nfs/dbraw/zinc/27/87/10/555278710.db2.gz	FVWJZWSOGNLSEU-UHFFFAOYSA-N	0	0	542.057	3.320	50	0		KGAARN
Cc1onc(-c2ccccc2Cl)c1C(=O)OCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1C	ZINC000103101324	555278694	/nfs/dbraw/zinc/27/86/94/555278694.db2.gz	JINJVWHUXBAMRK-UHFFFAOYSA-N	0	0	533.990	3.428	50	0		KGAARN
COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)COC(=O)c1c(C)onc1-c1ccccc1Cl	ZINC000103101339	555278718	/nfs/dbraw/zinc/27/87/18/555278718.db2.gz	LHLBHQMUKZTDRA-UHFFFAOYSA-N	0	0	549.989	3.128	50	0		KGAARN
Cc1nn(-c2ccccc2)c2sc(C(=O)OCC(=O)Nc3cccc(S(=O)(=O)N4CCOCC4)c3)cc12	ZINC000103101485	555278911	/nfs/dbraw/zinc/27/89/11/555278911.db2.gz	LPZAZWQMGVHXOC-UHFFFAOYSA-N	0	0	540.623	3.212	50	0		KGAARN
CCOC(=O)c1c(C)c(C(=O)NC)sc1NC(=O)COC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc3C2)c1	ZINC000103101574	555279033	/nfs/dbraw/zinc/27/90/33/555279033.db2.gz	PRAPIVJLQJGQEQ-UHFFFAOYSA-N	0	0	599.687	3.135	50	0		KGAARN
O=C(COC(=O)c1ccc(Br)c(S(=O)(=O)N2CCOCC2)c1)N1CCC(Cc2ccccc2)CC1	ZINC000103101628	555279053	/nfs/dbraw/zinc/27/90/53/555279053.db2.gz	YUWLJQNWVGUTTQ-UHFFFAOYSA-N	0	0	565.486	3.108	50	0		KGAARN
CCc1ccc(NC(=O)[C@@H](C)OC(=O)c2ccc(Br)c(S(=O)(=O)N3CCOCC3)c2)cc1	ZINC000103101643	555279098	/nfs/dbraw/zinc/27/90/98/555279098.db2.gz	OEIWWXBPEWFNQK-OAHLLOKOSA-N	0	0	525.421	3.216	50	0		KGAARN
CCc1ccc(NC(=O)[C@H](C)OC(=O)c2ccc(Br)c(S(=O)(=O)N3CCOCC3)c2)cc1	ZINC000103101647	555279056	/nfs/dbraw/zinc/27/90/56/555279056.db2.gz	OEIWWXBPEWFNQK-HNNXBMFYSA-N	0	0	525.421	3.216	50	0		KGAARN
COc1cc(-c2cc(C(=O)OCC(=O)Nc3cccc(S(N)(=O)=O)c3)c3ccccc3n2)cc(OC)c1OC	ZINC000103101805	555279368	/nfs/dbraw/zinc/27/93/68/555279368.db2.gz	HCOFYWSZHCOGAH-UHFFFAOYSA-N	0	0	551.577	3.371	50	0		KGAARN
O=C(COC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1	ZINC000103102049	555279458	/nfs/dbraw/zinc/27/94/58/555279458.db2.gz	IPKGFOWNGHZFEN-UHFFFAOYSA-N	0	0	569.661	3.018	50	0		KGAARN
C[C@@H]1Cc2ccccc2N1S(=O)(=O)c1cccc(C(=O)OCC(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)c1	ZINC000103102163	555279464	/nfs/dbraw/zinc/27/94/64/555279464.db2.gz	AVNFAAKKGIVMHL-HXUWFJFHSA-N	0	0	583.688	3.407	50	0		KGAARN
C[C@H]1Cc2ccccc2N1S(=O)(=O)c1cccc(C(=O)OCC(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)c1	ZINC000103102166	555279485	/nfs/dbraw/zinc/27/94/85/555279485.db2.gz	AVNFAAKKGIVMHL-FQEVSTJZSA-N	0	0	583.688	3.407	50	0		KGAARN
O=C(c1c(F)c(F)c(F)c(F)c1F)N1CCN(c2nc3nccc(-c4ccc(N5CCOCC5)cc4)n3n2)CC1	ZINC000103102252	555279717	/nfs/dbraw/zinc/27/97/17/555279717.db2.gz	SPNSTEFGPUUBSO-UHFFFAOYSA-N	0	0	559.499	3.286	50	0		KGAARN
O=C(CNC(=O)c1ccccc1)N1CCc2c(sc3[nH]c(=O)n(-c4ccccc4C(F)(F)F)c(=O)c23)C1	ZINC000103102307	555279730	/nfs/dbraw/zinc/27/97/30/555279730.db2.gz	IJXBDYSEXHBZIM-UHFFFAOYSA-N	0	0	528.512	3.074	50	0		KGAARN
COC(=O)c1c(C)c(C)sc1NC(=O)COC(=O)c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl	ZINC000103102404	555279884	/nfs/dbraw/zinc/27/98/84/555279884.db2.gz	HHPOIQODRGNVCZ-UHFFFAOYSA-N	0	0	565.453	3.275	50	0		KGAARN
CCOC(=O)c1c2c(sc1NC(=O)COC(=O)c1ccc(S(=O)(=O)NCc3ccco3)cc1)CCC2	ZINC000103102845	555280538	/nfs/dbraw/zinc/28/05/38/555280538.db2.gz	BBAUEHYSUVWPII-UHFFFAOYSA-N	0	0	532.596	3.281	50	0		KGAARN
C[C@H](c1ccccc1)n1c(SCC(=O)N2CCCC2)nnc1-c1cccc(S(=O)(=O)N2CCOCC2)c1	ZINC000103103598	555281111	/nfs/dbraw/zinc/28/11/11/555281111.db2.gz	IOYPBIBUBNZAHU-HXUWFJFHSA-N	0	0	541.699	3.290	50	0		KGAARN
CCOC(=O)C1CCN(C(=O)CCN(C(=O)c2cc3n(n2)CCCN(Cc2ccccc2)C3=O)[C@H](C)CC)CC1	ZINC000103104126	555281636	/nfs/dbraw/zinc/28/16/36/555281636.db2.gz	NDSUQHIYXGUIGD-JOCHJYFZSA-N	0	0	551.688	3.362	50	0		KGAARN
CCOC(=O)C1CCN(C(=O)CCN(C(=O)c2cc3n(n2)CCCN(Cc2ccccc2)C3=O)[C@@H](C)CC)CC1	ZINC000103104131	555281568	/nfs/dbraw/zinc/28/15/68/555281568.db2.gz	NDSUQHIYXGUIGD-QFIPXVFZSA-N	0	0	551.688	3.362	50	0		KGAARN
CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)Nc3ccc(C(F)(F)F)cc3)n2N)c1	ZINC000103104294	555281662	/nfs/dbraw/zinc/28/16/62/555281662.db2.gz	MQJQPPYITIJIBR-UHFFFAOYSA-N	0	0	528.582	3.439	50	0		KGAARN
CCOC(=O)c1c(C)c(C(C)=O)sc1NC(=O)CSc1nnc(-c2cccc(S(=O)(=O)N(CC)CC)c2)n1N	ZINC000103104348	555281686	/nfs/dbraw/zinc/28/16/86/555281686.db2.gz	VXDOZYBMFZYEPM-UHFFFAOYSA-N	0	0	594.741	3.169	50	0		KGAARN
CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCc3nc4sc(C(=O)OC)c(C)c4c(=O)[nH]3)o2)c1	ZINC000103104405	555281809	/nfs/dbraw/zinc/28/18/09/555281809.db2.gz	JFGDWHQHYGMPSA-UHFFFAOYSA-N	0	0	549.656	3.452	50	0		KGAARN
CS(=O)(=O)c1ccc(Cl)c(NC(=O)COC(=O)c2cccc(S(=O)(=O)N3CCCCCC3)c2)c1	ZINC000103105044	555282294	/nfs/dbraw/zinc/28/22/94/555282294.db2.gz	MZCBZBWTOZIBBC-UHFFFAOYSA-N	0	0	529.036	3.104	50	0		KGAARN
CS(=O)(=O)c1ccc(S(=O)(=O)N2CCN(CCO[C@@H](c3ccccc3)c3ccc(N4CCOCC4)cc3)CC2)cc1	ZINC000103105624	555282696	/nfs/dbraw/zinc/28/26/96/555282696.db2.gz	AATTYNNXNRTBIJ-PMERELPUSA-N	0	0	599.775	3.039	50	0		KGAARN
CS(=O)(=O)c1ccc(S(=O)(=O)N2CCN(CCO[C@H](c3ccccc3)c3ccc(N4CCOCC4)cc3)CC2)cc1	ZINC000103105627	555282756	/nfs/dbraw/zinc/28/27/56/555282756.db2.gz	AATTYNNXNRTBIJ-SSEXGKCCSA-N	0	0	599.775	3.039	50	0		KGAARN
COc1cc(/C=C\C(=O)OCC(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2Cl)cc(OC)c1OC	ZINC000103106363	1059667422	/nfs/dbraw/zinc/66/74/22/1059667422.db2.gz	UBVVLRIUOOGZLE-TWGQIWQCSA-N	0	0	539.006	3.345	50	0		KGAARN
O=C(C1=COc2ccc(Cl)cc2C1)N1CCN(c2nc3nccc(-c4ccc(N5CCOCC5)cc4)n3n2)CC1	ZINC000103108071	555283845	/nfs/dbraw/zinc/28/38/45/555283845.db2.gz	DLLQECJMHKUCQK-UHFFFAOYSA-N	0	0	558.042	3.449	50	0		KGAARN
O=C(COC(=O)Cc1ccc(Cl)cc1Cl)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1	ZINC000103109112	555284470	/nfs/dbraw/zinc/28/44/70/555284470.db2.gz	FSFSIDHTHJPOQW-UHFFFAOYSA-N	0	0	556.468	3.339	50	0		KGAARN
O=c1[nH]c(CN(CCN2CCOCC2)C[C@@H](O)COCc2ccccc2)nc2scc(-c3ccccc3)c21	ZINC000103109134	555284573	/nfs/dbraw/zinc/28/45/73/555284573.db2.gz	KWNHVJPMITVWBO-XMMPIXPASA-N	0	0	534.682	3.364	50	0		KGAARN
O=c1[nH]c(CN(CCN2CCOCC2)C[C@H](O)COCc2ccccc2)nc2scc(-c3ccccc3)c21	ZINC000103109137	555284553	/nfs/dbraw/zinc/28/45/53/555284553.db2.gz	KWNHVJPMITVWBO-DEOSSOPVSA-N	0	0	534.682	3.364	50	0		KGAARN
C[C@H](OC(=O)c1cc(Br)ccc1Cl)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1	ZINC000103109215	555284560	/nfs/dbraw/zinc/28/45/60/555284560.db2.gz	XIJXAEMCKVDMIF-ZDUSSCGKSA-N	0	0	531.812	3.307	50	0		KGAARN
C[C@@H](OC(=O)c1cc(Br)ccc1Cl)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1	ZINC000103109219	555284520	/nfs/dbraw/zinc/28/45/20/555284520.db2.gz	XIJXAEMCKVDMIF-CYBMUJFWSA-N	0	0	531.812	3.307	50	0		KGAARN
CCCCOc1ccc(C(=O)N2CCN(c3nc(CN4CCN(Cc5ccc(F)cc5)CC4)cc(=O)[nH]3)CC2)cc1	ZINC000103109267	555284487	/nfs/dbraw/zinc/28/44/87/555284487.db2.gz	ZEJZCLNDOYIECS-UHFFFAOYSA-N	0	0	562.690	3.368	50	0		KGAARN
Cc1oc(-c2cccc(C(F)(F)F)c2)nc1CC(=O)N1CCC[C@H]1C(=O)N1CCC(C(=O)N2CCOCC2)CC1	ZINC000103109512	555284777	/nfs/dbraw/zinc/28/47/77/555284777.db2.gz	HLSCSAYBOZFOGO-QHCPKHFHSA-N	0	0	562.589	3.300	50	0		KGAARN
O=C(COC(=O)c1cc(Cl)cc(Cl)c1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1	ZINC000103110951	555285317	/nfs/dbraw/zinc/28/53/17/555285317.db2.gz	AYQLZVOIWRBFGD-UHFFFAOYSA-N	0	0	542.441	3.410	50	0		KGAARN
CCCCNC(=O)N1CCC(N(Cc2ccc(Cl)cc2)C(=O)CN(CCOC)S(=O)(=O)CCC)CC1	ZINC000103111360	555285536	/nfs/dbraw/zinc/28/55/36/555285536.db2.gz	XRUNFMDEPSZSEO-UHFFFAOYSA-N	0	0	545.146	3.331	50	0		KGAARN
Cc1ccc(C(=O)c2ccccc2C(=O)OCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2C)cc1	ZINC000103111521	555285480	/nfs/dbraw/zinc/28/54/80/555285480.db2.gz	HDLRVCNIHOBUFY-UHFFFAOYSA-N	0	0	536.606	3.351	50	0		KGAARN
CCOC(=O)[C@@H]1CCCN(C(=O)c2nn(-c3ccc(C)c(C)c3)c(=O)n(Cc3ccc(C(F)(F)F)cc3)c2=O)C1	ZINC000103112667	555285905	/nfs/dbraw/zinc/28/59/05/555285905.db2.gz	KPRXGLHRKCGXSD-HXUWFJFHSA-N	0	0	558.557	3.493	50	0		KGAARN
CCOC(=O)[C@H]1CCCN(C(=O)c2nn(-c3ccc(C)c(C)c3)c(=O)n(Cc3ccc(C(F)(F)F)cc3)c2=O)C1	ZINC000103112670	555285934	/nfs/dbraw/zinc/28/59/34/555285934.db2.gz	KPRXGLHRKCGXSD-FQEVSTJZSA-N	0	0	558.557	3.493	50	0		KGAARN
O=C(COC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1)Nc1cccc(S(=O)(=O)N2CCCCC2)c1	ZINC000103112691	555285870	/nfs/dbraw/zinc/28/58/70/555285870.db2.gz	OFFLXBCJMHADSC-UHFFFAOYSA-N	0	0	584.116	3.485	50	0		KGAARN
CCOC(=O)c1c(C)c(C(=O)NC)sc1NC(=O)COC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1	ZINC000103112709	555285916	/nfs/dbraw/zinc/28/59/16/555285916.db2.gz	ATADHZMRVMMKBH-UHFFFAOYSA-N	0	0	586.088	3.216	50	0		KGAARN
COC(=O)c1sc(NC(=O)COC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCC3)c2)c(C(=O)OC)c1C	ZINC000103112724	555285861	/nfs/dbraw/zinc/28/58/61/555285861.db2.gz	OXMNILQONROHNM-UHFFFAOYSA-N	0	0	573.045	3.253	50	0		KGAARN
CCOC(=O)c1c(C)c(C(=O)N(C)C)sc1NC(=O)COC(=O)c1ccc(Cl)c(S(=O)(=O)N(CC)CC)c1	ZINC000103113320	555286360	/nfs/dbraw/zinc/28/63/60/555286360.db2.gz	BYGFBPWBOAMMQT-UHFFFAOYSA-N	0	0	588.104	3.414	50	0		KGAARN
O=C(COC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1	ZINC000103113513	555286611	/nfs/dbraw/zinc/28/66/11/555286611.db2.gz	HLELUSBGUGNZRB-QHCPKHFHSA-N	0	0	558.012	3.489	50	0		KGAARN
O=C(COC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1	ZINC000103113516	555286620	/nfs/dbraw/zinc/28/66/20/555286620.db2.gz	HLELUSBGUGNZRB-HSZRJFAPSA-N	0	0	558.012	3.489	50	0		KGAARN
CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)COC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1	ZINC000103113532	555286664	/nfs/dbraw/zinc/28/66/64/555286664.db2.gz	XOLBGIDPJNFFCS-UHFFFAOYSA-N	0	0	558.634	3.408	50	0		KGAARN
Cc1cc(C(=O)COC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)c(C)n1C[C@@H]1COc2ccccc2O1	ZINC000103113539	555286579	/nfs/dbraw/zinc/28/65/79/555286579.db2.gz	DKSGMTJSYSVFRN-JOCHJYFZSA-N	0	0	554.621	3.006	50	0		KGAARN
Cc1cc(C(=O)COC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)c(C)n1C[C@H]1COc2ccccc2O1	ZINC000103113543	555286591	/nfs/dbraw/zinc/28/65/91/555286591.db2.gz	DKSGMTJSYSVFRN-QFIPXVFZSA-N	0	0	554.621	3.006	50	0		KGAARN
O=C(COC(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)Nc1c(Cl)cccc1C(F)(F)F	ZINC000103113915	555286841	/nfs/dbraw/zinc/28/68/41/555286841.db2.gz	KHWHSIAFKMXOBW-UHFFFAOYSA-N	0	0	524.876	3.314	50	0		KGAARN
C[C@H](NC(=O)c1ccccc1NC(=O)COC(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)c1ccccc1	ZINC000103113951	555287096	/nfs/dbraw/zinc/28/70/96/555287096.db2.gz	UCFIBUQKGJBNRX-IBGZPJMESA-N	0	0	569.611	3.133	50	0		KGAARN
C[C@@H](NC(=O)c1ccccc1NC(=O)COC(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)c1ccccc1	ZINC000103113953	555287112	/nfs/dbraw/zinc/28/71/12/555287112.db2.gz	UCFIBUQKGJBNRX-LJQANCHMSA-N	0	0	569.611	3.133	50	0		KGAARN
COCCN(CC(=O)Nc1cc(N2CCN(C(=O)NC(C)C)CC2)ccc1Cl)S(=O)(=O)c1ccc(C)cc1	ZINC000103114279	555287030	/nfs/dbraw/zinc/28/70/30/555287030.db2.gz	ZSMIEQOKKCHOPU-UHFFFAOYSA-N	0	0	566.124	3.164	50	0		KGAARN
CCOC(=O)Nc1ccc2c(COC(=O)c3ccc(Cl)c(S(=O)(=O)N4CCOCC4)c3)cc(=O)oc2c1	ZINC000103114460	555287331	/nfs/dbraw/zinc/28/73/31/555287331.db2.gz	MVFFIUNKILYMSM-UHFFFAOYSA-N	0	0	550.973	3.393	50	0		KGAARN
CCOC(=O)c1c(C2CC2)csc1NC(=O)COC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1	ZINC000103114472	555287312	/nfs/dbraw/zinc/28/73/12/555287312.db2.gz	CFFQELMDGQFVJJ-UHFFFAOYSA-N	0	0	557.046	3.272	50	0		KGAARN
Cc1cc(C(=O)COC(=O)CN2C(=O)N[C@]3(CCc4ccccc43)C2=O)c(C)n1-c1c(C)n(C)n(-c2ccccc2)c1=O	ZINC000103115439	555287775	/nfs/dbraw/zinc/28/77/75/555287775.db2.gz	ARSWFJPFAIHBKO-YTTGMZPUSA-N	0	0	581.629	3.011	50	0		KGAARN
Cc1cc(C(=O)COC(=O)CN2C(=O)N[C@@]3(CCc4ccccc43)C2=O)c(C)n1-c1c(C)n(C)n(-c2ccccc2)c1=O	ZINC000103115441	555287803	/nfs/dbraw/zinc/28/78/03/555287803.db2.gz	ARSWFJPFAIHBKO-JGCGQSQUSA-N	0	0	581.629	3.011	50	0		KGAARN
CNC(=O)NC(=O)[C@H](OC(=O)[C@@H](CCSC)NS(=O)(=O)c1c(Cl)cccc1Cl)c1ccccc1	ZINC000103115750	555288054	/nfs/dbraw/zinc/28/80/54/555288054.db2.gz	WMLUCSKHHSELLS-IAGOWNOFSA-N	0	0	548.470	3.134	50	0		KGAARN
CNC(=O)NC(=O)[C@@H](OC(=O)[C@@H](CCSC)NS(=O)(=O)c1c(Cl)cccc1Cl)c1ccccc1	ZINC000103115752	555288085	/nfs/dbraw/zinc/28/80/85/555288085.db2.gz	WMLUCSKHHSELLS-SJORKVTESA-N	0	0	548.470	3.134	50	0		KGAARN
CNC(=O)NC(=O)[C@H](OC(=O)[C@H](CCSC)NS(=O)(=O)c1c(Cl)cccc1Cl)c1ccccc1	ZINC000103115753	555288038	/nfs/dbraw/zinc/28/80/38/555288038.db2.gz	WMLUCSKHHSELLS-DLBZAZTESA-N	0	0	548.470	3.134	50	0		KGAARN
CNC(=O)NC(=O)[C@@H](OC(=O)[C@H](CCSC)NS(=O)(=O)c1c(Cl)cccc1Cl)c1ccccc1	ZINC000103115756	555288067	/nfs/dbraw/zinc/28/80/67/555288067.db2.gz	WMLUCSKHHSELLS-IRXDYDNUSA-N	0	0	548.470	3.134	50	0		KGAARN
CCOC(=O)CCC(=O)N1CCN(c2cc(S(=O)(=O)N3CCC(Cc4ccccc4)CC3)ccc2OC)CC1	ZINC000103116083	555288264	/nfs/dbraw/zinc/28/82/64/555288264.db2.gz	DRQFJJLZRDRDCZ-UHFFFAOYSA-N	0	0	557.713	3.331	50	0		KGAARN
COC(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)OCC(=O)NC(c2ccccc2)c2ccccc2)CC1	ZINC000103116171	555288262	/nfs/dbraw/zinc/28/82/62/555288262.db2.gz	PRFHSBUNMHJAER-UHFFFAOYSA-N	0	0	550.633	3.323	50	0		KGAARN
COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)COC(=O)C[N-]S(=O)(=O)c2c(F)cccc2F)cc1	ZINC000103116319	555288510	/nfs/dbraw/zinc/28/85/10/555288510.db2.gz	DDJAHKNCHDTFCJ-QHCPKHFHSA-N	0	0	543.548	3.173	50	0		KGAARN
COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)COC(=O)C[N-]S(=O)(=O)c2c(F)cccc2F)cc1	ZINC000103116320	555288513	/nfs/dbraw/zinc/28/85/13/555288513.db2.gz	DDJAHKNCHDTFCJ-HSZRJFAPSA-N	0	0	543.548	3.173	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(S(=O)(=O)c3ccc(Cl)cc3)[C@H](C)C2)N(C)C(=O)N[C@@H]1c1ccc(F)cc1	ZINC000103116323	555288530	/nfs/dbraw/zinc/28/85/30/555288530.db2.gz	FAMPJSVJPDXWOB-MZNJEOGPSA-N	0	0	565.067	3.387	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(S(=O)(=O)c3ccc(Cl)cc3)[C@H](C)C2)N(C)C(=O)N[C@H]1c1ccc(F)cc1	ZINC000103116325	555288517	/nfs/dbraw/zinc/28/85/17/555288517.db2.gz	FAMPJSVJPDXWOB-OSPHWJPCSA-N	0	0	565.067	3.387	50	0		KGAARN
COc1ccc(S(=O)(=O)NCCc2ccc(F)cc2)cc1N1CCN(C(=O)[C@H](C)Oc2ccccc2)CC1	ZINC000103117126	555288718	/nfs/dbraw/zinc/28/87/18/555288718.db2.gz	BSGOHEMDKOIXGB-NRFANRHFSA-N	0	0	541.645	3.471	50	0		KGAARN
COc1ccc(S(=O)(=O)NCCc2ccc(F)cc2)cc1N1CCN(C(=O)[C@@H](C)Oc2ccccc2)CC1	ZINC000103117130	555288747	/nfs/dbraw/zinc/28/87/47/555288747.db2.gz	BSGOHEMDKOIXGB-OAQYLSRUSA-N	0	0	541.645	3.471	50	0		KGAARN
CCOC(=O)c1sc(N(Cc2ccccc2)C(=O)COC(=O)CSCC(=O)Nc2cc(C)on2)nc1C	ZINC000103117603	555288870	/nfs/dbraw/zinc/28/88/70/555288870.db2.gz	IXNKXOFNGCWVQR-UHFFFAOYSA-N	0	0	546.627	3.373	50	0		KGAARN
CCOC(=O)[C@H]1CCCN(C(=O)CCN(C(=O)c2cc3n(n2)CCCN(Cc2ccccc2)C3=O)[C@H](C)CC)C1	ZINC000103119048	555289272	/nfs/dbraw/zinc/28/92/72/555289272.db2.gz	RBYHDVWIIBWLTJ-VWNXMTODSA-N	0	0	551.688	3.362	50	0		KGAARN
CCOC(=O)[C@H]1CCCN(C(=O)CCN(C(=O)c2cc3n(n2)CCCN(Cc2ccccc2)C3=O)[C@@H](C)CC)C1	ZINC000103119053	555289351	/nfs/dbraw/zinc/28/93/51/555289351.db2.gz	RBYHDVWIIBWLTJ-UPVQGACJSA-N	0	0	551.688	3.362	50	0		KGAARN
CCOC(=O)[C@@H]1CCCN(C(=O)CCN(C(=O)c2cc3n(n2)CCCN(Cc2ccccc2)C3=O)[C@H](C)CC)C1	ZINC000103119057	555289354	/nfs/dbraw/zinc/28/93/54/555289354.db2.gz	RBYHDVWIIBWLTJ-ISKFKSNPSA-N	0	0	551.688	3.362	50	0		KGAARN
CCOC(=O)[C@@H]1CCCN(C(=O)CCN(C(=O)c2cc3n(n2)CCCN(Cc2ccccc2)C3=O)[C@@H](C)CC)C1	ZINC000103119060	555289311	/nfs/dbraw/zinc/28/93/11/555289311.db2.gz	RBYHDVWIIBWLTJ-LADGPHEKSA-N	0	0	551.688	3.362	50	0		KGAARN
CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)COC(=O)c1ccc(S(=O)(=O)C(F)F)cc1	ZINC000103120453	555289983	/nfs/dbraw/zinc/28/99/83/555289983.db2.gz	GUDFWBWBFXUHFM-UHFFFAOYSA-N	0	0	542.557	3.112	50	0		KGAARN
CCOC(=O)c1sc(-c2ccccc2)cc1NC(=O)COC(=O)[C@@H](C)NC1=NS(=O)(=O)c2ccccc21	ZINC000103120595	555290087	/nfs/dbraw/zinc/29/00/87/555290087.db2.gz	GPRQNTAWHUIEMJ-OAHLLOKOSA-N	0	0	541.607	3.201	50	0		KGAARN
CCOC(=O)c1sc(-c2ccccc2)cc1NC(=O)COC(=O)[C@H](C)NC1=NS(=O)(=O)c2ccccc21	ZINC000103120599	555290003	/nfs/dbraw/zinc/29/00/03/555290003.db2.gz	GPRQNTAWHUIEMJ-HNNXBMFYSA-N	0	0	541.607	3.201	50	0		KGAARN
CCOc1cc(/C=C\C(=O)OCC(=O)Nc2sc(C(N)=O)c(C)c2C(=O)OCCOC)cc(Cl)c1OC	ZINC000103120685	1059668384	/nfs/dbraw/zinc/66/83/84/1059668384.db2.gz	HNUKDCMFFXJFFV-SREVYHEPSA-N	0	0	555.005	3.214	50	0		KGAARN
O=C(COC(=O)CCNC1=NS(=O)(=O)c2ccccc21)Nc1cc(-c2ccccc2)nn1-c1ccccc1	ZINC000103120817	555290089	/nfs/dbraw/zinc/29/00/89/555290089.db2.gz	ANHBGSHZSSUBTE-UHFFFAOYSA-N	0	0	529.578	3.150	50	0		KGAARN
CCOC(=O)c1c(-c2cccs2)csc1NC(=O)COC(=O)CCNC1=NS(=O)(=O)c2ccccc21	ZINC000103120833	555290086	/nfs/dbraw/zinc/29/00/86/555290086.db2.gz	RENPSYSSTQVGSD-UHFFFAOYSA-N	0	0	547.636	3.264	50	0		KGAARN
COc1ccccc1N1C(=O)[C@@H]2[C@H](c3ccco3)N3[C@@H]4C(=O)N(c5ccccc5OC)C(=O)[C@@H]4[C@@H](c4ccco4)N3[C@H]2C1=O	ZINC000103121464	555290669	/nfs/dbraw/zinc/29/06/69/555290669.db2.gz	PYQSMNSSVLWBTE-HKVPEBPQSA-N	0	0	594.580	3.335	50	0		KGAARN
CC[C@@H](c1nnc(S[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)n1Cc1ccccc1)N(C)C	ZINC000103121482	555290662	/nfs/dbraw/zinc/29/06/62/555290662.db2.gz	BZGXFBYYDLPOIA-RDPSFJRHSA-N	0	0	572.757	3.479	50	0		KGAARN
CC[C@H](c1nnc(S[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)n1Cc1ccccc1)N(C)C	ZINC000103121483	555290624	/nfs/dbraw/zinc/29/06/24/555290624.db2.gz	BZGXFBYYDLPOIA-GBXCKJPGSA-N	0	0	572.757	3.479	50	0		KGAARN
CC[C@@H](c1nnc(S[C@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)n1Cc1ccccc1)N(C)C	ZINC000103121486	555290737	/nfs/dbraw/zinc/29/07/37/555290737.db2.gz	BZGXFBYYDLPOIA-YKSBVNFPSA-N	0	0	572.757	3.479	50	0		KGAARN
CC[C@H](c1nnc(S[C@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)n1Cc1ccccc1)N(C)C	ZINC000103121489	555290650	/nfs/dbraw/zinc/29/06/50/555290650.db2.gz	BZGXFBYYDLPOIA-HYBUGGRVSA-N	0	0	572.757	3.479	50	0		KGAARN
C[C@@H](c1nnc(SCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)n1-c1ccc(F)cc1)N1CCCCC1	ZINC000103121940	555290760	/nfs/dbraw/zinc/29/07/60/555290760.db2.gz	LTLYKOZLUOAAKJ-SFHVURJKSA-N	0	0	546.694	3.052	50	0		KGAARN
C[C@H](c1nnc(SCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)n1-c1ccc(F)cc1)N1CCCCC1	ZINC000103121943	555290990	/nfs/dbraw/zinc/29/09/90/555290990.db2.gz	LTLYKOZLUOAAKJ-GOSISDBHSA-N	0	0	546.694	3.052	50	0		KGAARN
COc1ccc(C(=O)N(CC(=O)N2CCN(c3ccc(-c4ccc(OC)cc4OC)nn3)CC2)C[C@@H]2CCCO2)cc1	ZINC000103122084	555291010	/nfs/dbraw/zinc/29/10/10/555291010.db2.gz	LZJFWPMESWUJAL-VWLOTQADSA-N	0	0	575.666	3.139	50	0		KGAARN
COc1ccc(C(=O)N(CC(=O)N2CCN(c3ccc(-c4ccc(OC)cc4OC)nn3)CC2)C[C@H]2CCCO2)cc1	ZINC000103122087	555291004	/nfs/dbraw/zinc/29/10/04/555291004.db2.gz	LZJFWPMESWUJAL-RUZDIDTESA-N	0	0	575.666	3.139	50	0		KGAARN
COc1ccc(-c2ccc(N3CCN(C(=O)CN(Cc4ccc5c(c4)OCO5)C(=O)C(C)C)CC3)nn2)cc1OC	ZINC000103122143	555291017	/nfs/dbraw/zinc/29/10/17/555291017.db2.gz	WUAADABTCWYJKZ-UHFFFAOYSA-N	0	0	561.639	3.223	50	0		KGAARN
COc1cc(/C=C\C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3C)CC2)cc(Cl)c1OC	ZINC000103122186	1059668325	/nfs/dbraw/zinc/66/83/25/1059668325.db2.gz	PRICAQRXQNTVFB-VURMDHGXSA-N	0	0	537.034	3.064	50	0		KGAARN
Cc1nn(-c2ccc(F)cc2)c(C)c1/C=C\C(=O)OCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl	ZINC000103122439	1059668464	/nfs/dbraw/zinc/66/84/64/1059668464.db2.gz	NLWCYWZPTDUPSG-NTMALXAHSA-N	0	0	577.034	3.498	50	0		KGAARN
CCc1cc2c(nc(SCC(=O)Nc3cc(S(=O)(=O)N4CCOCC4)ccc3Cl)n(CC)c2=O)s1	ZINC000103122810	555291397	/nfs/dbraw/zinc/29/13/97/555291397.db2.gz	PDAULUXWQRRJNS-UHFFFAOYSA-N	0	0	557.119	3.445	50	0		KGAARN
CCCCN1C(=O)C(=O)N(CC(=O)Nc2sc(Cc3ccc4c(c3)OCO4)c(C)c2C(=O)OCC)C1=O	ZINC000103123217	555291633	/nfs/dbraw/zinc/29/16/33/555291633.db2.gz	XLISADVAZBVSKU-UHFFFAOYSA-N	0	0	529.571	3.082	50	0		KGAARN
CCOC(=O)C1=C(COC(=O)CSc2nnc(-c3ccco3)n2CC)NC(=O)N[C@H]1c1ccc(OC)cc1	ZINC000103123299	555291556	/nfs/dbraw/zinc/29/15/56/555291556.db2.gz	QOCQJMJADLDHSW-NRFANRHFSA-N	0	0	541.586	3.073	50	0		KGAARN
CCOC(=O)C1=C(COC(=O)CSc2nnc(-c3ccco3)n2CC)NC(=O)N[C@@H]1c1ccc(OC)cc1	ZINC000103123302	555291571	/nfs/dbraw/zinc/29/15/71/555291571.db2.gz	QOCQJMJADLDHSW-OAQYLSRUSA-N	0	0	541.586	3.073	50	0		KGAARN
CCCCn1c(=O)c2ccc(C(=O)OC)cc2nc1SCC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1	ZINC000103123327	555291788	/nfs/dbraw/zinc/29/17/88/555291788.db2.gz	PAPZOYAIEJCPFQ-UHFFFAOYSA-N	0	0	609.126	3.388	50	0		KGAARN
COc1cc(F)c(CSc2nc3cc(S(=O)(=O)N4CCOCC4)ccc3n2CCCN2CCOCC2)cc1OC	ZINC000103124177	555292014	/nfs/dbraw/zinc/29/20/14/555292014.db2.gz	NFOXENXPEISWSA-UHFFFAOYSA-N	0	0	594.731	3.228	50	0		KGAARN
CCOC(=O)c1sc2nc(CSCC(=O)OCC(=O)Nc3ccc(OC(F)F)cc3)[nH]c(=O)c2c1C	ZINC000103124206	555292065	/nfs/dbraw/zinc/29/20/65/555292065.db2.gz	RMNYGKSCFMAYBM-UHFFFAOYSA-N	0	0	541.554	3.486	50	0		KGAARN
COc1ccc(S(=O)(=O)NCCc2ccc(F)cc2)cc1N1CCN(S(=O)(=O)c2ccccc2F)CC1	ZINC000103124863	555292782	/nfs/dbraw/zinc/29/27/82/555292782.db2.gz	WCRKPDJKPKYIQD-UHFFFAOYSA-N	0	0	551.637	3.005	50	0		KGAARN
COc1ccc(NC(=O)CSc2nnc(-c3cccc(S(=O)(=O)N4CCOCC4)c3)n2CC(C)C)cc1OC	ZINC000103125048	555293002	/nfs/dbraw/zinc/29/30/02/555293002.db2.gz	BQSWNMBPWDIILL-UHFFFAOYSA-N	0	0	575.713	3.370	50	0		KGAARN
CC(C)Cn1c(SCC(=O)NCc2cccs2)nnc1-c1cccc(S(=O)(=O)N2CCOCC2)c1	ZINC000103125079	555292962	/nfs/dbraw/zinc/29/29/62/555292962.db2.gz	FJFMSBVOTQKQMP-UHFFFAOYSA-N	0	0	535.717	3.092	50	0		KGAARN
COc1ccc(S(=O)(=O)N2CCC(Cc3ccccc3)CC2)cc1N1CCN(C(=O)C(C)(C)OC(C)=O)CC1	ZINC000103125291	555293551	/nfs/dbraw/zinc/29/35/51/555293551.db2.gz	KYFRZASGCXIXNU-UHFFFAOYSA-N	0	0	557.713	3.329	50	0		KGAARN
COC[C@H](C)n1c(COc2ccccc2F)nnc1SCC(=O)Nc1cccc(S(=O)(=O)N(C)C)c1	ZINC000103126997	555295076	/nfs/dbraw/zinc/29/50/76/555295076.db2.gz	NERGNYAXKYUPIK-INIZCTEOSA-N	0	0	537.639	3.185	50	0		KGAARN
COC[C@@H](C)n1c(COc2ccccc2F)nnc1SCC(=O)Nc1cccc(S(=O)(=O)N(C)C)c1	ZINC000103126999	555295074	/nfs/dbraw/zinc/29/50/74/555295074.db2.gz	NERGNYAXKYUPIK-MRXNPFEDSA-N	0	0	537.639	3.185	50	0		KGAARN
Cn1c(N)c(C(=O)COC(=O)c2c3c(nc4ccccc42)C(=Cc2ccc(Cl)cc2)CC3)c(=O)n(C)c1=O	ZINC000103127192	555295254	/nfs/dbraw/zinc/29/52/54/555295254.db2.gz	ALRRSGIAISUJSD-SSZFMOIBSA-N	0	0	530.968	3.394	50	0		KGAARN
O=C(COC(=O)C[C@@H]1Sc2ccccc2NC1=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl	ZINC000103128066	555296057	/nfs/dbraw/zinc/29/60/57/555296057.db2.gz	FGAQBSXDTMYBJD-FQEVSTJZSA-N	0	0	538.047	3.499	50	0		KGAARN
O=C(COC(=O)C[C@H]1Sc2ccccc2NC1=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl	ZINC000103128069	555295998	/nfs/dbraw/zinc/29/59/98/555295998.db2.gz	FGAQBSXDTMYBJD-HXUWFJFHSA-N	0	0	538.047	3.499	50	0		KGAARN
COc1ccc(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)[C@@H]2CCCN(C(=O)c3cc(OC)c(OC)c(OC)c3)C2)cc1	ZINC000103128783	555296971	/nfs/dbraw/zinc/29/69/71/555296971.db2.gz	MIKDXUWRYYKNBT-AGILITTLSA-N	0	0	553.656	3.431	50	0		KGAARN
COc1ccc(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)[C@H]2CCCN(C(=O)c3cc(OC)c(OC)c(OC)c3)C2)cc1	ZINC000103128785	555297009	/nfs/dbraw/zinc/29/70/09/555297009.db2.gz	MIKDXUWRYYKNBT-TUACAJSNSA-N	0	0	553.656	3.431	50	0		KGAARN
COc1cc(C(=O)OCC(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)cc(NC(=O)c2cccs2)c1OC	ZINC000103128817	555296957	/nfs/dbraw/zinc/29/69/57/555296957.db2.gz	CWITZEDELJHOKL-UHFFFAOYSA-N	0	0	624.093	3.487	50	0		KGAARN
COc1ccc(N(C)S(=O)(=O)c2ccc(OC)c(N3CCN(S(=O)(=O)c4ccc(F)cc4F)CC3)c2)cc1	ZINC000103128821	555297245	/nfs/dbraw/zinc/29/72/45/555297245.db2.gz	KOALFMKVRVKGEF-UHFFFAOYSA-N	0	0	567.636	3.318	50	0		KGAARN
O=C(CSc1nc2ccccc2c(=O)n1Cc1ccc(F)cc1)N1CCN(S(=O)(=O)c2ccccc2)CC1	ZINC000103129403	555297913	/nfs/dbraw/zinc/29/79/13/555297913.db2.gz	OWHVJRSNNJHTPL-UHFFFAOYSA-N	0	0	552.653	3.209	50	0		KGAARN
COc1ccc(/C=C2/N=C(SCC(=O)N[C@@H]3CCS(=O)(=O)C3)N(c3ccc(OC(F)F)cc3)C2=O)cc1	ZINC000103129440	555298005	/nfs/dbraw/zinc/29/80/05/555298005.db2.gz	VFEWDVZQWLBOKK-DDLUMYACSA-N	0	0	551.593	3.077	50	0		KGAARN
COc1ccc(/C=C2/N=C(SCC(=O)N[C@H]3CCS(=O)(=O)C3)N(c3ccc(OC(F)F)cc3)C2=O)cc1	ZINC000103129445	555297983	/nfs/dbraw/zinc/29/79/83/555297983.db2.gz	VFEWDVZQWLBOKK-DORSJAEJSA-N	0	0	551.593	3.077	50	0		KGAARN
COc1ccc(N(C)S(=O)(=O)c2ccc(OC)c(N3CCN(S(=O)(=O)c4cccc(F)c4)CC3)c2)cc1	ZINC000103129452	555297963	/nfs/dbraw/zinc/29/79/63/555297963.db2.gz	DGNXKFFFEWUZKA-UHFFFAOYSA-N	0	0	549.646	3.179	50	0		KGAARN
COc1ccccc1CNC(=O)CSc1nc2ccccc2c(=O)n1-c1cc(S(=O)(=O)N(C)C)ccc1C	ZINC000103129598	555298259	/nfs/dbraw/zinc/29/82/59/555298259.db2.gz	XCZGYHPHRLENBI-UHFFFAOYSA-N	0	0	552.678	3.362	50	0		KGAARN
C[C@H](Sc1nnc(-c2ccc3c(c2)OCO3)n1-c1ccccc1)C(=O)Nc1ccc(S(N)(=O)=O)cc1	ZINC000103129716	555298454	/nfs/dbraw/zinc/29/84/54/555298454.db2.gz	DVPLHOMBECVQKI-HNNXBMFYSA-N	0	0	523.596	3.430	50	0		KGAARN
C[C@@H](Sc1nnc(-c2ccc3c(c2)OCO3)n1-c1ccccc1)C(=O)Nc1ccc(S(N)(=O)=O)cc1	ZINC000103129718	555298491	/nfs/dbraw/zinc/29/84/91/555298491.db2.gz	DVPLHOMBECVQKI-OAHLLOKOSA-N	0	0	523.596	3.430	50	0		KGAARN
COc1ccc(S(=O)(=O)NCCc2ccc(F)cc2)cc1N1CCN(C(=O)[C@@H](OC(C)=O)c2ccccc2)CC1	ZINC000103129757	555298443	/nfs/dbraw/zinc/29/84/43/555298443.db2.gz	PLQLDUAMUYTOMH-NDEPHWFRSA-N	0	0	569.655	3.308	50	0		KGAARN
COc1ccc(S(=O)(=O)NCCc2ccc(F)cc2)cc1N1CCN(C(=O)[C@H](OC(C)=O)c2ccccc2)CC1	ZINC000103129761	555298521	/nfs/dbraw/zinc/29/85/21/555298521.db2.gz	PLQLDUAMUYTOMH-MUUNZHRXSA-N	0	0	569.655	3.308	50	0		KGAARN
CCCCN1C(=O)c2ccc(C(=O)OCC(=O)Nc3cc(S(=O)(=O)N4CCCCC4)ccc3C)cc2C1=O	ZINC000103130060	555298897	/nfs/dbraw/zinc/29/88/97/555298897.db2.gz	YMNNYKLXHRVSJE-UHFFFAOYSA-N	0	0	541.626	3.361	50	0		KGAARN
C[C@H](OC(=O)c1ccc2c(c1)C(=O)N(c1ccc(Cl)cc1)C2=O)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1	ZINC000103130071	555298893	/nfs/dbraw/zinc/29/88/93/555298893.db2.gz	DSWDPOAPKLPDDE-KRWDZBQOSA-N	0	0	598.033	3.346	50	0		KGAARN
C[C@@H](OC(=O)c1ccc2c(c1)C(=O)N(c1ccc(Cl)cc1)C2=O)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1	ZINC000103130073	555298908	/nfs/dbraw/zinc/29/89/08/555298908.db2.gz	DSWDPOAPKLPDDE-QGZVFWFLSA-N	0	0	598.033	3.346	50	0		KGAARN
CCCC[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)Nc2ccc(S(=O)(=O)N3C[C@@H](C)O[C@@H](C)C3)cc2)C1=O	ZINC000103130284	555298882	/nfs/dbraw/zinc/29/88/82/555298882.db2.gz	QZVBUPIEIKHHGM-CUMRGQLISA-N	0	0	560.648	3.200	50	0		KGAARN
CCCC[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)Nc2ccc(S(=O)(=O)N3C[C@@H](C)O[C@@H](C)C3)cc2)C1=O	ZINC000103130288	555298859	/nfs/dbraw/zinc/29/88/59/555298859.db2.gz	QZVBUPIEIKHHGM-VXLXPWSCSA-N	0	0	560.648	3.200	50	0		KGAARN
CCCC[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)Nc2ccc(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)C1=O	ZINC000103130298	555298924	/nfs/dbraw/zinc/29/89/24/555298924.db2.gz	QZVBUPIEIKHHGM-DRGJWEBESA-N	0	0	560.648	3.200	50	0		KGAARN
COc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1N1CCN(C(=O)c2ccccc2OC(F)(F)F)CC1	ZINC000103130819	555299980	/nfs/dbraw/zinc/29/99/80/555299980.db2.gz	OEAIURMTJUCENL-KRWDZBQOSA-N	0	0	543.564	3.014	50	0		KGAARN
COc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1N1CCN(C(=O)c2ccccc2OC(F)(F)F)CC1	ZINC000103130821	555299928	/nfs/dbraw/zinc/29/99/28/555299928.db2.gz	OEAIURMTJUCENL-QGZVFWFLSA-N	0	0	543.564	3.014	50	0		KGAARN
COCCn1c(COc2ccccc2-c2ccccc2)nnc1SCC(=O)NCCc1ccc(S(N)(=O)=O)cc1	ZINC000103130976	555299931	/nfs/dbraw/zinc/29/99/31/555299931.db2.gz	OKYOLBCUJZPRSY-UHFFFAOYSA-N	0	0	581.720	3.269	50	0		KGAARN
CCCS(=O)(=O)N(CCOC)CC(=O)N(Cc1ccc(Cl)cc1)C1CCN(C(=O)c2ccc3c(c2)OCO3)CC1	ZINC000103131557	555300846	/nfs/dbraw/zinc/30/08/46/555300846.db2.gz	HMKUMCMXBBCZBY-UHFFFAOYSA-N	0	0	594.130	3.390	50	0		KGAARN
CCCN(CC(=O)N(Cc1cccc(F)c1)C1CCN(S(=O)(=O)CC)CC1)S(=O)(=O)c1ccccc1	ZINC000103131749	555301063	/nfs/dbraw/zinc/30/10/63/555301063.db2.gz	KQQAMZGHCQXICH-UHFFFAOYSA-N	0	0	539.695	3.069	50	0		KGAARN
CC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N[C@@H]3CCCC[C@H]3NC(=O)c3ccccc3C)C2)cc1	ZINC000103132348	555301968	/nfs/dbraw/zinc/30/19/68/555301968.db2.gz	JYICJOBXKWNENN-LPPUWEFUSA-N	0	0	540.686	3.212	50	0		KGAARN
CC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N[C@@H]3CCCC[C@H]3NC(=O)c3ccccc3C)C2)cc1	ZINC000103132353	555301905	/nfs/dbraw/zinc/30/19/05/555301905.db2.gz	JYICJOBXKWNENN-RMUDUWAUSA-N	0	0	540.686	3.212	50	0		KGAARN
COc1ccc(OCc2nnc(SCC(=O)NCCc3ccc(S(N)(=O)=O)cc3)n2-c2ccccc2F)cc1	ZINC000103132403	555301965	/nfs/dbraw/zinc/30/19/65/555301965.db2.gz	LGLXNEMRXCHJKO-UHFFFAOYSA-N	0	0	571.656	3.092	50	0		KGAARN
CCN(C(=O)CSc1nnc(Cn2cnc3ccccc32)n1-c1ccccc1Cl)[C@@H]1CCS(=O)(=O)C1	ZINC000103132778	555302336	/nfs/dbraw/zinc/30/23/36/555302336.db2.gz	JVTPQSWWWVECEP-QGZVFWFLSA-N	0	0	545.090	3.446	50	0		KGAARN
CCN(C(=O)CSc1nnc(Cn2cnc3ccccc32)n1-c1ccccc1Cl)[C@H]1CCS(=O)(=O)C1	ZINC000103132780	555302374	/nfs/dbraw/zinc/30/23/74/555302374.db2.gz	JVTPQSWWWVECEP-KRWDZBQOSA-N	0	0	545.090	3.446	50	0		KGAARN
CN(C(=O)CSc1nnc(Cn2cnc3ccccc32)n1-c1ccccc1Cl)[C@@H]1CCS(=O)(=O)C1	ZINC000103132783	555302371	/nfs/dbraw/zinc/30/23/71/555302371.db2.gz	LLQNIDDRSZTVMP-MRXNPFEDSA-N	0	0	531.063	3.056	50	0		KGAARN
CN(C(=O)CSc1nnc(Cn2cnc3ccccc32)n1-c1ccccc1Cl)[C@H]1CCS(=O)(=O)C1	ZINC000103132785	555302343	/nfs/dbraw/zinc/30/23/43/555302343.db2.gz	LLQNIDDRSZTVMP-INIZCTEOSA-N	0	0	531.063	3.056	50	0		KGAARN
Cc1nn(-c2ccccc2)c2nc(-c3cccs3)cc(C(=O)OCC(=O)N(C)[C@H]3CCS(=O)(=O)C3)c12	ZINC000103133230	555302821	/nfs/dbraw/zinc/30/28/21/555302821.db2.gz	DMOGEKHWZGRSHH-SFHVURJKSA-N	0	0	524.624	3.260	50	0		KGAARN
Cc1nn(-c2ccccc2)c2nc(-c3cccs3)cc(C(=O)OCC(=O)NCCN3C(=O)CSC3=O)c12	ZINC000103133236	555302875	/nfs/dbraw/zinc/30/28/75/555302875.db2.gz	YOGSKLAPTCAJRI-UHFFFAOYSA-N	0	0	535.607	3.426	50	0		KGAARN
O=C(N[C@H](C(=O)N1CCOCC1)C1CCN(C(=O)c2cccc(Br)c2)CC1)c1ccc(F)cc1	ZINC000103133400	555303077	/nfs/dbraw/zinc/30/30/77/555303077.db2.gz	QDCIAYBIQHSXLV-QFIPXVFZSA-N	0	0	532.410	3.098	50	0		KGAARN
O=C(N[C@@H](C(=O)N1CCOCC1)C1CCN(C(=O)c2cccc(Br)c2)CC1)c1ccc(F)cc1	ZINC000103133403	555303086	/nfs/dbraw/zinc/30/30/86/555303086.db2.gz	QDCIAYBIQHSXLV-JOCHJYFZSA-N	0	0	532.410	3.098	50	0		KGAARN
CCCCOc1ccc(C(=O)N2CCN(c3nc(CN4CCN(c5ccccc5F)CC4)cc(=O)[nH]3)CC2)cc1	ZINC000103133745	555303278	/nfs/dbraw/zinc/30/32/78/555303278.db2.gz	NALWZHVZLFPOOI-UHFFFAOYSA-N	0	0	548.663	3.373	50	0		KGAARN
CCN(C(=O)COC(=O)CSc1nc2cc(Cl)ccc2n1Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1	ZINC000103134062	555303576	/nfs/dbraw/zinc/30/35/76/555303576.db2.gz	MKNAXQNLKCBNRY-LJQANCHMSA-N	0	0	536.075	3.409	50	0		KGAARN
CCN(C(=O)COC(=O)CSc1nc2cc(Cl)ccc2n1Cc1ccccc1)[C@H]1CCS(=O)(=O)C1	ZINC000103134063	555303730	/nfs/dbraw/zinc/30/37/30/555303730.db2.gz	MKNAXQNLKCBNRY-IBGZPJMESA-N	0	0	536.075	3.409	50	0		KGAARN
COc1cc(OC)cc(C(=O)N2CCN(c3cc(S(=O)(=O)NCCc4ccc(F)cc4)ccc3OC)CC2)c1	ZINC000103134241	555303727	/nfs/dbraw/zinc/30/37/27/555303727.db2.gz	WAWXWJOWGYNHMX-UHFFFAOYSA-N	0	0	557.644	3.335	50	0		KGAARN
COc1cc(OC)cc(C(=O)N2CCN(c3cc(S(=O)(=O)N4CCc5cc(OC)c(OC)cc5C4)ccc3OC)CC2)c1	ZINC000103134265	555303976	/nfs/dbraw/zinc/30/39/76/555303976.db2.gz	ZENMWJYHMHXFGJ-UHFFFAOYSA-N	0	0	611.717	3.439	50	0		KGAARN
CCn1c(SCC(=O)N2CCN(Cc3ccccc3)CC2)nnc1-c1cccc(S(=O)(=O)N2CCCC2)c1	ZINC000103134339	555304005	/nfs/dbraw/zinc/30/40/05/555304005.db2.gz	CVGWENWYYRUEEX-UHFFFAOYSA-N	0	0	554.742	3.186	50	0		KGAARN
COc1ccc(N(C)S(=O)(=O)c2ccc(OC)c(N3CCN(S(=O)(=O)c4cc(OC)ccc4OC)CC3)c2)cc1	ZINC000103134348	555304017	/nfs/dbraw/zinc/30/40/17/555304017.db2.gz	RTQPDJAFZPCQEP-UHFFFAOYSA-N	0	0	591.708	3.057	50	0		KGAARN
COc1ccc(N(C)S(=O)(=O)c2ccc(OC)c(N3CCN(S(=O)(=O)c4ccc(C)cc4)CC3)c2)cc1	ZINC000103134388	555304010	/nfs/dbraw/zinc/30/40/10/555304010.db2.gz	QPNBLYMWXPGDRZ-UHFFFAOYSA-N	0	0	545.683	3.348	50	0		KGAARN
COc1ccc(C(=O)OCC(=O)N(C)CC(=O)Nc2ccc(C)cc2)cc1S(=O)(=O)NCc1ccc(Cl)cc1	ZINC000103134676	555304149	/nfs/dbraw/zinc/30/41/49/555304149.db2.gz	CPUQHRAIGQGIEV-UHFFFAOYSA-N	0	0	574.055	3.389	50	0		KGAARN
C[C@@H]1CCc2c(sc3nc(SCC(=O)N(C)[C@@H]4CCS(=O)(=O)C4)n(-c4ccccc4F)c(=O)c32)C1	ZINC000103134865	555304403	/nfs/dbraw/zinc/30/44/03/555304403.db2.gz	JGKPTIPNDSVVMI-HUUCEWRRSA-N	0	0	535.688	3.449	50	0		KGAARN
C[C@H]1CCc2c(sc3nc(SCC(=O)N(C)[C@@H]4CCS(=O)(=O)C4)n(-c4ccccc4F)c(=O)c32)C1	ZINC000103134870	555304435	/nfs/dbraw/zinc/30/44/35/555304435.db2.gz	JGKPTIPNDSVVMI-LSDHHAIUSA-N	0	0	535.688	3.449	50	0		KGAARN
C[C@@H]1CCc2c(sc3nc(SCC(=O)N(C)[C@H]4CCS(=O)(=O)C4)n(-c4ccccc4F)c(=O)c32)C1	ZINC000103134871	555304376	/nfs/dbraw/zinc/30/43/76/555304376.db2.gz	JGKPTIPNDSVVMI-CABCVRRESA-N	0	0	535.688	3.449	50	0		KGAARN
C[C@H]1CCc2c(sc3nc(SCC(=O)N(C)[C@H]4CCS(=O)(=O)C4)n(-c4ccccc4F)c(=O)c32)C1	ZINC000103134874	555304397	/nfs/dbraw/zinc/30/43/97/555304397.db2.gz	JGKPTIPNDSVVMI-GJZGRUSLSA-N	0	0	535.688	3.449	50	0		KGAARN
CCCN(CC(=O)N(Cc1ccc(OC)cc1)C1CCN(C(=O)CCC(=O)OCC)CC1)S(=O)(=O)c1ccccc1	ZINC000103134916	555304400	/nfs/dbraw/zinc/30/44/00/555304400.db2.gz	BPVBGDTXSCXJTH-UHFFFAOYSA-N	0	0	587.739	3.459	50	0		KGAARN
CCc1ccc(S(=O)(=O)N2CCN(c3cc(S(=O)(=O)NCCc4ccc(F)cc4)ccc3OC)CC2)cc1	ZINC000103135009	555304550	/nfs/dbraw/zinc/30/45/50/555304550.db2.gz	UDGILQLGQHXZNG-UHFFFAOYSA-N	0	0	561.701	3.429	50	0		KGAARN
COc1ccc(CCN(C)S(=O)(=O)c2ccc(OC)c(N3CCN(S(=O)(=O)c4ccccc4F)CC3)c2)cc1OC	ZINC000103135050	555304506	/nfs/dbraw/zinc/30/45/06/555304506.db2.gz	UMWDOQQIKYPRDC-UHFFFAOYSA-N	0	0	607.726	3.226	50	0		KGAARN
COC(=O)c1sc(NC(=O)COC(=O)c2ccccc2SCC(=O)N2CCCC2)c(C(=O)OC)c1C	ZINC000103135236	555304826	/nfs/dbraw/zinc/30/48/26/555304826.db2.gz	BBDXPMOWJVLWFT-UHFFFAOYSA-N	0	0	534.612	3.140	50	0		KGAARN
CCCS(=O)(=O)N(CCC(C)C)CC(=O)N(Cc1ccccc1C)C1CCN(C(=O)NCC(=O)OCC)CC1	ZINC000103135274	555304798	/nfs/dbraw/zinc/30/47/98/555304798.db2.gz	IPJXLCAMNXJHST-UHFFFAOYSA-N	0	0	566.765	3.149	50	0		KGAARN
Cc1ccc(C2(c3ccc(C)cc3)NC(=O)N(CC(=O)N3CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)C2=O)cc1	ZINC000103135416	555304951	/nfs/dbraw/zinc/30/49/51/555304951.db2.gz	PBAMTMDJDKXYKZ-UHFFFAOYSA-N	0	0	581.094	3.285	50	0		KGAARN
COc1cc(/C=C\C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)ccc1OC(F)F	ZINC000103135487	1059668489	/nfs/dbraw/zinc/66/84/89/1059668489.db2.gz	UZQDNSGFQGUYRP-OQFOIZHKSA-N	0	0	544.960	3.040	50	0		KGAARN
COc1cc(/C=C\C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3C)CC2)ccc1OC(F)F	ZINC000103135490	1059668604	/nfs/dbraw/zinc/66/86/04/1059668604.db2.gz	RHJFOKVIGVWIER-TWGQIWQCSA-N	0	0	538.569	3.003	50	0		KGAARN
CCN(CC)S(=O)(=O)c1cccc(C(=O)N[C@H](C(=O)O[C@@H](C)C(=O)N2CCCc3ccccc32)C(C)C)c1	ZINC000103135680	555305250	/nfs/dbraw/zinc/30/52/50/555305250.db2.gz	ZMMMQXGZAOQMAL-CPJSRVTESA-N	0	0	543.686	3.383	50	0		KGAARN
CCN(CC)S(=O)(=O)c1cccc(C(=O)N[C@@H](C(=O)O[C@@H](C)C(=O)N2CCCc3ccccc32)C(C)C)c1	ZINC000103135684	555305230	/nfs/dbraw/zinc/30/52/30/555305230.db2.gz	ZMMMQXGZAOQMAL-NBGIEHNGSA-N	0	0	543.686	3.383	50	0		KGAARN
CCN(CC)S(=O)(=O)c1cccc(C(=O)N[C@H](C(=O)O[C@H](C)C(=O)N2CCCc3ccccc32)C(C)C)c1	ZINC000103135686	555305191	/nfs/dbraw/zinc/30/51/91/555305191.db2.gz	ZMMMQXGZAOQMAL-NLFFAJNJSA-N	0	0	543.686	3.383	50	0		KGAARN
CCN(CC)S(=O)(=O)c1cccc(C(=O)N[C@@H](C(=O)O[C@H](C)C(=O)N2CCCc3ccccc32)C(C)C)c1	ZINC000103135689	555305245	/nfs/dbraw/zinc/30/52/45/555305245.db2.gz	ZMMMQXGZAOQMAL-CJFMBICVSA-N	0	0	543.686	3.383	50	0		KGAARN
CCOC(=O)c1c(NC(=O)COC(=O)CCNS(=O)(=O)c2cccc(C(F)(F)F)c2)sc2c1CCC2	ZINC000103135716	555305269	/nfs/dbraw/zinc/30/52/69/555305269.db2.gz	GMCFANSNVFHFLD-UHFFFAOYSA-N	0	0	548.561	3.283	50	0		KGAARN
CCOC(=O)C1=C(COC(=O)CCc2nc3cc(C(F)(F)F)ccc3n(Cc3ccccc3)c2=O)NC(=O)N[C@@H]1C	ZINC000103135833	555305420	/nfs/dbraw/zinc/30/54/20/555305420.db2.gz	YNMMSNVJORGPFL-MRXNPFEDSA-N	0	0	572.540	3.458	50	0		KGAARN
CCOC(=O)C1=C(COC(=O)CCc2nc3cc(C(F)(F)F)ccc3n(Cc3ccccc3)c2=O)NC(=O)N[C@H]1C	ZINC000103135835	555305611	/nfs/dbraw/zinc/30/56/11/555305611.db2.gz	YNMMSNVJORGPFL-INIZCTEOSA-N	0	0	572.540	3.458	50	0		KGAARN
COc1ccc(Cl)cc1N1CCN(Cc2cc(=O)[nH]c(N3CCN(C(=O)COc4ccc(Cl)cc4)CC3)n2)CC1	ZINC000103135989	555305864	/nfs/dbraw/zinc/30/58/64/555305864.db2.gz	VDPZYMSGRCCMBK-UHFFFAOYSA-N	0	0	587.508	3.135	50	0		KGAARN
COc1cc(C(=O)O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)ccc1OCc1ccccc1	ZINC000103136141	555306105	/nfs/dbraw/zinc/30/61/05/555306105.db2.gz	KEYRDJMXTHTHOJ-FQEVSTJZSA-N	0	0	554.621	3.479	50	0		KGAARN
COc1cc(C(=O)O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)ccc1OCc1ccccc1	ZINC000103136143	555306080	/nfs/dbraw/zinc/30/60/80/555306080.db2.gz	KEYRDJMXTHTHOJ-HXUWFJFHSA-N	0	0	554.621	3.479	50	0		KGAARN
CN(C)S(=O)(=O)c1ccc(Cl)c(NC(=O)COC(=O)c2cccc(N3C(=O)c4ccccc4C3=O)c2)c1	ZINC000103136202	555306348	/nfs/dbraw/zinc/30/63/48/555306348.db2.gz	NTCAFCMNDFYGBN-UHFFFAOYSA-N	0	0	541.969	3.186	50	0		KGAARN
O=C(COC(=O)c1ccc(Cl)c(S(=O)(=O)NCc2ccccc2)c1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1	ZINC000103136315	555306502	/nfs/dbraw/zinc/30/65/02/555306502.db2.gz	MSAOODUZBNJQRS-UHFFFAOYSA-N	0	0	592.095	3.399	50	0		KGAARN
O=C(COC(=O)c1ccc(Cl)c(S(=O)(=O)NCc2ccccc2)c1)Nc1ccc(N2CCOCC2)cc1	ZINC000103136318	555306593	/nfs/dbraw/zinc/30/65/93/555306593.db2.gz	TVRBKEZQIXEIER-UHFFFAOYSA-N	0	0	544.029	3.451	50	0		KGAARN
O=C(COC(=O)c1ccc(Cl)c(S(=O)(=O)NCc2ccccc2)c1)N1CCN(c2ccccc2)CC1	ZINC000103136364	555306568	/nfs/dbraw/zinc/30/65/68/555306568.db2.gz	CUJAYPRFBZMKHW-UHFFFAOYSA-N	0	0	528.030	3.324	50	0		KGAARN
NC(=O)c1ccsc1NC(=O)COC(=O)c1cc(S(=O)(=O)NCc2ccco2)c(Cl)cc1Cl	ZINC000103136433	555306550	/nfs/dbraw/zinc/30/65/50/555306550.db2.gz	DPPODWMOEUSUOI-UHFFFAOYSA-N	0	0	532.383	3.021	50	0		KGAARN
O=C(CSc1nc(=O)c2c(-c3ccccc3)csc2[nH]1)N1CCN(S(=O)(=O)c2ccccc2)CC1	ZINC000103136648	555306783	/nfs/dbraw/zinc/30/67/83/555306783.db2.gz	QCZFDNKDZXCCQH-UHFFFAOYSA-N	0	0	526.665	3.277	50	0		KGAARN
O=C(COC(=O)C(O)(c1ccccc1)c1ccccc1)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1	ZINC000103137064	555307155	/nfs/dbraw/zinc/30/71/55/555307155.db2.gz	LXGBCPKOBAOLSP-UHFFFAOYSA-N	0	0	544.629	3.152	50	0		KGAARN
CCOC(=O)c1c(CC)c(C)sc1NC(=O)COC(=O)c1ccc(OC)c(S(=O)(=O)N2CCCC2)c1	ZINC000103137325	555307442	/nfs/dbraw/zinc/30/74/42/555307442.db2.gz	GJMLKLOVJSNMGS-UHFFFAOYSA-N	0	0	538.644	3.384	50	0		KGAARN
CCOC(=O)c1c(C)c(C(C)=O)sc1NC(=O)COC(=O)c1ccc(OC)c(S(=O)(=O)N2CCCC2)c1	ZINC000103137329	555307460	/nfs/dbraw/zinc/30/74/60/555307460.db2.gz	KLUZJITYDCMCGX-UHFFFAOYSA-N	0	0	552.627	3.024	50	0		KGAARN
COc1ccc(C(=O)OCC(=O)Nc2sc3c(c2C(N)=O)CCC3)cc1S(=O)(=O)N1CCCc2ccccc21	ZINC000103137356	555307432	/nfs/dbraw/zinc/30/74/32/555307432.db2.gz	QKDXWVPRZFZYHE-UHFFFAOYSA-N	0	0	569.661	3.281	50	0		KGAARN
CCn1nc(C(=O)OCC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)c2ccccc2c1=O	ZINC000103137438	555307593	/nfs/dbraw/zinc/30/75/93/555307593.db2.gz	OKGMSHCDRDPXSL-UHFFFAOYSA-N	0	0	533.006	3.040	50	0		KGAARN
C[C@H](Sc1nnc(-c2cc(-c3cccs3)nc3ccccc32)o1)C(=O)c1c(N)n(C)c(=O)n(C)c1=O	ZINC000103137513	555307648	/nfs/dbraw/zinc/30/76/48/555307648.db2.gz	PLGYFAXMZOQXIF-LBPRGKRZSA-N	0	0	520.596	3.356	50	0		KGAARN
C[C@@H](Sc1nnc(-c2cc(-c3cccs3)nc3ccccc32)o1)C(=O)c1c(N)n(C)c(=O)n(C)c1=O	ZINC000103137514	555307602	/nfs/dbraw/zinc/30/76/02/555307602.db2.gz	PLGYFAXMZOQXIF-GFCCVEGCSA-N	0	0	520.596	3.356	50	0		KGAARN
CCN(CC)S(=O)(=O)c1ccc(OC)c(N2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)c1	ZINC000103137630	555307832	/nfs/dbraw/zinc/30/78/32/555307832.db2.gz	BANXTRUWLOIRCD-UHFFFAOYSA-N	0	0	535.610	3.255	50	0		KGAARN
COc1ccc(S(=O)(=O)NCCc2ccc(F)cc2)cc1N1CCN(C(=O)C(Cl)(Cl)Cl)CC1	ZINC000103137703	555307787	/nfs/dbraw/zinc/30/77/87/555307787.db2.gz	CLFPDSQBXWZPBY-UHFFFAOYSA-N	0	0	538.856	3.374	50	0		KGAARN
CCOC(=O)CCc1c(C)nc2ncnn2c1N1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2Cl)CC1	ZINC000103138733	555308639	/nfs/dbraw/zinc/30/86/39/555308639.db2.gz	QYNAGSAHRDINGX-UHFFFAOYSA-N	0	0	560.986	3.112	50	0		KGAARN
O=S(=O)(c1ccc2c(c1)nc(SCc1cccc(F)c1)n2CCCN1CCOCC1)N1CCOCC1	ZINC000103138858	555308641	/nfs/dbraw/zinc/30/86/41/555308641.db2.gz	DXBGQRQOYVYYEB-UHFFFAOYSA-N	0	0	534.679	3.211	50	0		KGAARN
O=C(CSc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)n1Cc1ccccc1)Nc1ccc2c(c1)OCO2	ZINC000103139037	555308882	/nfs/dbraw/zinc/30/88/82/555308882.db2.gz	IGSINXPBPPECLE-UHFFFAOYSA-N	0	0	593.687	3.474	50	0		KGAARN
Cc1ccc(NC(=O)[C@@H](C)N2C(=O)N[C@](C)(c3ccc(C(C)(C)C)cc3)C2=O)cc1S(=O)(=O)N1CCOCC1	ZINC000103139402	555309328	/nfs/dbraw/zinc/30/93/28/555309328.db2.gz	OFBHUROJEQVHSM-WHLCRQNOSA-N	0	0	556.685	3.108	50	0		KGAARN
Cc1ccc(NC(=O)[C@H](C)N2C(=O)N[C@](C)(c3ccc(C(C)(C)C)cc3)C2=O)cc1S(=O)(=O)N1CCOCC1	ZINC000103139404	555309307	/nfs/dbraw/zinc/30/93/07/555309307.db2.gz	OFBHUROJEQVHSM-HMILPKGGSA-N	0	0	556.685	3.108	50	0		KGAARN
Cc1ccc(NC(=O)[C@@H](C)N2C(=O)N[C@@](C)(c3ccc(C(C)(C)C)cc3)C2=O)cc1S(=O)(=O)N1CCOCC1	ZINC000103139406	555309317	/nfs/dbraw/zinc/30/93/17/555309317.db2.gz	OFBHUROJEQVHSM-GDJIYFAZSA-N	0	0	556.685	3.108	50	0		KGAARN
Cc1ccc(NC(=O)[C@H](C)N2C(=O)N[C@@](C)(c3ccc(C(C)(C)C)cc3)C2=O)cc1S(=O)(=O)N1CCOCC1	ZINC000103139407	555309311	/nfs/dbraw/zinc/30/93/11/555309311.db2.gz	OFBHUROJEQVHSM-VKGTZQKMSA-N	0	0	556.685	3.108	50	0		KGAARN
CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)CN1C(=O)N[C@](C)(c2ccc(OC(F)F)cc2)C1=O	ZINC000103139587	555309528	/nfs/dbraw/zinc/30/95/28/555309528.db2.gz	KMFIOTPYILHHNO-HHHXNRCGSA-N	0	0	562.570	3.328	50	0		KGAARN
CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)CN1C(=O)N[C@@](C)(c2ccc(OC(F)F)cc2)C1=O	ZINC000103139590	555309549	/nfs/dbraw/zinc/30/95/49/555309549.db2.gz	KMFIOTPYILHHNO-MHZLTWQESA-N	0	0	562.570	3.328	50	0		KGAARN
C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)CN3C(=O)N[C@](C)(c4cccc5ccccc54)C3=O)cc2)C[C@H](C)O1	ZINC000103140154	555309754	/nfs/dbraw/zinc/30/97/54/555309754.db2.gz	AQGWCASSUGNQAL-FSQFJQELSA-N	0	0	550.637	3.043	50	0		KGAARN
C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)CN3C(=O)N[C@](C)(c4cccc5ccccc54)C3=O)cc2)C[C@@H](C)O1	ZINC000103140161	555309735	/nfs/dbraw/zinc/30/97/35/555309735.db2.gz	AQGWCASSUGNQAL-BIALHBOASA-N	0	0	550.637	3.043	50	0		KGAARN
CCN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(NC(=O)CN2C(=O)N[C@](C)(c3ccccc3)C2=O)c1	ZINC000103140286	555309995	/nfs/dbraw/zinc/30/99/95/555309995.db2.gz	LZBFIGLTHLLDJX-HHHXNRCGSA-N	0	0	536.610	3.316	50	0		KGAARN
CCN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(NC(=O)CN2C(=O)N[C@@](C)(c3ccccc3)C2=O)c1	ZINC000103140288	555309934	/nfs/dbraw/zinc/30/99/34/555309934.db2.gz	LZBFIGLTHLLDJX-MHZLTWQESA-N	0	0	536.610	3.316	50	0		KGAARN
CCCn1c(N)c(C(=O)COC(=O)c2c3c(nc4ccccc42)C(=Cc2ccc(O)cc2)CC3)c(=O)n(C)c1=O	ZINC000103140798	555310166	/nfs/dbraw/zinc/31/01/66/555310166.db2.gz	QXQCQUQSDDOAEH-SDXDJHTJSA-N	0	0	540.576	3.320	50	0		KGAARN
CN(C(=O)COC(=O)c1c2c(nc3ccccc31)/C(=C\c1ccc(O)cc1)CC2)[C@@H]1CCS(=O)(=O)C1	ZINC000103140799	555310501	/nfs/dbraw/zinc/31/05/01/555310501.db2.gz	YJPAQUKHHBOITJ-GDLUXTLDSA-N	0	0	506.580	3.230	50	0		KGAARN
CN(C(=O)COC(=O)c1c2c(nc3ccccc31)/C(=C\c1ccc(O)cc1)CC2)[C@H]1CCS(=O)(=O)C1	ZINC000103140802	555310470	/nfs/dbraw/zinc/31/04/70/555310470.db2.gz	YJPAQUKHHBOITJ-BSKAQADGSA-N	0	0	506.580	3.230	50	0		KGAARN
Nn1c(Cc2cccc3ccccc32)nnc1SCC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1	ZINC000103141398	555311131	/nfs/dbraw/zinc/31/11/31/555311131.db2.gz	GXRMXIZOAPRAPY-UHFFFAOYSA-N	0	0	573.100	3.141	50	0		KGAARN
CCOC(=O)[C@@H]1CCCN(C(=O)c2nn(-c3ccccc3F)c(=O)n(Cc3ccc(C(F)(F)F)cc3)c2=O)C1	ZINC000103141603	555311331	/nfs/dbraw/zinc/31/13/31/555311331.db2.gz	CRYZHTGAZJUJRN-QGZVFWFLSA-N	0	0	548.493	3.016	50	0		KGAARN
CCOC(=O)[C@H]1CCCN(C(=O)c2nn(-c3ccccc3F)c(=O)n(Cc3ccc(C(F)(F)F)cc3)c2=O)C1	ZINC000103141605	555311430	/nfs/dbraw/zinc/31/14/30/555311430.db2.gz	CRYZHTGAZJUJRN-KRWDZBQOSA-N	0	0	548.493	3.016	50	0		KGAARN
COCCn1c(=O)c2c(nc1S[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)N3CCOCC3)cc1)sc1c2CCCC1	ZINC000103141677	555311402	/nfs/dbraw/zinc/31/14/02/555311402.db2.gz	WNRFZSCWTIQNAQ-KRWDZBQOSA-N	0	0	592.765	3.123	50	0		KGAARN
COCCn1c(=O)c2c(nc1S[C@H](C)C(=O)Nc1ccc(S(=O)(=O)N3CCOCC3)cc1)sc1c2CCCC1	ZINC000103141680	555311421	/nfs/dbraw/zinc/31/14/21/555311421.db2.gz	WNRFZSCWTIQNAQ-QGZVFWFLSA-N	0	0	592.765	3.123	50	0		KGAARN
O=C(CN1C(=O)N[C@]2(CCCc3ccccc32)C1=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl	ZINC000103142020	555311483	/nfs/dbraw/zinc/31/14/83/555311483.db2.gz	CPJZWTFECIZIGC-VWLOTQADSA-N	0	0	531.034	3.237	50	0		KGAARN
O=C(CN1C(=O)N[C@@]2(CCCc3ccccc32)C1=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl	ZINC000103142022	555311569	/nfs/dbraw/zinc/31/15/69/555311569.db2.gz	CPJZWTFECIZIGC-RUZDIDTESA-N	0	0	531.034	3.237	50	0		KGAARN
COc1ccc(CCN(Cc2ccc(C)o2)C(=O)CN(CCN2CCOCC2)C(=O)c2ccco2)cc1OC	ZINC000103142496	555311790	/nfs/dbraw/zinc/31/17/90/555311790.db2.gz	KFOPPTCMDNQSAU-UHFFFAOYSA-N	0	0	539.629	3.244	50	0		KGAARN
COc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1N1CCN(S(=O)(=O)c2c(C)c(C)c(C)c(C)c2C)CC1	ZINC000103142661	555311816	/nfs/dbraw/zinc/31/18/16/555311816.db2.gz	JCZRFJZJELNFEH-QHCPKHFHSA-N	0	0	565.758	3.206	50	0		KGAARN
COc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1N1CCN(S(=O)(=O)c2c(C)c(C)c(C)c(C)c2C)CC1	ZINC000103142664	555311760	/nfs/dbraw/zinc/31/17/60/555311760.db2.gz	JCZRFJZJELNFEH-HSZRJFAPSA-N	0	0	565.758	3.206	50	0		KGAARN
CCN(CC)S(=O)(=O)c1ccc(OC)c(N2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)c1	ZINC000103142828	555311711	/nfs/dbraw/zinc/31/17/11/555311711.db2.gz	SHMDVDLCSHHMOY-UHFFFAOYSA-N	0	0	535.610	3.255	50	0		KGAARN
COc1ccc(CCNC(=O)[C@@H]2COC3(CCN(C(=O)c4ccco4)CC3)N2C(=O)c2ccccc2)cc1OC	ZINC000103143362	555311943	/nfs/dbraw/zinc/31/19/43/555311943.db2.gz	XLWRIJVTOMWBEL-QHCPKHFHSA-N	0	0	547.608	3.129	50	0		KGAARN
COc1ccc(CCNC(=O)[C@H]2COC3(CCN(C(=O)c4ccco4)CC3)N2C(=O)c2ccccc2)cc1OC	ZINC000103143365	555311999	/nfs/dbraw/zinc/31/19/99/555311999.db2.gz	XLWRIJVTOMWBEL-HSZRJFAPSA-N	0	0	547.608	3.129	50	0		KGAARN
CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)Oc1ccc(CN(C[C@@H]2CCCO2)C(=O)NC(C)(C)C)cc1	ZINC000103143930	555311929	/nfs/dbraw/zinc/31/19/29/555311929.db2.gz	XGPVZLITKZNQGK-NRFANRHFSA-N	0	0	553.703	3.194	50	0		KGAARN
CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)Oc1ccc(CN(C[C@H]2CCCO2)C(=O)NC(C)(C)C)cc1	ZINC000103143932	555311960	/nfs/dbraw/zinc/31/19/60/555311960.db2.gz	XGPVZLITKZNQGK-OAQYLSRUSA-N	0	0	553.703	3.194	50	0		KGAARN
CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)Oc1ccc(CN(C[C@@H]2CCCO2)C(=O)C2CCC2)cc1	ZINC000103143934	555311971	/nfs/dbraw/zinc/31/19/71/555311971.db2.gz	BULZJFHTZOFBJL-QFIPXVFZSA-N	0	0	536.672	3.012	50	0		KGAARN
CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)Oc1ccc(CN(C[C@H]2CCCO2)C(=O)C2CCC2)cc1	ZINC000103143937	555312275	/nfs/dbraw/zinc/31/22/75/555312275.db2.gz	BULZJFHTZOFBJL-JOCHJYFZSA-N	0	0	536.672	3.012	50	0		KGAARN
CC(C)CC(=O)N(Cc1ccc(OS(=O)(=O)c2ccccc2S(=O)(=O)N(C)C)cc1)C[C@@H]1CCCO1	ZINC000103143981	555312283	/nfs/dbraw/zinc/31/22/83/555312283.db2.gz	AFUKGARPRFETIP-QFIPXVFZSA-N	0	0	538.688	3.258	50	0		KGAARN
CC(C)CC(=O)N(Cc1ccc(OS(=O)(=O)c2ccccc2S(=O)(=O)N(C)C)cc1)C[C@H]1CCCO1	ZINC000103143982	555312248	/nfs/dbraw/zinc/31/22/48/555312248.db2.gz	AFUKGARPRFETIP-JOCHJYFZSA-N	0	0	538.688	3.258	50	0		KGAARN
CCN(CC)C(=O)[C@H](NC(=O)c1ccc2c(c1)OCO2)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1	ZINC000103144724	555312637	/nfs/dbraw/zinc/31/26/37/555312637.db2.gz	RMIXWNSSFFGGBH-HSZRJFAPSA-N	0	0	536.050	3.136	50	0		KGAARN
CCN(CC)C(=O)[C@@H](NC(=O)c1ccc2c(c1)OCO2)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1	ZINC000103144726	555312704	/nfs/dbraw/zinc/31/27/04/555312704.db2.gz	RMIXWNSSFFGGBH-QHCPKHFHSA-N	0	0	536.050	3.136	50	0		KGAARN
CCCN(CC(=O)N(Cc1ccccc1C)C1CCN(C(=O)c2ccc3c(c2)OCO3)CC1)S(=O)(=O)CC	ZINC000103145397	555312928	/nfs/dbraw/zinc/31/29/28/555312928.db2.gz	RHBAIRJKMZBTSS-UHFFFAOYSA-N	0	0	543.686	3.419	50	0		KGAARN
CCCN(CC(=O)N(Cc1ccccc1C)C1CCN(S(=O)(=O)Cc2ccccc2)CC1)S(=O)(=O)CC	ZINC000103145407	555312919	/nfs/dbraw/zinc/31/29/19/555312919.db2.gz	UPIQUXMGJTZQBR-UHFFFAOYSA-N	0	0	549.759	3.380	50	0		KGAARN
O=S(=O)(c1ccc2c(c1)nc(SCc1cc(F)cc(F)c1F)n2CCCN1CCOCC1)N1CCOCC1	ZINC000103145588	555313359	/nfs/dbraw/zinc/31/33/59/555313359.db2.gz	LKBWBRILBMQNPZ-UHFFFAOYSA-N	0	0	570.659	3.489	50	0		KGAARN
COc1ccc(N(C)S(=O)(=O)c2ccc(OC)c(N3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)c2)cc1	ZINC000103145902	555313629	/nfs/dbraw/zinc/31/36/29/555313629.db2.gz	OSXKHUKBRLMKLC-UHFFFAOYSA-N	0	0	549.646	3.179	50	0		KGAARN
CCOC(=O)C1CCN(C(=O)[C@@H]2COC3(CCN(C(=O)Cc4cccs4)CC3)N2C(=O)c2ccccc2C)CC1	ZINC000103147779	555314263	/nfs/dbraw/zinc/31/42/63/555314263.db2.gz	WZGAQAFXOOCMJX-VWLOTQADSA-N	0	0	567.708	3.261	50	0		KGAARN
CCOC(=O)C1CCN(C(=O)[C@H]2COC3(CCN(C(=O)Cc4cccs4)CC3)N2C(=O)c2ccccc2C)CC1	ZINC000103147783	555314249	/nfs/dbraw/zinc/31/42/49/555314249.db2.gz	WZGAQAFXOOCMJX-RUZDIDTESA-N	0	0	567.708	3.261	50	0		KGAARN
CCOC(=O)[C@@H]1CCCN(C(=O)[C@@H]2COC3(CCN(C(=O)c4ccc(F)cc4)CC3)N2C(=O)c2ccccc2)C1	ZINC000103147834	555314215	/nfs/dbraw/zinc/31/42/15/555314215.db2.gz	KVSPOCPRQQCEOC-NOZRDPDXSA-N	0	0	551.615	3.101	50	0		KGAARN
CCOC(=O)[C@H]1CCCN(C(=O)[C@@H]2COC3(CCN(C(=O)c4ccc(F)cc4)CC3)N2C(=O)c2ccccc2)C1	ZINC000103147836	555314521	/nfs/dbraw/zinc/31/45/21/555314521.db2.gz	KVSPOCPRQQCEOC-ZCYQVOJMSA-N	0	0	551.615	3.101	50	0		KGAARN
CCOC(=O)[C@@H]1CCCN(C(=O)[C@H]2COC3(CCN(C(=O)c4ccc(F)cc4)CC3)N2C(=O)c2ccccc2)C1	ZINC000103147838	555314503	/nfs/dbraw/zinc/31/45/03/555314503.db2.gz	KVSPOCPRQQCEOC-ILBGXUMGSA-N	0	0	551.615	3.101	50	0		KGAARN
CCOC(=O)[C@H]1CCCN(C(=O)[C@H]2COC3(CCN(C(=O)c4ccc(F)cc4)CC3)N2C(=O)c2ccccc2)C1	ZINC000103147842	555314492	/nfs/dbraw/zinc/31/44/92/555314492.db2.gz	KVSPOCPRQQCEOC-UKILVPOCSA-N	0	0	551.615	3.101	50	0		KGAARN
COc1ccc(C(=O)N2CCC3(CC2)OC[C@@H](C(=O)NCc2ccc4c(c2)OCO4)N3C(=O)c2ccccc2)cc1	ZINC000103147855	555314536	/nfs/dbraw/zinc/31/45/36/555314536.db2.gz	GOZOXMZQRCESSZ-VWLOTQADSA-N	0	0	557.603	3.214	50	0		KGAARN
COc1ccc(C(=O)N2CCC3(CC2)OC[C@H](C(=O)NCc2ccc4c(c2)OCO4)N3C(=O)c2ccccc2)cc1	ZINC000103147857	555314467	/nfs/dbraw/zinc/31/44/67/555314467.db2.gz	GOZOXMZQRCESSZ-RUZDIDTESA-N	0	0	557.603	3.214	50	0		KGAARN
CCOC(=O)[C@@H]1CCCN(C(=O)[C@@H]2COC3(CCN(C(=O)c4cccs4)CC3)N2C(=O)c2ccccc2)C1	ZINC000103147869	555314470	/nfs/dbraw/zinc/31/44/70/555314470.db2.gz	NOOOTTVQLWLMFH-YADHBBJMSA-N	0	0	539.654	3.023	50	0		KGAARN
CCOC(=O)[C@H]1CCCN(C(=O)[C@@H]2COC3(CCN(C(=O)c4cccs4)CC3)N2C(=O)c2ccccc2)C1	ZINC000103147870	555314544	/nfs/dbraw/zinc/31/45/44/555314544.db2.gz	NOOOTTVQLWLMFH-VXKWHMMOSA-N	0	0	539.654	3.023	50	0		KGAARN
CCOC(=O)[C@@H]1CCCN(C(=O)[C@H]2COC3(CCN(C(=O)c4cccs4)CC3)N2C(=O)c2ccccc2)C1	ZINC000103147872	555314452	/nfs/dbraw/zinc/31/44/52/555314452.db2.gz	NOOOTTVQLWLMFH-FGZHOGPDSA-N	0	0	539.654	3.023	50	0		KGAARN
CCOC(=O)[C@H]1CCCN(C(=O)[C@H]2COC3(CCN(C(=O)c4cccs4)CC3)N2C(=O)c2ccccc2)C1	ZINC000103147874	555314509	/nfs/dbraw/zinc/31/45/09/555314509.db2.gz	NOOOTTVQLWLMFH-FCHUYYIVSA-N	0	0	539.654	3.023	50	0		KGAARN
CCOC(=O)C1CCN(C(=O)[C@@H]2COC3(CCN(C(=O)CC(C)(C)C)CC3)N2C(=O)c2ccc(OC)cc2)CC1	ZINC000103147911	555314490	/nfs/dbraw/zinc/31/44/90/555314490.db2.gz	BUIZTEHTKSXTNE-DEOSSOPVSA-N	0	0	557.688	3.093	50	0		KGAARN
CCOC(=O)C1CCN(C(=O)[C@H]2COC3(CCN(C(=O)CC(C)(C)C)CC3)N2C(=O)c2ccc(OC)cc2)CC1	ZINC000103147914	555314506	/nfs/dbraw/zinc/31/45/06/555314506.db2.gz	BUIZTEHTKSXTNE-XMMPIXPASA-N	0	0	557.688	3.093	50	0		KGAARN
CCOC(=O)C1CCN(C(=O)[C@@H]2COC3(CCN(C(=O)c4cccc(OC)c4)CC3)N2C(=O)c2cccc(C)c2)CC1	ZINC000103148007	555314725	/nfs/dbraw/zinc/31/47/25/555314725.db2.gz	VFHVTBDUKRLNRY-MHZLTWQESA-N	0	0	577.678	3.279	50	0		KGAARN
CCOC(=O)C1CCN(C(=O)[C@H]2COC3(CCN(C(=O)c4cccc(OC)c4)CC3)N2C(=O)c2cccc(C)c2)CC1	ZINC000103148009	555314685	/nfs/dbraw/zinc/31/46/85/555314685.db2.gz	VFHVTBDUKRLNRY-HHHXNRCGSA-N	0	0	577.678	3.279	50	0		KGAARN
COc1cccc(C(=O)N2[C@H](C(=O)N3CCOCC3)COC23CCN(C(=O)c2ccc(Cl)c(Cl)c2)CC3)c1	ZINC000103148078	555314709	/nfs/dbraw/zinc/31/47/09/555314709.db2.gz	YFBVUFNKXZTBCR-QHCPKHFHSA-N	0	0	562.450	3.334	50	0		KGAARN
COc1cccc(C(=O)N2[C@@H](C(=O)N3CCOCC3)COC23CCN(C(=O)c2ccc(Cl)c(Cl)c2)CC3)c1	ZINC000103148082	555314678	/nfs/dbraw/zinc/31/46/78/555314678.db2.gz	YFBVUFNKXZTBCR-HSZRJFAPSA-N	0	0	562.450	3.334	50	0		KGAARN
COc1ccc(S(=O)(=O)N2CCc3cc(OC)c(OC)cc3C2)cc1N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1	ZINC000103148924	555315316	/nfs/dbraw/zinc/31/53/16/555315316.db2.gz	JSENJOSGYJTHLR-UHFFFAOYSA-N	0	0	623.700	3.249	50	0		KGAARN
COc1ccc(CCNC(=O)N2CCN(c3ncccc3C(=O)NCCc3ccc(OC)c(OC)c3)CC2)cc1	ZINC000103148942	555315312	/nfs/dbraw/zinc/31/53/12/555315312.db2.gz	BRBCITLSENUPPA-UHFFFAOYSA-N	0	0	547.656	3.154	50	0		KGAARN
COc1ccc(S(=O)(=O)NCCc2ccc(F)cc2)cc1N1CCN(C(=O)c2cc(OC)c(OC)c(OC)c2)CC1	ZINC000103148968	555315289	/nfs/dbraw/zinc/31/52/89/555315289.db2.gz	UEUUGQSDIHNZBZ-UHFFFAOYSA-N	0	0	587.670	3.344	50	0		KGAARN
COc1cccc(CSc2nc3cc(S(=O)(=O)N4CCOCC4)ccc3n2CCCN2CCOCC2)c1	ZINC000103149504	555315844	/nfs/dbraw/zinc/31/58/44/555315844.db2.gz	ABHJKBSEKSLULF-UHFFFAOYSA-N	0	0	546.715	3.080	50	0		KGAARN
O=S(=O)(c1ccc2c(c1)nc(SCc1cc(F)c(F)cc1F)n2CCCN1CCOCC1)N1CCOCC1	ZINC000103149526	555315880	/nfs/dbraw/zinc/31/58/80/555315880.db2.gz	HJRQKYXGSAYNDO-UHFFFAOYSA-N	0	0	570.659	3.489	50	0		KGAARN
O=S(=O)(c1ccc2c(c1)nc(SCc1c(F)cc(F)cc1F)n2CCCN1CCOCC1)N1CCOCC1	ZINC000103149610	555315790	/nfs/dbraw/zinc/31/57/90/555315790.db2.gz	VQHUPXZXSQEXGE-UHFFFAOYSA-N	0	0	570.659	3.489	50	0		KGAARN
COCCn1c(CN(CC2CC2)S(=O)(=O)c2ccc(OC)cc2)cnc1S(=O)(=O)Cc1ccccc1	ZINC000103150161	555315986	/nfs/dbraw/zinc/31/59/86/555315986.db2.gz	GGPWOKMKEOSASE-UHFFFAOYSA-N	0	0	533.672	3.113	50	0		KGAARN
COc1ccc(N(C)S(=O)(=O)c2ccc(OC)c(N3CCN(S(=O)(=O)c4ccc(OC)cc4)CC3)c2)cc1	ZINC000103151710	555317297	/nfs/dbraw/zinc/31/72/97/555317297.db2.gz	YHTQVHAEXBXDKR-UHFFFAOYSA-N	0	0	561.682	3.048	50	0		KGAARN
COCCn1c(CN(CC(C)C)S(=O)(=O)c2ccccc2)cnc1S(=O)(=O)Cc1cccc(OC)c1	ZINC000103156177	555319660	/nfs/dbraw/zinc/31/96/60/555319660.db2.gz	WVOAAFFTMPNVCP-UHFFFAOYSA-N	0	0	535.688	3.359	50	0		KGAARN
COCCn1c(CN(CC(C)C)S(=O)(=O)c2ccc(OC)cc2)cnc1S(=O)(=O)Cc1cccc(OC)c1	ZINC000103156204	555319676	/nfs/dbraw/zinc/31/96/76/555319676.db2.gz	HLGNVJILQYNITF-UHFFFAOYSA-N	0	0	565.714	3.368	50	0		KGAARN
COC(=O)CCCC(=O)N1CCN(c2cc(S(=O)(=O)N3CCC(Cc4ccccc4)CC3)ccc2OC)CC1	ZINC000103159721	555320370	/nfs/dbraw/zinc/32/03/70/555320370.db2.gz	PZAJASCFKXXFSF-UHFFFAOYSA-N	0	0	557.713	3.331	50	0		KGAARN
CCOC(=O)[C@@H]1CCCN(C(=O)c2nn(-c3ccc(C)cc3)c(=O)n(Cc3ccc(C(F)(F)F)cc3)c2=O)C1	ZINC000103160177	555320702	/nfs/dbraw/zinc/32/07/02/555320702.db2.gz	CZSCPDNKFMLIFU-LJQANCHMSA-N	0	0	544.530	3.185	50	0		KGAARN
CCOC(=O)[C@H]1CCCN(C(=O)c2nn(-c3ccc(C)cc3)c(=O)n(Cc3ccc(C(F)(F)F)cc3)c2=O)C1	ZINC000103160180	555320739	/nfs/dbraw/zinc/32/07/39/555320739.db2.gz	CZSCPDNKFMLIFU-IBGZPJMESA-N	0	0	544.530	3.185	50	0		KGAARN
CCOC(=O)[C@@H]1CCCN(C(=O)c2nn(-c3ccc(C(F)(F)F)cc3)c(=O)n(Cc3ccc(F)cc3)c2=O)C1	ZINC000103160218	555320706	/nfs/dbraw/zinc/32/07/06/555320706.db2.gz	NCLLHJSKRGFWHX-QGZVFWFLSA-N	0	0	548.493	3.016	50	0		KGAARN
CCOC(=O)[C@H]1CCCN(C(=O)c2nn(-c3ccc(C(F)(F)F)cc3)c(=O)n(Cc3ccc(F)cc3)c2=O)C1	ZINC000103160221	555320717	/nfs/dbraw/zinc/32/07/17/555320717.db2.gz	NCLLHJSKRGFWHX-KRWDZBQOSA-N	0	0	548.493	3.016	50	0		KGAARN
CCOC(=O)C1CCN(C(=O)c2nn(-c3ccc(C)c(C)c3)c(=O)n(Cc3ccc(C(F)(F)F)cc3)c2=O)CC1	ZINC000103160537	555320715	/nfs/dbraw/zinc/32/07/15/555320715.db2.gz	DLFRFVJNBRGTPV-UHFFFAOYSA-N	0	0	558.557	3.493	50	0		KGAARN
O=C(c1ccco1)N1CCC2(CC1)OC[C@@H](C(=O)N1CCN(c3ccccc3F)CC1)N2C(=O)c1ccccc1	ZINC000103165256	555322308	/nfs/dbraw/zinc/32/23/08/555322308.db2.gz	RNBXHCXSKSTFBV-VWLOTQADSA-N	0	0	546.599	3.241	50	0		KGAARN
O=C(c1ccco1)N1CCC2(CC1)OC[C@H](C(=O)N1CCN(c3ccccc3F)CC1)N2C(=O)c1ccccc1	ZINC000103165259	555322317	/nfs/dbraw/zinc/32/23/17/555322317.db2.gz	RNBXHCXSKSTFBV-RUZDIDTESA-N	0	0	546.599	3.241	50	0		KGAARN
CCOC(=O)[C@@H]1CCCN(C(=O)c2nn(-c3ccc(Cl)cc3)c(=O)n(Cc3cccc(Cl)c3)c2=O)C1	ZINC000103166027	555322600	/nfs/dbraw/zinc/32/26/00/555322600.db2.gz	OJNLIXGMFUVYHX-QGZVFWFLSA-N	0	0	531.396	3.165	50	0		KGAARN
CCOC(=O)[C@H]1CCCN(C(=O)c2nn(-c3ccc(Cl)cc3)c(=O)n(Cc3cccc(Cl)c3)c2=O)C1	ZINC000103166032	555322627	/nfs/dbraw/zinc/32/26/27/555322627.db2.gz	OJNLIXGMFUVYHX-KRWDZBQOSA-N	0	0	531.396	3.165	50	0		KGAARN
CCCS(=O)(=O)N(CCOC)CC(=O)N(Cc1ccc(Cl)cc1)C1CCN(C(=O)COc2ccccc2)CC1	ZINC000103166380	555322932	/nfs/dbraw/zinc/32/29/32/555322932.db2.gz	CXVXQIINPICCMM-UHFFFAOYSA-N	0	0	580.147	3.427	50	0		KGAARN
COc1ccc(C2=NN(C(=O)CN(CCN3CCOCC3)C(=O)c3ccco3)[C@H](c3ccc4c(c3)OCO4)C2)cc1	ZINC000103166568	555322895	/nfs/dbraw/zinc/32/28/95/555322895.db2.gz	CLMROTWDINIKGI-VWLOTQADSA-N	0	0	560.607	3.169	50	0		KGAARN
COc1ccc(C2=NN(C(=O)CN(CCN3CCOCC3)C(=O)c3ccco3)[C@@H](c3ccc4c(c3)OCO4)C2)cc1	ZINC000103166572	555323033	/nfs/dbraw/zinc/32/30/33/555323033.db2.gz	CLMROTWDINIKGI-RUZDIDTESA-N	0	0	560.607	3.169	50	0		KGAARN
COc1ccc(C2=NN(C(=O)CN(CCN3CCOCC3)C(=O)NC(C)(C)C)[C@H](c3ccc4c(c3)OCO4)C2)cc1	ZINC000103166725	555323320	/nfs/dbraw/zinc/32/33/20/555323320.db2.gz	YRAMUCIGMHJOOP-VWLOTQADSA-N	0	0	565.671	3.244	50	0		KGAARN
COc1ccc(C2=NN(C(=O)CN(CCN3CCOCC3)C(=O)NC(C)(C)C)[C@@H](c3ccc4c(c3)OCO4)C2)cc1	ZINC000103166728	555323377	/nfs/dbraw/zinc/32/33/77/555323377.db2.gz	YRAMUCIGMHJOOP-RUZDIDTESA-N	0	0	565.671	3.244	50	0		KGAARN
COc1ccc(N(C)S(=O)(=O)c2ccc(OC)c(N3CCN(S(=O)(=O)c4ccccc4F)CC3)c2)cc1	ZINC000103167310	555323550	/nfs/dbraw/zinc/32/35/50/555323550.db2.gz	NCTRNQOZTSKIEZ-UHFFFAOYSA-N	0	0	549.646	3.179	50	0		KGAARN
CCOC(=O)N1CCN(C(=O)Cc2csc3nc(C)c(-c4cc(C)n(-c5ccc(F)cc5)n4)c(=O)n23)CC1	ZINC000103170854	555325003	/nfs/dbraw/zinc/32/50/03/555325003.db2.gz	YUACJFLYFOOBLY-UHFFFAOYSA-N	0	0	538.605	3.208	50	0		KGAARN
CCOC(=O)C1CCN(C(=O)CCN2CC3=C(C2=O)[C@H](c2ccccc2C(F)(F)F)NC(=O)N3CC)CC1	ZINC000103172941	555326067	/nfs/dbraw/zinc/32/60/67/555326067.db2.gz	IFMKNCOWRRUVGO-QFIPXVFZSA-N	0	0	536.551	3.080	50	0		KGAARN
CCOC(=O)C1CCN(C(=O)CCN2CC3=C(C2=O)[C@@H](c2ccccc2C(F)(F)F)NC(=O)N3CC)CC1	ZINC000103172944	555326062	/nfs/dbraw/zinc/32/60/62/555326062.db2.gz	IFMKNCOWRRUVGO-JOCHJYFZSA-N	0	0	536.551	3.080	50	0		KGAARN
COc1ccccc1N1CCN(c2ccc(NS(C)(=O)=O)cc2S(=O)(=O)N[C@@H](C)c2ccccc2)CC1	ZINC000103174568	555326764	/nfs/dbraw/zinc/32/67/64/555326764.db2.gz	VODQKMCIHGOJBX-FQEVSTJZSA-N	0	0	544.699	3.433	50	0		KGAARN
COc1ccccc1N1CCN(c2ccc(NS(C)(=O)=O)cc2S(=O)(=O)N[C@H](C)c2ccccc2)CC1	ZINC000103174572	555326753	/nfs/dbraw/zinc/32/67/53/555326753.db2.gz	VODQKMCIHGOJBX-HXUWFJFHSA-N	0	0	544.699	3.433	50	0		KGAARN
CCCCc1ccc(S(=O)(=O)N2CCN(c3cc(S(=O)(=O)NC[C@@H]4CCCO4)ccc3OC)CC2)cc1	ZINC000103174980	555326765	/nfs/dbraw/zinc/32/67/65/555326765.db2.gz	XORASEVIYWRISJ-QFIPXVFZSA-N	0	0	551.731	3.006	50	0		KGAARN
CCCCc1ccc(S(=O)(=O)N2CCN(c3cc(S(=O)(=O)NC[C@H]4CCCO4)ccc3OC)CC2)cc1	ZINC000103174983	555326758	/nfs/dbraw/zinc/32/67/58/555326758.db2.gz	XORASEVIYWRISJ-JOCHJYFZSA-N	0	0	551.731	3.006	50	0		KGAARN
COc1ccc(S(=O)(=O)N2CCN(c3cc(S(=O)(=O)N(C)CCc4ccc(OC)c(OC)c4)ccc3OC)CC2)cc1	ZINC000103175715	555326909	/nfs/dbraw/zinc/32/69/09/555326909.db2.gz	ZXCMFIFLCJBJBK-UHFFFAOYSA-N	0	0	619.762	3.095	50	0		KGAARN
COc1ccc(S(=O)(=O)NCCc2ccc(F)cc2)cc1N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1	ZINC000103175729	555326902	/nfs/dbraw/zinc/32/69/02/555326902.db2.gz	UMOAHHOQNIINPC-UHFFFAOYSA-N	0	0	551.637	3.005	50	0		KGAARN
COc1ccc(OC)c(S(=O)(=O)N2CCN(c3cc(S(=O)(=O)N(C)CCc4ccccc4)ccc3OC)CC2)c1	ZINC000103175759	555326990	/nfs/dbraw/zinc/32/69/90/555326990.db2.gz	HMGKSASFDDLSMP-UHFFFAOYSA-N	0	0	589.736	3.087	50	0		KGAARN
COc1ccc(S(=O)(=O)N2CCc3cc(OC)c(OC)cc3C2)cc1N1CCN(C(=O)C(F)(F)C(F)F)CC1	ZINC000103175776	555327156	/nfs/dbraw/zinc/32/71/56/555327156.db2.gz	ZYDBNWJWBABSHM-UHFFFAOYSA-N	0	0	575.581	3.008	50	0		KGAARN
COc1ccc(S(=O)(=O)NCCc2ccc(F)cc2)cc1N1CCN(S(=O)(=O)c2ccccc2C)CC1	ZINC000103175807	555327192	/nfs/dbraw/zinc/32/71/92/555327192.db2.gz	DUHBYJKVZFSZQG-UHFFFAOYSA-N	0	0	547.674	3.175	50	0		KGAARN
COc1ccc(S(=O)(=O)N(C)CCc2ccccc2)cc1N1CCN(S(=O)(=O)c2ccccc2C)CC1	ZINC000103181154	555328890	/nfs/dbraw/zinc/32/88/90/555328890.db2.gz	KNJBIHQFGIMPLW-UHFFFAOYSA-N	0	0	543.711	3.378	50	0		KGAARN
CCOC(=O)CCC(=O)Nc1ccc(N2CCN(CC)CC2)c(S(=O)(=O)N[C@@H]2CCCc3ccccc32)c1	ZINC000103188712	555332519	/nfs/dbraw/zinc/33/25/19/555332519.db2.gz	OMGHHCPUYNEGNP-XMMPIXPASA-N	0	0	542.702	3.466	50	0		KGAARN
CCOC(=O)CCC(=O)Nc1ccc(N2CCN(CC)CC2)c(S(=O)(=O)N[C@H]2CCCc3ccccc32)c1	ZINC000103188717	555332599	/nfs/dbraw/zinc/33/25/99/555332599.db2.gz	OMGHHCPUYNEGNP-DEOSSOPVSA-N	0	0	542.702	3.466	50	0		KGAARN
CCS(=O)(=O)Nc1ccc(N2CCN(c3ccccc3F)CC2)c(S(=O)(=O)NCc2ccc3c(c2)OCO3)c1	ZINC000103189319	555332733	/nfs/dbraw/zinc/33/27/33/555332733.db2.gz	UUGWBBTYCHDYIL-UHFFFAOYSA-N	0	0	576.672	3.121	50	0		KGAARN
COc1cccc(-c2ccc(N3CCN(C(=O)CN(CC(C)C)S(=O)(=O)c4ccc(C)cc4)CC3)nn2)c1	ZINC000103190281	555333181	/nfs/dbraw/zinc/33/31/81/555333181.db2.gz	YIYZMBDYPLDNBX-UHFFFAOYSA-N	0	0	537.686	3.456	50	0		KGAARN
COc1ccc(S(=O)(=O)N(CC(=O)N2CCN(c3ccc(-c4cccc(OC)c4)nn3)CC2)Cc2ccco2)cc1	ZINC000103190331	555333229	/nfs/dbraw/zinc/33/32/29/555333229.db2.gz	SDAGOELJOJPCOV-UHFFFAOYSA-N	0	0	577.663	3.294	50	0		KGAARN
COc1ccc(S(=O)(=O)N2CCc3cc(OC)c(OC)cc3C2)cc1N1CCN(S(=O)(=O)c2ccccc2C)CC1	ZINC000103196160	555334894	/nfs/dbraw/zinc/33/48/94/555334894.db2.gz	DWRRYCWNYKNIJV-UHFFFAOYSA-N	0	0	601.747	3.279	50	0		KGAARN
COc1ccc(S(=O)(=O)N2CCN(c3cc(S(=O)(=O)N(C)CCc4ccccc4)ccc3OC)CC2)cc1	ZINC000103197012	555335206	/nfs/dbraw/zinc/33/52/06/555335206.db2.gz	RMMUHYUTSFKRFY-UHFFFAOYSA-N	0	0	559.710	3.078	50	0		KGAARN
COc1ccc(S(=O)(=O)N2CCC[C@@H](C)C2)cc1N1CCN(C(=O)c2cc(OC)c(OC)c(OC)c2)CC1	ZINC000103197161	555335460	/nfs/dbraw/zinc/33/54/60/555335460.db2.gz	ZGSJOHXOEOVGOD-LJQANCHMSA-N	0	0	547.674	3.104	50	0		KGAARN
COc1ccc(S(=O)(=O)N2CCC[C@H](C)C2)cc1N1CCN(C(=O)c2cc(OC)c(OC)c(OC)c2)CC1	ZINC000103197164	555335463	/nfs/dbraw/zinc/33/54/63/555335463.db2.gz	ZGSJOHXOEOVGOD-IBGZPJMESA-N	0	0	547.674	3.104	50	0		KGAARN
C[C@@H]1CN(c2cc(Cl)nc(SCC(=O)NCc3ccc4c(c3)OCO4)n2)CCN1C(=O)NC(C)(C)C	ZINC000103197622	555335477	/nfs/dbraw/zinc/33/54/77/555335477.db2.gz	YSQBYDACHFJTOY-OAHLLOKOSA-N	0	0	535.070	3.286	50	0		KGAARN
C[C@H]1CN(c2cc(Cl)nc(SCC(=O)NCc3ccc4c(c3)OCO4)n2)CCN1C(=O)NC(C)(C)C	ZINC000103197625	555335702	/nfs/dbraw/zinc/33/57/02/555335702.db2.gz	YSQBYDACHFJTOY-HNNXBMFYSA-N	0	0	535.070	3.286	50	0		KGAARN
COc1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1N1CCN(S(=O)(=O)c2ccccc2C)CC1	ZINC000103198498	555335779	/nfs/dbraw/zinc/33/57/79/555335779.db2.gz	MRSQABKKPSDOTO-UHFFFAOYSA-N	0	0	541.695	3.262	50	0		KGAARN
CCCN(CC(=O)N1CCN(c2ccc(-c3ccc(OC)c(OC)c3)nn2)CC1)C(=O)c1ccc2c(c1)OCO2	ZINC000103199452	555336369	/nfs/dbraw/zinc/33/63/69/555336369.db2.gz	AUXMTZKFLHNTNO-UHFFFAOYSA-N	0	0	547.612	3.091	50	0		KGAARN
COc1ccc(-c2ccc(N3CCN(C(=O)CN(CC(C)C)S(=O)(=O)c4ccc(C)cc4)CC3)nn2)c(OC)c1	ZINC000103200138	555337195	/nfs/dbraw/zinc/33/71/95/555337195.db2.gz	IBQCSIKWMUCNJT-UHFFFAOYSA-N	0	0	567.712	3.465	50	0		KGAARN
COc1ccc(S(=O)(=O)N(C)CCc2ccccc2)cc1N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1	ZINC000103200333	555337243	/nfs/dbraw/zinc/33/72/43/555337243.db2.gz	XFXPLMXERBEPFM-UHFFFAOYSA-N	0	0	543.711	3.378	50	0		KGAARN
COc1ccc(-c2ccc(N3CCN(C(=O)CN(CC4CC4)S(=O)(=O)c4ccc(C)cc4)CC3)nn2)c(OC)c1	ZINC000103200734	555337235	/nfs/dbraw/zinc/33/72/35/555337235.db2.gz	GMIJIJYBCRXDJK-UHFFFAOYSA-N	0	0	565.696	3.219	50	0		KGAARN
CCOC(=O)CCc1c(C)nc2ncnn2c1N1CCN(S(=O)(=O)c2cc(C)c(Cl)cc2Cl)CC1	ZINC000103204290	555338575	/nfs/dbraw/zinc/33/85/75/555338575.db2.gz	PGFPNTDPOQJASN-UHFFFAOYSA-N	0	0	541.461	3.055	50	0		KGAARN
COc1ccc(Oc2nc(N3CCN(C)CC3)nc3c2CN(S(=O)(=O)c2cccc(Cl)c2)CC3)cc1	ZINC000103208100	555339115	/nfs/dbraw/zinc/33/91/15/555339115.db2.gz	UBOYEXBWCJAUJD-UHFFFAOYSA-N	0	0	530.050	3.430	50	0		KGAARN
CCOC(=O)C1=C(CN2CCCN(C(=O)NC(C)(C)C)CC2)N(CC)C(=O)N[C@H]1c1cc(OC)ccc1OC	ZINC000103210935	555339968	/nfs/dbraw/zinc/33/99/68/555339968.db2.gz	XTWJBFOJFFNPKT-DEOSSOPVSA-N	0	0	545.681	3.123	50	0		KGAARN
CCOC(=O)C1=C(CN2CCCN(C(=O)NC(C)(C)C)CC2)N(CC)C(=O)N[C@@H]1c1cc(OC)ccc1OC	ZINC000103210937	555340020	/nfs/dbraw/zinc/34/00/20/555340020.db2.gz	XTWJBFOJFFNPKT-XMMPIXPASA-N	0	0	545.681	3.123	50	0		KGAARN
CCOC(=O)C1=C(CN2CCCN(C(=O)NC(C)(C)C)CC2)N(CC)C(=O)N[C@H]1c1cccc(OC)c1OC	ZINC000103210985	555340039	/nfs/dbraw/zinc/34/00/39/555340039.db2.gz	CKOPYBZNRGZMJM-QHCPKHFHSA-N	0	0	545.681	3.123	50	0		KGAARN
CCOC(=O)C1=C(CN2CCCN(C(=O)NC(C)(C)C)CC2)N(CC)C(=O)N[C@@H]1c1cccc(OC)c1OC	ZINC000103210988	555340033	/nfs/dbraw/zinc/34/00/33/555340033.db2.gz	CKOPYBZNRGZMJM-HSZRJFAPSA-N	0	0	545.681	3.123	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)NC(C)(C)C)[C@H](C)C2)N(CC)C(=O)N[C@H]1c1cc(OC)ccc1OC	ZINC000103210997	555340050	/nfs/dbraw/zinc/34/00/50/555340050.db2.gz	LGRRMMQZWMDFDP-KOSHJBKYSA-N	0	0	545.681	3.121	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)NC(C)(C)C)[C@H](C)C2)N(CC)C(=O)N[C@@H]1c1cc(OC)ccc1OC	ZINC000103211001	555339998	/nfs/dbraw/zinc/33/99/98/555339998.db2.gz	LGRRMMQZWMDFDP-HOYKHHGWSA-N	0	0	545.681	3.121	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)NC(C)(C)C)[C@H](C)C2)N(CC)C(=O)N[C@H]1c1ccc(OC)cc1OC	ZINC000103212150	555340216	/nfs/dbraw/zinc/34/02/16/555340216.db2.gz	RFINYJGGGULRQS-KOSHJBKYSA-N	0	0	545.681	3.121	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)NC(C)(C)C)[C@H](C)C2)N(CC)C(=O)N[C@@H]1c1ccc(OC)cc1OC	ZINC000103212152	555340220	/nfs/dbraw/zinc/34/02/20/555340220.db2.gz	RFINYJGGGULRQS-HOYKHHGWSA-N	0	0	545.681	3.121	50	0		KGAARN
CCN(CC(=O)N1CCN(c2ccc(-c3cccc(OC)c3)nn2)CC1)S(=O)(=O)c1ccc(Cl)cc1	ZINC000103222414	555341099	/nfs/dbraw/zinc/34/10/99/555341099.db2.gz	DJHUWNDVDGDRTI-UHFFFAOYSA-N	0	0	530.050	3.165	50	0		KGAARN
COCCNS(=O)(=O)c1ccc(OC)c(N2CCN(S(=O)(=O)c3cc(Cl)c(Cl)cc3Cl)CC2)c1	ZINC000103231247	555342063	/nfs/dbraw/zinc/34/20/63/555342063.db2.gz	WINKEKSSMPLADJ-UHFFFAOYSA-N	0	0	572.920	3.091	50	0		KGAARN
CCCNC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2ccc(OC)cc2)C[C@H]1c1cc(OC)ccc1OC	ZINC000103257655	555345958	/nfs/dbraw/zinc/34/59/58/555345958.db2.gz	FCXOIPBGSPQBOH-MHZLTWQESA-N	0	0	567.687	3.144	50	0		KGAARN
CCCNC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2ccc(OC)cc2)C[C@@H]1c1cc(OC)ccc1OC	ZINC000103257658	555346006	/nfs/dbraw/zinc/34/60/06/555346006.db2.gz	FCXOIPBGSPQBOH-HHHXNRCGSA-N	0	0	567.687	3.144	50	0		KGAARN
CCCNC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2ccccc2F)C[C@H]1c1ccc(OC)c(OC)c1	ZINC000103257696	555346039	/nfs/dbraw/zinc/34/60/39/555346039.db2.gz	AFFDCKUFUSGCGT-VWLOTQADSA-N	0	0	555.651	3.274	50	0		KGAARN
CCCNC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2ccccc2F)C[C@@H]1c1ccc(OC)c(OC)c1	ZINC000103257699	555345985	/nfs/dbraw/zinc/34/59/85/555345985.db2.gz	AFFDCKUFUSGCGT-RUZDIDTESA-N	0	0	555.651	3.274	50	0		KGAARN
CCCNC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2ccc(OC)cc2OC)C[C@H]1c1ccc(C)cc1	ZINC000103257717	555345973	/nfs/dbraw/zinc/34/59/73/555345973.db2.gz	IDQRAFGJTCCKSX-MHZLTWQESA-N	0	0	551.688	3.444	50	0		KGAARN
CCCNC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2ccc(OC)cc2OC)C[C@@H]1c1ccc(C)cc1	ZINC000103257720	555346032	/nfs/dbraw/zinc/34/60/32/555346032.db2.gz	IDQRAFGJTCCKSX-HHHXNRCGSA-N	0	0	551.688	3.444	50	0		KGAARN
CCCNC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2ccc(OC)cc2OC)C[C@H]1c1ccc(F)cc1	ZINC000103257770	555346052	/nfs/dbraw/zinc/34/60/52/555346052.db2.gz	HJZLBVWBQZNBQD-SANMLTNESA-N	0	0	555.651	3.274	50	0		KGAARN
CCCNC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2ccc(OC)cc2OC)C[C@@H]1c1ccc(F)cc1	ZINC000103257773	555346023	/nfs/dbraw/zinc/34/60/23/555346023.db2.gz	HJZLBVWBQZNBQD-AREMUKBSSA-N	0	0	555.651	3.274	50	0		KGAARN
CCCNC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2ccc(C)c(C)c2)C[C@H]1c1ccc2c(c1)OCO2	ZINC000103257834	555346315	/nfs/dbraw/zinc/34/63/15/555346315.db2.gz	JVBRIOXOPVTEBN-SANMLTNESA-N	0	0	549.672	3.464	50	0		KGAARN
CCCNC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2ccc(C)c(C)c2)C[C@@H]1c1ccc2c(c1)OCO2	ZINC000103257837	555346349	/nfs/dbraw/zinc/34/63/49/555346349.db2.gz	JVBRIOXOPVTEBN-AREMUKBSSA-N	0	0	549.672	3.464	50	0		KGAARN
COc1ccc(NC(=O)COC(=O)c2ccc3c(c2)C(=O)N([C@@H](C(=O)OCC(=O)Nc2ccc(OC)cc2)C(C)C)C3=O)cc1	ZINC000103258492	555346322	/nfs/dbraw/zinc/34/63/22/555346322.db2.gz	QLRUIJSRKNMSJF-MUUNZHRXSA-N	0	0	617.611	3.302	50	0		KGAARN
COc1ccc(NC(=O)COC(=O)c2ccc3c(c2)C(=O)N([C@H](C(=O)OCC(=O)Nc2ccc(OC)cc2)C(C)C)C3=O)cc1	ZINC000103258494	555346329	/nfs/dbraw/zinc/34/63/29/555346329.db2.gz	QLRUIJSRKNMSJF-NDEPHWFRSA-N	0	0	617.611	3.302	50	0		KGAARN
Nc1c2c(nn1-c1ccc(Cl)c(Cl)c1)nc(N1CCN(CC(=O)N3CCOCC3)CC1)nc2-c1ccccc1F	ZINC000103264746	555346982	/nfs/dbraw/zinc/34/69/82/555346982.db2.gz	YGCDUPOSEWKEFQ-UHFFFAOYSA-N	0	0	585.471	3.491	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(S(=O)(=O)c3ccc(C)cc3)[C@H](C)C2)N(CC)C(=O)N[C@H]1c1cccc(F)c1	ZINC000103268534	555348015	/nfs/dbraw/zinc/34/80/15/555348015.db2.gz	VWHBBBOTPCVYSJ-IBVKSMDESA-N	0	0	558.676	3.433	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(S(=O)(=O)c3ccc(C)cc3)[C@H](C)C2)N(CC)C(=O)N[C@@H]1c1cccc(F)c1	ZINC000103268538	555347881	/nfs/dbraw/zinc/34/78/81/555347881.db2.gz	VWHBBBOTPCVYSJ-FQRUVTKNSA-N	0	0	558.676	3.433	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(S(=O)(=O)c3ccccc3)[C@H](C)C2)N(CC)C(=O)N[C@H]1c1cccc(F)c1	ZINC000103268582	555347897	/nfs/dbraw/zinc/34/78/97/555347897.db2.gz	ONGQYSHUUNUVRM-CLOONOSVSA-N	0	0	544.649	3.124	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(S(=O)(=O)c3ccccc3)[C@H](C)C2)N(CC)C(=O)N[C@@H]1c1cccc(F)c1	ZINC000103268587	555347977	/nfs/dbraw/zinc/34/79/77/555347977.db2.gz	ONGQYSHUUNUVRM-KBMIEXCESA-N	0	0	544.649	3.124	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(S(=O)(=O)c3ccc(C)cc3)[C@H](C)C2)N(CC)C(=O)N[C@H]1c1ccccc1F	ZINC000103268598	555347891	/nfs/dbraw/zinc/34/78/91/555347891.db2.gz	NITSGBQBYXMNQV-IBVKSMDESA-N	0	0	558.676	3.433	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(S(=O)(=O)c3ccc(C)cc3)[C@H](C)C2)N(CC)C(=O)N[C@@H]1c1ccccc1F	ZINC000103268601	555347959	/nfs/dbraw/zinc/34/79/59/555347959.db2.gz	NITSGBQBYXMNQV-FQRUVTKNSA-N	0	0	558.676	3.433	50	0		KGAARN
CCOC(=O)C1=C(CN2CCCN(C(=O)c3ccc(OC)cc3)CC2)N(C)C(=O)N[C@@H]1c1cc(OC)ccc1OC	ZINC000103268779	555348109	/nfs/dbraw/zinc/34/81/09/555348109.db2.gz	HZOVRSMPDWNNPG-HHHXNRCGSA-N	0	0	566.655	3.074	50	0		KGAARN
CCOC(=O)C1=C(CN2CCCN(C(=O)c3ccc(OC)cc3)CC2)N(C)C(=O)N[C@H]1c1cc(OC)ccc1OC	ZINC000103268781	555348233	/nfs/dbraw/zinc/34/82/33/555348233.db2.gz	HZOVRSMPDWNNPG-MHZLTWQESA-N	0	0	566.655	3.074	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)N(CC)C(=O)N[C@H]1c1cccc(F)c1	ZINC000103270704	555348759	/nfs/dbraw/zinc/34/87/59/555348759.db2.gz	MMDBLNXDVOGRHS-DEOSSOPVSA-N	0	0	565.067	3.389	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)N(CC)C(=O)N[C@@H]1c1cccc(F)c1	ZINC000103270707	555348779	/nfs/dbraw/zinc/34/87/79/555348779.db2.gz	MMDBLNXDVOGRHS-XMMPIXPASA-N	0	0	565.067	3.389	50	0		KGAARN
CCOC(=O)C1=C(CN2CCCN(C(=O)NC(C)(C)C)CC2)N(CC)C(=O)N[C@H]1c1ccc(OC)cc1OC	ZINC000103270734	555348766	/nfs/dbraw/zinc/34/87/66/555348766.db2.gz	CJKFZSZIIROMCF-DEOSSOPVSA-N	0	0	545.681	3.123	50	0		KGAARN
CCOC(=O)C1=C(CN2CCCN(C(=O)NC(C)(C)C)CC2)N(CC)C(=O)N[C@@H]1c1ccc(OC)cc1OC	ZINC000103270737	555348658	/nfs/dbraw/zinc/34/86/58/555348658.db2.gz	CJKFZSZIIROMCF-XMMPIXPASA-N	0	0	545.681	3.123	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)N(CC)C(=O)N[C@H]1c1cccc(F)c1	ZINC000103270758	555348826	/nfs/dbraw/zinc/34/88/26/555348826.db2.gz	KIANRYHIABGWQU-VWLOTQADSA-N	0	0	544.649	3.044	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)N(CC)C(=O)N[C@@H]1c1cccc(F)c1	ZINC000103270761	555348635	/nfs/dbraw/zinc/34/86/35/555348635.db2.gz	KIANRYHIABGWQU-RUZDIDTESA-N	0	0	544.649	3.044	50	0		KGAARN
COc1ccccc1Oc1nc(N2CCN(C)CC2)nc2c1CN(S(=O)(=O)c1cccc(Cl)c1)CC2	ZINC000103273641	555349153	/nfs/dbraw/zinc/34/91/53/555349153.db2.gz	QRCGHHQRSMSAFR-UHFFFAOYSA-N	0	0	530.050	3.430	50	0		KGAARN
CCNC(=O)N(CCN1CCOCC1)Cc1cnc(S(=O)(=O)Cc2ccc(C)cc2)n1Cc1ccccc1	ZINC000103275995	555349467	/nfs/dbraw/zinc/34/94/67/555349467.db2.gz	PDTOOMSXKQRRFM-UHFFFAOYSA-N	0	0	539.702	3.077	50	0		KGAARN
CCOC(=O)C1=C(CN2CCCN(S(=O)(=O)c3ccc(C)cc3)CC2)N(C)C(=O)N[C@@H]1c1cccc(C)c1	ZINC000103278542	555350401	/nfs/dbraw/zinc/35/04/01/555350401.db2.gz	OBHDGZMRWWOAFY-AREMUKBSSA-N	0	0	540.686	3.213	50	0		KGAARN
CCOC(=O)C1=C(CN2CCCN(S(=O)(=O)c3ccc(C)cc3)CC2)N(C)C(=O)N[C@H]1c1cccc(C)c1	ZINC000103278544	555350418	/nfs/dbraw/zinc/35/04/18/555350418.db2.gz	OBHDGZMRWWOAFY-SANMLTNESA-N	0	0	540.686	3.213	50	0		KGAARN
CCNC(=O)N(CCN1CCOCC1)Cc1cnc(S(=O)(=O)Cc2ccccc2C)n1Cc1ccccc1	ZINC000103279112	555351088	/nfs/dbraw/zinc/35/10/88/555351088.db2.gz	NZZKLTCEEOVFIL-UHFFFAOYSA-N	0	0	539.702	3.077	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)N(CC)C(=O)N[C@H]1c1ccc(F)cc1	ZINC000103279588	555351062	/nfs/dbraw/zinc/35/10/62/555351062.db2.gz	LCGPTYXOVYVMAV-DEOSSOPVSA-N	0	0	565.067	3.389	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)N(CC)C(=O)N[C@@H]1c1ccc(F)cc1	ZINC000103279591	555351110	/nfs/dbraw/zinc/35/11/10/555351110.db2.gz	LCGPTYXOVYVMAV-XMMPIXPASA-N	0	0	565.067	3.389	50	0		KGAARN
CCOC(=O)C1=C(CN2CCCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)N(C)C(=O)N[C@@H]1c1ccccc1	ZINC000103279603	555351010	/nfs/dbraw/zinc/35/10/10/555351010.db2.gz	BWOFNPXLCBMUHP-XMMPIXPASA-N	0	0	547.077	3.250	50	0		KGAARN
CCOC(=O)C1=C(CN2CCCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)N(C)C(=O)N[C@H]1c1ccccc1	ZINC000103279609	555351042	/nfs/dbraw/zinc/35/10/42/555351042.db2.gz	BWOFNPXLCBMUHP-DEOSSOPVSA-N	0	0	547.077	3.250	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(S(=O)(=O)c3ccccc3)[C@H](C)C2)N(CC)C(=O)N[C@H]1c1ccc(F)cc1	ZINC000103279676	555350966	/nfs/dbraw/zinc/35/09/66/555350966.db2.gz	DGLSPJCAHUBRFZ-CLOONOSVSA-N	0	0	544.649	3.124	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(S(=O)(=O)c3ccccc3)[C@H](C)C2)N(CC)C(=O)N[C@@H]1c1ccc(F)cc1	ZINC000103279679	555351022	/nfs/dbraw/zinc/35/10/22/555351022.db2.gz	DGLSPJCAHUBRFZ-KBMIEXCESA-N	0	0	544.649	3.124	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)N(CC)C(=O)N[C@H]1c1ccc(F)cc1	ZINC000103279681	555351030	/nfs/dbraw/zinc/35/10/30/555351030.db2.gz	AJCMURJWJJNPBF-VWLOTQADSA-N	0	0	544.649	3.044	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)N(CC)C(=O)N[C@@H]1c1ccc(F)cc1	ZINC000103279683	555350993	/nfs/dbraw/zinc/35/09/93/555350993.db2.gz	AJCMURJWJJNPBF-RUZDIDTESA-N	0	0	544.649	3.044	50	0		KGAARN
CCOC(=O)C1=C(CN2CCCN(C(=O)NC(C)(C)C)CC2)N(CC)C(=O)N[C@H]1c1ccc(OC)c(OC)c1	ZINC000103279709	555351046	/nfs/dbraw/zinc/35/10/46/555351046.db2.gz	BIFIQJHZUHGAFY-DEOSSOPVSA-N	0	0	545.681	3.123	50	0		KGAARN
CCOC(=O)C1=C(CN2CCCN(C(=O)NC(C)(C)C)CC2)N(CC)C(=O)N[C@@H]1c1ccc(OC)c(OC)c1	ZINC000103279712	555350997	/nfs/dbraw/zinc/35/09/97/555350997.db2.gz	BIFIQJHZUHGAFY-XMMPIXPASA-N	0	0	545.681	3.123	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(S(=O)(=O)c3ccccc3)[C@H](C)C2)N(C)C(=O)N[C@@H]1c1ccccc1Cl	ZINC000103279719	555351070	/nfs/dbraw/zinc/35/10/70/555351070.db2.gz	QYKCYDPXWCGCOC-HOYKHHGWSA-N	0	0	547.077	3.248	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(S(=O)(=O)c3ccccc3)[C@H](C)C2)N(C)C(=O)N[C@H]1c1ccccc1Cl	ZINC000103279722	555351026	/nfs/dbraw/zinc/35/10/26/555351026.db2.gz	QYKCYDPXWCGCOC-KOSHJBKYSA-N	0	0	547.077	3.248	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(S(=O)(=O)c3ccc(Cl)cc3)[C@H](C)C2)N(C)C(=O)N[C@@H]1c1ccccc1	ZINC000103279740	555350975	/nfs/dbraw/zinc/35/09/75/555350975.db2.gz	XJJNIBYESNCMID-HOYKHHGWSA-N	0	0	547.077	3.248	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(S(=O)(=O)c3ccc(Cl)cc3)[C@H](C)C2)N(C)C(=O)N[C@H]1c1ccccc1	ZINC000103279743	555351034	/nfs/dbraw/zinc/35/10/34/555351034.db2.gz	XJJNIBYESNCMID-KOSHJBKYSA-N	0	0	547.077	3.248	50	0		KGAARN
CCOC(=O)C1=C(CN2CCCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)N(C)C(=O)N[C@@H]1c1ccc(F)cc1	ZINC000103279772	555350971	/nfs/dbraw/zinc/35/09/71/555350971.db2.gz	YGQPVAIMLMEPJH-XMMPIXPASA-N	0	0	565.067	3.389	50	0		KGAARN
CCOC(=O)C1=C(CN2CCCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)N(C)C(=O)N[C@H]1c1ccc(F)cc1	ZINC000103279775	555350989	/nfs/dbraw/zinc/35/09/89/555350989.db2.gz	YGQPVAIMLMEPJH-DEOSSOPVSA-N	0	0	565.067	3.389	50	0		KGAARN
CCOC(=O)C1=C(CN2CCCN(S(=O)(=O)c3ccccc3)CC2)N(C)C(=O)N[C@@H]1c1ccccc1Cl	ZINC000103279815	555351427	/nfs/dbraw/zinc/35/14/27/555351427.db2.gz	QSMZCTTXCJMXQJ-XMMPIXPASA-N	0	0	547.077	3.250	50	0		KGAARN
CCOC(=O)C1=C(CN2CCCN(S(=O)(=O)c3ccccc3)CC2)N(C)C(=O)N[C@H]1c1ccccc1Cl	ZINC000103279817	555351485	/nfs/dbraw/zinc/35/14/85/555351485.db2.gz	QSMZCTTXCJMXQJ-DEOSSOPVSA-N	0	0	547.077	3.250	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)N(C)C(=O)N[C@@H]1c1ccccc1Cl	ZINC000103279826	555351320	/nfs/dbraw/zinc/35/13/20/555351320.db2.gz	XTEITCUXRJOURD-XMMPIXPASA-N	0	0	547.077	3.168	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)N(C)C(=O)N[C@H]1c1ccccc1Cl	ZINC000103279828	555351473	/nfs/dbraw/zinc/35/14/73/555351473.db2.gz	XTEITCUXRJOURD-DEOSSOPVSA-N	0	0	547.077	3.168	50	0		KGAARN
CCOC(=O)C1=C(CN2CCCN(S(=O)(=O)c3ccc(C)cc3)CC2)N(C)C(=O)N[C@@H]1c1cccc(F)c1	ZINC000103282496	555352009	/nfs/dbraw/zinc/35/20/09/555352009.db2.gz	QDFVHXASPSHYSY-RUZDIDTESA-N	0	0	544.649	3.044	50	0		KGAARN
CCOC(=O)C1=C(CN2CCCN(S(=O)(=O)c3ccc(C)cc3)CC2)N(C)C(=O)N[C@H]1c1cccc(F)c1	ZINC000103282499	555352001	/nfs/dbraw/zinc/35/20/01/555352001.db2.gz	QDFVHXASPSHYSY-VWLOTQADSA-N	0	0	544.649	3.044	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(S(=O)(=O)c3ccc(Cl)cc3)[C@H](C)C2)N(C)C(=O)N[C@@H]1c1cccc(F)c1	ZINC000103284049	555352318	/nfs/dbraw/zinc/35/23/18/555352318.db2.gz	SREQKBMTIHZLKN-MZNJEOGPSA-N	0	0	565.067	3.387	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(S(=O)(=O)c3ccc(Cl)cc3)[C@H](C)C2)N(C)C(=O)N[C@H]1c1cccc(F)c1	ZINC000103284053	555352352	/nfs/dbraw/zinc/35/23/52/555352352.db2.gz	SREQKBMTIHZLKN-OSPHWJPCSA-N	0	0	565.067	3.387	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(S(=O)(=O)c3ccccc3)CC2)N(CC)C(=O)N[C@H]1c1ccc(Cl)cc1	ZINC000103284059	555352344	/nfs/dbraw/zinc/35/23/44/555352344.db2.gz	XZXPYSHSTYGQET-DEOSSOPVSA-N	0	0	547.077	3.250	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(S(=O)(=O)c3ccccc3)CC2)N(CC)C(=O)N[C@@H]1c1ccc(Cl)cc1	ZINC000103284062	555352358	/nfs/dbraw/zinc/35/23/58/555352358.db2.gz	XZXPYSHSTYGQET-XMMPIXPASA-N	0	0	547.077	3.250	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)N(CC)C(=O)N[C@H]1c1ccccc1	ZINC000103284092	555352369	/nfs/dbraw/zinc/35/23/69/555352369.db2.gz	DUJULUNHEPSFMQ-DEOSSOPVSA-N	0	0	547.077	3.250	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)N(CC)C(=O)N[C@@H]1c1ccccc1	ZINC000103284095	555352320	/nfs/dbraw/zinc/35/23/20/555352320.db2.gz	DUJULUNHEPSFMQ-XMMPIXPASA-N	0	0	547.077	3.250	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(S(=O)(=O)c3ccc(C)cc3)[C@H](C)C2)N(CC)C(=O)N[C@H]1c1ccccc1	ZINC000103284097	555352322	/nfs/dbraw/zinc/35/23/22/555352322.db2.gz	XCWUBIZXAUDOPA-RLWLMLJZSA-N	0	0	540.686	3.293	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(S(=O)(=O)c3ccc(C)cc3)[C@H](C)C2)N(CC)C(=O)N[C@@H]1c1ccccc1	ZINC000103284101	555352331	/nfs/dbraw/zinc/35/23/31/555352331.db2.gz	XCWUBIZXAUDOPA-QFQXNSOFSA-N	0	0	540.686	3.293	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(S(=O)(=O)c3ccc(C)cc3)[C@H](C)C2)N(C)C(=O)N[C@@H]1c1cccc(F)c1	ZINC000103284162	555352301	/nfs/dbraw/zinc/35/23/01/555352301.db2.gz	PAAZYVNIUOVOCX-KBMIEXCESA-N	0	0	544.649	3.042	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(S(=O)(=O)c3ccc(C)cc3)[C@H](C)C2)N(C)C(=O)N[C@H]1c1cccc(F)c1	ZINC000103284166	555352313	/nfs/dbraw/zinc/35/23/13/555352313.db2.gz	PAAZYVNIUOVOCX-CLOONOSVSA-N	0	0	544.649	3.042	50	0		KGAARN
CCOC(=O)C1=C(CN2CCCN(S(=O)(=O)c3ccc(C)cc3)CC2)N(C)C(=O)N[C@@H]1c1ccccc1C	ZINC000103284271	555352795	/nfs/dbraw/zinc/35/27/95/555352795.db2.gz	SPUFSUCNRPSUAS-AREMUKBSSA-N	0	0	540.686	3.213	50	0		KGAARN
CCOC(=O)C1=C(CN2CCCN(S(=O)(=O)c3ccc(C)cc3)CC2)N(C)C(=O)N[C@H]1c1ccccc1C	ZINC000103284274	555352708	/nfs/dbraw/zinc/35/27/08/555352708.db2.gz	SPUFSUCNRPSUAS-SANMLTNESA-N	0	0	540.686	3.213	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)N(C)C(=O)N[C@@H]1c1cccc(C)c1	ZINC000103284321	555352832	/nfs/dbraw/zinc/35/28/32/555352832.db2.gz	ZXHMFGXSLOIGCZ-XMMPIXPASA-N	0	0	547.077	3.168	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)N(C)C(=O)N[C@H]1c1cccc(C)c1	ZINC000103284325	555352743	/nfs/dbraw/zinc/35/27/43/555352743.db2.gz	ZXHMFGXSLOIGCZ-DEOSSOPVSA-N	0	0	547.077	3.168	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)N(CC)C(=O)N[C@H]1c1ccccc1C	ZINC000103284375	555352781	/nfs/dbraw/zinc/35/27/81/555352781.db2.gz	GQTJRUJZNSNZTD-SANMLTNESA-N	0	0	540.686	3.213	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)N(CC)C(=O)N[C@@H]1c1ccccc1C	ZINC000103284378	555352785	/nfs/dbraw/zinc/35/27/85/555352785.db2.gz	GQTJRUJZNSNZTD-AREMUKBSSA-N	0	0	540.686	3.213	50	0		KGAARN
COc1cccc(Oc2nc(N3CCN(C)CC3)nc3c2CN(S(=O)(=O)c2cccc(Cl)c2)CC3)c1	ZINC000103286465	555352967	/nfs/dbraw/zinc/35/29/67/555352967.db2.gz	YSAXFJXFRYHHPV-UHFFFAOYSA-N	0	0	530.050	3.430	50	0		KGAARN
CCOC(=O)C1=C(CN2CCCN(S(=O)(=O)c3ccccc3)CC2)N(C)C(=O)N[C@@H]1c1ccc(Cl)cc1	ZINC000103287090	555353494	/nfs/dbraw/zinc/35/34/94/555353494.db2.gz	JYKCOVDAXKGSID-XMMPIXPASA-N	0	0	547.077	3.250	50	0		KGAARN
CCOC(=O)C1=C(CN2CCCN(S(=O)(=O)c3ccccc3)CC2)N(C)C(=O)N[C@H]1c1ccc(Cl)cc1	ZINC000103287093	555353475	/nfs/dbraw/zinc/35/34/75/555353475.db2.gz	JYKCOVDAXKGSID-DEOSSOPVSA-N	0	0	547.077	3.250	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(S(=O)(=O)c3ccccc3)[C@H](C)C2)N(C)C(=O)N[C@@H]1c1ccc(Cl)cc1	ZINC000103287146	555353452	/nfs/dbraw/zinc/35/34/52/555353452.db2.gz	JJYQVDJQGOMQPU-HOYKHHGWSA-N	0	0	547.077	3.248	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(S(=O)(=O)c3ccccc3)[C@H](C)C2)N(C)C(=O)N[C@H]1c1ccc(Cl)cc1	ZINC000103287149	555353424	/nfs/dbraw/zinc/35/34/24/555353424.db2.gz	JJYQVDJQGOMQPU-KOSHJBKYSA-N	0	0	547.077	3.248	50	0		KGAARN
CC[C@H](C)[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O	ZINC000103289373	555354125	/nfs/dbraw/zinc/35/41/25/555354125.db2.gz	PBDZXMIYRDSKEI-XSGUUIGASA-N	0	0	563.699	3.347	50	0		KGAARN
COCCn1c(CN(CC2CC2)S(=O)(=O)c2ccc(OC)cc2)cnc1S(=O)(=O)Cc1ccc(F)cc1	ZINC000103298764	555355134	/nfs/dbraw/zinc/35/51/34/555355134.db2.gz	RDXWQWABRDENNO-UHFFFAOYSA-N	0	0	551.662	3.252	50	0		KGAARN
COCCn1c(CN(C[C@@H]2CCCO2)C(=O)c2ccccc2F)cnc1S(=O)(=O)Cc1cccc(OC)c1	ZINC000103301393	555355766	/nfs/dbraw/zinc/35/57/66/555355766.db2.gz	HFYZTWCJRHBFIR-QHCPKHFHSA-N	0	0	545.633	3.473	50	0		KGAARN
COCCn1c(CN(C[C@H]2CCCO2)C(=O)c2ccccc2F)cnc1S(=O)(=O)Cc1cccc(OC)c1	ZINC000103301395	555355802	/nfs/dbraw/zinc/35/58/02/555355802.db2.gz	HFYZTWCJRHBFIR-HSZRJFAPSA-N	0	0	545.633	3.473	50	0		KGAARN
COCCn1c(CN(Cc2ccco2)S(=O)(=O)c2ccccc2)cnc1S(=O)(=O)Cc1ccccc1	ZINC000103301424	555355825	/nfs/dbraw/zinc/35/58/25/555355825.db2.gz	ONEIRHAFYLBJLR-UHFFFAOYSA-N	0	0	529.640	3.488	50	0		KGAARN
O=C1[C@@H](Cc2ccccc2)NC2(CCN(S(=O)(=O)c3cccc4cccnc43)CC2)N1CCc1ccccn1	ZINC000103303616	555356110	/nfs/dbraw/zinc/35/61/10/555356110.db2.gz	RKKNBBWFNSOVCV-AREMUKBSSA-N	0	0	541.677	3.396	50	0		KGAARN
O=C1[C@H](Cc2ccccc2)NC2(CCN(S(=O)(=O)c3cccc4cccnc43)CC2)N1CCc1ccccn1	ZINC000103303619	555356117	/nfs/dbraw/zinc/35/61/17/555356117.db2.gz	RKKNBBWFNSOVCV-SANMLTNESA-N	0	0	541.677	3.396	50	0		KGAARN
COc1ccc(Oc2nc(N3CCN(C)CC3)nc3c2CN(S(=O)(=O)c2ccc(Cl)cc2)CC3)cc1	ZINC000103305067	555356060	/nfs/dbraw/zinc/35/60/60/555356060.db2.gz	VGRRFGWAQNRYOA-UHFFFAOYSA-N	0	0	530.050	3.430	50	0		KGAARN
COc1ccc(C(=O)N(CC(=O)N2CCN(c3ccc(-c4ccc(OC)cc4OC)nn3)CC2)CC2CC2)cc1	ZINC000103305701	555356069	/nfs/dbraw/zinc/35/60/69/555356069.db2.gz	DJBROTOXWYVIQB-UHFFFAOYSA-N	0	0	545.640	3.370	50	0		KGAARN
COCC(=O)N(CC(=O)N1CCCN(c2ccc(-c3ccc(OC)cc3OC)nn2)CC1)[C@@H](C)c1ccccc1	ZINC000103305794	555356106	/nfs/dbraw/zinc/35/61/06/555356106.db2.gz	GRQXWGWKGPKLRF-QFIPXVFZSA-N	0	0	547.656	3.436	50	0		KGAARN
COCC(=O)N(CC(=O)N1CCCN(c2ccc(-c3ccc(OC)cc3OC)nn2)CC1)[C@H](C)c1ccccc1	ZINC000103305796	555356420	/nfs/dbraw/zinc/35/64/20/555356420.db2.gz	GRQXWGWKGPKLRF-JOCHJYFZSA-N	0	0	547.656	3.436	50	0		KGAARN
COc1ccc(-c2ccc(N3CCN(C(=O)CN(CC4CC4)C(=O)c4ccc5c(c4)OCO5)CC3)nn2)c(OC)c1	ZINC000103305829	555356387	/nfs/dbraw/zinc/35/63/87/555356387.db2.gz	HFQDBVKBDFQJNL-UHFFFAOYSA-N	0	0	559.623	3.091	50	0		KGAARN
CCc1ccccc1N1CCN(C(=O)c2coc(CN3CCN(C[C@H](O)COc4ccc(Cl)cc4)CC3)n2)CC1	ZINC000103306254	555356422	/nfs/dbraw/zinc/35/64/22/555356422.db2.gz	HDTWKCYKTNBOQQ-VWLOTQADSA-N	0	0	568.118	3.410	50	0		KGAARN
CCc1ccccc1N1CCN(C(=O)c2coc(CN3CCN(C[C@@H](O)COc4ccc(Cl)cc4)CC3)n2)CC1	ZINC000103306255	555356424	/nfs/dbraw/zinc/35/64/24/555356424.db2.gz	HDTWKCYKTNBOQQ-RUZDIDTESA-N	0	0	568.118	3.410	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)c3ccc(OC)cc3)[C@H](C)C2)N(C)C(=O)N[C@@H]1c1cccc(OC)c1OC	ZINC000103306910	555356804	/nfs/dbraw/zinc/35/68/04/555356804.db2.gz	GYIDROLGNQQCLN-NIYFSFCBSA-N	0	0	566.655	3.072	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)c3ccc(OC)cc3)[C@H](C)C2)N(C)C(=O)N[C@H]1c1cccc(OC)c1OC	ZINC000103306912	555356688	/nfs/dbraw/zinc/35/66/88/555356688.db2.gz	GYIDROLGNQQCLN-BCHFMIIMSA-N	0	0	566.655	3.072	50	0		KGAARN
COc1ccc(-c2ccc(N3CCN(C(=O)CN(Cc4ccco4)C(=S)NC(C)C)CC3)nn2)c(OC)c1	ZINC000103313459	555358382	/nfs/dbraw/zinc/35/83/82/555358382.db2.gz	QXPGOKZMIMFPGT-UHFFFAOYSA-N	0	0	538.674	3.188	50	0		KGAARN
COc1ccc(-c2ccc(N3CCN(C(=O)CN(Cc4ccc5c(c4)OCO5)C(=O)NC(C)C)CC3)nn2)c(OC)c1	ZINC000103313494	555358404	/nfs/dbraw/zinc/35/84/04/555358404.db2.gz	QTFMJDHRYQAPQR-UHFFFAOYSA-N	0	0	576.654	3.158	50	0		KGAARN
COc1ccc(-c2ccc(N3CCN(C(=O)CN(Cc4ccc5c(c4)OCO5)C(=S)NC(C)C)CC3)nn2)c(OC)c1	ZINC000103313506	555358311	/nfs/dbraw/zinc/35/83/11/555358311.db2.gz	IGRJFORHETXVPF-UHFFFAOYSA-N	0	0	592.722	3.323	50	0		KGAARN
O=C(COc1ccc(Cl)cc1)c1ccc2c(c1)N(Cc1ccc(C(=O)NCCN3CCOCC3)o1)C(=O)CO2	ZINC000103318932	555358717	/nfs/dbraw/zinc/35/87/17/555358717.db2.gz	WWHBINCLJVGSRT-UHFFFAOYSA-N	0	0	553.999	3.182	50	0		KGAARN
COc1cccc(-c2ccc(N3CCN(C(=O)CN(C[C@@H]4CCCO4)C(=O)c4cccc(F)c4)CC3)nn2)c1	ZINC000103327908	555359286	/nfs/dbraw/zinc/35/92/86/555359286.db2.gz	GBFQHWVNXKLHKP-VWLOTQADSA-N	0	0	533.604	3.261	50	0		KGAARN
COc1cccc(-c2ccc(N3CCN(C(=O)CN(C[C@H]4CCCO4)C(=O)c4cccc(F)c4)CC3)nn2)c1	ZINC000103327912	555359298	/nfs/dbraw/zinc/35/92/98/555359298.db2.gz	GBFQHWVNXKLHKP-RUZDIDTESA-N	0	0	533.604	3.261	50	0		KGAARN
COc1cccc(-c2ccc(N3CCN(C(=O)CN(C[C@@H]4CCCO4)C(=O)c4ccc(F)cc4)CC3)nn2)c1	ZINC000103327993	555359300	/nfs/dbraw/zinc/35/93/00/555359300.db2.gz	FRRZFSBYCSHDGW-VWLOTQADSA-N	0	0	533.604	3.261	50	0		KGAARN
COc1cccc(-c2ccc(N3CCN(C(=O)CN(C[C@H]4CCCO4)C(=O)c4ccc(F)cc4)CC3)nn2)c1	ZINC000103327996	555359305	/nfs/dbraw/zinc/35/93/05/555359305.db2.gz	FRRZFSBYCSHDGW-RUZDIDTESA-N	0	0	533.604	3.261	50	0		KGAARN
COc1ccc(C(=O)N(CC(=O)N2CCN(c3ccc(-c4cccc(OC)c4)nn3)CC2)C[C@@H]2CCCO2)cc1	ZINC000103328087	555359354	/nfs/dbraw/zinc/35/93/54/555359354.db2.gz	HUOBQBMPLSCVNR-SANMLTNESA-N	0	0	545.640	3.131	50	0		KGAARN
COc1ccc(C(=O)N(CC(=O)N2CCN(c3ccc(-c4cccc(OC)c4)nn3)CC2)C[C@H]2CCCO2)cc1	ZINC000103328091	555359296	/nfs/dbraw/zinc/35/92/96/555359296.db2.gz	HUOBQBMPLSCVNR-AREMUKBSSA-N	0	0	545.640	3.131	50	0		KGAARN
COc1ccc([C@@H]2CC(c3ccccc3F)=NN2C(=O)CN(CCN2CCOCC2)C(=O)NC(C)C)cc1OC	ZINC000103328765	555359337	/nfs/dbraw/zinc/35/93/37/555359337.db2.gz	BFYLSPLLVLLMFT-VWLOTQADSA-N	0	0	555.651	3.273	50	0		KGAARN
COc1ccc([C@H]2CC(c3ccccc3F)=NN2C(=O)CN(CCN2CCOCC2)C(=O)NC(C)C)cc1OC	ZINC000103328767	555359348	/nfs/dbraw/zinc/35/93/48/555359348.db2.gz	BFYLSPLLVLLMFT-RUZDIDTESA-N	0	0	555.651	3.273	50	0		KGAARN
COCCN(CC(=O)N1CCCN(c2ccc(-c3ccccc3Cl)nn2)CC1)C(=O)c1ccc2c(c1)OCO2	ZINC000103333495	555360169	/nfs/dbraw/zinc/36/01/69/555360169.db2.gz	JOKDSESXAUDTNQ-UHFFFAOYSA-N	0	0	552.031	3.353	50	0		KGAARN
COc1cccc(-c2ccc(N3CCCN(C(=O)CN(C[C@@H]4CCCO4)C(=O)c4ccc5c(c4)OCO5)CC3)nn2)c1	ZINC000103334287	555360541	/nfs/dbraw/zinc/36/05/41/555360541.db2.gz	WTJBJAVQBCBTKO-VWLOTQADSA-N	0	0	573.650	3.241	50	0		KGAARN
COc1cccc(-c2ccc(N3CCCN(C(=O)CN(C[C@H]4CCCO4)C(=O)c4ccc5c(c4)OCO5)CC3)nn2)c1	ZINC000103334291	555360611	/nfs/dbraw/zinc/36/06/11/555360611.db2.gz	WTJBJAVQBCBTKO-RUZDIDTESA-N	0	0	573.650	3.241	50	0		KGAARN
COc1ccc(-c2ccc(N3CCN(C(=O)CN(C[C@@H]4CCCO4)C(=O)c4ccccc4F)CC3)nn2)c(OC)c1	ZINC000103334331	555360560	/nfs/dbraw/zinc/36/05/60/555360560.db2.gz	CQCPHNISZATKMD-QFIPXVFZSA-N	0	0	563.630	3.270	50	0		KGAARN
COc1ccc(-c2ccc(N3CCN(C(=O)CN(C[C@H]4CCCO4)C(=O)c4ccccc4F)CC3)nn2)c(OC)c1	ZINC000103334333	555360635	/nfs/dbraw/zinc/36/06/35/555360635.db2.gz	CQCPHNISZATKMD-JOCHJYFZSA-N	0	0	563.630	3.270	50	0		KGAARN
COCC(=O)N(CC(=O)N1CCCN(c2ccc(-c3ccccc3Cl)nn2)CC1)Cc1ccc2c(c1)OCO2	ZINC000103335308	555360843	/nfs/dbraw/zinc/36/08/43/555360843.db2.gz	RVXWJCSSYBFPSZ-UHFFFAOYSA-N	0	0	552.031	3.240	50	0		KGAARN
COc1ccc(-c2ccc(N3CCN(C(=O)CN(Cc4ccc5c(c4)OCO5)C(=O)c4ccco4)CC3)nn2)c(OC)c1	ZINC000103336866	555361181	/nfs/dbraw/zinc/36/11/81/555361181.db2.gz	AVGGAQKUPODWBS-UHFFFAOYSA-N	0	0	585.617	3.474	50	0		KGAARN
COc1ccc(S(=O)(=O)N2CCc3cc(OC)c(OC)cc3C2)cc1N1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1	ZINC000103336885	555361296	/nfs/dbraw/zinc/36/12/96/555361296.db2.gz	VBPUQKKLHDCQMY-UHFFFAOYSA-N	0	0	623.700	3.249	50	0		KGAARN
CCNC(=S)N(CCN1CCOCC1)Cc1cnc(S(=O)(=O)Cc2ccccc2C)n1Cc1ccccc1	ZINC000103345848	555362220	/nfs/dbraw/zinc/36/22/20/555362220.db2.gz	TVIHVMPQPHAFOO-UHFFFAOYSA-N	0	0	555.770	3.242	50	0		KGAARN
O=S(=O)(Cc1ccccc1)c1ncc(CN(CCN2CCOCC2)C(=S)NC2CC2)n1Cc1ccccc1	ZINC000103346260	555362255	/nfs/dbraw/zinc/36/22/55/555362255.db2.gz	OAPILZGYCXQTGQ-UHFFFAOYSA-N	0	0	553.754	3.076	50	0		KGAARN
COCCn1c(CN(C[C@@H]2CCCO2)C(=O)c2cccc(F)c2)cnc1S(=O)(=O)Cc1cccc(OC)c1	ZINC000103346673	555362523	/nfs/dbraw/zinc/36/25/23/555362523.db2.gz	WVQZPWVVMZCDEY-VWLOTQADSA-N	0	0	545.633	3.473	50	0		KGAARN
COCCn1c(CN(C[C@H]2CCCO2)C(=O)c2cccc(F)c2)cnc1S(=O)(=O)Cc1cccc(OC)c1	ZINC000103346676	555362509	/nfs/dbraw/zinc/36/25/09/555362509.db2.gz	WVQZPWVVMZCDEY-RUZDIDTESA-N	0	0	545.633	3.473	50	0		KGAARN
O=S(=O)(Cc1ccc(F)cc1)c1ncc(CN(CCN2CCOCC2)C(=S)NC2CC2)n1Cc1ccccc1	ZINC000103346732	555362490	/nfs/dbraw/zinc/36/24/90/555362490.db2.gz	ZPIDGKUNADPFOW-UHFFFAOYSA-N	0	0	571.744	3.216	50	0		KGAARN
O=S(=O)(Cc1ccc(F)cc1)c1ncc(CN(C[C@@H]2CCCO2)C(=S)NC2CC2)n1C[C@@H]1CCCO1	ZINC000103346791	555362514	/nfs/dbraw/zinc/36/25/14/555362514.db2.gz	FCXPINYWDPRGTC-GOTSBHOMSA-N	0	0	536.695	3.193	50	0		KGAARN
O=S(=O)(Cc1ccc(F)cc1)c1ncc(CN(C[C@@H]2CCCO2)C(=S)NC2CC2)n1C[C@H]1CCCO1	ZINC000103346793	555362527	/nfs/dbraw/zinc/36/25/27/555362527.db2.gz	FCXPINYWDPRGTC-XZOQPEGZSA-N	0	0	536.695	3.193	50	0		KGAARN
O=S(=O)(Cc1ccc(F)cc1)c1ncc(CN(C[C@H]2CCCO2)C(=S)NC2CC2)n1C[C@@H]1CCCO1	ZINC000103346796	555362454	/nfs/dbraw/zinc/36/24/54/555362454.db2.gz	FCXPINYWDPRGTC-PKTZIBPZSA-N	0	0	536.695	3.193	50	0		KGAARN
O=S(=O)(Cc1ccc(F)cc1)c1ncc(CN(C[C@H]2CCCO2)C(=S)NC2CC2)n1C[C@H]1CCCO1	ZINC000103346798	555362486	/nfs/dbraw/zinc/36/24/86/555362486.db2.gz	FCXPINYWDPRGTC-DHIUTWEWSA-N	0	0	536.695	3.193	50	0		KGAARN
COCCn1c(CN(CCN2CCOCC2)C(=S)Nc2ccc(OC)cc2)cnc1S(=O)(=O)Cc1cccc(OC)c1	ZINC000103350798	555362831	/nfs/dbraw/zinc/36/28/31/555362831.db2.gz	OOAFYPXMLFTSLS-UHFFFAOYSA-N	0	0	617.794	3.052	50	0		KGAARN
COc1ccc(S(=O)(=O)N(CC(=O)N2CCCN(c3ccc(-c4cccc(OC)c4)nn3)CC2)C[C@@H]2CCCO2)cc1	ZINC000103357189	555364006	/nfs/dbraw/zinc/36/40/06/555364006.db2.gz	MLEYESGZSLMUNB-SANMLTNESA-N	0	0	595.722	3.069	50	0		KGAARN
COc1ccc(S(=O)(=O)N(CC(=O)N2CCCN(c3ccc(-c4cccc(OC)c4)nn3)CC2)C[C@H]2CCCO2)cc1	ZINC000103357191	555364001	/nfs/dbraw/zinc/36/40/01/555364001.db2.gz	MLEYESGZSLMUNB-AREMUKBSSA-N	0	0	595.722	3.069	50	0		KGAARN
CC1(C)O[C@@H]2C[C@@](OCc3ccccc3F)(C(=O)NCCN3CCOCC3)C[C@H](OCc3ccccc3)[C@@H]2O1	ZINC000103369134	555366233	/nfs/dbraw/zinc/36/62/33/555366233.db2.gz	RJCAPDKDUUJBHC-DEJVGURISA-N	0	0	542.648	3.429	50	0		KGAARN
CC1(C)O[C@@H]2C[C@@](OCc3ccccc3F)(C(=O)NCCN3CCOCC3)C[C@@H](OCc3ccccc3)[C@@H]2O1	ZINC000103369136	555366448	/nfs/dbraw/zinc/36/64/48/555366448.db2.gz	RJCAPDKDUUJBHC-KMFVSHEXSA-N	0	0	542.648	3.429	50	0		KGAARN
CC1=C(C(=O)N(C)C)[C@H](c2ccc(C(F)(F)F)cc2)N2C(CC(=O)NCCN3CCOCC3)=CSC2=N1	ZINC000103370832	555366432	/nfs/dbraw/zinc/36/64/32/555366432.db2.gz	XHPRFZJNLAUZCE-QFIPXVFZSA-N	0	0	537.608	3.207	50	0		KGAARN
CC1=C(C(=O)N(C)C)[C@@H](c2ccc(C(F)(F)F)cc2)N2C(CC(=O)NCCN3CCOCC3)=CSC2=N1	ZINC000103370836	555366489	/nfs/dbraw/zinc/36/64/89/555366489.db2.gz	XHPRFZJNLAUZCE-JOCHJYFZSA-N	0	0	537.608	3.207	50	0		KGAARN
COc1ccc(-c2ccc(N3CCN(C(=O)CN(Cc4ccc(F)cc4)C(=O)C4CC4)CC3)nn2)cc1OC	ZINC000103374808	555369816	/nfs/dbraw/zinc/36/98/16/555369816.db2.gz	AWHGBRVLTMNLDH-UHFFFAOYSA-N	0	0	533.604	3.387	50	0		KGAARN
COc1ccc(-c2ccc(N3CCN(C(=O)CN(Cc4ccco4)C(=O)c4ccco4)CC3)nn2)cc1OC	ZINC000103374871	555369737	/nfs/dbraw/zinc/36/97/37/555369737.db2.gz	AAWPDWWIAITPOJ-UHFFFAOYSA-N	0	0	531.569	3.338	50	0		KGAARN
COCCN(CC(=O)N1CCCN(c2ccc(-c3ccc(C)cc3)nn2)CC1)S(=O)(=O)c1ccc(C)cc1	ZINC000103375838	555369843	/nfs/dbraw/zinc/36/98/43/555369843.db2.gz	SORIEWSPTANYDP-UHFFFAOYSA-N	0	0	537.686	3.136	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(S(=O)(=O)c3ccc(C)cc3)[C@H](C)C2)N(C)C(=O)N[C@@H]1c1ccc(F)cc1	ZINC000103377116	555370113	/nfs/dbraw/zinc/37/01/13/555370113.db2.gz	ADYWHAHMEIHLHV-KBMIEXCESA-N	0	0	544.649	3.042	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(S(=O)(=O)c3ccc(C)cc3)[C@H](C)C2)N(C)C(=O)N[C@H]1c1ccc(F)cc1	ZINC000103377119	555370090	/nfs/dbraw/zinc/37/00/90/555370090.db2.gz	ADYWHAHMEIHLHV-CLOONOSVSA-N	0	0	544.649	3.042	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(S(=O)(=O)c3ccccc3)[C@H](C)C2)N(CC)C(=O)N[C@H]1c1cccc(C)c1	ZINC000103381434	555371768	/nfs/dbraw/zinc/37/17/68/555371768.db2.gz	GHJKWPGVGZWJJL-RLWLMLJZSA-N	0	0	540.686	3.293	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(S(=O)(=O)c3ccccc3)[C@H](C)C2)N(CC)C(=O)N[C@@H]1c1cccc(C)c1	ZINC000103381437	555371714	/nfs/dbraw/zinc/37/17/14/555371714.db2.gz	GHJKWPGVGZWJJL-QFQXNSOFSA-N	0	0	540.686	3.293	50	0		KGAARN
COCCn1c(CN(CCN2CCOCC2)C(=S)Nc2ccc(F)cc2)cnc1S(=O)(=O)Cc1cccc(OC)c1	ZINC000103382071	555372074	/nfs/dbraw/zinc/37/20/74/555372074.db2.gz	LDVQOBNBKFOOLF-UHFFFAOYSA-N	0	0	605.758	3.182	50	0		KGAARN
COCCN(CC(=O)N1CCN(c2ccc(-c3ccc(OC)cc3OC)nn2)CC1)C(=O)c1ccccc1Cl	ZINC000103389927	555375613	/nfs/dbraw/zinc/37/56/13/555375613.db2.gz	CSMSSKGSELRMGB-UHFFFAOYSA-N	0	0	554.047	3.252	50	0		KGAARN
COCCN(CC(=O)N1CCN(c2ccc(-c3ccc(OC)c(OC)c3)nn2)CC1)C(=O)c1ccc(Cl)cc1	ZINC000103390060	555375667	/nfs/dbraw/zinc/37/56/67/555375667.db2.gz	HTWLXWCFHRBWAX-UHFFFAOYSA-N	0	0	554.047	3.252	50	0		KGAARN
Cc1ccc(-c2ccc(N3CCN(C(=O)CN(C[C@@H]4CCCO4)C(=O)c4ccc5c(c4)OCO5)CC3)nn2)cc1	ZINC000103390168	555375980	/nfs/dbraw/zinc/37/59/80/555375980.db2.gz	MLAATJBIHZQWED-DEOSSOPVSA-N	0	0	543.624	3.151	50	0		KGAARN
Cc1ccc(-c2ccc(N3CCN(C(=O)CN(C[C@H]4CCCO4)C(=O)c4ccc5c(c4)OCO5)CC3)nn2)cc1	ZINC000103390170	555376031	/nfs/dbraw/zinc/37/60/31/555376031.db2.gz	MLAATJBIHZQWED-XMMPIXPASA-N	0	0	543.624	3.151	50	0		KGAARN
COCCOC(=O)C1=C(C)N=C2SC=C(CC(=O)N3CCN(C(C)=O)CC3)N2[C@H]1c1ccccc1Cl	ZINC000103393578	555377449	/nfs/dbraw/zinc/37/74/49/555377449.db2.gz	ITDPAUVMWUNJPE-QHCPKHFHSA-N	0	0	533.050	3.185	50	0		KGAARN
COCCOC(=O)C1=C(C)N=C2SC=C(CC(=O)N3CCN(C(C)=O)CC3)N2[C@@H]1c1ccccc1Cl	ZINC000103393579	555377507	/nfs/dbraw/zinc/37/75/07/555377507.db2.gz	ITDPAUVMWUNJPE-HSZRJFAPSA-N	0	0	533.050	3.185	50	0		KGAARN
CC(C)(C)NC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2ccc(F)cc2)C[C@H]1c1ccc2c(c1)OCO2	ZINC000103394740	555379208	/nfs/dbraw/zinc/37/92/08/555379208.db2.gz	NNYOZGCECLVZGK-DEOSSOPVSA-N	0	0	553.635	3.374	50	0		KGAARN
CC(C)(C)NC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2ccc(F)cc2)C[C@@H]1c1ccc2c(c1)OCO2	ZINC000103394743	555379268	/nfs/dbraw/zinc/37/92/68/555379268.db2.gz	NNYOZGCECLVZGK-XMMPIXPASA-N	0	0	553.635	3.374	50	0		KGAARN
COCC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2ccccc2Cl)C[C@H]1c1ccccc1Cl	ZINC000103394764	555379653	/nfs/dbraw/zinc/37/96/53/555379653.db2.gz	OVDFDKLKGYSYBU-DEOSSOPVSA-N	0	0	533.456	3.478	50	0		KGAARN
COCC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2ccccc2Cl)C[C@@H]1c1ccccc1Cl	ZINC000103394765	555379528	/nfs/dbraw/zinc/37/95/28/555379528.db2.gz	OVDFDKLKGYSYBU-XMMPIXPASA-N	0	0	533.456	3.478	50	0		KGAARN
COc1ccc(C2=NN(C(=O)CN(CCN3CCOCC3)C(=O)C(C)C)[C@H](c3ccc(F)cc3)C2)c(OC)c1	ZINC000103395382	555380155	/nfs/dbraw/zinc/38/01/55/555380155.db2.gz	JWSKRZDUUFBUGD-SANMLTNESA-N	0	0	540.636	3.337	50	0		KGAARN
COc1ccc(C2=NN(C(=O)CN(CCN3CCOCC3)C(=O)C(C)C)[C@@H](c3ccc(F)cc3)C2)c(OC)c1	ZINC000103395386	555380239	/nfs/dbraw/zinc/38/02/39/555380239.db2.gz	JWSKRZDUUFBUGD-AREMUKBSSA-N	0	0	540.636	3.337	50	0		KGAARN
COc1ccc(C2=NN(C(=O)CN(CCN3CCOCC3)C(=O)NC(C)C)[C@H](c3ccc(F)cc3)C2)c(OC)c1	ZINC000103395513	555380468	/nfs/dbraw/zinc/38/04/68/555380468.db2.gz	SWFXCLRWAGNOQL-SANMLTNESA-N	0	0	555.651	3.273	50	0		KGAARN
COc1ccc(C2=NN(C(=O)CN(CCN3CCOCC3)C(=O)NC(C)C)[C@@H](c3ccc(F)cc3)C2)c(OC)c1	ZINC000103395520	555380478	/nfs/dbraw/zinc/38/04/78/555380478.db2.gz	SWFXCLRWAGNOQL-AREMUKBSSA-N	0	0	555.651	3.273	50	0		KGAARN
COc1ccc(C2=NN(C(=O)CN(CCN3CCOCC3)C(=O)C3CC3)[C@H](c3ccc(F)cc3)C2)c(OC)c1	ZINC000103395554	555380513	/nfs/dbraw/zinc/38/05/13/555380513.db2.gz	ODMYJLDGOUOGDP-SANMLTNESA-N	0	0	538.620	3.091	50	0		KGAARN
COc1ccc(C2=NN(C(=O)CN(CCN3CCOCC3)C(=O)C3CC3)[C@@H](c3ccc(F)cc3)C2)c(OC)c1	ZINC000103395558	555380544	/nfs/dbraw/zinc/38/05/44/555380544.db2.gz	ODMYJLDGOUOGDP-AREMUKBSSA-N	0	0	538.620	3.091	50	0		KGAARN
COc1ccc([C@@H]2CC(c3cccs3)=NN2C(=O)CN(CCN2CCOCC2)C(=O)C2CCC2)cc1OC	ZINC000103397387	555383304	/nfs/dbraw/zinc/38/33/04/555383304.db2.gz	HFKJXDLQSFVGOM-QHCPKHFHSA-N	0	0	540.686	3.404	50	0		KGAARN
COc1ccc([C@H]2CC(c3cccs3)=NN2C(=O)CN(CCN2CCOCC2)C(=O)C2CCC2)cc1OC	ZINC000103397390	555383315	/nfs/dbraw/zinc/38/33/15/555383315.db2.gz	HFKJXDLQSFVGOM-HSZRJFAPSA-N	0	0	540.686	3.404	50	0		KGAARN
COCCN(CC(=O)N1CCCN(c2ccc(-c3ccc(OC)c(OC)c3)nn2)CC1)C(=O)c1cccc(F)c1	ZINC000103398980	555385528	/nfs/dbraw/zinc/38/55/28/555385528.db2.gz	GFNIKCMMZDQAQU-UHFFFAOYSA-N	0	0	551.619	3.127	50	0		KGAARN
COc1ccc(C2=NN(C(=O)CN(CCN3CCOCC3)C(=O)c3ccco3)[C@H](c3cc(OC)ccc3OC)C2)cc1	ZINC000103399914	555385841	/nfs/dbraw/zinc/38/58/41/555385841.db2.gz	SNPXGSUJNPONKM-MHZLTWQESA-N	0	0	576.650	3.458	50	0		KGAARN
COc1ccc(C2=NN(C(=O)CN(CCN3CCOCC3)C(=O)c3ccco3)[C@@H](c3cc(OC)ccc3OC)C2)cc1	ZINC000103399916	555385788	/nfs/dbraw/zinc/38/57/88/555385788.db2.gz	SNPXGSUJNPONKM-HHHXNRCGSA-N	0	0	576.650	3.458	50	0		KGAARN
COc1ccc(C2=NN(C(=O)CN(CCN3CCOCC3)C(=O)C(C)C)[C@H](c3cc(OC)ccc3OC)C2)cc1	ZINC000103399973	555386044	/nfs/dbraw/zinc/38/60/44/555386044.db2.gz	ASXSTZYJVVHRBK-MHZLTWQESA-N	0	0	552.672	3.207	50	0		KGAARN
COc1ccc(C2=NN(C(=O)CN(CCN3CCOCC3)C(=O)C(C)C)[C@@H](c3cc(OC)ccc3OC)C2)cc1	ZINC000103399974	555386075	/nfs/dbraw/zinc/38/60/75/555386075.db2.gz	ASXSTZYJVVHRBK-HHHXNRCGSA-N	0	0	552.672	3.207	50	0		KGAARN
COc1ccc(C2=NN(C(=O)CN(CCN3CCOCC3)C(=O)c3ccco3)[C@H](c3ccc(OC)c(OC)c3)C2)cc1	ZINC000103399984	555386091	/nfs/dbraw/zinc/38/60/91/555386091.db2.gz	NPTRXQZQCMYVRL-SANMLTNESA-N	0	0	576.650	3.458	50	0		KGAARN
COc1ccc(C2=NN(C(=O)CN(CCN3CCOCC3)C(=O)c3ccco3)[C@@H](c3ccc(OC)c(OC)c3)C2)cc1	ZINC000103399986	555386018	/nfs/dbraw/zinc/38/60/18/555386018.db2.gz	NPTRXQZQCMYVRL-AREMUKBSSA-N	0	0	576.650	3.458	50	0		KGAARN
COc1ccc(C2=NN(C(=O)CN(CCN3CCOCC3)C(=O)C3CCC3)[C@H](c3cc(OC)ccc3OC)C2)cc1	ZINC000103400015	555386109	/nfs/dbraw/zinc/38/61/09/555386109.db2.gz	DIKRKLYJTLFYEP-NDEPHWFRSA-N	0	0	564.683	3.351	50	0		KGAARN
COc1ccc(C2=NN(C(=O)CN(CCN3CCOCC3)C(=O)C3CCC3)[C@@H](c3cc(OC)ccc3OC)C2)cc1	ZINC000103400019	555386024	/nfs/dbraw/zinc/38/60/24/555386024.db2.gz	DIKRKLYJTLFYEP-MUUNZHRXSA-N	0	0	564.683	3.351	50	0		KGAARN
COc1ccc(C2=NN(C(=O)CN(CCN3CCOCC3)C(=O)NC(C)C)[C@H](c3cc(OC)ccc3OC)C2)cc1	ZINC000103400089	555386421	/nfs/dbraw/zinc/38/64/21/555386421.db2.gz	SHRPOZCIFQOKJK-MHZLTWQESA-N	0	0	567.687	3.142	50	0		KGAARN
COc1ccc(C2=NN(C(=O)CN(CCN3CCOCC3)C(=O)NC(C)C)[C@@H](c3cc(OC)ccc3OC)C2)cc1	ZINC000103400092	555386376	/nfs/dbraw/zinc/38/63/76/555386376.db2.gz	SHRPOZCIFQOKJK-HHHXNRCGSA-N	0	0	567.687	3.142	50	0		KGAARN
COCCN(CCC(=O)N1CCN(C(C)=O)CC1)C(=O)c1csc(Nc2cc(Cl)ccc2Cl)n1	ZINC000103402558	555388491	/nfs/dbraw/zinc/38/84/91/555388491.db2.gz	JPHBTDNIPYBUHS-UHFFFAOYSA-N	0	0	528.462	3.363	50	0		KGAARN
COCCn1c(CN(CCN2CCOCC2)C(=S)Nc2ccc(OC)cc2)cnc1S(=O)(=O)Cc1ccccc1	ZINC000103403267	555389302	/nfs/dbraw/zinc/38/93/02/555389302.db2.gz	BXOCXKOKKMRSSX-UHFFFAOYSA-N	0	0	587.768	3.043	50	0		KGAARN
Cc1ccc(CS(=O)(=O)c2ncc(CN(CCN3CCOCC3)C(=O)NC(C)C)n2Cc2ccccc2)cc1	ZINC000103403510	555389644	/nfs/dbraw/zinc/38/96/44/555389644.db2.gz	RHGDJOPLCGJOHP-UHFFFAOYSA-N	0	0	553.729	3.466	50	0		KGAARN
COc1ccc(-c2ccc(N3CCN(C(=O)CN(C[C@@H]4CCCO4)C(=O)c4ccccc4C)CC3)nn2)cc1OC	ZINC000103403657	555389688	/nfs/dbraw/zinc/38/96/88/555389688.db2.gz	PYAWTOJRKGROGT-DEOSSOPVSA-N	0	0	559.667	3.439	50	0		KGAARN
COc1ccc(-c2ccc(N3CCN(C(=O)CN(C[C@H]4CCCO4)C(=O)c4ccccc4C)CC3)nn2)cc1OC	ZINC000103403659	555389649	/nfs/dbraw/zinc/38/96/49/555389649.db2.gz	PYAWTOJRKGROGT-XMMPIXPASA-N	0	0	559.667	3.439	50	0		KGAARN
Cc1cc(N2CCN(Cc3ccc4c(c3)OCO4)CC2)nc(SCc2ccc(C(=O)N3CCN(C)CC3)o2)n1	ZINC000103403845	555389846	/nfs/dbraw/zinc/38/98/46/555389846.db2.gz	CZFUHONFOAMETM-UHFFFAOYSA-N	0	0	550.685	3.109	50	0		KGAARN
COc1ccc(-c2ccc(N3CCCN(C(=O)CN(C(=O)c4ccc5c(c4)OCO5)C(C)C)CC3)nn2)cc1OC	ZINC000103405915	555392457	/nfs/dbraw/zinc/39/24/57/555392457.db2.gz	VZCOKJVXGGVUEL-UHFFFAOYSA-N	0	0	561.639	3.479	50	0		KGAARN
COc1ccc(C(=O)N2CCC3(CC2)OC[C@@H](C(=O)NCc2cccnc2)N3C(=O)c2ccccc2C)cc1OC	ZINC000103406256	555392342	/nfs/dbraw/zinc/39/23/42/555392342.db2.gz	BQJZCFNJGFSOST-VWLOTQADSA-N	0	0	558.635	3.197	50	0		KGAARN
COc1ccc(C(=O)N2CCC3(CC2)OC[C@H](C(=O)NCc2cccnc2)N3C(=O)c2ccccc2C)cc1OC	ZINC000103406261	555392592	/nfs/dbraw/zinc/39/25/92/555392592.db2.gz	BQJZCFNJGFSOST-RUZDIDTESA-N	0	0	558.635	3.197	50	0		KGAARN
COc1ccc(-c2ccc(N3CCN(C(=O)CN(Cc4ccc5c(c4)OCO5)C(=O)c4ccco4)CC3)nn2)cc1	ZINC000103406866	555392672	/nfs/dbraw/zinc/39/26/72/555392672.db2.gz	JNZHUNZHZWEUIQ-UHFFFAOYSA-N	0	0	555.591	3.465	50	0		KGAARN
COc1ccc(C(=O)N(CCN2CCOCC2)Cc2cnc(S(=O)(=O)Cc3ccc(F)cc3)n2C[C@@H]2CCCO2)cc1	ZINC000103407331	555393159	/nfs/dbraw/zinc/39/31/59/555393159.db2.gz	FTHZMILUAGGYOI-NDEPHWFRSA-N	0	0	600.713	3.158	50	0		KGAARN
COc1ccc(C(=O)N(CCN2CCOCC2)Cc2cnc(S(=O)(=O)Cc3ccc(F)cc3)n2C[C@H]2CCCO2)cc1	ZINC000103407333	555393225	/nfs/dbraw/zinc/39/32/25/555393225.db2.gz	FTHZMILUAGGYOI-MUUNZHRXSA-N	0	0	600.713	3.158	50	0		KGAARN
COc1ccc(-c2ccc(N3CCN(C(=O)CN(C[C@@H]4CCCO4)C(=O)c4cccs4)CC3)nn2)cc1OC	ZINC000103407417	555393249	/nfs/dbraw/zinc/39/32/49/555393249.db2.gz	PMZJQHOANCDZIP-NRFANRHFSA-N	0	0	551.669	3.192	50	0		KGAARN
COc1ccc(-c2ccc(N3CCN(C(=O)CN(C[C@H]4CCCO4)C(=O)c4cccs4)CC3)nn2)cc1OC	ZINC000103407419	555393257	/nfs/dbraw/zinc/39/32/57/555393257.db2.gz	PMZJQHOANCDZIP-OAQYLSRUSA-N	0	0	551.669	3.192	50	0		KGAARN
COc1ccc(-c2ccc(N3CCN(C(=O)CN(C[C@@H]4CCCO4)C(=O)c4ccccc4F)CC3)nn2)cc1OC	ZINC000103407441	555393174	/nfs/dbraw/zinc/39/31/74/555393174.db2.gz	ZWIDGBVUUJLTKD-QFIPXVFZSA-N	0	0	563.630	3.270	50	0		KGAARN
COc1ccc(-c2ccc(N3CCN(C(=O)CN(C[C@H]4CCCO4)C(=O)c4ccccc4F)CC3)nn2)cc1OC	ZINC000103407444	555393164	/nfs/dbraw/zinc/39/31/64/555393164.db2.gz	ZWIDGBVUUJLTKD-JOCHJYFZSA-N	0	0	563.630	3.270	50	0		KGAARN
CCOC(=O)C1=C(CN2CCCN(C(=O)c3ccccc3F)CC2)N(C)C(=O)N[C@@H]1c1cccc(OC)c1OC	ZINC000103409049	555395098	/nfs/dbraw/zinc/39/50/98/555395098.db2.gz	ADPSWXAMMKHZPE-RUZDIDTESA-N	0	0	554.619	3.204	50	0		KGAARN
CCOC(=O)C1=C(CN2CCCN(C(=O)c3ccccc3F)CC2)N(C)C(=O)N[C@H]1c1cccc(OC)c1OC	ZINC000103409052	555395023	/nfs/dbraw/zinc/39/50/23/555395023.db2.gz	ADPSWXAMMKHZPE-VWLOTQADSA-N	0	0	554.619	3.204	50	0		KGAARN
COCCN(Cc1cnc(S(=O)(=O)Cc2ccc(F)cc2)n1C(C)C)S(=O)(=O)c1ccc(OC)cc1	ZINC000103410803	555396628	/nfs/dbraw/zinc/39/66/28/555396628.db2.gz	RLFIIVBIBZLDRK-UHFFFAOYSA-N	0	0	539.651	3.423	50	0		KGAARN
COc1ccc([C@@H]2CC(c3cccs3)=NN2C(=O)CN(CCN2CCOCC2)C(=O)NC(C)C)cc1OC	ZINC000103416263	555397859	/nfs/dbraw/zinc/39/78/59/555397859.db2.gz	GNIBPGHHDBIAJB-QFIPXVFZSA-N	0	0	543.690	3.195	50	0		KGAARN
COc1ccc([C@H]2CC(c3cccs3)=NN2C(=O)CN(CCN2CCOCC2)C(=O)NC(C)C)cc1OC	ZINC000103416265	555397916	/nfs/dbraw/zinc/39/79/16/555397916.db2.gz	GNIBPGHHDBIAJB-JOCHJYFZSA-N	0	0	543.690	3.195	50	0		KGAARN
COc1ccc(S(=O)(=O)NCCc2ccc(F)cc2)cc1N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1	ZINC000103422285	555403157	/nfs/dbraw/zinc/40/31/57/555403157.db2.gz	YDXVJXFOVWIYNQ-UHFFFAOYSA-N	0	0	569.627	3.144	50	0		KGAARN
COc1ccc(S(=O)(=O)N(C)CCc2ccccc2)cc1N1CCN(S(=O)(=O)c2ccccc2F)CC1	ZINC000103422304	555403097	/nfs/dbraw/zinc/40/30/97/555403097.db2.gz	WIOQEMOQHPAEFX-UHFFFAOYSA-N	0	0	547.674	3.208	50	0		KGAARN
COc1ccc(S(=O)(=O)N(C)CCc2ccccc2)cc1N1CCN(S(=O)(=O)c2cccc(C)c2)CC1	ZINC000103422361	555403068	/nfs/dbraw/zinc/40/30/68/555403068.db2.gz	UXMYOWJLXAVNEO-UHFFFAOYSA-N	0	0	543.711	3.378	50	0		KGAARN
Cc1ccc(NC(=O)N(CCN2CCOCC2)CC(=O)N2CCCN(c3ccc(-c4ccc(F)cc4)nn3)CC2)cc1	ZINC000103430986	555413177	/nfs/dbraw/zinc/41/31/77/555413177.db2.gz	QHXVRQUINZSQSA-UHFFFAOYSA-N	0	0	575.689	3.496	50	0		KGAARN
COc1ccc(CCN(C)S(=O)(=O)c2ccc(OC)c(N3CCN(C(=O)C(F)(F)C(F)F)CC3)c2)cc1OC	ZINC000103435734	555417956	/nfs/dbraw/zinc/41/79/56/555417956.db2.gz	NDLWLAQBJCHNNJ-UHFFFAOYSA-N	0	0	577.597	3.125	50	0		KGAARN
COc1ccc(N(C)S(=O)(=O)c2ccc(OC)c(N3CCN(C(=O)[C@@H](OC(C)=O)c4ccccc4)CC3)c2)cc1	ZINC000103439598	555419486	/nfs/dbraw/zinc/41/94/86/555419486.db2.gz	AGTCGTULKAEFNH-NDEPHWFRSA-N	0	0	567.664	3.482	50	0		KGAARN
COc1ccc(N(C)S(=O)(=O)c2ccc(OC)c(N3CCN(C(=O)[C@H](OC(C)=O)c4ccccc4)CC3)c2)cc1	ZINC000103439602	555419473	/nfs/dbraw/zinc/41/94/73/555419473.db2.gz	AGTCGTULKAEFNH-MUUNZHRXSA-N	0	0	567.664	3.482	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3OC)c(=O)n2[C@@H]1c1ccc(OC)c(OCC)c1	ZINC000103504549	1060059366	/nfs/dbraw/zinc/05/93/66/1060059366.db2.gz	GIZHPJGZTBDXJA-DLBLZJNESA-N	0	0	508.596	3.214	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3OC)c(=O)n2[C@H]1c1ccc(OC)c(OCC)c1	ZINC000103504553	1060059347	/nfs/dbraw/zinc/05/93/47/1060059347.db2.gz	GIZHPJGZTBDXJA-FCKOQQNDSA-N	0	0	508.596	3.214	50	0		KGAARN
COC(=O)c1ccccc1N1C(=O)[C@H]2C(=C(C(=O)c3ccc(OC)cc3)N3N=Cc4ccccc4[C@H]23)C1O	ZINC000103512985	555422334	/nfs/dbraw/zinc/42/23/34/555422334.db2.gz	AANUQHGLJCTRSU-LIONHTAISA-N	0	0	509.518	3.243	50	0		KGAARN
COC(=O)c1ccccc1N1C(=O)[C@H]2C(=C(C(=O)c3ccc(OC)cc3)N3N=Cc4ccccc4[C@H]23)C1O	ZINC000103512987	555422691	/nfs/dbraw/zinc/42/26/91/555422691.db2.gz	AANUQHGLJCTRSU-ZYQDXHPFSA-N	0	0	509.518	3.243	50	0		KGAARN
COc1ccc(C(=O)C2=C3C(O)N(c4ccc5c(c4)OCCO5)C(=O)[C@@H]3[C@H]3c4ccccc4C=NN23)cc1	ZINC000103535490	555435142	/nfs/dbraw/zinc/43/51/42/555435142.db2.gz	FPVBIUUXEHHGPU-QUMGSSFMSA-N	0	0	509.518	3.228	50	0		KGAARN
CCn1cc(C(=O)NCc2ccncc2)c(=O)c2cc(F)c(N3CCN(C(=O)c4cc(OC)c(OC)c(OC)c4)CC3)cc21	ZINC000103562624	555449507	/nfs/dbraw/zinc/44/95/07/555449507.db2.gz	GSPJSDYYRHALQQ-UHFFFAOYSA-N	0	0	603.651	3.474	50	0		KGAARN
COc1cc2ccnc(Cc3cc(OC)c(OC)cc3NS(=O)(=O)c3ccc4c(c3)n(C)c(=O)n(C)c4=O)c2cc1OC	ZINC000103563243	555450117	/nfs/dbraw/zinc/45/01/17/555450117.db2.gz	LFTBCCULAIBAGC-UHFFFAOYSA-N	0	0	606.657	3.211	50	0		KGAARN
O=C(NC12CC3CC(CC(C3)C1)C2)c1nnn2c1Sc1c(C(=O)NC34CC5CC(CC(C5)C3)C4)nnn1CC2	ZINC000103582934	555451506	/nfs/dbraw/zinc/45/15/06/555451506.db2.gz	QIYKSHCZXNYEEX-UHFFFAOYSA-N	0	0	548.717	3.432	50	0		KGAARN
Cc1sc2ncn(CC(=O)N[C@@H]3CCC[C@H](C)[C@@H]3C)c(=O)c2c1S(=O)(=O)N1C[C@H](C)C[C@@H](C)C1	ZINC000103589637	555452420	/nfs/dbraw/zinc/45/24/20/555452420.db2.gz	ZQYIYROGKDLTEP-QLCXLMDBSA-N	0	0	508.710	3.374	50	0		KGAARN
Cc1sc2ncn(CC(=O)N[C@@H]3CCC[C@H](C)[C@@H]3C)c(=O)c2c1S(=O)(=O)N1C[C@@H](C)C[C@H](C)C1	ZINC000103589640	555452476	/nfs/dbraw/zinc/45/24/76/555452476.db2.gz	ZQYIYROGKDLTEP-BRFLTPSNSA-N	0	0	508.710	3.374	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(O)c(Br)c3)c(=O)n2[C@@H]1c1cc(OC)ccc1OC	ZINC000103593124	555452725	/nfs/dbraw/zinc/45/27/25/555452725.db2.gz	UQNMAKXLHPFZFP-VMOHIOPYSA-N	0	0	559.438	3.284	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(O)c(Br)c3)c(=O)n2[C@H]1c1cc(OC)ccc1OC	ZINC000103593127	555452735	/nfs/dbraw/zinc/45/27/35/555452735.db2.gz	UQNMAKXLHPFZFP-IYMWYRQMSA-N	0	0	559.438	3.284	50	0		KGAARN
COc1ccc([C@@H]2[NH2+][C@](Cc3ccccc3)(C(=O)[O-])[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@H]23)c(OC)c1OC	ZINC000103595202	555452948	/nfs/dbraw/zinc/45/29/48/555452948.db2.gz	HXJVOVUNGVMDGD-OJNHJINQSA-N	0	0	534.540	3.368	50	0		KGAARN
COc1ccc([C@@H]2[NH2+][C@](Cc3ccccc3)(C(=O)[O-])[C@H]3C(=O)N(c4ccccc4OC)C(=O)[C@H]23)c(OC)c1	ZINC000103600688	555454061	/nfs/dbraw/zinc/45/40/61/555454061.db2.gz	DEUAGWIKHKNXBA-JLMYGFKKSA-N	0	0	516.550	3.229	50	0		KGAARN
COc1ccc([C@@H]2[NH2+][C@](Cc3ccccc3)(C(=O)[O-])[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@H]23)c(OC)c1	ZINC000103600701	555454387	/nfs/dbraw/zinc/45/43/87/555454387.db2.gz	KJKSCFDLJSDJAM-IMBSWCNGSA-N	0	0	504.514	3.359	50	0		KGAARN
COc1ccc([C@@H]2[NH2+][C@](Cc3ccccc3)(C(=O)[O-])[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@H]23)cc1OC	ZINC000103601037	555454419	/nfs/dbraw/zinc/45/44/19/555454419.db2.gz	NBBGGRUKOQSQIY-IMBSWCNGSA-N	0	0	504.514	3.359	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc4c(cc3Cl)OCO4)c(=O)n2[C@@H]1c1ccccc1OC	ZINC000103602446	1060059274	/nfs/dbraw/zinc/05/92/74/1060059274.db2.gz	YOMIMWXFNYCXMY-HSELDNCXSA-N	0	0	512.971	3.189	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc4c(cc3Cl)OCO4)c(=O)n2[C@H]1c1ccccc1OC	ZINC000103602449	1060059295	/nfs/dbraw/zinc/05/92/95/1060059295.db2.gz	YOMIMWXFNYCXMY-OFHGOEMBSA-N	0	0	512.971	3.189	50	0		KGAARN
CCn1cc(C(=O)NC[C@H]2COc3ccccc3O2)c(=O)c2cc(S(=O)(=O)N3C[C@H](C)C[C@H](C)C3)ccc21	ZINC000103627509	555457683	/nfs/dbraw/zinc/45/76/83/555457683.db2.gz	YYQGLJQDXAUSBR-ZCNNSNEGSA-N	0	0	539.654	3.258	50	0		KGAARN
CCOC(=O)C1=c2sc(=Cc3ccc(C)cc3)c(=O)n2C(=N)C(S(=O)(=O)c2ccccc2)[C@@H]1c1ccc(C)cc1	ZINC000103634373	555459836	/nfs/dbraw/zinc/45/98/36/555459836.db2.gz	GOPJXWHWLXBUFC-GBOLQPHISA-N	0	0	572.708	3.425	50	0		KGAARN
CCOC(=O)C1=c2sc(=Cc3ccc(C)cc3)c(=O)n2C(=N)C(S(=O)(=O)c2ccccc2)[C@H]1c1ccc(C)cc1	ZINC000103634379	555459833	/nfs/dbraw/zinc/45/98/33/555459833.db2.gz	GOPJXWHWLXBUFC-GRBCXPRBSA-N	0	0	572.708	3.425	50	0		KGAARN
COc1ccccc1N1C(=O)[C@@H]2[C@H](c3ccco3)N3[C@@H]4C(=O)N(c5ccccc5OC)C(=O)[C@@H]4[C@H](c4ccco4)N3[C@H]2C1=O	ZINC000103637216	555460187	/nfs/dbraw/zinc/46/01/87/555460187.db2.gz	PYQSMNSSVLWBTE-NUFRCSJQSA-N	0	0	594.580	3.335	50	0		KGAARN
C[C@H](CCc1ccccc1)NC(=O)CN1C(=O)COc2ccc(S(=O)(=O)N3C[C@H](C)C[C@H](C)C3)cc21	ZINC000103652468	555461291	/nfs/dbraw/zinc/46/12/91/555461291.db2.gz	JXPZISJBRIFUOZ-QHAWAJNXSA-N	0	0	513.660	3.216	50	0		KGAARN
CCOC(=O)[C@@H]1[C@H](c2ccc(OC)cc2)[C@]2(C(=O)NC(=O)N(Cc3ccccc3)C2=O)[C@H]2c3ccccc3C=NN21	ZINC000103679988	555462286	/nfs/dbraw/zinc/46/22/86/555462286.db2.gz	ZOEQKGZZYIVJKO-PZTYDPALSA-N	0	0	552.587	3.380	50	0		KGAARN
COc1cc(/C=C2\SC(=O)N(CC(=O)N3CCOCC3)C2=O)ccc1OCC(=O)Nc1ccc(C)c(C)c1	ZINC000103695646	555463652	/nfs/dbraw/zinc/46/36/52/555463652.db2.gz	QJRRVOAVHRKXDU-UCQKPKSFSA-N	0	0	539.610	3.225	50	0		KGAARN
COc1cc(/C=C2\N=C(SCC(=O)NCCc3ccc(S(N)(=O)=O)cc3)N(c3ccccc3)C2=O)cc(OC)c1OC	ZINC000103702425	555464077	/nfs/dbraw/zinc/46/40/77/555464077.db2.gz	MOCFZRDEZIFEOG-HAHDFKILSA-N	0	0	610.714	3.196	50	0		KGAARN
CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(N4CCN(C)CC4)o3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1	ZINC000103708816	555464557	/nfs/dbraw/zinc/46/45/57/555464557.db2.gz	PHASNDXPRPAAGY-LULHQEEUSA-N	0	0	614.724	3.298	50	0		KGAARN
CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(N4CCN(C)CC4)o3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1	ZINC000103708821	555464591	/nfs/dbraw/zinc/46/45/91/555464591.db2.gz	PHASNDXPRPAAGY-GDZDTEGPSA-N	0	0	614.724	3.298	50	0		KGAARN
CCOC(=O)Cc1csc(NC(=O)CSc2nnc(SCC(=O)Nc3ncc(CC(=O)OCC)s3)s2)n1	ZINC000103716495	1059085134	/nfs/dbraw/zinc/08/51/34/1059085134.db2.gz	PXUFVOIJPDLJBM-UHFFFAOYSA-N	0	0	602.767	3.124	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(O)c(OC)c3)c(=O)n2[C@@H]1c1ccc(Br)cc1	ZINC000103726068	555465317	/nfs/dbraw/zinc/46/53/17/555465317.db2.gz	QSWULSJMVNJGKQ-PRWBYUBPSA-N	0	0	529.412	3.275	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(O)c(OC)c3)c(=O)n2[C@H]1c1ccc(Br)cc1	ZINC000103726074	555465255	/nfs/dbraw/zinc/46/52/55/555465255.db2.gz	QSWULSJMVNJGKQ-SRKIZSPNSA-N	0	0	529.412	3.275	50	0		KGAARN
CCOC(=O)COc1c(I)cc(/C=C2/N=C(C)OC2=O)cc1I	ZINC000103729486	555465561	/nfs/dbraw/zinc/46/55/61/555465561.db2.gz	CTDLGFHEAGNMPE-WUXMJOGZSA-N	0	0	541.079	3.154	50	0		KGAARN
CC(=O)OC[C@H]1O[C@@H](Oc2c3c(cc4c5c(c(=O)oc42)CCCC5)CCC(C)(C)O3)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000103789564	555479326	/nfs/dbraw/zinc/47/93/26/555479326.db2.gz	POHILRBLNVCIBA-GUETVAHCSA-N	0	0	630.643	3.237	50	0		KGAARN
CC(=O)OC[C@H]1O[C@@H](Oc2c3c(cc4c5c(c(=O)oc42)CCCC5)CCC(C)(C)O3)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000103868598	571368087	/nfs/dbraw/zinc/36/80/87/571368087.db2.gz	POHILRBLNVCIBA-DEFVWJLVSA-N	0	0	630.643	3.237	50	0		KGAARN
COc1ccc(Br)cc1CNC(=O)[C@@H]1CCCN(S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)C1	ZINC000103889563	562825074	/nfs/dbraw/zinc/82/50/74/562825074.db2.gz	JZOKEEYHRYFDNI-YESZJQIVSA-N	0	0	502.475	3.009	50	0		KGAARN
CN1C(=O)N(C)[C@@]2(c3ccccc3)N=c3s/c(=C\c4ccccc4Br)c(=O)n3N[C@@]12c1ccccc1	ZINC000104059768	571372008	/nfs/dbraw/zinc/37/20/08/571372008.db2.gz	UJXGQTSCGXDWSB-NREWAPBFSA-N	0	0	560.477	3.381	50	0		KGAARN
CN1C(=O)N(C)[C@]2(c3ccccc3)Nn3c(=O)/c(=C/c4ccccc4Br)sc3=N[C@@]12c1ccccc1	ZINC000104059773	571372058	/nfs/dbraw/zinc/37/20/58/571372058.db2.gz	UJXGQTSCGXDWSB-LUXHZTLPSA-N	0	0	560.477	3.381	50	0		KGAARN
CCOc1cc(CN2C[C@@H](n3cc(C(=O)OC)nn3)C[C@H]2C(=O)NCc2cccc(C(F)(F)F)c2)ccc1O	ZINC000104073338	1059121251	/nfs/dbraw/zinc/12/12/51/1059121251.db2.gz	BKVWOMYGSZOSRT-FPOVZHCZSA-N	0	0	547.534	3.320	50	0		KGAARN
O=C(COc1ccccc1Cl)c1ccc2c(c1)N(Cc1ccc(C(=O)NCCN3CCOCC3)o1)C(=O)CO2	ZINC000104128330	571374486	/nfs/dbraw/zinc/37/44/86/571374486.db2.gz	CCKSHIHTDQTDLD-UHFFFAOYSA-N	0	0	553.999	3.182	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(I)o3)c(=O)n2[C@@H]1c1cccs1	ZINC000104148223	1060059719	/nfs/dbraw/zinc/05/97/19/1060059719.db2.gz	GBKGCSYLWWLZLS-RCBBPTIPSA-N	0	0	526.377	3.057	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(I)o3)c(=O)n2[C@H]1c1cccs1	ZINC000104148233	1060060193	/nfs/dbraw/zinc/06/01/93/1060060193.db2.gz	GBKGCSYLWWLZLS-OVHOFWQVSA-N	0	0	526.377	3.057	50	0		KGAARN
O=C(COc1ccc(F)cc1)N[C@@H](NC(=S)N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12)C(Cl)(Cl)Cl	ZINC000104150536	571375459	/nfs/dbraw/zinc/37/54/59/571375459.db2.gz	UBWWLOCXAXVXCT-MNVSYLFESA-N	0	0	547.867	3.173	50	0		KGAARN
O=C(COc1ccc(F)cc1)N[C@H](NC(=S)N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12)C(Cl)(Cl)Cl	ZINC000104150540	571375488	/nfs/dbraw/zinc/37/54/88/571375488.db2.gz	UBWWLOCXAXVXCT-LRDNONRASA-N	0	0	547.867	3.173	50	0		KGAARN
Cc1nnc(SCC(=O)NCc2cc(C)c(O)c(C)c2CNC(=O)CSc2nnc(C)s2)s1	ZINC000104156147	571375569	/nfs/dbraw/zinc/37/55/69/571375569.db2.gz	DKFSNIZATDTXAA-UHFFFAOYSA-N	0	0	524.719	3.146	50	0		KGAARN
C[C@H](CNC(=O)[C@@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O)NC(=O)[C@@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O	ZINC000104198925	571376667	/nfs/dbraw/zinc/37/66/67/571376667.db2.gz	IFHJNJXGRVZVHQ-SNKHRSMISA-N	0	0	628.685	3.422	50	0		KGAARN
COc1ccc(OC)c(NC(=O)[C@@H]2[C@@H]3C(=O)N(c4ccc5c(c4)OCO5)C(=O)[C@@H]3[C@H]3C=Cc4ccccc4N32)c1	ZINC000104203099	571376885	/nfs/dbraw/zinc/37/68/85/571376885.db2.gz	OUVMHTRJLYGUCD-YFVWJHKLSA-N	0	0	539.544	3.461	50	0		KGAARN
COc1ccc(C(=O)C2=C3C(O)N(c4cc(OC)ccc4OC)C(=O)[C@@H]3[C@H]3c4ccccc4C=NN23)cc1	ZINC000104207601	571376943	/nfs/dbraw/zinc/37/69/43/571376943.db2.gz	QKHAKCBSXYIUTO-QUMGSSFMSA-N	0	0	511.534	3.474	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCN(C)CC4)o3)c(=O)n2[C@@H]1c1cccc2ccccc21	ZINC000104230636	571377497	/nfs/dbraw/zinc/37/74/97/571377497.db2.gz	YECUKQPCOXNICM-WTDOPDLHSA-N	0	0	542.661	3.296	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCN(C)CC4)o3)c(=O)n2[C@H]1c1cccc2ccccc21	ZINC000104230641	571377533	/nfs/dbraw/zinc/37/75/33/571377533.db2.gz	YECUKQPCOXNICM-OLIAQGHGSA-N	0	0	542.661	3.296	50	0		KGAARN
O=C(COC(=O)[C@H]1Cc2ccccc2CN1S(=O)(=O)c1cccs1)NC(=O)NC12CC3CC(CC(C3)C1)C2	ZINC000104258276	571377997	/nfs/dbraw/zinc/37/79/97/571377997.db2.gz	UZZOAYCTKNKZCA-DBZFMOGVSA-N	0	0	557.694	3.202	50	0		KGAARN
O=C(COC(=O)[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1cccs1)NC(=O)NC12CC3CC(CC(C3)C1)C2	ZINC000104258280	571378005	/nfs/dbraw/zinc/37/80/05/571378005.db2.gz	UZZOAYCTKNKZCA-LBEMBMLNSA-N	0	0	557.694	3.202	50	0		KGAARN
O=C(OCc1cc(=O)n2cc(Br)ccc2n1)/C(=C\c1ccco1)n1nnnc1-c1ccccc1	ZINC000104444332	571381017	/nfs/dbraw/zinc/38/10/17/571381017.db2.gz	CSNSJZQPVBIWSM-XDHOZWIPSA-N	0	0	519.315	3.445	50	0		KGAARN
CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)OCC(=O)NCC34CC5CC(CC(C5)C3)C4)CC2)cc1	ZINC000104466172	571381011	/nfs/dbraw/zinc/38/10/11/571381011.db2.gz	IJXJAUACSSGLPL-UHFFFAOYSA-N	0	0	546.686	3.140	50	0		KGAARN
CC1(C)C[C@H](N2C(=O)c3cccc(N4CCC[C@@H](C(=O)N5CCN(C(=O)c6ccco6)CC5)C4)c3C2=O)CCO1	ZINC000104513225	571381337	/nfs/dbraw/zinc/38/13/37/571381337.db2.gz	QKZCJYYBGZNECO-NHCUHLMSSA-N	0	0	548.640	3.034	50	0		KGAARN
CCN(CC)S(=O)(=O)c1ccc(C(=O)N[C@@H](C(=O)N2CCN(CC)CC2)C23CC4CC(CC(C4)C2)C3)cc1	ZINC000104725293	571385687	/nfs/dbraw/zinc/38/56/87/571385687.db2.gz	GPIWLYAWYDIGQP-LALQNZDNSA-N	0	0	544.762	3.196	50	0		KGAARN
CCN(CC)S(=O)(=O)c1ccc(C(=O)N[C@H](C(=O)N2CCN(CC)CC2)C23CC4CC(CC(C4)C2)C3)cc1	ZINC000104725297	571385612	/nfs/dbraw/zinc/38/56/12/571385612.db2.gz	GPIWLYAWYDIGQP-BSPLKQFDSA-N	0	0	544.762	3.196	50	0		KGAARN
CC(=O)N[C@@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](COC(C)=O)O[C@H]1n1nc(COc2cccc(C)c2)n(-c2ccccc2)c1=S	ZINC000104753646	571385770	/nfs/dbraw/zinc/38/57/70/571385770.db2.gz	XGWBYSKSYZXUGP-SRUILXRCSA-N	0	0	626.688	3.119	50	0		KGAARN
Cc1cccc(N2CCN(C(=O)CN3c4cc(S(=O)(=O)N5C[C@H](C)C[C@@H](C)C5)ccc4OCC3=O)C[C@H]2C)c1	ZINC000104775547	571385967	/nfs/dbraw/zinc/38/59/67/571385967.db2.gz	APQGVCIANGVOOE-DNVJHFABSA-N	0	0	554.713	3.124	50	0		KGAARN
COc1cccc(N2CCN3c4ccc(C(F)(F)F)cc4C[C@@H](C(=O)NCCN4CCOCC4)[C@@H]3C2)c1	ZINC000104919180	571387468	/nfs/dbraw/zinc/38/74/68/571387468.db2.gz	FZBFMHMITOBQOS-NOZRDPDXSA-N	0	0	518.580	3.030	50	0		KGAARN
O=C(NCCCN1CCOCC1)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(c3ccccc3)C[C@H]12	ZINC000104919699	571387813	/nfs/dbraw/zinc/38/78/13/571387813.db2.gz	SUIXXQKDDZMFEB-ILBGXUMGSA-N	0	0	502.581	3.411	50	0		KGAARN
O=C(NCCCN1CCOCC1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(c3ccccc3)C[C@H]12	ZINC000104919702	571387819	/nfs/dbraw/zinc/38/78/19/571387819.db2.gz	SUIXXQKDDZMFEB-UKILVPOCSA-N	0	0	502.581	3.411	50	0		KGAARN
O=C(NCCN1CCOCC1)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(c3ccccc3F)C[C@H]12	ZINC000104920042	571387736	/nfs/dbraw/zinc/38/77/36/571387736.db2.gz	UHYUZMWRBIBESJ-HYBUGGRVSA-N	0	0	506.544	3.160	50	0		KGAARN
O=C(NCCN1CCOCC1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(c3ccccc3F)C[C@H]12	ZINC000104920045	571387733	/nfs/dbraw/zinc/38/77/33/571387733.db2.gz	UHYUZMWRBIBESJ-GBXCKJPGSA-N	0	0	506.544	3.160	50	0		KGAARN
COc1ccccc1N1CCN2c3ccc(C(F)(F)F)cc3C[C@@H](C(=O)NCCCN3CCOCC3)[C@@H]2C1	ZINC000104920104	571387758	/nfs/dbraw/zinc/38/77/58/571387758.db2.gz	FJLXNCWJMZXVQG-RDGATRHJSA-N	0	0	532.607	3.420	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)c3cccc(F)c3)[C@@H](C)C2)N(C)C(=O)N[C@@H]1c1cc(OC)cc(OC)c1	ZINC000104937451	571387988	/nfs/dbraw/zinc/38/79/88/571387988.db2.gz	BSLQKXZKLBGHSY-HFJWLAOPSA-N	0	0	554.619	3.203	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)c3ccccc3F)[C@@H](C)C2)N(C)C(=O)N[C@@H]1c1cc(OC)cc(OC)c1	ZINC000104937685	571388044	/nfs/dbraw/zinc/38/80/44/571388044.db2.gz	IANFOYUXCMZKHM-HFJWLAOPSA-N	0	0	554.619	3.203	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)C(C)C)[C@@H](C)C2)N(C)C(=O)N[C@@H]1c1ccc(C(F)(F)F)cc1	ZINC000104937740	571387990	/nfs/dbraw/zinc/38/79/90/571387990.db2.gz	UDCJLRLFLLQWJA-HRAATJIYSA-N	0	0	510.557	3.407	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)c3cccs3)[C@@H](C)C2)N(C)C(=O)N[C@@H]1c1ccc(F)cc1	ZINC000104937748	571388020	/nfs/dbraw/zinc/38/80/20/571388020.db2.gz	ZYXSGZQSRALAPX-KSFYIVLOSA-N	0	0	500.596	3.247	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)c3ccc(OC)cc3)[C@@H](C)C2)N(C)C(=O)N[C@@H]1c1ccc(F)cc1	ZINC000104937755	571387978	/nfs/dbraw/zinc/38/79/78/571387978.db2.gz	AWTQYDUOKRAXKR-AVRWGWEMSA-N	0	0	524.593	3.194	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)c3cccc(F)c3)[C@@H](C)C2)N(C)C(=O)N[C@@H]1c1ccc(F)cc1	ZINC000104937763	571387915	/nfs/dbraw/zinc/38/79/15/571387915.db2.gz	YRCUOIZTNGKUPY-BXKMTCNYSA-N	0	0	512.557	3.325	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)c3ccc(OC)cc3)[C@@H](C)C2)N(C)C(=O)N[C@@H]1c1ccc(C)cc1	ZINC000104938108	571388132	/nfs/dbraw/zinc/38/81/32/571388132.db2.gz	HYBKWPDYKRXCQS-RXFWQSSRSA-N	0	0	520.630	3.363	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)c3ccc(C)cc3)[C@@H](C)C2)N(C)C(=O)N[C@@H]1c1ccc(F)cc1	ZINC000104938142	571388101	/nfs/dbraw/zinc/38/81/01/571388101.db2.gz	XMICKHZCZPICBF-UQBPGWFLSA-N	0	0	508.594	3.494	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)NC(C)C)[C@@H](C)C2)N(C)C(=O)N[C@@H]1c1ccc(C(F)(F)F)cc1	ZINC000104938207	571388114	/nfs/dbraw/zinc/38/81/14/571388114.db2.gz	INUZMJMRINEKGN-HRAATJIYSA-N	0	0	525.572	3.343	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)c3ccccc3F)[C@@H](C)C2)N(C)C(=O)N[C@@H]1c1ccc(C)cc1	ZINC000104938514	571388134	/nfs/dbraw/zinc/38/81/34/571388134.db2.gz	VCIVDXPOIADLGK-UQBPGWFLSA-N	0	0	508.594	3.494	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)c3cccc(F)c3)[C@@H](C)C2)N(C)C(=O)N[C@@H]1c1ccc(C)cc1	ZINC000104938522	571388103	/nfs/dbraw/zinc/38/81/03/571388103.db2.gz	OKILPFLEGPHHKP-UQBPGWFLSA-N	0	0	508.594	3.494	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)c3ccc(F)cc3)[C@@H](C)C2)N(C)C(=O)N[C@@H]1c1ccc(F)cc1	ZINC000104938546	571388098	/nfs/dbraw/zinc/38/80/98/571388098.db2.gz	RFKLARHLCGRBMN-BXKMTCNYSA-N	0	0	512.557	3.325	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)c3ccc(F)cc3)[C@@H](C)C2)N(C)C(=O)N[C@@H]1c1ccc(C)cc1	ZINC000104938696	571388097	/nfs/dbraw/zinc/38/80/97/571388097.db2.gz	JHLJSNMHIVTWQP-UQBPGWFLSA-N	0	0	508.594	3.494	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)c3cccc(OC)c3)[C@@H](C)C2)N(C)C(=O)N[C@@H]1c1ccc(C)cc1	ZINC000104938715	571388107	/nfs/dbraw/zinc/38/81/07/571388107.db2.gz	RQRBNTQLDOWPLS-RXFWQSSRSA-N	0	0	520.630	3.363	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)NC(C)(C)C)[C@@H](C)C2)N(CC)C(=O)N[C@@H]1c1cccc(F)c1	ZINC000104938804	571388143	/nfs/dbraw/zinc/38/81/43/571388143.db2.gz	FJGXFQJLEIXJDM-HTAPYJJXSA-N	0	0	503.619	3.243	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)c3cccc(F)c3)[C@@H](C)C2)N(C)C(=O)N[C@@H]1c1ccc(OC)c(OC)c1	ZINC000104938857	571388131	/nfs/dbraw/zinc/38/81/31/571388131.db2.gz	KLILGMKKNXOZSG-HFJWLAOPSA-N	0	0	554.619	3.203	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)NC(C)(C)C)[C@@H](C)C2)N(C)C(=O)N[C@@H]1c1ccccc1Cl	ZINC000104939349	571388165	/nfs/dbraw/zinc/38/81/65/571388165.db2.gz	MKTOXHLYFPQXJU-HRAATJIYSA-N	0	0	506.047	3.368	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)C3CCCC3)[C@@H](C)C2)N(CC)C(=O)N[C@@H]1c1cccc(F)c1	ZINC000104939752	571388105	/nfs/dbraw/zinc/38/81/05/571388105.db2.gz	YPFPKALVRWEARD-MHECFPHRSA-N	0	0	500.615	3.452	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)c3ccc(C)cc3)[C@@H](C)C2)N(C)C(=O)N[C@@H]1c1ccccc1OC	ZINC000104939867	571388209	/nfs/dbraw/zinc/38/82/09/571388209.db2.gz	IZXHQXCUUFITEF-RXFWQSSRSA-N	0	0	520.630	3.363	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)c3cccc(F)c3)[C@@H](C)C2)N(C)C(=O)N[C@@H]1c1ccccc1OC	ZINC000104939882	571388264	/nfs/dbraw/zinc/38/82/64/571388264.db2.gz	FOONZMUKTBDRGG-AVRWGWEMSA-N	0	0	524.593	3.194	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)NC(C)(C)C)[C@@H](C)C2)N(CC)C(=O)N[C@@H]1c1ccc(F)cc1	ZINC000104940001	571388204	/nfs/dbraw/zinc/38/82/04/571388204.db2.gz	PCSSSLNCHIHFQT-HTAPYJJXSA-N	0	0	503.619	3.243	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)c3ccc(OC)cc3)[C@@H](C)C2)N(C)C(=O)N[C@@H]1c1cccc(F)c1	ZINC000104940346	571388230	/nfs/dbraw/zinc/38/82/30/571388230.db2.gz	MGNFPMYNJJQFSC-AVRWGWEMSA-N	0	0	524.593	3.194	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)c3ccc(F)cc3)[C@@H](C)C2)N(C)C(=O)N[C@@H]1c1ccccc1F	ZINC000104940555	571388232	/nfs/dbraw/zinc/38/82/32/571388232.db2.gz	KNJCLSWFTHPETO-BXKMTCNYSA-N	0	0	512.557	3.325	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)c3cccc(OC)c3)[C@@H](C)C2)N(C)C(=O)N[C@@H]1c1ccccc1C	ZINC000104940715	571388236	/nfs/dbraw/zinc/38/82/36/571388236.db2.gz	LXERVYQYLDYJII-RXFWQSSRSA-N	0	0	520.630	3.363	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)c3ccc(C)cc3)[C@@H](C)C2)N(C)C(=O)N[C@@H]1c1cccc(F)c1	ZINC000104940804	571388259	/nfs/dbraw/zinc/38/82/59/571388259.db2.gz	HXQHFLNREQXIII-UQBPGWFLSA-N	0	0	508.594	3.494	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)c3ccccc3F)[C@@H](C)C2)N(C)C(=O)N[C@@H]1c1cccc(F)c1	ZINC000104940824	571388203	/nfs/dbraw/zinc/38/82/03/571388203.db2.gz	WVDFNTNCUOLAFK-BXKMTCNYSA-N	0	0	512.557	3.325	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)c3ccc(F)cc3)[C@@H](C)C2)N(C)C(=O)N[C@@H]1c1ccccc1C	ZINC000104940946	571388205	/nfs/dbraw/zinc/38/82/05/571388205.db2.gz	LHNGICLLRRJAMA-UQBPGWFLSA-N	0	0	508.594	3.494	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)c3ccccc3F)[C@@H](C)C2)N(C)C(=O)N[C@@H]1c1ccccc1C	ZINC000104940957	571388212	/nfs/dbraw/zinc/38/82/12/571388212.db2.gz	VPGIIEONKNLOGH-UQBPGWFLSA-N	0	0	508.594	3.494	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)c3cccc(F)c3)[C@@H](C)C2)N(C)C(=O)N[C@@H]1c1ccccc1C	ZINC000104940966	571388216	/nfs/dbraw/zinc/38/82/16/571388216.db2.gz	SAFLMFDXGXBSDN-UQBPGWFLSA-N	0	0	508.594	3.494	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)c3cccs3)[C@@H](C)C2)N(C)C(=O)N[C@@H]1c1cccc(F)c1	ZINC000104941122	571388247	/nfs/dbraw/zinc/38/82/47/571388247.db2.gz	UGNTZNOHRQTDMX-KSFYIVLOSA-N	0	0	500.596	3.247	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)c3ccc(OC)cc3)[C@@H](C)C2)N(C)C(=O)N[C@@H]1c1ccccc1C	ZINC000104941210	571388258	/nfs/dbraw/zinc/38/82/58/571388258.db2.gz	IEYFCLKWSUZSIK-RXFWQSSRSA-N	0	0	520.630	3.363	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)c3ccco3)[C@@H](C)C2)N(C)C(=O)N[C@@H]1c1ccc(Cl)cc1	ZINC000104941309	571388213	/nfs/dbraw/zinc/38/82/13/571388213.db2.gz	OUJJNSMALOICRU-KSFYIVLOSA-N	0	0	500.983	3.293	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)c3ccc(F)cc3)[C@@H](C)C2)N(C)C(=O)N[C@@H]1c1cccc(F)c1	ZINC000104941516	571388268	/nfs/dbraw/zinc/38/82/68/571388268.db2.gz	SAEKBKYFMUZDSX-BXKMTCNYSA-N	0	0	512.557	3.325	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)C3CC3)[C@@H](C)C2)N(C)C(=O)N[C@@H]1c1cccc(Cl)c1Cl	ZINC000104943546	571388365	/nfs/dbraw/zinc/38/83/65/571388365.db2.gz	QHMOVIVQRZAFOC-LHSJRXKWSA-N	0	0	509.434	3.449	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)c3ccccc3F)[C@@H](C)C2)N(C)C(=O)N[C@@H]1c1cc(OC)ccc1OC	ZINC000104943791	571388344	/nfs/dbraw/zinc/38/83/44/571388344.db2.gz	LARPFDDNTRLIEL-HFJWLAOPSA-N	0	0	554.619	3.203	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)NC(C)C)[C@@H](C)C2)N(C)C(=O)N[C@@H]1c1ccccc1C(F)(F)F	ZINC000104944433	571388314	/nfs/dbraw/zinc/38/83/14/571388314.db2.gz	DFKLKABOHDPBJD-HRAATJIYSA-N	0	0	525.572	3.343	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)c3ccco3)[C@@H](C)C2)N(CC)C(=O)N[C@@H]1c1ccc(OC)cc1	ZINC000104944742	571388326	/nfs/dbraw/zinc/38/83/26/571388326.db2.gz	CZIYGDRCWLZEBJ-MHECFPHRSA-N	0	0	510.591	3.038	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)NC(C)C)[C@@H](C)C2)N(CC)C(=O)N[C@@H]1c1ccccc1Cl	ZINC000104944948	571388409	/nfs/dbraw/zinc/38/84/09/571388409.db2.gz	UJGCVXKVGFTTAQ-HTAPYJJXSA-N	0	0	506.047	3.368	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)NC(C)(C)C)[C@@H](C)C2)N(CC)C(=O)N[C@@H]1c1ccc(OC)cc1	ZINC000104944960	571388433	/nfs/dbraw/zinc/38/84/33/571388433.db2.gz	LBQQQKIHPMKYMJ-FDDCHVKYSA-N	0	0	515.655	3.113	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)NC(C)(C)C)[C@@H](C)C2)N(CC)C(=O)N[C@@H]1c1ccccc1F	ZINC000104945419	571388417	/nfs/dbraw/zinc/38/84/17/571388417.db2.gz	LCDNVPLLVHHLIR-HTAPYJJXSA-N	0	0	503.619	3.243	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)NC(C)C)[C@@H](C)C2)N(CC)C(=O)N[C@@H]1c1ccc(Cl)cc1	ZINC000104946010	571388422	/nfs/dbraw/zinc/38/84/22/571388422.db2.gz	YANQVXLRNBPCJQ-HTAPYJJXSA-N	0	0	506.047	3.368	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)c3ccc(OC)cc3)[C@@H](C)C2)N(C)C(=O)N[C@@H]1c1cccc(OC)c1OC	ZINC000104946387	571388539	/nfs/dbraw/zinc/38/85/39/571388539.db2.gz	GYIDROLGNQQCLN-AFMDSPMNSA-N	0	0	566.655	3.072	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)c3ccccc3)[C@@H](C)C2)N(C)C(=O)N[C@@H]1c1cccc(OC)c1OC	ZINC000104946648	571388623	/nfs/dbraw/zinc/38/86/23/571388623.db2.gz	NBXCQCYOLGSMOH-UQBPGWFLSA-N	0	0	536.629	3.064	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)c3ccc(C)cc3)[C@@H](C)C2)N(C)C(=O)N[C@@H]1c1cccc(OC)c1OC	ZINC000104946653	571388520	/nfs/dbraw/zinc/38/85/20/571388520.db2.gz	AMSKHVCYBWWWOK-RXFWQSSRSA-N	0	0	550.656	3.372	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)NC(C)(C)C)[C@@H](C)C2)N(CC)C(=O)N[C@@H]1c1cc(OC)ccc1OC	ZINC000104946834	571388569	/nfs/dbraw/zinc/38/85/69/571388569.db2.gz	LGRRMMQZWMDFDP-MHECFPHRSA-N	0	0	545.681	3.121	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)NC(C)(C)C)[C@@H](C)C2)N(CC)C(=O)N[C@@H]1c1ccc(OC)cc1OC	ZINC000104947126	571388592	/nfs/dbraw/zinc/38/85/92/571388592.db2.gz	RFINYJGGGULRQS-MHECFPHRSA-N	0	0	545.681	3.121	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)c3ccccc3)[C@@H](C)C2)N(CC)C(=O)N[C@@H]1c1cccc(OC)c1	ZINC000104947702	571388545	/nfs/dbraw/zinc/38/85/45/571388545.db2.gz	YMFKFHMXLNZPAQ-RXFWQSSRSA-N	0	0	520.630	3.445	50	0		KGAARN
COc1ccc(S(=O)(=O)N2C[C@H](C(=O)NCc3ccc4c(c3)OCO4)[C@H](c3ccccc3OC)C2)cc1	ZINC000104957838	571388628	/nfs/dbraw/zinc/38/86/28/571388628.db2.gz	KDZQQOSBBLXEBF-GOTSBHOMSA-N	0	0	524.595	3.153	50	0		KGAARN
COc1ccc(S(=O)(=O)N2C[C@H](C(=O)NCc3ccc4c(c3)OCO4)[C@@H](c3ccccc3OC)C2)cc1	ZINC000104957841	571388524	/nfs/dbraw/zinc/38/85/24/571388524.db2.gz	KDZQQOSBBLXEBF-PKTZIBPZSA-N	0	0	524.595	3.153	50	0		KGAARN
COc1ccc([C@H]2[C@@H](S(=O)(=O)NCc3ccc4c(c3)OCO4)CON2C)cc1OCc1ccccc1	ZINC000105050006	571390295	/nfs/dbraw/zinc/39/02/95/571390295.db2.gz	CHWTVRFZOGDFQO-UIOOFZCWSA-N	0	0	512.584	3.409	50	0		KGAARN
COc1ccc([C@@H]2[C@@H](S(=O)(=O)NCc3ccc4c(c3)OCO4)CON2C)cc1OCc1ccccc1	ZINC000105050010	571390371	/nfs/dbraw/zinc/39/03/71/571390371.db2.gz	CHWTVRFZOGDFQO-IZZNHLLZSA-N	0	0	512.584	3.409	50	0		KGAARN
CCOC(=O)[C@@H]1CCCN(C(=O)[C@H](C)N2CC3=C(C2=O)[C@H](c2ccc(Cl)cc2Cl)NC(=O)N3CC)C1	ZINC000105055632	571390631	/nfs/dbraw/zinc/39/06/31/571390631.db2.gz	JYQHWRMZDAKERE-ZSDSOXJFSA-N	0	0	537.444	3.366	50	0		KGAARN
CCOC(=O)[C@@H]1CCCN(C(=O)[C@@H](C)N2CC3=C(C2=O)[C@H](c2ccc(Cl)cc2Cl)NC(=O)N3CC)C1	ZINC000105055636	571390598	/nfs/dbraw/zinc/39/05/98/571390598.db2.gz	JYQHWRMZDAKERE-PZPWOCDFSA-N	0	0	537.444	3.366	50	0		KGAARN
COc1ccc(S(=O)(=O)N2CCC[C@H](C)C2)cc1N1CCN(C(=O)[C@H](C)Oc2ccccc2)CC1	ZINC000105071339	571390974	/nfs/dbraw/zinc/39/09/74/571390974.db2.gz	LPHPMDNYKCMSIX-SFTDATJTSA-N	0	0	501.649	3.232	50	0		KGAARN
O=C(CN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)NCCN1C(=O)S/C(=C/c2ccc(Cl)c(Cl)c2)C1=O	ZINC000105081655	571391194	/nfs/dbraw/zinc/39/11/94/571391194.db2.gz	PJZVZKCWWHFHFH-DPOBWDHUSA-N	0	0	508.383	3.097	50	0		KGAARN
COC(=O)c1cn([C@H]2C[C@@H](C(=O)NCCc3c[nH]c4ccccc34)N(Cc3cc(C)c(OC)cc3C)C2)nn1	ZINC000105430107	1059126694	/nfs/dbraw/zinc/12/66/94/1059126694.db2.gz	PGJLTTDCAIFJFD-NVQXNPDNSA-N	0	0	530.629	3.346	50	0		KGAARN
C[C@H](OC(=O)c1ccc(NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1)C(=O)NC12CC3CC(CC(C3)C1)C2	ZINC000105484523	571405122	/nfs/dbraw/zinc/40/51/22/571405122.db2.gz	HOJJNIGKJGIKPS-GLCHGYBISA-N	0	0	538.626	3.287	50	0		KGAARN
C[C@@H](OC(=O)c1ccc(NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1)C(=O)NC12CC3CC(CC(C3)C1)C2	ZINC000105484528	571405073	/nfs/dbraw/zinc/40/50/73/571405073.db2.gz	HOJJNIGKJGIKPS-AEBPFMNOSA-N	0	0	538.626	3.287	50	0		KGAARN
CC(=O)O[C@@H]1CO[C@H](Sc2nc3ccc(Br)cc3c(=O)n2-c2ccccc2)[C@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000105508066	571406714	/nfs/dbraw/zinc/40/67/14/571406714.db2.gz	QSVOKUCLXSSKDP-GBEXAXCTSA-N	0	0	591.436	3.392	50	0		KGAARN
COC(=O)c1cc([C@@](O)(C(=O)OC)C(F)(F)F)c(NC(=S)NC(=O)C23CC4CC(CC(C4)C2)C3)s1	ZINC000105606060	571407824	/nfs/dbraw/zinc/40/78/24/571407824.db2.gz	VDTOCKWNBAHEGH-VVRHWYBXSA-N	0	0	534.578	3.487	50	0		KGAARN
COC(=O)c1cc([C@](O)(C(=O)OC)C(F)(F)F)c(NC(=S)NC(=O)C23CC4CC(CC(C4)C2)C3)s1	ZINC000105606065	571407771	/nfs/dbraw/zinc/40/77/71/571407771.db2.gz	VDTOCKWNBAHEGH-HAVVNOLSSA-N	0	0	534.578	3.487	50	0		KGAARN
COc1ccc(CCN2CCn3c2nc2c3c(=O)n(Cc3c(Cl)cccc3Cl)c(=O)n2C)cc1OC	ZINC000105701788	571408353	/nfs/dbraw/zinc/40/83/53/571408353.db2.gz	WRQZLODAWVHQBI-UHFFFAOYSA-N	0	0	530.412	3.332	50	0		KGAARN
COc1cc(OC)c(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3cc4c(cc3C)NC(=O)[C@H](C)O4)C2)cc1Cl	ZINC000105845615	571409082	/nfs/dbraw/zinc/40/90/82/571409082.db2.gz	KYFLWGDQXZNRDW-LSDHHAIUSA-N	0	0	538.022	3.424	50	0		KGAARN
COc1cc(OC)c(NC(=O)[C@H]2CCCN(S(=O)(=O)c3cc4c(cc3C)NC(=O)[C@H](C)O4)C2)cc1Cl	ZINC000105845619	571409025	/nfs/dbraw/zinc/40/90/25/571409025.db2.gz	KYFLWGDQXZNRDW-GJZGRUSLSA-N	0	0	538.022	3.424	50	0		KGAARN
COc1ccc(S(=O)(=O)N(CC(=O)N2CCN(c3ccccc3OC)CC2)Cc2ccccc2)cc1OC	ZINC000105965432	571409572	/nfs/dbraw/zinc/40/95/72/571409572.db2.gz	YKTLCKNGTFXAPD-UHFFFAOYSA-N	0	0	539.654	3.252	50	0		KGAARN
COC(=O)COc1ccc(Br)cc1/C=C1\SC(=O)N(CC(=O)Nc2ccc3c(c2)OCCO3)C1=O	ZINC000105981309	571409803	/nfs/dbraw/zinc/40/98/03/571409803.db2.gz	HWFSQGOQYHFPKM-OCKHKDLRSA-N	0	0	563.382	3.447	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)NC(C)(C)C)[C@@H](C)C2)N(CC)C(=O)N[C@@H]1c1ccccc1OC	ZINC000106006755	571410156	/nfs/dbraw/zinc/41/01/56/571410156.db2.gz	DZWQTTAQMTVJHM-FDDCHVKYSA-N	0	0	515.655	3.113	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)c(Cl)c3)c(=O)n2[C@@H]1c1cc(OC)ccc1OC	ZINC000106075567	1060060793	/nfs/dbraw/zinc/06/07/93/1060060793.db2.gz	OGKMNEKSWDOLMM-VVOOWDFBSA-N	0	0	529.014	3.478	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)c(Cl)c3)c(=O)n2[C@H]1c1cc(OC)ccc1OC	ZINC000106075573	1060060643	/nfs/dbraw/zinc/06/06/43/1060060643.db2.gz	OGKMNEKSWDOLMM-JUTHHCEFSA-N	0	0	529.014	3.478	50	0		KGAARN
Cc1cc2c(cc1S(=O)(=O)N1CCC[C@H](C(=O)N3CCN(c4cccc(Cl)c4)CC3)C1)O[C@@H](C)C(=O)N2	ZINC000106303962	571411789	/nfs/dbraw/zinc/41/17/89/571411789.db2.gz	RZKHJQHILIBDGA-OALUTQOASA-N	0	0	547.077	3.117	50	0		KGAARN
COc1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3cc4c(cc3C)NC(=O)[C@H](C)O4)C2)cc1Cl	ZINC000106304127	571411832	/nfs/dbraw/zinc/41/18/32/571411832.db2.gz	IQIXSDCDROTEDY-LSDHHAIUSA-N	0	0	507.996	3.416	50	0		KGAARN
COc1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3cc4c(cc3C)NC(=O)[C@H](C)O4)C2)cc1Cl	ZINC000106304131	571411912	/nfs/dbraw/zinc/41/19/12/571411912.db2.gz	IQIXSDCDROTEDY-GJZGRUSLSA-N	0	0	507.996	3.416	50	0		KGAARN
Cc1cc2c(cc1S(=O)(=O)N1CCC[C@@H](C(=O)NCc3ccc(OC(C)C)cc3)C1)O[C@@H](C)C(=O)N2	ZINC000106304253	571411834	/nfs/dbraw/zinc/41/18/34/571411834.db2.gz	VUMBSIJMUSGBJI-AZUAARDMSA-N	0	0	515.632	3.219	50	0		KGAARN
Cc1cc2c(cc1S(=O)(=O)N1CCC[C@H](C(=O)NCc3ccc(OC(C)C)cc3)C1)O[C@@H](C)C(=O)N2	ZINC000106304257	571411829	/nfs/dbraw/zinc/41/18/29/571411829.db2.gz	VUMBSIJMUSGBJI-ICSRJNTNSA-N	0	0	515.632	3.219	50	0		KGAARN
COC(=O)c1ccccc1N1C(=O)[C@@H]2[C@H](c3ccc(OC)cc3)N[C@@](Cc3ccccc3)(C(=O)OC)[C@H]2C1=O	ZINC000106341019	571412045	/nfs/dbraw/zinc/41/20/45/571412045.db2.gz	YJTIKQVBSVAFNQ-YDXRHMNESA-N	0	0	528.561	3.086	50	0		KGAARN
COC(=O)c1ccccc1N1C(=O)[C@@H]2[C@H](c3ccc(OC)cc3)N[C@](Cc3ccccc3)(C(=O)OC)[C@H]2C1=O	ZINC000106341024	571411970	/nfs/dbraw/zinc/41/19/70/571411970.db2.gz	YJTIKQVBSVAFNQ-SODQHWRNSA-N	0	0	528.561	3.086	50	0		KGAARN
CN1O[C@@H]2C(=O)N(CCNc3ncc(C(F)(F)F)cc3Cl)C(=O)[C@H]2[C@H]1c1coc2ccccc2c1=O	ZINC000106344415	571412041	/nfs/dbraw/zinc/41/20/41/571412041.db2.gz	BEXYXJIGSNKGHN-SCTDSRPQSA-N	0	0	522.867	3.244	50	0		KGAARN
COc1ccc(C(OC[C@@H]2O[C@H](n3ccc(=O)[nH]c3=O)[C@@H](F)[C@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1	ZINC000106386412	1060060817	/nfs/dbraw/zinc/06/08/17/1060060817.db2.gz	CSSFZSSZXOCCJB-VNNZRSTGSA-N	0	0	548.567	3.159	50	0		KGAARN
COc1cccc(CC(=O)N2CCN(c3cccc4c3C(=O)N(CCc3ccc(OC)c(OC)c3)C4=O)CC2)c1	ZINC000106529295	1059134569	/nfs/dbraw/zinc/13/45/69/1059134569.db2.gz	DHYXJJIFAVCIGR-UHFFFAOYSA-N	0	0	543.620	3.442	50	0		KGAARN
O=C(CN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)NCCN1C(=O)S/C(=C\c2ccc(Cl)c(Cl)c2)C1=O	ZINC000107120579	571419817	/nfs/dbraw/zinc/41/98/17/571419817.db2.gz	PJZVZKCWWHFHFH-SRDPGZLCSA-N	0	0	508.383	3.097	50	0		KGAARN
CC(=O)OC[C@@H]1O[C@@H](SC2=N/C(=C\c3ccccc3)C(=O)N2c2ccccc2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000107618552	571420577	/nfs/dbraw/zinc/42/05/77/571420577.db2.gz	AKCZYLVRRRRJPS-VQEZFPEGSA-N	0	0	610.641	3.247	50	0		KGAARN
CC(=O)OC[C@@H]1O[C@@H](SC2=N/C(=C\c3cccs3)C(=O)N2c2ccccc2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000107618566	571420580	/nfs/dbraw/zinc/42/05/80/571420580.db2.gz	FPRYYLFGRJZXPA-SFEDUJICSA-N	0	0	616.670	3.308	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N4CCOCC4)o3)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1	ZINC000107803163	571421189	/nfs/dbraw/zinc/42/11/89/571421189.db2.gz	NTVHVLVURXNAOQ-GJISQHIDSA-N	0	0	521.639	3.351	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N4CCOCC4)o3)c(=O)n2[C@H]1c1ccc(C(C)C)cc1	ZINC000107803167	571421156	/nfs/dbraw/zinc/42/11/56/571421156.db2.gz	NTVHVLVURXNAOQ-YVVITCHPSA-N	0	0	521.639	3.351	50	0		KGAARN
CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N(C[C@@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)c1	ZINC000108329520	562825449	/nfs/dbraw/zinc/82/54/49/562825449.db2.gz	PDGVQNKYYZNZMG-PMACEKPBSA-N	0	0	541.091	3.364	50	0		KGAARN
Cc1ccc(C(OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2O)(c2ccc(C)cc2)c2ccc(C)cc2)cc1	ZINC000108447338	571423553	/nfs/dbraw/zinc/42/35/53/571423553.db2.gz	FIRYIETUDDCXKA-YXINZVNLSA-N	0	0	528.605	3.090	50	0	biogenic	KGAARN
Cc1ccc(C(OC[C@H]2O[C@@H](n3ccc(N)nc3=O)[C@H](O)[C@@H]2O)(c2ccc(C)cc2)c2ccc(C)cc2)cc1	ZINC000108447346	571423670	/nfs/dbraw/zinc/42/36/70/571423670.db2.gz	NOTVIJWDAXXMDI-YXINZVNLSA-N	0	0	527.621	3.379	50	0	biogenic	KGAARN
COc1cc2c(c(OC)c1OC)-c1ccc(NCC(=O)NCc3nc4ccccc4[nH]3)c(=O)cc1[C@@H](NC(C)=O)CC2	ZINC000108447511	571423776	/nfs/dbraw/zinc/42/37/76/571423776.db2.gz	ASOYTTYGBOPPMB-NRFANRHFSA-N	0	0	571.634	3.468	50	0	biogenic	KGAARN
COc1cc2c(c(OC)c1OC)-c1ccc(NCC(=O)NCc3ccc4c(c3)OCO4)c(=O)cc1[C@@H](NC(C)=O)CC2	ZINC000108447640	571423751	/nfs/dbraw/zinc/42/37/51/571423751.db2.gz	RKTPZVXRHBDSHN-QFIPXVFZSA-N	0	0	575.618	3.320	50	0	biogenic	KGAARN
COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](C)C(=O)NCCNC(=O)OC(C)(C)C)c(=O)cc1[C@@H](NC(C)=O)CC2	ZINC000108447703	571423892	/nfs/dbraw/zinc/42/38/92/571423892.db2.gz	VAABOEZIIMOVEQ-JTSKRJEESA-N	0	0	598.697	3.304	50	0	biogenic	KGAARN
COc1cc2c(c(OC)c1OC)-c1ccc(NCC(=O)NCCc3ccco3)c(=O)cc1[C@@H](NC(C)=O)CC2	ZINC000108447780	571423885	/nfs/dbraw/zinc/42/38/85/571423885.db2.gz	XRLCJBJMXABWOX-QFIPXVFZSA-N	0	0	535.597	3.227	50	0	biogenic	KGAARN
COc1cc2c(c(OC)c1OC)-c1ccc(NCC(=O)NCCc3ccc(O)cc3)c(=O)cc1[C@@H](NC(C)=O)CC2	ZINC000108447821	571423879	/nfs/dbraw/zinc/42/38/79/571423879.db2.gz	AWORJKAYOGMYJI-DEOSSOPVSA-N	0	0	561.635	3.339	50	0	biogenic	KGAARN
COc1cc2c(c(OC)c1OC)-c1ccc(NCCCC(=O)NC[C@@H]3CCCO3)c(=O)cc1[C@@H](NC(C)=O)CC2	ZINC000108447824	571423919	/nfs/dbraw/zinc/42/39/19/571423919.db2.gz	AUYNZXPWKCAQKI-REWPJTCUSA-N	0	0	553.656	3.350	50	0	biogenic	KGAARN
COc1cc2c(c(OC)c1OC)-c1ccc(NCCCC(=O)NC[C@H]3CCCO3)c(=O)cc1[C@@H](NC(C)=O)CC2	ZINC000108447826	571423936	/nfs/dbraw/zinc/42/39/36/571423936.db2.gz	AUYNZXPWKCAQKI-OFNKIYASSA-N	0	0	553.656	3.350	50	0	biogenic	KGAARN
COc1cc2c(c(OC)c1OC)-c1ccc(NCC(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c(=O)cc1[C@@H](NC(C)=O)CC2	ZINC000108447916	571423866	/nfs/dbraw/zinc/42/38/66/571423866.db2.gz	ZGPPEGRHOWYKKX-QHCPKHFHSA-N	0	0	610.708	3.354	50	0	biogenic	KGAARN
COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](C)C(=O)NCC3CCOCC3)c(=O)cc1[C@@H](NC(C)=O)CC2	ZINC000108448218	571424041	/nfs/dbraw/zinc/42/40/41/571424041.db2.gz	SDDGTPCMXSVJSD-SBUREZEXSA-N	0	0	553.656	3.206	50	0	biogenic	KGAARN
COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](CC(C)C)C(=O)NCCN3CCOCC3)c(=O)cc1[C@@H](NC(C)=O)CC2	ZINC000108448378	571424290	/nfs/dbraw/zinc/42/42/90/571424290.db2.gz	UZFFDZFXLWBFRN-BDYUSTAISA-N	0	0	610.752	3.138	50	0	biogenic	KGAARN
COCCCNC(=O)CCCNc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2	ZINC000108448475	571424263	/nfs/dbraw/zinc/42/42/63/571424263.db2.gz	WJRKAJBCUOACIZ-QFIPXVFZSA-N	0	0	541.645	3.208	50	0	biogenic	KGAARN
COc1cc2c(c(OC)c1OC)-c1ccc(N[C@H](C(=O)NCCc3c[nH]cn3)C(C)C)c(=O)cc1[C@@H](NC(C)=O)CC2	ZINC000108448521	571424183	/nfs/dbraw/zinc/42/41/83/571424183.db2.gz	UEYLVEVPZOBALN-FIPFOOKPSA-N	0	0	577.682	3.382	50	0	biogenic	KGAARN
COc1cc2c(c(OC)c1OC)-c1ccc(NCCCCCC(=O)NCCN3CCOCC3)c(=O)cc1[C@@H](NC(C)=O)CC2	ZINC000108448577	571424391	/nfs/dbraw/zinc/42/43/91/571424391.db2.gz	UCYGYXCISOWTRD-SANMLTNESA-N	0	0	610.752	3.284	50	0	biogenic	KGAARN
COc1cc2c(c(OC)c1OC)-c1ccc(NCCCC(=O)NCc3nnc4ccccn43)c(=O)cc1[C@@H](NC(C)=O)CC2	ZINC000108448690	571424397	/nfs/dbraw/zinc/42/43/97/571424397.db2.gz	HFFVURDAJULBAN-QHCPKHFHSA-N	0	0	600.676	3.414	50	0	biogenic	KGAARN
COc1cc2c(c(OC)c1OC)-c1ccc(NCC(=O)Nc3ccc(C(N)=O)cc3)c(=O)cc1[C@@H](NC(C)=O)CC2	ZINC000108448740	571424406	/nfs/dbraw/zinc/42/44/06/571424406.db2.gz	ZGKZVSJXSZBXIX-QFIPXVFZSA-N	0	0	560.607	3.013	50	0	biogenic	KGAARN
COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](C)C(=O)N3CCN(C(=O)c4ccco4)CC3)c(=O)cc1[C@@H](NC(C)=O)CC2	ZINC000108449119	571424563	/nfs/dbraw/zinc/42/45/63/571424563.db2.gz	HJUVRYFAEGTPRS-CYFREDJKSA-N	0	0	618.687	3.241	50	0	biogenic	KGAARN
COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](C)C(=O)Nc3cc(C)n(C)n3)c(=O)cc1[C@@H](NC(C)=O)CC2	ZINC000108449587	193924425	/nfs/dbraw/zinc/92/44/25/193924425.db2.gz	WDFFLEROJPMSBE-KKSFZXQISA-N	0	0	549.628	3.344	50	0	biogenic	KGAARN
COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](C)C(=O)N3CCSCC3)c(=O)cc1[C@@H](NC(C)=O)CC2	ZINC000108450126	571425179	/nfs/dbraw/zinc/42/51/79/571425179.db2.gz	CBSNWSZXPZWJIL-KKSFZXQISA-N	0	0	541.670	3.239	50	0	biogenic	KGAARN
COc1cc2c(c(OC)c1OC)-c1ccc(NCC(=O)N3CCN(c4ccccn4)CC3)c(=O)cc1[C@@H](NC(C)=O)CC2	ZINC000108450170	571425161	/nfs/dbraw/zinc/42/51/61/571425161.db2.gz	ZNZCDYXJNHLMCX-DEOSSOPVSA-N	0	0	587.677	3.019	50	0	biogenic	KGAARN
COc1cc2c(c(OC)c1OC)-c1ccc(NCCCCCC(=O)NCCCO)c(=O)cc1[C@@H](NC(C)=O)CC2	ZINC000108450173	193925248	/nfs/dbraw/zinc/92/52/48/193925248.db2.gz	WXFBUMSJIWSPFG-QHCPKHFHSA-N	0	0	555.672	3.334	50	0	biogenic	KGAARN
COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](C)C(=O)N3CCN(c4ccccn4)CC3)c(=O)cc1[C@@H](NC(C)=O)CC2	ZINC000108450381	571425180	/nfs/dbraw/zinc/42/51/80/571425180.db2.gz	APKQCXJJDUHTMM-CPJSRVTESA-N	0	0	601.704	3.407	50	0	biogenic	KGAARN
COc1ccc(NC(=O)CNc2ccc3c(cc2=O)[C@@H](NC(C)=O)CCc2cc(OC)c(OC)c(OC)c2-3)cn1	ZINC000108450669	193926378	/nfs/dbraw/zinc/92/63/78/193926378.db2.gz	HGFJKMWFKUVASE-NRFANRHFSA-N	0	0	548.596	3.317	50	0	biogenic	KGAARN
COc1cc2c(c(OC)c1OC)-c1ccc(NCC(=O)NCc3nc4ccccc4n3C)c(=O)cc1[C@@H](NC(C)=O)CC2	ZINC000108450806	571425449	/nfs/dbraw/zinc/42/54/49/571425449.db2.gz	GOMMOTMNDKRXHE-QFIPXVFZSA-N	0	0	585.661	3.478	50	0	biogenic	KGAARN
COc1cc2c(c(OC)c1OC)-c1ccc(NCCCC(=O)NCCc3nnc4ccccn43)c(=O)cc1[C@@H](NC(C)=O)CC2	ZINC000108451255	193927283	/nfs/dbraw/zinc/92/72/83/193927283.db2.gz	OXLFTOMIJRCZSP-DEOSSOPVSA-N	0	0	614.703	3.457	50	0	biogenic	KGAARN
CCOC(=O)N1CCN(C(=O)CCCNc2ccc3c(cc2=O)[C@@H](NC(C)=O)CCc2cc(OC)c(OC)c(OC)c2-3)CC1	ZINC000108451315	571425730	/nfs/dbraw/zinc/42/57/30/571425730.db2.gz	SJHHSDDZARIHAT-DEOSSOPVSA-N	0	0	610.708	3.356	50	0	biogenic	KGAARN
COc1cc2c(c(OC)c1OC)-c1ccc(N[C@H](C(=O)N3CCOCC3)C(C)C)c(=O)cc1[C@@H](NC(C)=O)CC2	ZINC000108451494	193927836	/nfs/dbraw/zinc/92/78/36/193927836.db2.gz	ZSOQNWFVEWNSHZ-CUNXSJBXSA-N	0	0	553.656	3.158	50	0	biogenic	KGAARN
COc1ccccc1OCCNC(=O)CNc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2	ZINC000108451616	571425871	/nfs/dbraw/zinc/42/58/71/571425871.db2.gz	RJSNVKKJUNJSAK-QHCPKHFHSA-N	0	0	591.661	3.479	50	0	biogenic	KGAARN
COc1ccc(C(OC[C@H]2O[C@@H](n3cc(C)c(=O)[nH]c3=O)[C@H](F)[C@@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1	ZINC000108477556	571425761	/nfs/dbraw/zinc/42/57/61/571425761.db2.gz	RWIIURMGSYIIES-LTGLEFCMSA-N	0	0	562.594	3.467	50	0		KGAARN
O=C(Nc1ccc2c(c1)OCO2)[C@@H]1[C@@H]2C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@H]2[C@@H]2c3ccccc3C=CN21	ZINC000108522095	571425961	/nfs/dbraw/zinc/42/59/61/571425961.db2.gz	RIZPNLASTUJFMG-XPGKHFPBSA-N	0	0	523.501	3.298	50	0		KGAARN
CN(C)S(=O)(=O)c1ccc(C(=O)Nc2nc3ccc(NC(=O)c4ccc(S(=O)(=O)N(C)C)cc4)cc3s2)cc1	ZINC000108643597	571426508	/nfs/dbraw/zinc/42/65/08/571426508.db2.gz	SLGXZOPFOPMUJS-UHFFFAOYSA-N	0	0	587.705	3.302	50	0		KGAARN
CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cccc(O)c3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2	ZINC000108787475	1060061087	/nfs/dbraw/zinc/06/10/87/1060061087.db2.gz	CNNNCIGHRRNOFT-SCRHHBKZSA-N	0	0	526.570	3.370	50	0		KGAARN
CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cccc(O)c3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2	ZINC000108787479	1060061289	/nfs/dbraw/zinc/06/12/89/1060061289.db2.gz	CNNNCIGHRRNOFT-ARLGEPFESA-N	0	0	526.570	3.370	50	0		KGAARN
C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)CN3C(=O)N[C@@](C)(c4cccc5ccccc54)C3=O)cc2)C[C@H](C)O1	ZINC000108824967	571426777	/nfs/dbraw/zinc/42/67/77/571426777.db2.gz	AQGWCASSUGNQAL-ILLIAVPXSA-N	0	0	550.637	3.043	50	0		KGAARN
C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)CN3C(=O)N[C@@](C)(c4cccc5ccccc54)C3=O)cc2)C[C@@H](C)O1	ZINC000108824970	571426780	/nfs/dbraw/zinc/42/67/80/571426780.db2.gz	AQGWCASSUGNQAL-BCRFLOQVSA-N	0	0	550.637	3.043	50	0		KGAARN
CC(=O)Nc1ccc(S(=O)(=O)N(C)c2ccc(OCC(=O)OCC(=O)N[C@@H]3CCC[C@H](C)[C@@H]3C)cc2)cc1	ZINC000108860578	571426944	/nfs/dbraw/zinc/42/69/44/571426944.db2.gz	DPWVEYWTMFUYMZ-XHNVNVPESA-N	0	0	545.658	3.333	50	0		KGAARN
CC(=O)Nc1ccc(S(=O)(=O)N(C)c2ccc(OCC(=O)OCC(=O)N[C@@H]3CCC[C@@H](C)[C@@H]3C)cc2)cc1	ZINC000108860583	571426906	/nfs/dbraw/zinc/42/69/06/571426906.db2.gz	DPWVEYWTMFUYMZ-HHJKRLRDSA-N	0	0	545.658	3.333	50	0		KGAARN
COc1cc([C@@H]2NC(=S)NC(C)=C2C(=O)Nc2ccc(C)cc2)ccc1OCC(=O)N1C[C@H](C)O[C@@H](C)C1	ZINC000110526385	571431443	/nfs/dbraw/zinc/43/14/43/571431443.db2.gz	RDKDARZOMMLDQF-XWXLMPLOSA-N	0	0	538.670	3.450	50	0		KGAARN
Cc1ccc(N2C(=O)[C@@H]3[C@H](c4cccc(O)c4)[NH2+][C@@](Cc4ccccc4)(C(=O)[O-])[C@H]3C2=O)c([N+](=O)[O-])c1	ZINC000110564469	571431636	/nfs/dbraw/zinc/43/16/36/571431636.db2.gz	HKDBSVKMNUWTEH-NBCVKUGOSA-N	0	0	501.495	3.125	50	0		KGAARN
Cc1ccc(N2C(=O)[C@@H]3[C@H](c4cccc(O)c4)[NH2+][C@](Cc4ccccc4)(C(=O)[O-])[C@H]3C2=O)c([N+](=O)[O-])c1	ZINC000110564476	571431649	/nfs/dbraw/zinc/43/16/49/571431649.db2.gz	HKDBSVKMNUWTEH-GIRPNKPCSA-N	0	0	501.495	3.125	50	0		KGAARN
Nc1cccc(S[C@@H]2CC(=O)N(c3ccc(C(=O)OCC(=O)c4ccc5c(c4)OCO5)cc3)C2=O)c1	ZINC000113513530	571439540	/nfs/dbraw/zinc/43/95/40/571439540.db2.gz	OIKDEDVILHBDFD-HSZRJFAPSA-N	0	0	504.520	3.461	50	0		KGAARN
O=C(N/C(=C\c1ccc(I)o1)C(=O)N1CCN(c2cccnc2)CC1)c1ccccc1	ZINC000113561810	571440293	/nfs/dbraw/zinc/44/02/93/571440293.db2.gz	PNZOLNMXYAWSDQ-HKWRFOASSA-N	0	0	528.350	3.399	50	0		KGAARN
O=C(N/C(=C\c1ccc(I)o1)C(=O)N1CCN(c2ccccn2)CC1)c1ccccc1	ZINC000113562974	571440489	/nfs/dbraw/zinc/44/04/89/571440489.db2.gz	VKFYTWNWSBGOHV-MNDPQUGUSA-N	0	0	528.350	3.399	50	0		KGAARN
CC(C)(CO)c1cc2cc(NC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)c(F)cc2n1C[C@H](O)CO	ZINC000113568483	571440835	/nfs/dbraw/zinc/44/08/35/571440835.db2.gz	MJUVRTYWUMPBTR-INIZCTEOSA-N	0	0	520.504	3.395	50	0	in-vitro	KGAARN
COc1ccc(C(OC[C@@H]2O[C@H](n3ccc(=O)[nH]c3=O)C[C@@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1	ZINC000114833460	571443290	/nfs/dbraw/zinc/44/32/90/571443290.db2.gz	BYGKUWPLEGHFKX-NSVAZKTRSA-N	0	0	530.577	3.211	50	0		KGAARN
COc1ccc(C(OC[C@@H]2O[C@H](n3ccc(=O)[nH]c3=O)C[C@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1	ZINC000114833462	571443286	/nfs/dbraw/zinc/44/32/86/571443286.db2.gz	BYGKUWPLEGHFKX-PBWSGDRGSA-N	0	0	530.577	3.211	50	0		KGAARN
COC(=O)c1c(OCc2ccccc2)c(=O)c(C(=O)NCc2ccc(F)cc2F)cn1CC(OC)OC	ZINC000115957855	571443341	/nfs/dbraw/zinc/44/33/41/571443341.db2.gz	MKGWUEHHJABKDI-UHFFFAOYSA-N	0	0	516.497	3.041	50	0		KGAARN
C[C@@H]1CCO[C@H]2Cn3cc(C(=O)NCc4ccc(F)cc4F)c(=O)c(OCc4ccccc4)c3C(=O)N12	ZINC000118591738	571443473	/nfs/dbraw/zinc/44/34/73/571443473.db2.gz	RWEIORQEUUWOLH-ZHRRBRCNSA-N	0	0	509.509	3.226	50	0		KGAARN
Cc1c(NC(=O)NCCCCNC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c(=O)n(-c2ccccc2)n1C	ZINC000135637194	571448622	/nfs/dbraw/zinc/44/86/22/571448622.db2.gz	FRBPWOFTHCRWKJ-UHFFFAOYSA-N	0	0	546.632	3.006	50	0		KGAARN
CCCCCCOc1ccc(O[C@@H]2O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)cc1	ZINC000135995651	571449064	/nfs/dbraw/zinc/44/90/64/571449064.db2.gz	SAIBZJRVPYUMMD-WSGIOKLISA-N	0	0	524.563	3.108	50	0		KGAARN
CN(CC(=O)c1c(N)n(C2CC2)c(=O)[nH]c1=O)Cc1cn(Cc2ccccc2Cl)nc1-c1ccccc1	ZINC000139214700	571453096	/nfs/dbraw/zinc/45/30/96/571453096.db2.gz	ZMMRDXPDRFNWTL-UHFFFAOYSA-N	0	0	519.005	3.334	50	0		KGAARN
CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)O[C@H]1[C@H]2OC(C)(C)O[C@H]2O[C@H]1[C@@H]1COC(C)(C)O1	ZINC000139329920	571453071	/nfs/dbraw/zinc/45/30/71/571453071.db2.gz	YNIFGNHTUBRHLX-WWTQPZMISA-N	0	0	507.580	3.267	50	0		KGAARN
Cc1ccc(S(=O)(=O)NCC(CNS(=O)(=O)c2ccc(C)cc2)(CNS(=O)(=O)c2ccc(C)cc2)CNS(=O)(=O)c2ccc(C)cc2)cc1	ZINC000150342065	571458477	/nfs/dbraw/zinc/45/84/77/571458477.db2.gz	GYBZBBKBFCMOLQ-UHFFFAOYSA-N	0	0	748.971	3.120	50	0		KGAARN
COC(=O)C1=C(C(=O)OC)SC2(S1)C(C(=O)OC)=C(C(=O)OC)SC1=C2c2cc(C)c(C)c3c2N(C(=O)C3=O)C1(C)C	ZINC000150347292	571460797	/nfs/dbraw/zinc/46/07/97/571460797.db2.gz	QDUQJYRZMWYKEC-UHFFFAOYSA-N	0	0	631.706	3.417	50	0		KGAARN
COc1ccc(CCNC(=O)/C(=C/c2cn(S(=O)(=O)N(C)C)c3ccccc23)NC(=O)c2ccc(OC)c(OC)c2)cc1OC	ZINC000150348762	571461170	/nfs/dbraw/zinc/46/11/70/571461170.db2.gz	JZEDOPYHTXSOCT-BWAHOGKJSA-N	0	0	636.727	3.460	50	0		KGAARN
CC1(C)O[C@@H]2O[C@H]([C@H](COC(=O)CNC(=O)OCc3ccccc3)OC(=O)CNC(=O)OCc3ccccc3)[C@@H](OC(=O)CNC(=O)OCc3ccccc3)[C@@H]2O1	ZINC000150349149	571461453	/nfs/dbraw/zinc/46/14/53/571461453.db2.gz	UWNHGNFQFGCESF-CYFAZSMQSA-N	0	0	793.779	3.009	50	0		KGAARN
COc1ccc(C(OC[C@H]2O[C@@H](n3cc(I)c(=O)[nH]c3=O)[C@H](OC)[C@@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1	ZINC000150350444	571461898	/nfs/dbraw/zinc/46/18/98/571461898.db2.gz	VYNNFLLSYDWMCJ-LTGLEFCMSA-N	0	0	686.499	3.440	50	0		KGAARN
COC(=O)C1=C(C(=O)OC)SC2(S1)C(C(=O)OC)=C(C(=O)OC)SC1=C2c2cc(C)ccc2N(C(=O)CN2C(=O)CCC2=O)C1(C)C	ZINC000150363280	571464272	/nfs/dbraw/zinc/46/42/72/571464272.db2.gz	MLSOXOMMTAVVDQ-UHFFFAOYSA-N	0	0	702.785	3.061	50	0		KGAARN
CCOc1ccc2c(c1)C1=C(SC(C(=O)OC)=C(C(=O)OC)C13SC(C(=O)OC)=C(C(=O)OC)S3)C(C)(C)N2C(=O)CN1C(=O)CCC1=O	ZINC000150363283	571464222	/nfs/dbraw/zinc/46/42/22/571464222.db2.gz	DEGRPBNRVFTIQJ-UHFFFAOYSA-N	0	0	732.811	3.151	50	0		KGAARN
O=C(CCCCCN1C(=O)c2ccccc2C1=O)N1CCOCCN(C(=O)CCCCCN2C(=O)c3ccccc3C2=O)CCOCC1	ZINC000150368272	571465391	/nfs/dbraw/zinc/46/53/91/571465391.db2.gz	YGIZIJITHKYQJO-UHFFFAOYSA-N	0	0	660.768	3.404	50	0		KGAARN
O=C(CCCCCN1C(=O)c2ccccc2C1=O)N1CCOCCOCCN(C(=O)CCCCCN2C(=O)c3ccccc3C2=O)CCOCC1	ZINC000150368275	571465358	/nfs/dbraw/zinc/46/53/58/571465358.db2.gz	AUDSWBHBHIKFGE-UHFFFAOYSA-N	0	0	704.821	3.420	50	0		KGAARN
CC(=O)OC[C@@H]1O[C@@H](Oc2ccc3c(c2)occ(-c2ccc4c(c2)OCCCO4)c3=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	ZINC000150377708	571466530	/nfs/dbraw/zinc/46/65/30/571466530.db2.gz	BLRBRAOBLXHYAY-LYTRPQFFSA-N	0	0	640.594	3.083	50	0		KGAARN
Cc1ccc(S(=O)(=O)N[C@H](CC(C)C)C(=O)N2CCOCCN(C(=O)[C@H](CC(C)C)NS(=O)(=O)c3ccc(C)cc3)CCOCC2)cc1	ZINC000150386874	571469533	/nfs/dbraw/zinc/46/95/33/571469533.db2.gz	PHOHZRJJQXIHIR-MEKGRNQZSA-N	0	0	708.944	3.094	50	0		KGAARN
Cc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)N2CCOCCN(C(=O)[C@H](Cc3ccccc3)NS(=O)(=O)c3ccc(C)cc3)CCOCC2)cc1	ZINC000150386879	571469581	/nfs/dbraw/zinc/46/95/81/571469581.db2.gz	GYNVHAUQCBEJRA-MAZIBIHTSA-N	0	0	776.978	3.487	50	0		KGAARN
Cc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)N2CCOCCN(C(=O)[C@@H](Cc3ccccc3)NS(=O)(=O)c3ccc(C)cc3)CCOCC2)cc1	ZINC000150386880	571469594	/nfs/dbraw/zinc/46/95/94/571469594.db2.gz	GYNVHAUQCBEJRA-XPSQVAKYSA-N	0	0	776.978	3.487	50	0		KGAARN
Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCOCCN(C(=O)[C@H](Cc3ccccc3)NS(=O)(=O)c3ccc(C)cc3)CCOCC2)cc1	ZINC000150386881	571469554	/nfs/dbraw/zinc/46/95/54/571469554.db2.gz	GYNVHAUQCBEJRA-UWXQCODUSA-N	0	0	776.978	3.487	50	0		KGAARN
Cc1ccc(S(=O)(=O)N[C@H](CC(C)C)C(=O)N2CCOCCOCCN(C(=O)[C@H](CC(C)C)NS(=O)(=O)c3ccc(C)cc3)CCOCC2)cc1	ZINC000150386885	571469590	/nfs/dbraw/zinc/46/95/90/571469590.db2.gz	KTHOLWCFQOJMJH-AQOUDTPCSA-N	0	0	752.997	3.110	50	0		KGAARN
Cc1nnc(NC(=O)CSc2nnc(CNC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)n2-c2cccc(C(F)(F)F)c2)s1	ZINC000150387516	571470123	/nfs/dbraw/zinc/47/01/23/571470123.db2.gz	NACOJXVGXWKQCE-UHFFFAOYSA-N	0	0	682.732	3.128	50	0		KGAARN
CCN(CC)S(=O)(=O)c1ccc(C(=O)NCc2nnc(SCC(=O)Nc3nccs3)n2-c2cc(OC)ccc2OC)cc1	ZINC000150387564	571470159	/nfs/dbraw/zinc/47/01/59/571470159.db2.gz	XMIMHTNJTJZWGA-UHFFFAOYSA-N	0	0	645.789	3.432	50	0		KGAARN
CCN(CC)S(=O)(=O)c1ccc(C(=O)NCc2nnc(SCC(=O)Nc3nnc(C)s3)n2-c2cc(OC)ccc2OC)cc1	ZINC000150387565	571470172	/nfs/dbraw/zinc/47/01/72/571470172.db2.gz	ZXTBYHMFRROIEH-UHFFFAOYSA-N	0	0	660.804	3.136	50	0		KGAARN
COc1ccc(C2=NN(C(=O)CSc3nnc(CNC(=O)c4ccc(S(=O)(=O)N(C)C)cc4)n3C)[C@H](c3ccc(OC)cc3)C2)cc1	ZINC000150388047	571470550	/nfs/dbraw/zinc/47/05/50/571470550.db2.gz	YHKDXXVOJWHHFT-NDEPHWFRSA-N	0	0	677.809	3.483	50	0		KGAARN
COc1ccc(C2=NN(C(=O)CSc3nnc(CNC(=O)c4ccc(S(=O)(=O)N(C)C)cc4)n3C)[C@@H](c3ccc(OC)cc3)C2)cc1	ZINC000150388048	571470609	/nfs/dbraw/zinc/47/06/09/571470609.db2.gz	YHKDXXVOJWHHFT-MUUNZHRXSA-N	0	0	677.809	3.483	50	0		KGAARN
COC(=O)Cn1c(=O)c(C(=O)CSc2nc3sc(C)c(C)c3c(=O)n2Cc2ccccc2)c(N)n(Cc2ccccc2)c1=O	ZINC000150388809	571471070	/nfs/dbraw/zinc/47/10/70/571471070.db2.gz	XLJSVGSBEBKSKH-UHFFFAOYSA-N	0	0	631.736	3.225	50	0		KGAARN
NS(=O)(=O)c1ccc(CCNC(=O)CCCn2c(=O)c3sccc3nc2SCc2cc(=O)n3cc(Br)ccc3n2)cc1	ZINC000150390101	571472413	/nfs/dbraw/zinc/47/24/13/571472413.db2.gz	RULGEENNDORXOO-UHFFFAOYSA-N	0	0	689.639	3.307	50	0		KGAARN
C[C@H](OC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCc3ccccc32)c1)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1	ZINC000150390755	571472973	/nfs/dbraw/zinc/47/29/73/571472973.db2.gz	CSCSLJZQQUOOSX-IBGZPJMESA-N	0	0	634.132	3.296	50	0		KGAARN
C[C@@H](OC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCc3ccccc32)c1)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1	ZINC000150390756	571472999	/nfs/dbraw/zinc/47/29/99/571472999.db2.gz	CSCSLJZQQUOOSX-LJQANCHMSA-N	0	0	634.132	3.296	50	0		KGAARN
COCCN(C(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1)CCC3)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	ZINC000150392018	571474311	/nfs/dbraw/zinc/47/43/11/571474311.db2.gz	WXOMINILAPIPIC-UHFFFAOYSA-N	0	0	644.779	3.497	50	0		KGAARN
CCOC(=O)c1ccc(NC(=O)COC(=O)c2ccc3c(c2)C(=O)N([C@@H](C)C(=O)OCC(=O)Nc2ccc(C(=O)OCC)cc2)C3=O)cc1	ZINC000150392052	571474292	/nfs/dbraw/zinc/47/42/92/571474292.db2.gz	PMNSBUXTNVCMGB-IBGZPJMESA-N	0	0	673.631	3.002	50	0		KGAARN
CCOC(=O)c1ccc(NC(=O)COC(=O)c2ccc3c(c2)C(=O)N([C@H](C)C(=O)OCC(=O)Nc2ccc(C(=O)OCC)cc2)C3=O)cc1	ZINC000150392053	571474248	/nfs/dbraw/zinc/47/42/48/571474248.db2.gz	PMNSBUXTNVCMGB-LJQANCHMSA-N	0	0	673.631	3.002	50	0		KGAARN
Nc1c(I)cc(I)c(C(=O)OCC(=O)NCc2ccc3c(c2)OCO3)c1I	ZINC000150395856	571476191	/nfs/dbraw/zinc/47/61/91/571476191.db2.gz	JELXSLCOTHLAAP-UHFFFAOYSA-N	0	0	706.012	3.285	50	0		KGAARN
Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CSc1nnc(SCC(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2C)s1	ZINC000150396986	571476833	/nfs/dbraw/zinc/47/68/33/571476833.db2.gz	ZEHWSXODXANPBJ-UHFFFAOYSA-N	0	0	658.875	3.117	50	0		KGAARN
COC(=O)C1=C(C)N=c2s/c(=C3/c4ccccc4N(Cc4ccc(F)cc4)C3=O)c(=O)n2[C@H]1c1ccc(OC(C)=O)c(OC)c1	ZINC000150399384	571477588	/nfs/dbraw/zinc/47/75/88/571477588.db2.gz	VCIKVMMNJDJODG-SUUDBTLLSA-N	0	0	627.650	3.398	50	0		KGAARN
COC(=O)C1=C(C)N=c2s/c(=C3/c4ccccc4N(Cc4ccc(F)cc4)C3=O)c(=O)n2[C@@H]1c1ccc(OC(C)=O)c(OC)c1	ZINC000150399388	571477593	/nfs/dbraw/zinc/47/75/93/571477593.db2.gz	VCIKVMMNJDJODG-PGFYKJRFSA-N	0	0	627.650	3.398	50	0		KGAARN
COC(=O)C1=C(C)N=c2s/c(=C3/c4ccccc4N(Cc4ccccc4F)C3=O)c(=O)n2[C@H]1c1ccc(OC(C)=O)c(OC)c1	ZINC000150399431	571477737	/nfs/dbraw/zinc/47/77/37/571477737.db2.gz	YSRCHIGVCNJICY-SUUDBTLLSA-N	0	0	627.650	3.398	50	0		KGAARN
COC(=O)C1=C(C)N=c2s/c(=C3/c4ccccc4N(Cc4ccccc4F)C3=O)c(=O)n2[C@@H]1c1ccc(OC(C)=O)c(OC)c1	ZINC000150399434	571477708	/nfs/dbraw/zinc/47/77/08/571477708.db2.gz	YSRCHIGVCNJICY-PGFYKJRFSA-N	0	0	627.650	3.398	50	0		KGAARN
Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccc(Cl)cc1	ZINC000150400251	571477915	/nfs/dbraw/zinc/47/79/15/571477915.db2.gz	HPNOYQCUMWEGHE-MUUNZHRXSA-N	0	0	675.185	3.222	50	0		KGAARN
Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)COC(=O)[C@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccc(Cl)cc1	ZINC000150400255	571477865	/nfs/dbraw/zinc/47/78/65/571477865.db2.gz	HPNOYQCUMWEGHE-NDEPHWFRSA-N	0	0	675.185	3.222	50	0		KGAARN
CCCCn1c(CCC(=O)OCC(=O)Nc2cc(S(=O)(=O)N(CC)CC)ccc2C)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	ZINC000150402238	571478406	/nfs/dbraw/zinc/47/84/06/571478406.db2.gz	BWQRQAOXFXVBNU-UHFFFAOYSA-N	0	0	677.846	3.311	50	0		KGAARN
NS(=O)(=O)c1ccc(CCNC(=O)CSc2nc3c(sc(=S)n3C[C@@H]3CCCO3)c(=O)n2-c2ccc(F)cc2)cc1	ZINC000150404681	571479096	/nfs/dbraw/zinc/47/90/96/571479096.db2.gz	JNXOTICDSDUWLH-IBGZPJMESA-N	0	0	635.790	3.395	50	0		KGAARN
NS(=O)(=O)c1ccc(CCNC(=O)CSc2nc3c(sc(=S)n3C[C@H]3CCCO3)c(=O)n2-c2ccc(F)cc2)cc1	ZINC000150404685	571479107	/nfs/dbraw/zinc/47/91/07/571479107.db2.gz	JNXOTICDSDUWLH-LJQANCHMSA-N	0	0	635.790	3.395	50	0		KGAARN
CCOC(=O)C1=c2oc(=O)/c(=C\c3cc(Br)ccc3F)n2-c2oc(N)nc2[C@@H]1c1cc(Br)ccc1F	ZINC000150406785	571480028	/nfs/dbraw/zinc/48/00/28/571480028.db2.gz	NTTCFZJIMGLVHF-QLGNDSFESA-N	0	0	623.204	3.492	50	0		KGAARN
CCOC(=O)C1=c2oc(=O)/c(=C\c3cc(Br)ccc3F)n2-c2oc(N)nc2[C@H]1c1cc(Br)ccc1F	ZINC000150406787	571479996	/nfs/dbraw/zinc/47/99/96/571479996.db2.gz	NTTCFZJIMGLVHF-BDBSJLECSA-N	0	0	623.204	3.492	50	0		KGAARN
O=C(CSc1nnc(CNC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)n1-c1cccc(C(F)(F)F)c1)Nc1nccs1	ZINC000150407786	571480289	/nfs/dbraw/zinc/48/02/89/571480289.db2.gz	LLYZTSSBFGSXTA-UHFFFAOYSA-N	0	0	667.717	3.424	50	0		KGAARN
COc1ccc(CCNC(=O)CSC2=Nc3ccccc3C3=N[C@H](CC(=O)N4CCN(c5ccccc5)CC4)C(=O)N32)cc1OC	ZINC000150408587	571480871	/nfs/dbraw/zinc/48/08/71/571480871.db2.gz	JHSYJCZWCFFEIY-HHHXNRCGSA-N	0	0	640.766	3.493	50	0		KGAARN
COc1ccc(CCNC(=O)CSC2=Nc3ccccc3C3=N[C@@H](CC(=O)N4CCN(c5ccccc5)CC4)C(=O)N32)cc1OC	ZINC000150408590	571480935	/nfs/dbraw/zinc/48/09/35/571480935.db2.gz	JHSYJCZWCFFEIY-MHZLTWQESA-N	0	0	640.766	3.493	50	0		KGAARN
CCC(=O)N1CCc2cc(Br)c(S(=O)(=O)N3CCC[C@H](C(=O)Nc4cc(C(=O)OC)cc(C(=O)OC)c4)C3)cc21	ZINC000150409060	571481386	/nfs/dbraw/zinc/48/13/86/571481386.db2.gz	BSCDMGQWMBLHEJ-KRWDZBQOSA-N	0	0	636.521	3.361	50	0		KGAARN
CCC(=O)N1CCc2cc(Br)c(S(=O)(=O)N3CCC[C@@H](C(=O)Nc4cc(C(=O)OC)cc(C(=O)OC)c4)C3)cc21	ZINC000150409065	571481388	/nfs/dbraw/zinc/48/13/88/571481388.db2.gz	BSCDMGQWMBLHEJ-QGZVFWFLSA-N	0	0	636.521	3.361	50	0		KGAARN
CCC(=O)N1CCc2cc(Br)c(S(=O)(=O)N3CCC[C@H](C(=O)N4CCN(Cc5ccc6c(c5)OCO6)CC4)C3)cc21	ZINC000150409222	571481350	/nfs/dbraw/zinc/48/13/50/571481350.db2.gz	NGRKRLVCOBSCBX-QFIPXVFZSA-N	0	0	647.592	3.222	50	0		KGAARN
CCC(=O)N1CCc2cc(Br)c(S(=O)(=O)N3CCC[C@@H](C(=O)N4CCN(Cc5ccc6c(c5)OCO6)CC4)C3)cc21	ZINC000150409225	571481374	/nfs/dbraw/zinc/48/13/74/571481374.db2.gz	NGRKRLVCOBSCBX-JOCHJYFZSA-N	0	0	647.592	3.222	50	0		KGAARN
O=C(Nc1nnc2nc(C3(c4nc5nnc(NC(=O)Nc6ccc(Cl)cc6)n5[nH]c4=O)Cc4ccccc4C3=O)c(=O)[nH]n21)Nc1ccc(Cl)cc1	ZINC000150409705	571482109	/nfs/dbraw/zinc/48/21/09/571482109.db2.gz	FKBVZJAKIZSVQE-UHFFFAOYSA-N	0	0	739.500	3.259	50	0		KGAARN
Cn1c(CNC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)nnc1SCC(=O)N1N=C(c2cccs2)C[C@H]1c1ccc(F)cc1	ZINC000150410023	571482411	/nfs/dbraw/zinc/48/24/11/571482411.db2.gz	NHYXTRJLIRRKTC-VWLOTQADSA-N	0	0	683.813	3.437	50	0		KGAARN
Cn1c(CNC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)nnc1SCC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccc(F)cc1	ZINC000150410027	571482339	/nfs/dbraw/zinc/48/23/39/571482339.db2.gz	NHYXTRJLIRRKTC-RUZDIDTESA-N	0	0	683.813	3.437	50	0		KGAARN
O=C(NC(=S)NC(=O)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O)[C@@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O	ZINC000150411669	571483889	/nfs/dbraw/zinc/48/38/89/571483889.db2.gz	ZPOKQOVCKRXASF-HNRBIFIRSA-N	0	0	630.682	3.319	50	0		KGAARN
O=C(NC(=S)NC(=O)[C@@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O)[C@@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O	ZINC000150411679	571483949	/nfs/dbraw/zinc/48/39/49/571483949.db2.gz	ZPOKQOVCKRXASF-VSGBNLITSA-N	0	0	630.682	3.319	50	0		KGAARN
O=C(NC(=S)NC(=O)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O	ZINC000150411683	571483940	/nfs/dbraw/zinc/48/39/40/571483940.db2.gz	ZPOKQOVCKRXASF-NSOVKSMOSA-N	0	0	630.682	3.319	50	0		KGAARN
COc1ccccc1N1CCN(S(=O)(=O)c2c(C)sc3ncn(CC(=O)N4CCN(c5cccc(Cl)c5)CC4)c(=O)c32)CC1	ZINC000150413077	571484552	/nfs/dbraw/zinc/48/45/52/571484552.db2.gz	CSVCLCNRXRCDNC-UHFFFAOYSA-N	0	0	657.218	3.288	50	0		KGAARN
COc1ccc(N(CC(=O)N2CCN(C(=O)CN(c3ccc(OC)cc3)S(=O)(=O)c3ccccc3)CC2)S(=O)(=O)c2ccccc2)cc1	ZINC000150413543	1060025262	/nfs/dbraw/zinc/02/52/62/1060025262.db2.gz	PBWMHRKZYWNWHX-UHFFFAOYSA-N	0	0	692.816	3.465	50	0		KGAARN
COc1ccc(C2=NN(C(=O)CSc3nc4c(cnn4-c4ccc(S(N)(=O)=O)cc4)c(=O)[nH]3)[C@H](c3ccc(F)cc3)C2)cc1	ZINC000150419480	571486980	/nfs/dbraw/zinc/48/69/80/571486980.db2.gz	LRDQZZIJYPBROW-VWLOTQADSA-N	0	0	633.687	3.374	50	0		KGAARN
COc1ccc(C2=NN(C(=O)CSc3nc4c(cnn4-c4ccc(S(N)(=O)=O)cc4)c(=O)[nH]3)[C@@H](c3ccc(F)cc3)C2)cc1	ZINC000150419484	571487015	/nfs/dbraw/zinc/48/70/15/571487015.db2.gz	LRDQZZIJYPBROW-RUZDIDTESA-N	0	0	633.687	3.374	50	0		KGAARN
COc1ccc(C2=NN(C(=O)CSc3nc4c(cnn4-c4ccc(S(N)(=O)=O)cc4)c(=O)[nH]3)[C@H](c3ccc(OC)cc3)C2)cc1	ZINC000150419491	571487008	/nfs/dbraw/zinc/48/70/08/571487008.db2.gz	HPWZZAFUKOJQNC-SANMLTNESA-N	0	0	645.723	3.243	50	0		KGAARN
COc1ccc(C2=NN(C(=O)CSc3nc4c(cnn4-c4ccc(S(N)(=O)=O)cc4)c(=O)[nH]3)[C@@H](c3ccc(OC)cc3)C2)cc1	ZINC000150419498	571487011	/nfs/dbraw/zinc/48/70/11/571487011.db2.gz	HPWZZAFUKOJQNC-AREMUKBSSA-N	0	0	645.723	3.243	50	0		KGAARN
COc1ccc(C2=NN(C(=O)CSc3nc4c(cnn4-c4ccc(S(N)(=O)=O)cc4)c(=O)[nH]3)[C@H](c3cccc(OC)c3OC)C2)cc1	ZINC000150419521	571487037	/nfs/dbraw/zinc/48/70/37/571487037.db2.gz	VVEHFIDGVUCNGA-VWLOTQADSA-N	0	0	675.749	3.252	50	0		KGAARN
COc1ccc(C2=NN(C(=O)CSc3nc4c(cnn4-c4ccc(S(N)(=O)=O)cc4)c(=O)[nH]3)[C@@H](c3cccc(OC)c3OC)C2)cc1	ZINC000150419527	571486941	/nfs/dbraw/zinc/48/69/41/571486941.db2.gz	VVEHFIDGVUCNGA-RUZDIDTESA-N	0	0	675.749	3.252	50	0		KGAARN
CCOC(=O)C1=c2s/c(=C\c3cccc(Br)c3)c(=O)n2C(N)=C(C(=O)OCC)[C@@H]1c1cccc(Br)c1	ZINC000150422976	571488689	/nfs/dbraw/zinc/48/86/89/571488689.db2.gz	HVWOQJUNPCAJIV-OVCORXIESA-N	0	0	634.346	3.465	50	0		KGAARN
CCOC(=O)C1=c2s/c(=C\c3cccc(Br)c3)c(=O)n2C(N)=C(C(=O)OCC)[C@H]1c1cccc(Br)c1	ZINC000150422979	571488681	/nfs/dbraw/zinc/48/86/81/571488681.db2.gz	HVWOQJUNPCAJIV-XLXASQRYSA-N	0	0	634.346	3.465	50	0		KGAARN
Cc1nn2c(c1I)-n1nc(C)c(I)c1-n1nc(C)c(I)c1-2	ZINC000150423942	1060025287	/nfs/dbraw/zinc/02/52/87/1060025287.db2.gz	PYHACSMSRSOMOH-UHFFFAOYSA-N	0	0	617.958	3.296	50	0		KGAARN
CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)OC[C@@H]1O[C@@H](Oc2ccc3c(c2)occ(-c2ccc4c(c2)OCCO4)c3=O)[C@@H](O)[C@@H](O)[C@@H]1O	ZINC000150426273	571490540	/nfs/dbraw/zinc/49/05/40/571490540.db2.gz	JXCDWBSOTYSNDX-YFHKYPHDSA-N	0	0	705.713	3.097	50	0		KGAARN
CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)OC[C@@H]1O[C@@H](Oc2ccc3c(c2)occ(-c2ccc4c(c2)OCCO4)c3=O)[C@@H](O)[C@H](O)[C@@H]1O	ZINC000150426282	571490519	/nfs/dbraw/zinc/49/05/19/571490519.db2.gz	JXCDWBSOTYSNDX-GLNOUBPNSA-N	0	0	705.713	3.097	50	0		KGAARN
Cc1cc(NC(=O)CSc2nc3ccccc3c(=O)n2CCn2c(=O)c3ccccc3nc2SCC(=O)Nc2cc(C)[nH]n2)n[nH]1	ZINC000150428213	571491968	/nfs/dbraw/zinc/49/19/68/571491968.db2.gz	GWZLFPQZACLFBS-UHFFFAOYSA-N	0	0	656.754	3.331	50	0		KGAARN
COc1ccc(CCNC(=O)CSc2nc3cc4c(cc3c(=O)n2CCC(=O)NCc2ccc3c(c2)OCO3)OCO4)cc1OC	ZINC000150429693	571493059	/nfs/dbraw/zinc/49/30/59/571493059.db2.gz	HPMWYWBQNGSCFN-UHFFFAOYSA-N	0	0	648.694	3.029	50	0		KGAARN
COc1ccc(CCNC(=O)CSc2nc3cc4c(cc3c(=O)n2CCCC(=O)NCc2ccc3c(c2)OCO3)OCO4)cc1OC	ZINC000150429698	571492946	/nfs/dbraw/zinc/49/29/46/571492946.db2.gz	YLTYJHJFAZIRJI-UHFFFAOYSA-N	0	0	662.721	3.419	50	0		KGAARN
Cc1c(N(C)S(=O)(=O)c2cccc(C(=O)Nc3ccc(Cl)c(S(=O)(=O)N4CCOCC4)c3)c2)c(=O)n(-c2ccccc2)n1C	ZINC000150436737	571496384	/nfs/dbraw/zinc/49/63/84/571496384.db2.gz	JAXBSKJBJSATTF-UHFFFAOYSA-N	0	0	660.174	3.236	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(OC)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1	ZINC000150439012	571497236	/nfs/dbraw/zinc/49/72/36/571497236.db2.gz	ATNDUSFTRPGDAX-VVOOWDFBSA-N	0	0	650.491	3.437	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(OC)c(OC)c3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1	ZINC000150439019	571497166	/nfs/dbraw/zinc/49/71/66/571497166.db2.gz	ATNDUSFTRPGDAX-JUTHHCEFSA-N	0	0	650.491	3.437	50	0		KGAARN
O=C(CSc1nc2cc3c(cc2c(=O)n1Cc1ccc(C(=O)NCc2ccc4c(c2)OCO4)cc1)OCO3)NC[C@@H]1CCCO1	ZINC000150440631	571498014	/nfs/dbraw/zinc/49/80/14/571498014.db2.gz	FABGBJKRPFTZGT-QFIPXVFZSA-N	0	0	630.679	3.220	50	0		KGAARN
O=C(CSc1nc2cc3c(cc2c(=O)n1Cc1ccc(C(=O)NCc2ccc4c(c2)OCO4)cc1)OCO3)NC[C@H]1CCCO1	ZINC000150440636	571498056	/nfs/dbraw/zinc/49/80/56/571498056.db2.gz	FABGBJKRPFTZGT-JOCHJYFZSA-N	0	0	630.679	3.220	50	0		KGAARN
COc1ccc(CCNC(=O)/C(=C/c2cn(S(=O)(=O)N(C)C)c3ccccc23)NC(=O)c2cc(OC)c(OC)c(OC)c2)cc1OC	ZINC000150441273	571498350	/nfs/dbraw/zinc/49/83/50/571498350.db2.gz	UPIRCKXOBJLORS-UQQQWYQISA-N	0	0	666.753	3.469	50	0		KGAARN
COCCCNC(=O)CSc1nc2cc3c(cc2c(=O)n1Cc1ccc(C(=O)NCCc2ccc(OC)c(OC)c2)cc1)OCO3	ZINC000150444660	571499834	/nfs/dbraw/zinc/49/98/34/571499834.db2.gz	LWGKPYRKHZNFHR-UHFFFAOYSA-N	0	0	648.738	3.408	50	0		KGAARN
CCOc1cc2c3c(c1)C1=C(SC(C(=O)OC)=C(C(=O)OC)C14SC(C(=O)OC)=C(C(=O)OC)S4)C(C)(C)N3C(=O)C2=O	ZINC000150444693	571499728	/nfs/dbraw/zinc/49/97/28/571499728.db2.gz	WAZARXFGZCEQBI-UHFFFAOYSA-N	0	0	647.705	3.199	50	0		KGAARN
COc1ccc(CCNC(=O)CCn2c(=O)c3cc4c(cc3nc2SCC(=O)NCCc2ccc(OC)c(OC)c2)OCO4)cc1OC	ZINC000150445454	571500528	/nfs/dbraw/zinc/50/05/28/571500528.db2.gz	VKTPVZWDGPJLKK-UHFFFAOYSA-N	0	0	678.764	3.360	50	0		KGAARN
O=C(c1ccc(N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c(NS(=O)(=O)c2ccc3c(c2)OCCO3)c1)N1CCC2(CC1)OCCO2	ZINC000150447250	571501324	/nfs/dbraw/zinc/50/13/24/571501324.db2.gz	ZYIWIDVNVNOTCA-VWNXMTODSA-N	0	0	648.738	3.023	50	0		KGAARN
Cc1ccc(S(=O)(=O)N2CCCN(Cn3c4ccccc4n(CN4CCCN(S(=O)(=O)c5ccc(C)cc5)CC4)c3=O)CC2)cc1	ZINC000150449790	571502262	/nfs/dbraw/zinc/50/22/62/571502262.db2.gz	KSJDSRABKXQTLG-UHFFFAOYSA-N	0	0	666.870	3.128	50	0		KGAARN
CCS(=O)(=O)N(CCOC)CC(=O)N(Cc1cccc(F)c1)C1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1	ZINC000150450588	571502458	/nfs/dbraw/zinc/50/24/58/571502458.db2.gz	CFAFVXRKBNUFFO-UHFFFAOYSA-N	0	0	634.590	3.068	50	0		KGAARN
O=C(COc1ccc(S(=O)(=O)N2CCOCC2)cc1)Nc1ccc(OC(F)(F)C(F)F)c(NC(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1	ZINC000150451150	571502793	/nfs/dbraw/zinc/50/27/93/571502793.db2.gz	UZKLIMMNFAKHRZ-UHFFFAOYSA-N	0	0	790.767	3.000	50	0		KGAARN
Cn1c2nc(SCCSc3nc4c(c(=O)[nH]c(=O)n4C)n3C[C@H](O)COc3ccc(Cl)cc3)n(C[C@H](O)COc3ccc(Cl)cc3)c2c(=O)[nH]c1=O	ZINC000150452217	571503167	/nfs/dbraw/zinc/50/31/67/571503167.db2.gz	VBUPLRXPEUFQAP-PMACEKPBSA-N	0	0	791.696	3.056	50	0		KGAARN
Cn1c2nc(SCCSc3nc4c(c(=O)[nH]c(=O)n4C)n3C[C@H](O)COc3ccc(Cl)cc3)n(C[C@@H](O)COc3ccc(Cl)cc3)c2c(=O)[nH]c1=O	ZINC000150452220	571503183	/nfs/dbraw/zinc/50/31/83/571503183.db2.gz	VBUPLRXPEUFQAP-BGYRXZFFSA-N	0	0	791.696	3.056	50	0		KGAARN
Cn1c2nc(SCCSc3nc4c(c(=O)[nH]c(=O)n4C)n3C[C@@H](O)COc3ccc(Cl)cc3)n(C[C@@H](O)COc3ccc(Cl)cc3)c2c(=O)[nH]c1=O	ZINC000150452224	571503169	/nfs/dbraw/zinc/50/31/69/571503169.db2.gz	VBUPLRXPEUFQAP-WOJBJXKFSA-N	0	0	791.696	3.056	50	0		KGAARN
Cc1c(NS(=O)(=O)c2cc(C(=O)Nc3ccc(F)c(S(=O)(=O)N4CCOCC4)c3)ccc2Cl)c(=O)n(-c2ccccc2)n1C	ZINC000150453634	571503616	/nfs/dbraw/zinc/50/36/16/571503616.db2.gz	CXUNSSAOOPNBHC-UHFFFAOYSA-N	0	0	664.137	3.351	50	0		KGAARN
Cc1ccc(N(CC(N)=O)[C@@H]2SC(=O)N(Cc3ccc(CN4C(=O)S[C@H](N(CC(N)=O)c5ccc(C)cc5)C4=O)cc3)C2=O)cc1	ZINC000150454229	571503966	/nfs/dbraw/zinc/50/39/66/571503966.db2.gz	BSWHBITXWUWHIN-RNPORBBMSA-N	0	0	660.778	3.330	50	0		KGAARN
Cc1ccc(N(CC(N)=O)[C@@H]2SC(=O)N(Cc3ccc(CN4C(=O)S[C@@H](N(CC(N)=O)c5ccc(C)cc5)C4=O)cc3)C2=O)cc1	ZINC000150454235	571503964	/nfs/dbraw/zinc/50/39/64/571503964.db2.gz	BSWHBITXWUWHIN-LOYHVIPDSA-N	0	0	660.778	3.330	50	0		KGAARN
Cc1cccc(N(CC(N)=O)[C@@H]2SC(=O)N(Cc3ccc(CN4C(=O)S[C@H](N(CC(N)=O)c5cccc(C)c5)C4=O)cc3)C2=O)c1	ZINC000150454243	571503986	/nfs/dbraw/zinc/50/39/86/571503986.db2.gz	UCXTYQHXORLSFW-RNPORBBMSA-N	0	0	660.778	3.330	50	0		KGAARN
Cc1cccc(N(CC(N)=O)[C@@H]2SC(=O)N(Cc3ccc(CN4C(=O)S[C@@H](N(CC(N)=O)c5cccc(C)c5)C4=O)cc3)C2=O)c1	ZINC000150454248	571503951	/nfs/dbraw/zinc/50/39/51/571503951.db2.gz	UCXTYQHXORLSFW-LOYHVIPDSA-N	0	0	660.778	3.330	50	0		KGAARN
CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)Nc3cc(S(=O)(=O)N(C)C)ccc3C)n2[C@@H](C)COC)c1	ZINC000150456769	571504731	/nfs/dbraw/zinc/50/47/31/571504731.db2.gz	ANPPBNWMUSWFTL-FQEVSTJZSA-N	0	0	638.838	3.473	50	0		KGAARN
CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)Nc3cc(S(=O)(=O)N(C)C)ccc3C)n2[C@H](C)COC)c1	ZINC000150456771	571504809	/nfs/dbraw/zinc/50/48/09/571504809.db2.gz	ANPPBNWMUSWFTL-HXUWFJFHSA-N	0	0	638.838	3.473	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(O)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1	ZINC000150468080	571508343	/nfs/dbraw/zinc/50/83/43/571508343.db2.gz	ZOUDXTNSUOGMJN-VMOHIOPYSA-N	0	0	636.464	3.134	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(O)c(OC)c3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1	ZINC000150468082	571508312	/nfs/dbraw/zinc/50/83/12/571508312.db2.gz	ZOUDXTNSUOGMJN-IYMWYRQMSA-N	0	0	636.464	3.134	50	0		KGAARN
CCCC[C@H](C(=O)N1CCOCCN(C(=O)[C@H](CCCC)N2C(=O)c3ccccc3C2=O)CCOCC1)N1C(=O)c2ccccc2C1=O	ZINC000150477366	571511220	/nfs/dbraw/zinc/51/12/20/571511220.db2.gz	URNRRTDJEMUGDQ-RNPORBBMSA-N	0	0	660.768	3.400	50	0		KGAARN
CCCC[C@H](C(=O)N1CCOCCN(C(=O)[C@@H](CCCC)N2C(=O)c3ccccc3C2=O)CCOCC1)N1C(=O)c2ccccc2C1=O	ZINC000150477370	571511263	/nfs/dbraw/zinc/51/12/63/571511263.db2.gz	URNRRTDJEMUGDQ-LOYHVIPDSA-N	0	0	660.768	3.400	50	0		KGAARN
CCCC[C@@H](C(=O)N1CCOCCN(C(=O)[C@H](CCCC)N2C(=O)c3ccccc3C2=O)CCOCC1)N1C(=O)c2ccccc2C1=O	ZINC000150477373	571511258	/nfs/dbraw/zinc/51/12/58/571511258.db2.gz	URNRRTDJEMUGDQ-KYJUHHDHSA-N	0	0	660.768	3.400	50	0		KGAARN
CCCC[C@H](C(=O)N1CCOCCOCCN(C(=O)[C@H](CCCC)N2C(=O)c3ccccc3C2=O)CCOCC1)N1C(=O)c2ccccc2C1=O	ZINC000150477380	571511198	/nfs/dbraw/zinc/51/11/98/571511198.db2.gz	NHDNAOFDQGXEKJ-MEKGRNQZSA-N	0	0	704.821	3.417	50	0		KGAARN
CCCC[C@H](C(=O)N1CCOCCOCCN(C(=O)[C@@H](CCCC)N2C(=O)c3ccccc3C2=O)CCOCC1)N1C(=O)c2ccccc2C1=O	ZINC000150477385	571511261	/nfs/dbraw/zinc/51/12/61/571511261.db2.gz	NHDNAOFDQGXEKJ-ROJLCIKYSA-N	0	0	704.821	3.417	50	0		KGAARN
CCCC[C@@H](C(=O)N1CCOCCOCCN(C(=O)[C@H](CCCC)N2C(=O)c3ccccc3C2=O)CCOCC1)N1C(=O)c2ccccc2C1=O	ZINC000150477389	571511287	/nfs/dbraw/zinc/51/12/87/571511287.db2.gz	NHDNAOFDQGXEKJ-ACHIHNKUSA-N	0	0	704.821	3.417	50	0		KGAARN
CCCC[C@H](C(=O)N1CCOCCOCCN(C(=O)[C@H](CCCC)N2C(=O)c3ccccc3C2=O)CCOCCOCC1)N1C(=O)c2ccccc2C1=O	ZINC000150477393	571511304	/nfs/dbraw/zinc/51/13/04/571511304.db2.gz	OBGOZYPAOJXGDH-AQOUDTPCSA-N	0	0	748.874	3.434	50	0		KGAARN
CCCC[C@H](C(=O)N1CCOCCOCCN(C(=O)[C@@H](CCCC)N2C(=O)c3ccccc3C2=O)CCOCCOCC1)N1C(=O)c2ccccc2C1=O	ZINC000150477398	571511280	/nfs/dbraw/zinc/51/12/80/571511280.db2.gz	OBGOZYPAOJXGDH-KKLWWLSJSA-N	0	0	748.874	3.434	50	0		KGAARN
CCCC[C@@H](C(=O)N1CCOCCOCCN(C(=O)[C@H](CCCC)N2C(=O)c3ccccc3C2=O)CCOCCOCC1)N1C(=O)c2ccccc2C1=O	ZINC000150477399	571511272	/nfs/dbraw/zinc/51/12/72/571511272.db2.gz	OBGOZYPAOJXGDH-HEVIKAOCSA-N	0	0	748.874	3.434	50	0		KGAARN
O=C(COc1ccc(S(=O)(=O)N2CCOCC2)cc1)Nc1ccc(N2CCOCC2)c(S(=O)(=O)Nc2ccccc2Cl)c1	ZINC000150480539	571512086	/nfs/dbraw/zinc/51/20/86/571512086.db2.gz	RSJWFYOVPCSSKQ-UHFFFAOYSA-N	0	0	651.163	3.016	50	0		KGAARN
COCCOC(=O)C1=C(C)NC(C)=C(C(=O)OCCOC)C1c1cn(-c2ccccc2)nc1-c1ccc(S(=O)(=O)N(C)C)cc1	ZINC000150480678	571512134	/nfs/dbraw/zinc/51/21/34/571512134.db2.gz	SADULGHGPSZYST-UHFFFAOYSA-N	0	0	638.743	3.404	50	0		KGAARN
CC(=O)Nc1c(I)c(NC(C)=O)c(I)c(C(=O)OCC(=O)Nc2ccc(C(N)=O)cc2)c1I	ZINC000150480842	571512288	/nfs/dbraw/zinc/51/22/88/571512288.db2.gz	OUTPKPRZBMCMJE-UHFFFAOYSA-N	0	0	790.090	3.312	50	0		KGAARN
COCCOC(=O)C1=C(C)NC(C)=C(C(=O)OCCOC)C1c1cn(-c2ccccc2)nc1-c1ccc(S(=O)(=O)N2CCOCC2)cc1	ZINC000150480872	571512298	/nfs/dbraw/zinc/51/22/98/571512298.db2.gz	FERCSOMFEOQERS-UHFFFAOYSA-N	0	0	680.780	3.174	50	0		KGAARN
COc1ccccc1N(CC(=O)Nc1ccc(C)c(S(=O)(=O)N2CCOCC2)c1)S(=O)(=O)c1ccc(OCC(=O)Nc2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)cc1	ZINC000150481079	571512267	/nfs/dbraw/zinc/51/22/67/571512267.db2.gz	DICVCYIEMXOAMK-UHFFFAOYSA-N	0	0	872.013	3.205	50	0		KGAARN
CC(=O)Nc1c(I)c(NC(C)=O)c(I)c(C(=O)OCC(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)c1I	ZINC000150481537	571512792	/nfs/dbraw/zinc/51/27/92/571512792.db2.gz	JEWFASOEZBVEPR-UHFFFAOYSA-N	0	0	854.199	3.463	50	0		KGAARN
COc1ccc(OC)c(S(=O)(=O)N2CCN(c3cc(S(=O)(=O)N(C)CCc4ccc(OC)c(OC)c4)ccc3OC)CC2)c1	ZINC000150483752	571514389	/nfs/dbraw/zinc/51/43/89/571514389.db2.gz	IFFDQHOHTZCOOH-UHFFFAOYSA-N	0	0	649.788	3.104	50	0		KGAARN
COCCN(C(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(F)c(Cl)c1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	ZINC000150495084	571517721	/nfs/dbraw/zinc/51/77/21/571517721.db2.gz	MHUOVWRPFWOEKO-UHFFFAOYSA-N	0	0	637.093	3.430	50	0		KGAARN
COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)COC(=O)c1cccc(S(=O)(=O)Nc2cc(C)ccc2Br)c1	ZINC000150495720	571517703	/nfs/dbraw/zinc/51/77/03/571517703.db2.gz	WCOCBFDCQSBCCI-UHFFFAOYSA-N	0	0	682.571	3.383	50	0		KGAARN
CCOC(=O)C1=c2s/c(=C\c3ccc(OC(C)C)c(OC)c3)c(=O)n2C(N)=C(C(=O)OC)[C@@H]1c1ccc(OC(C)C)c(OC)c1	ZINC000150495934	571517970	/nfs/dbraw/zinc/51/79/70/571517970.db2.gz	ODTCEANCKSBLSB-MLGNGQMDSA-N	0	0	638.739	3.142	50	0		KGAARN
CCOC(=O)C1=c2s/c(=C\c3ccc(OC(C)C)c(OC)c3)c(=O)n2C(N)=C(C(=O)OC)[C@H]1c1ccc(OC(C)C)c(OC)c1	ZINC000150495939	571517980	/nfs/dbraw/zinc/51/79/80/571517980.db2.gz	ODTCEANCKSBLSB-MJRUJHQZSA-N	0	0	638.739	3.142	50	0		KGAARN
COCCN(C(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(OC)c(Cl)c1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	ZINC000150497287	571518282	/nfs/dbraw/zinc/51/82/82/571518282.db2.gz	AQACMXOARHNNKZ-UHFFFAOYSA-N	0	0	649.129	3.300	50	0		KGAARN
NS(=O)(=O)c1ccc(NC(=O)CSc2nnc(-c3cccc(S(=O)(=O)N4CCOCC4)c3)n2C2CCCCCC2)cc1	ZINC000150500543	571518513	/nfs/dbraw/zinc/51/85/13/571518513.db2.gz	OLGGZLQYDQCUOZ-UHFFFAOYSA-N	0	0	634.806	3.240	50	0		KGAARN
COc1ccc(S(=O)(=O)N2CCc3cc(OC)c(OC)cc3C2)cc1N1CCN(C(=O)c2cc(OC)c(OC)c(OC)c2)CC1	ZINC000150500655	571518682	/nfs/dbraw/zinc/51/86/82/571518682.db2.gz	JXRYITNSKDUUFA-UHFFFAOYSA-N	0	0	641.743	3.448	50	0		KGAARN
COc1ccc(CCN(C)S(=O)(=O)c2ccc(OC)c(N3CCN(S(=O)(=O)c4ccc(OC)c(OC)c4)CC3)c2)cc1OC	ZINC000150500932	571518660	/nfs/dbraw/zinc/51/86/60/571518660.db2.gz	QNWUKPURROEQCT-UHFFFAOYSA-N	0	0	649.788	3.104	50	0		KGAARN
COc1ccc(CCN(C)S(=O)(=O)c2ccc(OC)c(N3CCN(S(=O)(=O)c4ccc(NC(C)=O)cc4)CC3)c2)cc1OC	ZINC000150500976	571518673	/nfs/dbraw/zinc/51/86/73/571518673.db2.gz	GELMRMNENQPHBN-UHFFFAOYSA-N	0	0	646.788	3.045	50	0		KGAARN
O=C(Cn1cc(I)c(=O)c(I)c1)N1CCN(c2cccc(C(F)(F)F)c2)CC1	ZINC000150508775	571519395	/nfs/dbraw/zinc/51/93/95/571519395.db2.gz	PCHGOSQFPJQFBM-UHFFFAOYSA-N	0	0	617.147	3.425	50	0		KGAARN
C[C@H](OC(=O)c1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1	ZINC000150509096	571519554	/nfs/dbraw/zinc/51/95/54/571519554.db2.gz	JAFQTIZJLWTTGH-SFHVURJKSA-N	0	0	652.545	3.455	50	0		KGAARN
C[C@@H](OC(=O)c1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1	ZINC000150509099	571519640	/nfs/dbraw/zinc/51/96/40/571519640.db2.gz	JAFQTIZJLWTTGH-GOSISDBHSA-N	0	0	652.545	3.455	50	0		KGAARN
O=C(COC(=O)c1cccnc1SCC(=O)N([C@@H]1CCS(=O)(=O)C1)C1CCCCC1)N([C@@H]1CCS(=O)(=O)C1)C1CCCCC1	ZINC000150509771	571519806	/nfs/dbraw/zinc/51/98/06/571519806.db2.gz	KLMCAAKVPMXDHK-JWQCQUIFSA-N	0	0	669.888	3.027	50	0		KGAARN
O=C(COC(=O)c1cccnc1SCC(=O)N([C@H]1CCS(=O)(=O)C1)C1CCCCC1)N([C@@H]1CCS(=O)(=O)C1)C1CCCCC1	ZINC000150509774	571519851	/nfs/dbraw/zinc/51/98/51/571519851.db2.gz	KLMCAAKVPMXDHK-RPBOFIJWSA-N	0	0	669.888	3.027	50	0		KGAARN
O=C(COC(=O)c1cccnc1SCC(=O)N([C@@H]1CCS(=O)(=O)C1)C1CCCCC1)N([C@H]1CCS(=O)(=O)C1)C1CCCCC1	ZINC000150509777	571519862	/nfs/dbraw/zinc/51/98/62/571519862.db2.gz	KLMCAAKVPMXDHK-LOSJGSFVSA-N	0	0	669.888	3.027	50	0		KGAARN
O=C(COC(=O)c1cccnc1SCC(=O)N([C@H]1CCS(=O)(=O)C1)C1CCCCC1)N([C@H]1CCS(=O)(=O)C1)C1CCCCC1	ZINC000150509780	571519845	/nfs/dbraw/zinc/51/98/45/571519845.db2.gz	KLMCAAKVPMXDHK-DQEYMECFSA-N	0	0	669.888	3.027	50	0		KGAARN
O=C(COC(=O)Cn1cc(I)c(=O)c(I)c1)Nc1ccccc1C(=O)c1ccccc1	ZINC000150512785	571520002	/nfs/dbraw/zinc/52/00/02/571520002.db2.gz	KYAIDMYRLROIAP-UHFFFAOYSA-N	0	0	642.187	3.470	50	0		KGAARN
COc1ccc(/C=C2\N=C(S[C@@H]3O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]3OC(C)=O)N(c3ccccc3)C2=O)cc1	ZINC000150597345	571522332	/nfs/dbraw/zinc/52/23/32/571522332.db2.gz	CVOUWPZPGDYHAW-XFNXHUKWSA-N	0	0	640.667	3.255	50	0		KGAARN
COc1ccc(/C=C2/N=C(S[C@@H]3O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]3OC(C)=O)N(c3ccccc3)C2=O)cc1	ZINC000150597348	571522390	/nfs/dbraw/zinc/52/23/90/571522390.db2.gz	CVOUWPZPGDYHAW-JZJHTTEMSA-N	0	0	640.667	3.255	50	0		KGAARN
O=C(Nc1nnc2[nH]c(=O)c(C(=C([O-])c3ccc(O)cc3)c3nn4c(NC(=O)Nc5ccc(Cl)cc5)nnc4[nH]c3=O)nn12)Nc1ccc(Cl)cc1	ZINC000150628713	571523877	/nfs/dbraw/zinc/52/38/77/571523877.db2.gz	NQUCTCOQMVWGKS-UHFFFAOYSA-N	0	0	743.488	3.254	50	0		KGAARN
CC(=O)Oc1ccccc1-c1nc2s/c(=C\c3cn(-c4ccccc4)nc3-c3ccc(S(=O)(=O)N4CCOCC4)cc3)c(=O)n2n1	ZINC000150629114	571523795	/nfs/dbraw/zinc/52/37/95/571523795.db2.gz	KXPOVPOSFUYHHR-USHMODERSA-N	0	0	654.730	3.165	50	0		KGAARN
COc1ccc(N2C(=O)/C(=C\c3cccs3)N=C2S[C@@H]2O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]2OC(C)=O)cc1	ZINC000150629629	571523900	/nfs/dbraw/zinc/52/39/00/571523900.db2.gz	KQCLFDVDJZCTSY-NTCBKKOKSA-N	0	0	646.696	3.317	50	0		KGAARN
O=C(Nc1nnc2[nH]c(=O)c(C3(c4nn5c(NC(=O)Nc6ccc(Cl)cc6)nnc5[nH]c4=O)Cc4ccccc4C3=O)nn12)Nc1ccc(Cl)cc1	ZINC000150640964	571524540	/nfs/dbraw/zinc/52/45/40/571524540.db2.gz	YELFJBZHKOXIBB-UHFFFAOYSA-N	0	0	739.500	3.259	50	0		KGAARN
C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)Nc3ccncc3NC(=O)c3ccc(S(=O)(=O)N4C[C@H](C)O[C@@H](C)C4)cc3)cc2)C[C@@H](C)O1	ZINC000150643228	571524871	/nfs/dbraw/zinc/52/48/71/571524871.db2.gz	NBBYESGCZCUTMK-LUKWVAJMSA-N	0	0	671.798	3.182	50	0		KGAARN
COc1cc2c(c(OC)c1OC)-c1ccc(NCCCC(=O)NCc3ccc(S(N)(=O)=O)cc3)c(=O)cc1[C@@H](NC(C)=O)CC2	ZINC000150653115	571525798	/nfs/dbraw/zinc/52/57/98/571525798.db2.gz	HWOWHTYRAWTQRR-VWLOTQADSA-N	0	0	638.743	3.019	50	0		KGAARN
COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](C)C(=O)N3CCN(C(=O)[C@@H]4COc5ccccc5O4)CC3)c(=O)cc1[C@@H](NC(C)=O)CC2	ZINC000150653161	571525921	/nfs/dbraw/zinc/52/59/21/571525921.db2.gz	VETIJTWGGAYTGL-FGRNRXQTSA-N	0	0	686.762	3.174	50	0		KGAARN
COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](C)C(=O)N3CCN(C(=O)[C@H]4COc5ccccc5O4)CC3)c(=O)cc1[C@@H](NC(C)=O)CC2	ZINC000150653163	571525897	/nfs/dbraw/zinc/52/58/97/571525897.db2.gz	VETIJTWGGAYTGL-HTAKXJSOSA-N	0	0	686.762	3.174	50	0		KGAARN
COc1cc2c(c(OC)c1OC)-c1ccc(NCC(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)c(=O)cc1[C@@H](NC(C)=O)CC2	ZINC000150653220	571525953	/nfs/dbraw/zinc/52/59/53/571525953.db2.gz	UQHLSWRLHYAKDL-SANMLTNESA-N	0	0	644.725	3.348	50	0		KGAARN
COc1cc2c(c(OC)c1OC)-c1ccc(N[C@H](C(=O)NCc3ccc(S(N)(=O)=O)cc3)C(C)C)c(=O)cc1[C@@H](NC(C)=O)CC2	ZINC000150653535	571526117	/nfs/dbraw/zinc/52/61/17/571526117.db2.gz	LPGHITLHCKPZKR-QCDSWUKFSA-N	0	0	652.770	3.263	50	0		KGAARN
COc1cc2c(c(OC)c1OC)-c1ccc(NCCCC(=O)NCCn3c4ccccc4[nH]c(=O)c3=O)c(=O)cc1[C@@H](NC(C)=O)CC2	ZINC000150653696	571526266	/nfs/dbraw/zinc/52/62/66/571526266.db2.gz	GTCWRFBLEZVQHG-DEOSSOPVSA-N	0	0	657.724	3.287	50	0		KGAARN
COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](CCSC)C(=O)NCc3ccc(S(N)(=O)=O)cc3)c(=O)cc1[C@@H](NC(C)=O)CC2	ZINC000150653817	571526322	/nfs/dbraw/zinc/52/63/22/571526322.db2.gz	GZIHKAMZJZTAIZ-BDYUSTAISA-N	0	0	684.837	3.360	50	0		KGAARN
CO[C@@H]1O[C@@H]2CO[C@H](c3ccccc3)O[C@@H]2[C@H](OC(=O)CNC(=O)OCc2ccccc2)[C@@H]1OC(=O)CNC(=O)OCc1ccccc1	ZINC000150662002	571527520	/nfs/dbraw/zinc/52/75/20/571527520.db2.gz	AVUMCTHORAUSFM-YYCPSNSJSA-N	0	0	664.664	3.148	50	0		KGAARN
CSCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H](CCC(=O)OC(C)(C)C)C(=O)N[C@H](CCCNC(N)=[NH2+])C(=O)[O-]	ZINC000150662016	571527516	/nfs/dbraw/zinc/52/75/16/571527516.db2.gz	GCQCHPCDHYWFIR-OZNIXHKMSA-N	0	0	712.870	3.086	50	0		KGAARN
COC(=O)[C@H](NC(=O)[C@H](Cc1ccc(OC(=O)CNC(=O)OC(C)(C)C)cc1)NC(=O)[C@H](NC(=O)OC(C)(C)C)C(C)C)C(C)C	ZINC000150662345	571527665	/nfs/dbraw/zinc/52/76/65/571527665.db2.gz	IEUAHCFIAIJRCW-ICDZXHCJSA-N	0	0	650.770	3.007	50	0		KGAARN
COC(=O)[C@H](NC(=O)[C@@H](Cc1ccc(OC(=O)CNC(=O)OC(C)(C)C)cc1)NC(=O)[C@H](NC(=O)OC(C)(C)C)C(C)C)C(C)C	ZINC000150662347	571527685	/nfs/dbraw/zinc/52/76/85/571527685.db2.gz	IEUAHCFIAIJRCW-QLBJFCOMSA-N	0	0	650.770	3.007	50	0		KGAARN
CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccc(COc2ccccc2)cc1)C(=O)N[C@@H](C(N)=O)[C@H](C)O	ZINC000150662563	571527852	/nfs/dbraw/zinc/52/78/52/571527852.db2.gz	SFBSDIXUWYFWOL-LUIVCDCMSA-N	0	0	731.891	3.311	50	0		KGAARN
CC(=O)OC[C@@H]1O[C@@H](Oc2ccc(C(=O)Cc3ccc(Br)cc3)c(O)c2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000150662684	571527866	/nfs/dbraw/zinc/52/78/66/571527866.db2.gz	PHGHKHVDCGNPQE-DJOAIXOZSA-N	0	0	637.432	3.042	50	0		KGAARN
CC(=O)OC[C@@H]1O[C@@H](Oc2ccc3c(c2)occ(-c2ccc4c(c2)OCCCO4)c3=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O	ZINC000150662692	571527856	/nfs/dbraw/zinc/52/78/56/571527856.db2.gz	BLRBRAOBLXHYAY-HWOSSFNRSA-N	0	0	640.594	3.083	50	0		KGAARN
CC[C@@H](C)[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)N1CCOCCN(C(=O)[C@@H](NS(=O)(=O)c2ccc(C)cc2)[C@@H](C)CC)CCOCC1	ZINC000150662737	571527986	/nfs/dbraw/zinc/52/79/86/571527986.db2.gz	ZOZNTFKDJOVMTQ-WVKQWSHJSA-N	0	0	708.944	3.094	50	0		KGAARN
CC[C@@H](C)[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)N1CCOCCOCCN(C(=O)[C@@H](NS(=O)(=O)c2ccc(C)cc2)[C@@H](C)CC)CCOCC1	ZINC000150662740	571527995	/nfs/dbraw/zinc/52/79/95/571527995.db2.gz	KZVALMGQIWHNES-JSUIZOTQSA-N	0	0	752.997	3.110	50	0		KGAARN
COc1ccc(C(OC[C@H]2O[C@@H](n3cnc4c3nc(NC(=O)C(C)C)[nH]c4=O)[C@H](O)[C@@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1	ZINC000150663305	571527988	/nfs/dbraw/zinc/52/79/88/571527988.db2.gz	SSYBHRGSXXKZQZ-QBVBFOPXSA-N	0	0	655.708	3.359	50	0		KGAARN
CC(=O)OC[C@@H]1O[C@H](COc2ccc(C(=O)Cc3csc(-c4ccccc4)n3)c(O)c2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000150679788	571528884	/nfs/dbraw/zinc/52/88/84/571528884.db2.gz	OHDNAVPGJHLVLB-GICZQSFYSA-N	0	0	655.678	3.446	50	0		KGAARN
CC(=O)O[C@@H](C(=O)Nc1ccccc1Cl)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)C(=O)Nc1ccccc1Cl	ZINC000169616022	571553573	/nfs/dbraw/zinc/55/35/73/571553573.db2.gz	BLRLNZSXWVWNBW-YCAMKHIRSA-N	0	0	597.404	3.297	50	0		KGAARN
CC(=O)O[C@H]1O[C@@H]2C[C@H](O)[C@@]3(C)C(=O)[C@H](O)C4=C(C)[C@@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c5ccccc5)C[C@@](O)([C@@H](OC(=O)c5ccccc5)[C@@H]3[C@@H]21)C4(C)C	ZINC000169617858	571554070	/nfs/dbraw/zinc/55/40/70/571554070.db2.gz	BEDLLNJKXXVTSX-HMTGLUOHSA-N	0	0	807.890	3.463	50	0		KGAARN
CC(=O)O[C@H]1O[C@@H]2C[C@H](O)[C@@]3(C)C(=O)[C@H](O)C4=C(C)[C@@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c5ccccc5)C[C@@](O)([C@@H](OC(=O)c5ccccc5)[C@@H]3[C@H]21)C4(C)C	ZINC000169617859	571553992	/nfs/dbraw/zinc/55/39/92/571553992.db2.gz	BEDLLNJKXXVTSX-DVPXZMIJSA-N	0	0	807.890	3.463	50	0		KGAARN
CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(N)=O	ZINC000169618068	571554010	/nfs/dbraw/zinc/55/40/10/571554010.db2.gz	MECLJQPGDLYLSY-VABKMULXSA-N	0	0	529.682	3.151	50	0		KGAARN
CC(C)C[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(C)C)C(N)=O	ZINC000169618069	571554062	/nfs/dbraw/zinc/55/40/62/571554062.db2.gz	MECLJQPGDLYLSY-ZRBLBEILSA-N	0	0	529.682	3.151	50	0		KGAARN
CC[C@H](C)[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(C)C)C(N)=O	ZINC000169618071	571554012	/nfs/dbraw/zinc/55/40/12/571554012.db2.gz	IKFRHSVOZGBHIG-ZMVGRULKSA-N	0	0	529.682	3.151	50	0		KGAARN
CC(=O)O[C@@H]1CO[C@H](Sc2nc3ccc(Br)cc3c(=O)n2-c2ccccc2)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000169620908	571554414	/nfs/dbraw/zinc/55/44/14/571554414.db2.gz	QSVOKUCLXSSKDP-PIATZUFCSA-N	0	0	591.436	3.392	50	0		KGAARN
Cc1cc2c(cc1S(=O)(=O)N1CCC[C@@H](C(=O)N3CCN(c4cccc(Cl)c4)CC3)C1)O[C@@H](C)C(=O)N2	ZINC000169677048	571554643	/nfs/dbraw/zinc/55/46/43/571554643.db2.gz	RZKHJQHILIBDGA-RBUKOAKNSA-N	0	0	547.077	3.117	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(S(=O)(=O)c3ccccc3)[C@@H](C)C2)N(CC)C(=O)N[C@@H]1c1ccccc1F	ZINC000169677108	571554588	/nfs/dbraw/zinc/55/45/88/571554588.db2.gz	HAIQQZDGRDGUJM-UQBPGWFLSA-N	0	0	544.649	3.124	50	0		KGAARN
CCOC(=O)C1CCN(C(=O)[C@@H]2Cc3cc(C(F)(F)F)ccc3N3CCN(c4cnccn4)C[C@@H]23)CC1	ZINC000169677271	571554844	/nfs/dbraw/zinc/55/48/44/571554844.db2.gz	IFEVHEFUZUANEO-IRLDBZIGSA-N	0	0	517.552	3.165	50	0		KGAARN
CCOC(=O)C1CCN(C(=O)[C@H]2Cc3cc(C(F)(F)F)ccc3N3CCN(c4cnccn4)C[C@@H]23)CC1	ZINC000169677272	571554669	/nfs/dbraw/zinc/55/46/69/571554669.db2.gz	IFEVHEFUZUANEO-UNMCSNQZSA-N	0	0	517.552	3.165	50	0		KGAARN
O=C(NCCCN1CCOCC1)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(c3ccccc3)C[C@@H]12	ZINC000169677699	571554985	/nfs/dbraw/zinc/55/49/85/571554985.db2.gz	SUIXXQKDDZMFEB-NOZRDPDXSA-N	0	0	502.581	3.411	50	0		KGAARN
CCOC(=O)C1CCN(C(=O)[C@@H]2Cc3cc(C(F)(F)F)ccc3N3CCN(c4ncccn4)C[C@@H]23)CC1	ZINC000169677882	571555386	/nfs/dbraw/zinc/55/53/86/571555386.db2.gz	YBRPPSLZEBEMDS-IRLDBZIGSA-N	0	0	517.552	3.165	50	0		KGAARN
CCOC(=O)C1CCN(C(=O)[C@H]2Cc3cc(C(F)(F)F)ccc3N3CCN(c4ncccn4)C[C@@H]23)CC1	ZINC000169677883	571555360	/nfs/dbraw/zinc/55/53/60/571555360.db2.gz	YBRPPSLZEBEMDS-UNMCSNQZSA-N	0	0	517.552	3.165	50	0		KGAARN
O=C(NCCN1CCOCC1)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(c3ccccc3F)C[C@@H]12	ZINC000169677888	571555546	/nfs/dbraw/zinc/55/55/46/571555546.db2.gz	UHYUZMWRBIBESJ-YKSBVNFPSA-N	0	0	506.544	3.160	50	0		KGAARN
COc1ccccc1N1CCN2c3ccc(C(F)(F)F)cc3C[C@@H](C(=O)N3CCN(C(C)=O)CC3)[C@@H]2C1	ZINC000169677913	571555654	/nfs/dbraw/zinc/55/56/54/571555654.db2.gz	UBFVDZHJRGETNP-QPPBQGQZSA-N	0	0	516.564	3.272	50	0		KGAARN
Cc1cccc(N2CCN(C(=O)CN3c4cc(S(=O)(=O)N5C[C@H](C)C[C@@H](C)C5)ccc4OCC3=O)C[C@@H]2C)c1	ZINC000169678478	571555938	/nfs/dbraw/zinc/55/59/38/571555938.db2.gz	APQGVCIANGVOOE-ZLNRFVROSA-N	0	0	554.713	3.124	50	0		KGAARN
C[C@H](CCc1ccccc1)NC(=O)CN1C(=O)COc2ccc(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)cc21	ZINC000169678479	571555774	/nfs/dbraw/zinc/55/57/74/571555774.db2.gz	JXPZISJBRIFUOZ-NJDAHSKKSA-N	0	0	513.660	3.216	50	0		KGAARN
COc1cc(C(=O)N(CC(C)C)C[C@@H]2CN(C[C@@H](O)COc3ccc(F)cc3)CCO2)cc(OC)c1OC	ZINC000169678844	571555860	/nfs/dbraw/zinc/55/58/60/571555860.db2.gz	OUYDTHNEEXCGSP-VWNXMTODSA-N	0	0	534.625	3.090	50	0		KGAARN
COc1cc(C(=O)N(CC(C)C)C[C@H]2CN(C[C@@H](O)COc3ccc(F)cc3)CCO2)cc(OC)c1OC	ZINC000169678845	571555729	/nfs/dbraw/zinc/55/57/29/571555729.db2.gz	OUYDTHNEEXCGSP-ISKFKSNPSA-N	0	0	534.625	3.090	50	0		KGAARN
COc1cc(C(=O)N(CC(C)C)C[C@@H]2CN(C[C@@H](O)COCc3ccccc3)CCO2)cc(OC)c1OC	ZINC000169678850	571555800	/nfs/dbraw/zinc/55/58/00/571555800.db2.gz	HZYNLBXOBVSCOT-RPBOFIJWSA-N	0	0	530.662	3.089	50	0		KGAARN
COc1cc(C(=O)N(CC(C)C)C[C@H]2CN(C[C@@H](O)COCc3ccccc3)CCO2)cc(OC)c1OC	ZINC000169678851	571555818	/nfs/dbraw/zinc/55/58/18/571555818.db2.gz	HZYNLBXOBVSCOT-JWQCQUIFSA-N	0	0	530.662	3.089	50	0		KGAARN
COc1cc(C(=O)N(CC(C)C)C[C@@H]2CN(C[C@@H](O)Cc3ccccc3)CCO2)cc(OC)c1OC	ZINC000169678854	571555843	/nfs/dbraw/zinc/55/58/43/571555843.db2.gz	ARUFMZNXPURJTO-ZEQRLZLVSA-N	0	0	500.636	3.115	50	0		KGAARN
COc1cc(C(=O)N(CC(C)C)C[C@H]2CN(C[C@@H](O)Cc3ccccc3)CCO2)cc(OC)c1OC	ZINC000169678855	571555834	/nfs/dbraw/zinc/55/58/34/571555834.db2.gz	ARUFMZNXPURJTO-BJKOFHAPSA-N	0	0	500.636	3.115	50	0		KGAARN
CCN1C2=C(C(=O)N([C@@H](C(=O)NC[C@H]3CCCO3)C(C)C)C2)[C@@H](c2ccccc2C(F)(F)F)NC1=O	ZINC000169679008	571556065	/nfs/dbraw/zinc/55/60/65/571556065.db2.gz	LDOVBLFTMNBXCK-IPHXSNPTSA-N	0	0	508.541	3.208	50	0		KGAARN
CCN1C2=C(C(=O)N([C@H](C(=O)NC[C@H]3CCCO3)C(C)C)C2)[C@@H](c2ccccc2C(F)(F)F)NC1=O	ZINC000169679010	571556076	/nfs/dbraw/zinc/55/60/76/571556076.db2.gz	LDOVBLFTMNBXCK-LPTQZCDUSA-N	0	0	508.541	3.208	50	0		KGAARN
O=C(NCCCN1CCOCC1)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@H+](Cc3ccccc3)C[C@@H]12	ZINC000169679034	571556066	/nfs/dbraw/zinc/55/60/66/571556066.db2.gz	AZJPFXDTYIRVQO-RSXGOPAZSA-N	0	0	516.608	3.407	50	0		KGAARN
CCOC(=O)[C@@H]1CCCN(C(=O)[C@@H](C)N2CC3=C(C2=O)[C@@H](c2ccc(Cl)cc2Cl)NC(=O)N3CC)C1	ZINC000169679057	571556097	/nfs/dbraw/zinc/55/60/97/571556097.db2.gz	JYQHWRMZDAKERE-VTJXTGGHSA-N	0	0	537.444	3.366	50	0		KGAARN
CCOC(=O)[C@@H]1CCCN(C(=O)[C@H](C)N2CC3=C(C2=O)[C@@H](c2ccc(Cl)cc2Cl)NC(=O)N3CC)C1	ZINC000169679058	571556046	/nfs/dbraw/zinc/55/60/46/571556046.db2.gz	JYQHWRMZDAKERE-PDSXEYIOSA-N	0	0	537.444	3.366	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(S(=O)(=O)c3ccc(C)cc3)[C@@H](C)C2)N(CC)C(=O)N[C@@H]1c1cccc(F)c1	ZINC000169679646	571556405	/nfs/dbraw/zinc/55/64/05/571556405.db2.gz	VWHBBBOTPCVYSJ-RXFWQSSRSA-N	0	0	558.676	3.433	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(S(=O)(=O)c3ccccc3)[C@@H](C)C2)N(CC)C(=O)N[C@@H]1c1cccc(F)c1	ZINC000169679648	571556249	/nfs/dbraw/zinc/55/62/49/571556249.db2.gz	ONGQYSHUUNUVRM-UQBPGWFLSA-N	0	0	544.649	3.124	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(S(=O)(=O)c3ccc(C)cc3)[C@@H](C)C2)N(CC)C(=O)N[C@@H]1c1ccccc1F	ZINC000169679649	571556239	/nfs/dbraw/zinc/55/62/39/571556239.db2.gz	NITSGBQBYXMNQV-RXFWQSSRSA-N	0	0	558.676	3.433	50	0		KGAARN
CCNC(=O)N1CCN(CC2=C(C(=O)OCC)[C@@H](c3cccc(Cl)c3Cl)NC(=O)N2C)C[C@@H]1C	ZINC000169679651	571556250	/nfs/dbraw/zinc/55/62/50/571556250.db2.gz	QCSUOSRGOFNKQP-VBKZILBWSA-N	0	0	512.438	3.242	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(S(=O)(=O)c3ccccc3)[C@@H](C)C2)N(CC)C(=O)N[C@@H]1c1ccc(F)cc1	ZINC000169679747	571556446	/nfs/dbraw/zinc/55/64/46/571556446.db2.gz	DGLSPJCAHUBRFZ-UQBPGWFLSA-N	0	0	544.649	3.124	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(S(=O)(=O)c3ccccc3)[C@@H](C)C2)N(C)C(=O)N[C@@H]1c1ccccc1Cl	ZINC000169679749	571556570	/nfs/dbraw/zinc/55/65/70/571556570.db2.gz	QYKCYDPXWCGCOC-MHECFPHRSA-N	0	0	547.077	3.248	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(S(=O)(=O)c3ccc(Cl)cc3)[C@@H](C)C2)N(C)C(=O)N[C@@H]1c1ccccc1	ZINC000169679750	571556471	/nfs/dbraw/zinc/55/64/71/571556471.db2.gz	XJJNIBYESNCMID-MHECFPHRSA-N	0	0	547.077	3.248	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(S(=O)(=O)c3ccc(C)cc3)[C@@H](C)C2)N(C)C(=O)N[C@@H]1c1cccc(F)c1	ZINC000169679764	571556493	/nfs/dbraw/zinc/55/64/93/571556493.db2.gz	PAAZYVNIUOVOCX-UQBPGWFLSA-N	0	0	544.649	3.042	50	0		KGAARN
CCNC(=O)N1CCN(CC2=C(C(=O)OCC)[C@@H](c3ccc(C(F)(F)F)cc3)NC(=O)N2CC)C[C@@H]1C	ZINC000169679766	571556504	/nfs/dbraw/zinc/55/65/04/571556504.db2.gz	MSZHOZTVGAUPJJ-HRAATJIYSA-N	0	0	525.572	3.344	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(S(=O)(=O)c3ccc(Cl)cc3)[C@@H](C)C2)N(C)C(=O)N[C@@H]1c1cccc(F)c1	ZINC000169679768	571556419	/nfs/dbraw/zinc/55/64/19/571556419.db2.gz	SREQKBMTIHZLKN-BXKMTCNYSA-N	0	0	565.067	3.387	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(S(=O)(=O)c3ccc(C)cc3)[C@@H](C)C2)N(CC)C(=O)N[C@@H]1c1ccccc1	ZINC000169679771	571556510	/nfs/dbraw/zinc/55/65/10/571556510.db2.gz	XCWUBIZXAUDOPA-HFZDXXHNSA-N	0	0	540.686	3.293	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(S(=O)(=O)c3ccccc3)[C@@H](C)C2)N(C)C(=O)N[C@@H]1c1ccc(Cl)cc1	ZINC000169679785	571556500	/nfs/dbraw/zinc/55/65/00/571556500.db2.gz	JJYQVDJQGOMQPU-MHECFPHRSA-N	0	0	547.077	3.248	50	0		KGAARN
CCNC(=O)N1CCN(CC2=C(C(=O)OCC)[C@@H](c3ccccc3C(F)(F)F)NC(=O)N2CC)C[C@@H]1C	ZINC000169679952	571556710	/nfs/dbraw/zinc/55/67/10/571556710.db2.gz	PHDAACOKUMCTIV-HRAATJIYSA-N	0	0	525.572	3.344	50	0		KGAARN
CCNC(=O)N1CCN(CC2=C(C(=O)OCC)[C@@H](c3ccc(Cl)cc3Cl)NC(=O)N2C)C[C@@H]1C	ZINC000169679955	571556722	/nfs/dbraw/zinc/55/67/22/571556722.db2.gz	CMGAYYKNRNQSPC-VBKZILBWSA-N	0	0	512.438	3.242	50	0		KGAARN
CCCNC(=O)N1CCN(CC2=C(C(=O)OCC)[C@@H](c3ccc(Cl)cc3)NC(=O)N2CC)C[C@@H]1C	ZINC000169679956	571556639	/nfs/dbraw/zinc/55/66/39/571556639.db2.gz	ZMVOCVRXTCAGML-HTAPYJJXSA-N	0	0	506.047	3.369	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(S(=O)(=O)c3ccc(C)cc3)[C@@H](C)C2)N(C)C(=O)N[C@@H]1c1ccc(F)cc1	ZINC000169680931	571557558	/nfs/dbraw/zinc/55/75/58/571557558.db2.gz	ADYWHAHMEIHLHV-UQBPGWFLSA-N	0	0	544.649	3.042	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(S(=O)(=O)c3ccccc3)[C@@H](C)C2)N(CC)C(=O)N[C@@H]1c1cccc(C)c1	ZINC000169680945	571557538	/nfs/dbraw/zinc/55/75/38/571557538.db2.gz	GHJKWPGVGZWJJL-HFZDXXHNSA-N	0	0	540.686	3.293	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(S(=O)(=O)c3ccc(Cl)cc3)[C@@H](C)C2)N(C)C(=O)N[C@@H]1c1ccc(F)cc1	ZINC000169681894	571557743	/nfs/dbraw/zinc/55/77/43/571557743.db2.gz	FAMPJSVJPDXWOB-BXKMTCNYSA-N	0	0	565.067	3.387	50	0		KGAARN
COc1ccccc1N1CCN2c3ccc(C(F)(F)F)cc3C[C@@H](C(=O)NCCN3CCOCC3)[C@@H]2C1	ZINC000169681934	571557786	/nfs/dbraw/zinc/55/77/86/571557786.db2.gz	ACSYESFMPQEQDH-QPPBQGQZSA-N	0	0	518.580	3.030	50	0		KGAARN
CC(=O)N1CCN(C(=O)[C@@H]2Cc3cc(C(F)(F)F)ccc3N3CCN(c4ccccc4F)C[C@@H]23)CC1	ZINC000169681980	571557762	/nfs/dbraw/zinc/55/77/62/571557762.db2.gz	IAFOEHMIRSMPDZ-YKSBVNFPSA-N	0	0	504.528	3.403	50	0		KGAARN
CC(=O)N1CCN(C(=O)[C@H]2Cc3cc(C(F)(F)F)ccc3N3CCN(c4ccccc4F)C[C@@H]23)CC1	ZINC000169681981	571557791	/nfs/dbraw/zinc/55/77/91/571557791.db2.gz	IAFOEHMIRSMPDZ-RDPSFJRHSA-N	0	0	504.528	3.403	50	0		KGAARN
Cc1cc2c(cc1S(=O)(=O)N1CCC[C@@H](C(=O)N3CC=C(c4ccccc4)CC3)C1)O[C@@H](C)C(=O)N2	ZINC000169683598	571558178	/nfs/dbraw/zinc/55/81/78/571558178.db2.gz	PRZFKENQGKOWJB-SIKLNZKXSA-N	0	0	509.628	3.431	50	0		KGAARN
Cc1cc2c(cc1S(=O)(=O)N1CCC[C@H](C(=O)N3CC=C(c4ccccc4)CC3)C1)O[C@@H](C)C(=O)N2	ZINC000169683599	571558205	/nfs/dbraw/zinc/55/82/05/571558205.db2.gz	PRZFKENQGKOWJB-UGKGYDQZSA-N	0	0	509.628	3.431	50	0		KGAARN
CCN(C(=O)[C@@H]1CCCN(S(=O)(=O)c2cc3c(cc2C)NC(=O)[C@@H](C)O3)C1)c1ccc(OC)cc1	ZINC000169683633	571558141	/nfs/dbraw/zinc/55/81/41/571558141.db2.gz	QPOMKCGAPKNYCI-QZTJIDSGSA-N	0	0	501.605	3.177	50	0		KGAARN
CCN(C(=O)[C@H]1CCCN(S(=O)(=O)c2cc3c(cc2C)NC(=O)[C@@H](C)O3)C1)c1ccc(OC)cc1	ZINC000169683634	571558157	/nfs/dbraw/zinc/55/81/57/571558157.db2.gz	QPOMKCGAPKNYCI-MSOLQXFVSA-N	0	0	501.605	3.177	50	0		KGAARN
CC1=CC(C)(C)N(C(=O)CN2C(=O)[C@@H]3CCCC[C@H]3C2=O)c2ccc(OC(=O)CN3C(=O)[C@@H]4CCCC[C@@H]4C3=O)cc21	ZINC000169687557	571558457	/nfs/dbraw/zinc/55/84/57/571558457.db2.gz	NRVFSIPBLSKDGU-ODAXIHTASA-N	0	0	575.662	3.471	50	0		KGAARN
CC(=O)N1c2cc(S(=O)(=O)NN3CCN(c4ccc(Cl)cc4)CC3)c(Br)cc2C[C@@H]1C	ZINC000169699763	571558902	/nfs/dbraw/zinc/55/89/02/571558902.db2.gz	CXDUOCBKISMBDH-AWEZNQCLSA-N	0	0	527.872	3.416	50	0		KGAARN
CC(=O)N1c2cc(S(=O)(=O)NN3CCN(c4ccc(Cl)cc4)CC3)c(Br)cc2C[C@H]1C	ZINC000169699765	571558892	/nfs/dbraw/zinc/55/88/92/571558892.db2.gz	CXDUOCBKISMBDH-CQSZACIVSA-N	0	0	527.872	3.416	50	0		KGAARN
Cc1cc(=O)n(CC(=O)Nc2ccc(Br)cc2F)c(N2CCN(c3ccccc3)CC2)n1	ZINC000169752601	1059547599	/nfs/dbraw/zinc/54/75/99/1059547599.db2.gz	MBWSGSOCAZZYAB-UHFFFAOYSA-N	0	0	500.372	3.419	50	0		KGAARN
COc1ccc([C@@H]2[NH2+][C@](Cc3ccccc3)(C(=O)[O-])[C@@H]3C(=O)N(c4ccccc4OC)C(=O)[C@@H]23)cc1OC	ZINC000169773083	571560152	/nfs/dbraw/zinc/56/01/52/571560152.db2.gz	YLZHNWZPEKICOR-SGDZTBBFSA-N	0	0	516.550	3.229	50	0		KGAARN
CC(=O)N1CCc2cc(S(=O)(=O)NCCCC(=O)N3CC[C@@H](CCOc4ccccc4F)C3)ccc21	ZINC000169780073	1059548002	/nfs/dbraw/zinc/54/80/02/1059548002.db2.gz	VNOQIMREGIYVPA-FQEVSTJZSA-N	0	0	517.623	3.111	50	0		KGAARN
CC(=O)N1CCc2cc(S(=O)(=O)NCCCC(=O)N3CC[C@H](CCOc4ccccc4F)C3)ccc21	ZINC000169780074	1059547984	/nfs/dbraw/zinc/54/79/84/1059547984.db2.gz	VNOQIMREGIYVPA-HXUWFJFHSA-N	0	0	517.623	3.111	50	0		KGAARN
O=C(C1CCN(S(=O)(=O)c2cccc3nonc32)CC1)N1CC[C@@H](CCOc2ccc(F)cc2)C1	ZINC000169780083	1059548039	/nfs/dbraw/zinc/54/80/39/1059548039.db2.gz	GTMHADQJYPYYNX-KRWDZBQOSA-N	0	0	502.568	3.080	50	0		KGAARN
O=C(C1CCN(S(=O)(=O)c2cccc3nonc32)CC1)N1CC[C@H](CCOc2ccc(F)cc2)C1	ZINC000169780084	1059547928	/nfs/dbraw/zinc/54/79/28/1059547928.db2.gz	GTMHADQJYPYYNX-QGZVFWFLSA-N	0	0	502.568	3.080	50	0		KGAARN
O=C(C1CCN(S(=O)(=O)c2cccc3nsnc32)CC1)N1CCC(Cc2nncn2Cc2ccccc2)CC1	ZINC000169780106	1059547896	/nfs/dbraw/zinc/54/78/96/1059547896.db2.gz	ZYIXHIWKPSWVSA-UHFFFAOYSA-N	0	0	565.725	3.213	50	0		KGAARN
COc1ccccc1OCC[C@@H]1CCN(C(=O)CCS(=O)(=O)c2ccc3c(c2)CCN3C(C)=O)C1	ZINC000169780119	1059543129	/nfs/dbraw/zinc/54/31/29/1059543129.db2.gz	YEOTZUQIUNAPJI-FQEVSTJZSA-N	0	0	500.617	3.086	50	0		KGAARN
COc1ccccc1OCC[C@H]1CCN(C(=O)CCS(=O)(=O)c2ccc3c(c2)CCN3C(C)=O)C1	ZINC000169780120	1059547949	/nfs/dbraw/zinc/54/79/49/1059547949.db2.gz	YEOTZUQIUNAPJI-HXUWFJFHSA-N	0	0	500.617	3.086	50	0		KGAARN
Cc1ccc(OCC[C@@H]2CCN(C(=O)C3CCN(S(=O)(=O)c4ccc5c(c4)oc(=O)n5C)CC3)C2)cc1	ZINC000169780121	1059547968	/nfs/dbraw/zinc/54/79/68/1059547968.db2.gz	HNEBFZRGHRQZTJ-FQEVSTJZSA-N	0	0	527.643	3.158	50	0		KGAARN
Cc1ccc(OCC[C@H]2CCN(C(=O)C3CCN(S(=O)(=O)c4ccc5c(c4)oc(=O)n5C)CC3)C2)cc1	ZINC000169780122	1059548071	/nfs/dbraw/zinc/54/80/71/1059548071.db2.gz	HNEBFZRGHRQZTJ-HXUWFJFHSA-N	0	0	527.643	3.158	50	0		KGAARN
CC(=O)N1CCc2cc(S(=O)(=O)NCCCC(=O)N3CC[C@@H](CCOc4ccc(C)cc4)C3)ccc21	ZINC000169780123	1059548057	/nfs/dbraw/zinc/54/80/57/1059548057.db2.gz	GEPUVIKSLYZDCJ-QFIPXVFZSA-N	0	0	513.660	3.280	50	0		KGAARN
CC(=O)N1CCc2cc(S(=O)(=O)NCCCC(=O)N3CC[C@H](CCOc4ccc(C)cc4)C3)ccc21	ZINC000169780124	1059548021	/nfs/dbraw/zinc/54/80/21/1059548021.db2.gz	GEPUVIKSLYZDCJ-JOCHJYFZSA-N	0	0	513.660	3.280	50	0		KGAARN
O=C(C1CCN(S(=O)(=O)c2cccc3nsnc32)CC1)N1CC[C@@H](CCOc2ccccc2)C1	ZINC000169780403	1059548585	/nfs/dbraw/zinc/54/85/85/1059548585.db2.gz	RISYBXMTPXLROF-SFHVURJKSA-N	0	0	500.646	3.410	50	0		KGAARN
O=C(C1CCN(S(=O)(=O)c2cccc3nsnc32)CC1)N1CC[C@H](CCOc2ccccc2)C1	ZINC000169780404	1059548482	/nfs/dbraw/zinc/54/84/82/1059548482.db2.gz	RISYBXMTPXLROF-GOSISDBHSA-N	0	0	500.646	3.410	50	0		KGAARN
O=C(C1CCN(S(=O)(=O)c2cccc3nonc32)CC1)N1CC[C@@H](CCOc2ccccc2F)C1	ZINC000169780406	1059548460	/nfs/dbraw/zinc/54/84/60/1059548460.db2.gz	ODGUBGFSURFJFL-KRWDZBQOSA-N	0	0	502.568	3.080	50	0		KGAARN
O=C(C1CCN(S(=O)(=O)c2cccc3nonc32)CC1)N1CC[C@H](CCOc2ccccc2F)C1	ZINC000169780408	1059548638	/nfs/dbraw/zinc/54/86/38/1059548638.db2.gz	ODGUBGFSURFJFL-QGZVFWFLSA-N	0	0	502.568	3.080	50	0		KGAARN
O=C(C1CCN(S(=O)(=O)c2cccc3nsnc32)CC1)N1CCC(Cc2nncn2-c2ccccc2)CC1	ZINC000169780698	1059548563	/nfs/dbraw/zinc/54/85/63/1059548563.db2.gz	JUKFFARLXFYCSO-UHFFFAOYSA-N	0	0	551.698	3.154	50	0		KGAARN
COCCn1ncc(N2CC[C@@H](C(=O)NCCc3c[nH]c4ccc(OCc5ccccc5)cc34)C2)cc1=O	ZINC000169785518	1059548398	/nfs/dbraw/zinc/54/83/98/1059548398.db2.gz	OOUNYPNYWQNJIC-HSZRJFAPSA-N	0	0	515.614	3.135	50	0		KGAARN
COCCn1ncc(N2CC[C@H](C(=O)NCCc3c[nH]c4ccc(OCc5ccccc5)cc34)C2)cc1=O	ZINC000169785519	1059548624	/nfs/dbraw/zinc/54/86/24/1059548624.db2.gz	OOUNYPNYWQNJIC-QHCPKHFHSA-N	0	0	515.614	3.135	50	0		KGAARN
CCN1C2=C(C(=O)N([C@@H](Cc3ccccc3)C(=O)NC[C@H]3CCCO3)C2)[C@@H](c2cccc(C)c2)NC1=O	ZINC000169793454	571560591	/nfs/dbraw/zinc/56/05/91/571560591.db2.gz	AGJAHZGDLZAKDM-MVERNJQCSA-N	0	0	502.615	3.084	50	0		KGAARN
CCN1C2=C(C(=O)N([C@H](Cc3ccccc3)C(=O)NC[C@H]3CCCO3)C2)[C@@H](c2cccc(C)c2)NC1=O	ZINC000169793455	571560562	/nfs/dbraw/zinc/56/05/62/571560562.db2.gz	AGJAHZGDLZAKDM-JQYIIUTOSA-N	0	0	502.615	3.084	50	0		KGAARN
CC[C@@H](C(=O)N1CCC2(CC1)C(=O)N(CC(=O)NC[C@H]1CCCO1)CN2c1ccccc1)c1ccccc1	ZINC000169793665	571560569	/nfs/dbraw/zinc/56/05/69/571560569.db2.gz	ZHGYDRZYMMQUIT-CLJLJLNGSA-N	0	0	518.658	3.143	50	0		KGAARN
CC[C@H](C(=O)N1CCC2(CC1)C(=O)N(CC(=O)NC[C@H]1CCCO1)CN2c1ccccc1)c1ccccc1	ZINC000169793666	571560532	/nfs/dbraw/zinc/56/05/32/571560532.db2.gz	ZHGYDRZYMMQUIT-FTJBHMTQSA-N	0	0	518.658	3.143	50	0		KGAARN
CC(C)C[C@H](NC(=O)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2)C(=O)N1CCN(C/C=C/c2ccccc2)CC1	ZINC000170625073	571563124	/nfs/dbraw/zinc/56/31/24/571563124.db2.gz	HSEYNHGPLVOUDN-XJTFUSJRSA-N	0	0	531.701	3.249	50	0		KGAARN
CCCC[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)Nc2ccc(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)C1=O	ZINC000195528922	571563372	/nfs/dbraw/zinc/56/33/72/571563372.db2.gz	QZVBUPIEIKHHGM-RWYJCYHVSA-N	0	0	560.648	3.200	50	0		KGAARN
O=C(NCCN1C(=O)S/C(=C/c2ccc(Cl)cc2)C1=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1F	ZINC000195533481	571563641	/nfs/dbraw/zinc/56/36/41/571563641.db2.gz	OVVAZJKMGGDWGM-OGBKAESYSA-N	0	0	538.022	3.485	50	0		KGAARN
C[Si](C)(C)CCOC(=O)C1=CC=CN(C(=O)c2ccccc2)N2C(=O)[C@@H](N3C(=O)c4ccccc4C3=O)[C@H]12	ZINC000195787692	1059554149	/nfs/dbraw/zinc/55/41/49/1059554149.db2.gz	AKWXYHAKLFJCDO-GOTSBHOMSA-N	0	0	529.625	3.255	50	0		KGAARN
C[Si](C)(C)CCOC(=O)C1=CC=CN(C(=O)c2ccccc2)N2C(=O)[C@@H](N3C(=O)c4ccccc4C3=O)[C@@H]12	ZINC000195787694	1059554170	/nfs/dbraw/zinc/55/41/70/1059554170.db2.gz	AKWXYHAKLFJCDO-PKTZIBPZSA-N	0	0	529.625	3.255	50	0		KGAARN
C[Si](C)(C)CCOC(=O)C1=CC=CN(C(=O)c2ccccc2)N2C(=O)[C@H](N3C(=O)c4ccccc4C3=O)[C@H]12	ZINC000195787697	1059554269	/nfs/dbraw/zinc/55/42/69/1059554269.db2.gz	AKWXYHAKLFJCDO-XZOQPEGZSA-N	0	0	529.625	3.255	50	0		KGAARN
C[Si](C)(C)CCOC(=O)C1=CC=CN(C(=O)c2ccccc2)N2C(=O)[C@H](N3C(=O)c4ccccc4C3=O)[C@@H]12	ZINC000195787699	1059018158	/nfs/dbraw/zinc/01/81/58/1059018158.db2.gz	AKWXYHAKLFJCDO-DHIUTWEWSA-N	0	0	529.625	3.255	50	0		KGAARN
CCOC(=O)c1nnsc1Sc1c(C(=O)OCC)nnn1CCCCn1nnc(C(=O)OCC)c1Sc1snnc1C(=O)OCC	ZINC000196178107	571564112	/nfs/dbraw/zinc/56/41/12/571564112.db2.gz	JRJIIFOVNCCBKP-UHFFFAOYSA-N	0	0	712.818	3.062	50	0		KGAARN
CC[C@@](C)(O)C(=O)N[C@@H]1CCCN1C(=O)[C@@H]1[C@@H](c2ccccc2)[C@]2(c3ccc(OC)cc3)Oc3cc(OC)cc(OC)c3[C@@]1(O)[C@@H]2O	ZINC000197877716	571565922	/nfs/dbraw/zinc/56/59/22/571565922.db2.gz	AISWAKZPXBFYDF-JUHBSAHWSA-N	0	0	646.737	3.188	50	0		KGAARN
N[C@]12Nc3ccccc3[C@@]1(C(=O)NCc1ccccc1)[C@@H](C(=O)NCc1ccccc1)N(Cc1ccccc1)C2=O	ZINC000198682649	571567976	/nfs/dbraw/zinc/56/79/76/571567976.db2.gz	ZIKNAJLOXSDMQG-ZSUPJWAMSA-N	0	0	545.643	3.049	50	0		KGAARN
N[C@]12Nc3ccccc3[C@@]1(C(=O)NCc1ccccc1)[C@H](C(=O)NCc1ccccc1)N(Cc1ccccc1)C2=O	ZINC000198682668	571568102	/nfs/dbraw/zinc/56/81/02/571568102.db2.gz	ZIKNAJLOXSDMQG-KXLBIAJQSA-N	0	0	545.643	3.049	50	0		KGAARN
N[C@]12Nc3ccccc3[C@]1(C(=O)NCc1ccccc1)[C@@H](C(=O)NCc1ccccc1)N(Cc1ccccc1)C2=O	ZINC000198682688	571567991	/nfs/dbraw/zinc/56/79/91/571567991.db2.gz	ZIKNAJLOXSDMQG-WDZQTAOZSA-N	0	0	545.643	3.049	50	0		KGAARN
N[C@]12Nc3ccccc3[C@]1(C(=O)NCc1ccccc1)[C@H](C(=O)NCc1ccccc1)N(Cc1ccccc1)C2=O	ZINC000198682703	571568037	/nfs/dbraw/zinc/56/80/37/571568037.db2.gz	ZIKNAJLOXSDMQG-XEUSQTKLSA-N	0	0	545.643	3.049	50	0		KGAARN
C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)OCc1ccccc1	ZINC000198690499	571568346	/nfs/dbraw/zinc/56/83/46/571568346.db2.gz	URKQTXZKVZPTDJ-OKUYAMHMSA-N	0	0	674.751	3.063	50	0		KGAARN
O=C(C=c1[nH]c2nnc(CCCCc3nnc4[nH]c(=CC(=O)c5ccccc5)c(=O)n34)n2c1=O)c1ccccc1	ZINC000198714065	571568697	/nfs/dbraw/zinc/56/86/97/571568697.db2.gz	RFWQDFKLDZMCLX-UHFFFAOYSA-N	0	0	534.536	3.434	50	0		KGAARN
COc1ccc2c(ccc3c2CCc2cnn([C@@H]4O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]4OC(C)=O)c2-3)c1	ZINC000198754210	571569015	/nfs/dbraw/zinc/56/90/15/571569015.db2.gz	CVUPRFUGYLZAII-LXRLAABLSA-N	0	0	580.590	3.066	50	0		KGAARN
COc1ccc(Cl)cc1NC(=O)Cn1c2cc3c(cc2c(=O)n(Cc2nc(-c4ccccc4)no2)c1=O)OCO3	ZINC000200199624	571569160	/nfs/dbraw/zinc/56/91/60/571569160.db2.gz	SKEGBARRMUHHRZ-UHFFFAOYSA-N	0	0	561.938	3.291	50	0		KGAARN
COc1ccc(-c2noc(Cn3c(=O)c4ccccc4n(CC(=O)c4cc(OC)ccc4OC)c3=O)n2)cc1	ZINC000200199783	571569172	/nfs/dbraw/zinc/56/91/72/571569172.db2.gz	FWYCGSIGYMFRLB-UHFFFAOYSA-N	0	0	528.521	3.170	50	0		KGAARN
COc1ccc(S(=O)(=O)N[C@H](Cc2ccc(Cl)cc2)C(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)cc1	ZINC000207691145	571573476	/nfs/dbraw/zinc/57/34/76/571573476.db2.gz	BRLXVACIWXCCKZ-CYSDGLOUSA-N	0	0	507.052	3.392	50	0		KGAARN
COc1ccc(C(=O)OCC(=O)c2ccc3c(c2)OCO3)cc1NC(=O)CSc1nnc(C)s1	ZINC000215687826	571584709	/nfs/dbraw/zinc/58/47/09/571584709.db2.gz	ZMLGPVWQAPTDJW-UHFFFAOYSA-N	0	0	501.542	3.354	50	0		KGAARN
CC1(C)C[C@@H](N2C(=O)c3cccc(N4CCC[C@@H](C(=O)N5CCN(C(=O)c6ccco6)CC5)C4)c3C2=O)CCO1	ZINC000216199521	571593433	/nfs/dbraw/zinc/59/34/33/571593433.db2.gz	QKZCJYYBGZNECO-RTWAWAEBSA-N	0	0	548.640	3.034	50	0		KGAARN
O=C(N[C@H]1CCS(=O)(=O)C1)[C@@H]1CCCN(c2cccc3c2C(=O)N(Cc2cccc(C(F)(F)F)c2)C3=O)C1	ZINC000216245298	571593834	/nfs/dbraw/zinc/59/38/34/571593834.db2.gz	DLIZNSNORJVSTA-MJGOQNOKSA-N	0	0	549.571	3.021	50	0		KGAARN
O=C(N[C@H]1CCS(=O)(=O)C1)[C@H]1CCCN(c2cccc3c2C(=O)N(Cc2cccc(C(F)(F)F)c2)C3=O)C1	ZINC000216245342	571593858	/nfs/dbraw/zinc/59/38/58/571593858.db2.gz	DLIZNSNORJVSTA-HKUYNNGSSA-N	0	0	549.571	3.021	50	0		KGAARN
O=C([O-])CC[C@@H]1[NH2+][C@@]2(c3ccccc3N(Cc3ccccc3F)C2=O)[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]21	ZINC000217533341	1059579537	/nfs/dbraw/zinc/57/95/37/1059579537.db2.gz	HKAUWMMVQGDEAJ-NHNGLUSSSA-N	0	0	527.552	3.206	50	0		KGAARN
COc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](CC(=O)[O-])[NH2+][C@@]32c3ccccc3N(Cc3ccccc3Cl)C2=O)cc1	ZINC000217546476	1059579583	/nfs/dbraw/zinc/57/95/83/1059579583.db2.gz	UWGGBQRXBXVNRS-PXMCIRSJSA-N	0	0	545.979	3.343	50	0		KGAARN
COC(=O)C[C@H](c1cc2ccc(OC)cc2[nH]c1=O)c1c(O)cc(C)n(CCc2ccc(O)cc2)c1=O	ZINC000217995726	1059580653	/nfs/dbraw/zinc/58/06/53/1059580653.db2.gz	KKCGMXKGHHBDLT-OAQYLSRUSA-N	0	0	504.539	3.356	50	0		KGAARN
COC(=O)C[C@@H](c1cc2ccc(OC)cc2[nH]c1=O)c1c(O)cc(C)n(CCc2ccc(O)cc2)c1=O	ZINC000217995817	1059580621	/nfs/dbraw/zinc/58/06/21/1059580621.db2.gz	KKCGMXKGHHBDLT-NRFANRHFSA-N	0	0	504.539	3.356	50	0		KGAARN
CSc1nc(N)c(C(c2ccc(OCc3ccccc3)cc2)c2c(N)nc(SC)[nH]c2=O)c(=O)[nH]1	ZINC000221273908	571604186	/nfs/dbraw/zinc/60/41/86/571604186.db2.gz	NJINGYOIRGXZES-UHFFFAOYSA-N	0	0	508.629	3.221	50	0		KGAARN
COC(=O)c1ccccc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](c1ccc(OC)cc1)N[C@@]2(Cc1ccccc1)C(=O)OC	ZINC000221574801	571604350	/nfs/dbraw/zinc/60/43/50/571604350.db2.gz	YJTIKQVBSVAFNQ-ZQIPMTRKSA-N	0	0	528.561	3.086	50	0		KGAARN
COC(=O)c1ccccc1N1C(=O)[C@@H]2[C@@H](C1=O)[C@](Cc1ccccc1)(C(=O)OC)N[C@@H]2c1ccc(OC)cc1	ZINC000221574863	571604376	/nfs/dbraw/zinc/60/43/76/571604376.db2.gz	YJTIKQVBSVAFNQ-FJRSXGRASA-N	0	0	528.561	3.086	50	0		KGAARN
COC(=O)c1ccccc1N1C(=O)[C@@H]2[C@H](C1=O)[C@H](c1ccc(OC)cc1)N[C@@]2(Cc1ccccc1)C(=O)OC	ZINC000221574925	571604318	/nfs/dbraw/zinc/60/43/18/571604318.db2.gz	YJTIKQVBSVAFNQ-DNHJLFCISA-N	0	0	528.561	3.086	50	0		KGAARN
COC(=O)c1ccccc1N1C(=O)[C@H]2[C@H](c3ccc(OC)cc3)N[C@@](Cc3ccccc3)(C(=O)OC)[C@@H]2C1=O	ZINC000221574982	571604333	/nfs/dbraw/zinc/60/43/33/571604333.db2.gz	YJTIKQVBSVAFNQ-UBRKHCEVSA-N	0	0	528.561	3.086	50	0		KGAARN
CN1O[C@@H]2C(=O)N(CCNc3ncc(C(F)(F)F)cc3Cl)C(=O)[C@@H]2[C@@H]1c1coc2ccccc2c1=O	ZINC000221594281	571604315	/nfs/dbraw/zinc/60/43/15/571604315.db2.gz	BEXYXJIGSNKGHN-AOIWGVFYSA-N	0	0	522.867	3.244	50	0		KGAARN
O=C(NCCSCc1ccccc1Cl)[C@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1	ZINC000222394234	571605617	/nfs/dbraw/zinc/60/56/17/571605617.db2.gz	CULRZSJJEJFAOB-RUZDIDTESA-N	0	0	594.180	3.453	50	0		KGAARN
Cc1ccc(N(CC(N)=O)[C@H]2SC(=O)N(Cc3ccc(CN4C(=O)S[C@H](N(CC(N)=O)c5ccc(C)cc5)C4=O)cc3)C2=O)cc1	ZINC000225163602	571653623	/nfs/dbraw/zinc/65/36/23/571653623.db2.gz	BSWHBITXWUWHIN-KYJUHHDHSA-N	0	0	660.778	3.330	50	0		KGAARN
Cc1cccc(N(CC(N)=O)[C@H]2SC(=O)N(Cc3ccc(CN4C(=O)S[C@H](N(CC(N)=O)c5cccc(C)c5)C4=O)cc3)C2=O)c1	ZINC000225163650	571653629	/nfs/dbraw/zinc/65/36/29/571653629.db2.gz	UCXTYQHXORLSFW-KYJUHHDHSA-N	0	0	660.778	3.330	50	0		KGAARN
COc1ccc(CN2C(=O)[C@H]3[C@H](C(=O)Nc4cccc(OC)c4)[C@H]4C=C[C@@]3(O4)[C@@H]2C(=O)NC2CCCCC2)cc1	ZINC000225383679	571752525	/nfs/dbraw/zinc/75/25/25/571752525.db2.gz	RWPVWQMZQQNKOO-YTXSASNOSA-N	0	0	545.636	3.442	50	0		KGAARN
COc1ccc(CN2C(=O)[C@H]3[C@H](C(=O)Nc4cccc(OC)c4)[C@H]4C=C[C@@]3(O4)[C@H]2C(=O)NC2CCCCC2)cc1	ZINC000225383705	571752603	/nfs/dbraw/zinc/75/26/03/571752603.db2.gz	RWPVWQMZQQNKOO-UHASXDTDSA-N	0	0	545.636	3.442	50	0		KGAARN
COc1ccc(CN2C(=O)[C@H]3[C@H](C(=O)Nc4ccc(OC)cc4)[C@H]4C=C[C@@]3(O4)[C@@H]2C(=O)NC2CCCCC2)cc1	ZINC000225386622	571756051	/nfs/dbraw/zinc/75/60/51/571756051.db2.gz	UVIZGZCLJQQECW-YTXSASNOSA-N	0	0	545.636	3.442	50	0		KGAARN
COc1ccc(CN2C(=O)[C@H]3[C@H](C(=O)Nc4ccc(OC)cc4)[C@H]4C=C[C@@]3(O4)[C@H]2C(=O)NC2CCCCC2)cc1	ZINC000225386657	571755963	/nfs/dbraw/zinc/75/59/63/571755963.db2.gz	UVIZGZCLJQQECW-UHASXDTDSA-N	0	0	545.636	3.442	50	0		KGAARN
CCOCCCN1C(=O)[C@H]2[C@H](C(=O)Nc3cccc(Cl)c3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)NC1CCCCC1	ZINC000225390177	571758956	/nfs/dbraw/zinc/75/89/56/571758956.db2.gz	NXBHZSCKPFUDDX-VJOZHJGUSA-N	0	0	516.038	3.305	50	0		KGAARN
CCOCCCN1C(=O)[C@H]2[C@H](C(=O)Nc3cccc(Cl)c3)[C@H]3C=C[C@@]2(O3)[C@H]1C(=O)NC1CCCCC1	ZINC000225390222	571758997	/nfs/dbraw/zinc/75/89/97/571758997.db2.gz	NXBHZSCKPFUDDX-HLGBLHBBSA-N	0	0	516.038	3.305	50	0		KGAARN
CCOCCCN1C(=O)[C@H]2[C@H](C(=O)Nc3ccc(Cl)cc3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)NC1CCCCC1	ZINC000225394012	571762862	/nfs/dbraw/zinc/76/28/62/571762862.db2.gz	KRBNTEIPZDRUHO-VJOZHJGUSA-N	0	0	516.038	3.305	50	0		KGAARN
CCOCCCN1C(=O)[C@H]2[C@H](C(=O)Nc3ccc(Cl)cc3)[C@H]3C=C[C@@]2(O3)[C@H]1C(=O)NC1CCCCC1	ZINC000225394057	571763308	/nfs/dbraw/zinc/76/33/08/571763308.db2.gz	KRBNTEIPZDRUHO-HLGBLHBBSA-N	0	0	516.038	3.305	50	0		KGAARN
CCOCCCN1C(=O)[C@H]2[C@H](C(=O)Nc3ccc(OCC)cc3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)NC1CCCCC1	ZINC000225398482	571768172	/nfs/dbraw/zinc/76/81/72/571768172.db2.gz	GMTAZIDCGCRSHZ-LCIYGTCESA-N	0	0	525.646	3.050	50	0		KGAARN
CCOCCCN1C(=O)[C@H]2[C@H](C(=O)Nc3ccc(OCC)cc3)[C@H]3C=C[C@@]2(O3)[C@H]1C(=O)NC1CCCCC1	ZINC000225398527	571768317	/nfs/dbraw/zinc/76/83/17/571768317.db2.gz	GMTAZIDCGCRSHZ-LPSUVQJGSA-N	0	0	525.646	3.050	50	0		KGAARN
CCCN1C(=O)[C@H]2[C@H](C(=O)Nc3ccc(Br)cc3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)NC1CCCCC1	ZINC000225402828	571772148	/nfs/dbraw/zinc/77/21/48/571772148.db2.gz	DHTGBVXHTHORAJ-FVJXXNBESA-N	0	0	516.436	3.397	50	0		KGAARN
CCCN1C(=O)[C@H]2[C@H](C(=O)Nc3ccc(Br)cc3)[C@H]3C=C[C@@]2(O3)[C@H]1C(=O)NC1CCCCC1	ZINC000225402870	571772016	/nfs/dbraw/zinc/77/20/16/571772016.db2.gz	DHTGBVXHTHORAJ-IXTSFIEUSA-N	0	0	516.436	3.397	50	0		KGAARN
CCOCCCN1C(=O)[C@H]2[C@H](C(=O)Nc3ccc(Br)cc3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)NC1CCCCC1	ZINC000225404152	571773431	/nfs/dbraw/zinc/77/34/31/571773431.db2.gz	YNXVEWOOKCOBJO-VJOZHJGUSA-N	0	0	560.489	3.414	50	0		KGAARN
CCOCCCN1C(=O)[C@H]2[C@H](C(=O)Nc3ccc(Br)cc3)[C@H]3C=C[C@@]2(O3)[C@H]1C(=O)NC1CCCCC1	ZINC000225404195	571773476	/nfs/dbraw/zinc/77/34/76/571773476.db2.gz	YNXVEWOOKCOBJO-HLGBLHBBSA-N	0	0	560.489	3.414	50	0		KGAARN
COCCCN1C(=O)[C@H]2[C@H](C(=O)Nc3ccc(Br)cc3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)NC1CCCCC1	ZINC000225404347	571773470	/nfs/dbraw/zinc/77/34/70/571773470.db2.gz	QFVPBKRUBKSLIO-VOVKLJIOSA-N	0	0	546.462	3.024	50	0		KGAARN
COCCCN1C(=O)[C@H]2[C@H](C(=O)Nc3ccc(Br)cc3)[C@H]3C=C[C@@]2(O3)[C@H]1C(=O)NC1CCCCC1	ZINC000225404385	571773465	/nfs/dbraw/zinc/77/34/65/571773465.db2.gz	QFVPBKRUBKSLIO-OLROQXJNSA-N	0	0	546.462	3.024	50	0		KGAARN
CC(C)N1C(=O)[C@H]2[C@H](C(=O)Nc3ccc(Br)cc3)[C@H]3C=C[C@@]2(O3)[C@H]1C(=O)NC1CCCCC1	ZINC000225404641	571773419	/nfs/dbraw/zinc/77/34/19/571773419.db2.gz	FITJFXQMIFIQFJ-IXTSFIEUSA-N	0	0	516.436	3.396	50	0		KGAARN
CC(C)N1C(=O)[C@H]2[C@H](C(=O)Nc3ccc(Br)cc3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)NC1CCCCC1	ZINC000225404686	571773956	/nfs/dbraw/zinc/77/39/56/571773956.db2.gz	FITJFXQMIFIQFJ-FVJXXNBESA-N	0	0	516.436	3.396	50	0		KGAARN
CCOCCCN1C(=O)[C@H]2[C@H](C(=O)Nc3ccc(C)c(C)c3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)NC1CCCCC1	ZINC000225410891	571779153	/nfs/dbraw/zinc/77/91/53/571779153.db2.gz	ZZSNZBVVUNKZBF-LCIYGTCESA-N	0	0	509.647	3.268	50	0		KGAARN
CCOCCCN1C(=O)[C@H]2[C@H](C(=O)Nc3ccc(C)c(C)c3)[C@H]3C=C[C@@]2(O3)[C@H]1C(=O)NC1CCCCC1	ZINC000225410937	571779318	/nfs/dbraw/zinc/77/93/18/571779318.db2.gz	ZZSNZBVVUNKZBF-LPSUVQJGSA-N	0	0	509.647	3.268	50	0		KGAARN
COC(=O)C[C@H](c1ccc(O)c(Cl)c1)c1oc(CN2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc(=O)c1O	ZINC000225411621	571779693	/nfs/dbraw/zinc/77/96/93/571779693.db2.gz	VCDUXDRYPLQRCM-HHXXYDBFSA-N	0	0	526.973	3.180	50	0		KGAARN
COC(=O)C[C@@H](c1ccc(O)c(Cl)c1)c1oc(CN2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc(=O)c1O	ZINC000225411664	571779617	/nfs/dbraw/zinc/77/96/17/571779617.db2.gz	VCDUXDRYPLQRCM-AYBZRNKSSA-N	0	0	526.973	3.180	50	0		KGAARN
COC(=O)C[C@H](c1cccc(Oc2ncccn2)c1)c1oc(CN2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc(=O)c1O	ZINC000225412227	571779733	/nfs/dbraw/zinc/77/97/33/571779733.db2.gz	HSTNJWRWPQWBDR-NHCICSSKSA-N	0	0	570.602	3.404	50	0		KGAARN
COC(=O)C[C@@H](c1cccc(Oc2ncccn2)c1)c1oc(CN2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc(=O)c1O	ZINC000225412265	571779637	/nfs/dbraw/zinc/77/96/37/571779637.db2.gz	HSTNJWRWPQWBDR-IZIIKQMZSA-N	0	0	570.602	3.404	50	0		KGAARN
COc1cc2c(c(OC)c1OC)-c1ccc(N[C@H](C)C(=O)N3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)c(=O)cc1[C@@H](NC(C)=O)CC2	ZINC000225415202	571782405	/nfs/dbraw/zinc/78/24/05/571782405.db2.gz	SDTYOGGPSQXNCM-BCHMZHATSA-N	0	0	628.726	3.471	50	0		KGAARN
COC(=O)C[C@H](c1cc(F)c(F)c(F)c1)c1oc(CN2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc(=O)c1O	ZINC000225415977	571782919	/nfs/dbraw/zinc/78/29/19/571782919.db2.gz	MEGIZPJVHWPKSB-UWWQBHOKSA-N	0	0	530.499	3.239	50	0		KGAARN
COC(=O)C[C@@H](c1cc(F)c(F)c(F)c1)c1oc(CN2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc(=O)c1O	ZINC000225416018	571783006	/nfs/dbraw/zinc/78/30/06/571783006.db2.gz	MEGIZPJVHWPKSB-HFTRVMKXSA-N	0	0	530.499	3.239	50	0		KGAARN
O=c1cc(CN2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)oc(CN2CCN(c3ccc(Cl)cc3)CC2)c1O	ZINC000225416668	571783671	/nfs/dbraw/zinc/78/36/71/571783671.db2.gz	VSHUCNLMXHUJCA-UXHICEINSA-N	0	0	523.033	3.102	50	0		KGAARN
Cc1ccc(N2CCN(Cc3oc(CN4C[C@H]5C[C@@H](C4)c4cccc(=O)n4C5)cc(=O)c3O)CC2)c(C)c1	ZINC000225420039	571787381	/nfs/dbraw/zinc/78/73/81/571787381.db2.gz	JGAQEPWQQVJMFY-PKTZIBPZSA-N	0	0	516.642	3.065	50	0		KGAARN
O=c1cc(CN2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)oc(CN2CCN(Cc3cccc(Cl)c3)CC2)c1O	ZINC000225420568	571787873	/nfs/dbraw/zinc/78/78/73/571787873.db2.gz	KLGWAXFRHBLJDU-YADHBBJMSA-N	0	0	537.060	3.098	50	0		KGAARN
COc1cc2c(c(OC)c1OC)-c1ccc(NCC(=O)N3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)c(=O)cc1[C@@H](NC(C)=O)CC2	ZINC000225422105	571788897	/nfs/dbraw/zinc/78/88/97/571788897.db2.gz	HYDOOMBTEANNNQ-KJWPAHLWSA-N	0	0	614.699	3.083	50	0		KGAARN
COC(=O)C[C@H](c1ccc2ncccc2c1)c1oc(CN2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc(=O)c1O	ZINC000225424032	571790523	/nfs/dbraw/zinc/79/05/23/571790523.db2.gz	FQRDMIHLNOHKGK-RZFNWQHOSA-N	0	0	527.577	3.370	50	0		KGAARN
COC(=O)C[C@@H](c1ccc2ncccc2c1)c1oc(CN2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc(=O)c1O	ZINC000225424070	571790410	/nfs/dbraw/zinc/79/04/10/571790410.db2.gz	FQRDMIHLNOHKGK-JZWVFAODSA-N	0	0	527.577	3.370	50	0		KGAARN
COC(=O)C[C@@H](c1ccnc2ccccc21)c1oc(CN2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc(=O)c1O	ZINC000225427912	571794760	/nfs/dbraw/zinc/79/47/60/571794760.db2.gz	PSNCRDCFMYDXKM-MSYCTHLASA-N	0	0	527.577	3.370	50	0		KGAARN
COC(=O)C[C@H](c1ccnc2ccccc21)c1oc(CN2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc(=O)c1O	ZINC000225427955	571794608	/nfs/dbraw/zinc/79/46/08/571794608.db2.gz	PSNCRDCFMYDXKM-SELNLUPBSA-N	0	0	527.577	3.370	50	0		KGAARN
C[C@]12C=C[C@@]3(O1)[C@H](C(=O)NC1CCCCC1)N(CCN1CCOCC1)C(=O)[C@H]3[C@H]2C(=O)Nc1ccc(Cl)c(Cl)c1	ZINC000225445145	571816777	/nfs/dbraw/zinc/81/67/77/571816777.db2.gz	CREOPUYNKWYDNE-HNRKFLNASA-N	0	0	591.536	3.254	50	0		KGAARN
C[C@]12C=C[C@@]3(O1)[C@H](C(=O)NC1CCCCC1)N(CCN1CCOCC1)C(=O)[C@H]3[C@@H]2C(=O)Nc1ccc(Cl)c(Cl)c1	ZINC000225445181	571816726	/nfs/dbraw/zinc/81/67/26/571816726.db2.gz	CREOPUYNKWYDNE-WMNLIOQJSA-N	0	0	591.536	3.254	50	0		KGAARN
Cc1ccc(S(=O)(=O)c2c(N)n(CC(=O)NCc3ccc4c(c3)OCO4)nc2Nc2ccccc2)cc1	ZINC000225528820	571895497	/nfs/dbraw/zinc/89/54/97/571895497.db2.gz	HGSFZBKZGMHEPF-UHFFFAOYSA-N	0	0	519.583	3.395	50	0		KGAARN
CCOC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Oc3ccc(S(=O)(=O)N4CCC[C@@H](C(=O)OCC)C4)cc3)cc2)C1	ZINC000226407069	572137723	/nfs/dbraw/zinc/13/77/23/572137723.db2.gz	BCXMYBKRMDKWPZ-FGZHOGPDSA-N	0	0	608.735	3.407	50	0		KGAARN
CCOC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(-c3ccc(S(=O)(=O)N4CCC[C@@H](C(=O)OCC)C4)cc3)cc2)C1	ZINC000226407116	572137716	/nfs/dbraw/zinc/13/77/16/572137716.db2.gz	VVQQHSXLBZZYIC-DNQXCXABSA-N	0	0	592.736	3.281	50	0		KGAARN
COc1ccccc1NC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@@H](C(=O)Nc2ccccc2OC)[C@@H]1c1cn(C)nc1C	ZINC000226593824	572139133	/nfs/dbraw/zinc/13/91/33/572139133.db2.gz	FQWCBUUYKRAPEV-NXNJFABFSA-N	0	0	520.586	3.063	50	0		KGAARN
COc1ccccc1NC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@@H](C(=O)Nc2ccccc2OC)[C@@H]1c1cnn(C)c1C	ZINC000226593860	572139115	/nfs/dbraw/zinc/13/91/15/572139115.db2.gz	SVTVASNUNNYOPG-NXNJFABFSA-N	0	0	520.586	3.063	50	0		KGAARN
COc1ccc(C(OC[C@@H]2O[C@H](n3cnc4c3nc[nH]c4=O)[C@@H](O)[C@@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1	ZINC000226843219	572143440	/nfs/dbraw/zinc/14/34/40/572143440.db2.gz	PQXVLEMIGAJLIN-SNJIXJEUSA-N	0	0	570.602	3.177	50	0		KGAARN
CC[C@@H](C)[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)N1CCOCCN(C(=O)[C@@H](NS(=O)(=O)c2ccc(C)cc2)[C@@H](C)CC)CCOCC1	ZINC000226852980	572144174	/nfs/dbraw/zinc/14/41/74/572144174.db2.gz	ZOZNTFKDJOVMTQ-LAMLPGAKSA-N	0	0	708.944	3.094	50	0		KGAARN
CC[C@H](C)[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)N1CCOCCN(C(=O)[C@@H](NS(=O)(=O)c2ccc(C)cc2)[C@@H](C)CC)CCOCC1	ZINC000226852992	572144130	/nfs/dbraw/zinc/14/41/30/572144130.db2.gz	ZOZNTFKDJOVMTQ-KOUWNTBJSA-N	0	0	708.944	3.094	50	0		KGAARN
COC(=O)[C@H](NC(=O)[C@@H](Cc1ccc(OC(=O)CNC(=O)OC(C)(C)C)cc1)NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(C)C	ZINC000226861246	572144095	/nfs/dbraw/zinc/14/40/95/572144095.db2.gz	IEUAHCFIAIJRCW-PZUNEJSGSA-N	0	0	650.770	3.007	50	0		KGAARN
COC(=O)[C@H](NC(=O)[C@H](Cc1ccc(OC(=O)CNC(=O)OC(C)(C)C)cc1)NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(C)C	ZINC000226861256	572143976	/nfs/dbraw/zinc/14/39/76/572143976.db2.gz	IEUAHCFIAIJRCW-ZKMPZPQNSA-N	0	0	650.770	3.007	50	0		KGAARN
COC(=O)[C@H](NC(=O)[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)[C@@H](CC(C)C)NC(=O)OC(C)(C)C)[C@@H](C)O	ZINC000226862854	572144040	/nfs/dbraw/zinc/14/40/40/572144040.db2.gz	OKXLZTRIEBHTNP-ORZNUPDKSA-N	0	0	599.725	3.271	50	0		KGAARN
CC[C@@H](C)[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)N1CCOCCOCCN(C(=O)[C@@H](NS(=O)(=O)c2ccc(C)cc2)[C@@H](C)CC)CCOCC1	ZINC000226864645	1059660221	/nfs/dbraw/zinc/66/02/21/1059660221.db2.gz	KZVALMGQIWHNES-DDOVKQMLSA-N	0	0	752.997	3.110	50	0		KGAARN
CC[C@H](C)[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)N1CCOCCOCCN(C(=O)[C@@H](NS(=O)(=O)c2ccc(C)cc2)[C@@H](C)CC)CCOCC1	ZINC000226864649	1059660360	/nfs/dbraw/zinc/66/03/60/1059660360.db2.gz	KZVALMGQIWHNES-ANFUHZJESA-N	0	0	752.997	3.110	50	0		KGAARN
COC(=O)[C@H](NC(=O)[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C)[C@@H](C)O	ZINC000226871206	572144357	/nfs/dbraw/zinc/14/43/57/572144357.db2.gz	CVTZNDMJTWRTRV-OQTWNIQDSA-N	0	0	633.742	3.468	50	0		KGAARN
C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)Nc3ccncc3NC(=O)c3ccc(S(=O)(=O)N4C[C@H](C)O[C@@H](C)C4)cc3)cc2)C[C@H](C)O1	ZINC000227745200	572154045	/nfs/dbraw/zinc/15/40/45/572154045.db2.gz	NBBYESGCZCUTMK-BJESRGMDSA-N	0	0	671.798	3.182	50	0		KGAARN
COc1ccc(C(OC[C@@H]2O[C@@H]3[C@@H](Oc4nc(=O)ccn43)[C@@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1	ZINC000229457498	1060026473	/nfs/dbraw/zinc/02/64/73/1060026473.db2.gz	OEIRLWHCGAICDW-BRKVKBHOSA-N	0	0	528.561	3.289	50	0		KGAARN
COc1ccc(C(=O)C2=C3C(O)N(c4ccc5c(c4)OCCO5)C(=O)[C@@H]3[C@@H]3c4ccccc4C=NN23)cc1	ZINC000229607760	572155852	/nfs/dbraw/zinc/15/58/52/572155852.db2.gz	FPVBIUUXEHHGPU-QYOOZWMWSA-N	0	0	509.518	3.228	50	0		KGAARN
O=C(NCCN1C(=O)S/C(=C/c2ccc(F)cc2)C1=O)[C@@H]1CCCCN1S(=O)(=O)c1ccccc1	ZINC000229665653	572159716	/nfs/dbraw/zinc/15/97/16/572159716.db2.gz	OZCUZGJVAUMYMN-PVKQIQIRSA-N	0	0	517.604	3.222	50	0		KGAARN
CCOC(=O)[C@@H]1[C@H](c2ccc(OC)cc2)C2(C(=O)OC3(CCCC3)OC2=O)[C@@H]2c3ccccc3C=NN12	ZINC000229681612	572159571	/nfs/dbraw/zinc/15/95/71/572159571.db2.gz	ACCXFIARLJRVLD-VABKMULXSA-N	0	0	504.539	3.472	50	0		KGAARN
COc1ccc(OC)c(NC(=O)[C@@H]2[C@@H]3C(=O)N(c4ccc5c(c4)OCO5)C(=O)[C@@H]3[C@@H]3C=Cc4ccccc4N32)c1	ZINC000229817256	572160093	/nfs/dbraw/zinc/16/00/93/572160093.db2.gz	OUVMHTRJLYGUCD-XVZMSMGLSA-N	0	0	539.544	3.461	50	0		KGAARN
CSCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](CCC(=O)OC(C)(C)C)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)[O-]	ZINC000229865312	572162225	/nfs/dbraw/zinc/16/22/25/572162225.db2.gz	GCQCHPCDHYWFIR-KCHLEUMXSA-N	0	0	712.870	3.086	50	0		KGAARN
CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)O[C@H]1[C@@H]2OC(C)(C)O[C@H]2O[C@H]1[C@@H]1COC(C)(C)O1	ZINC000229891609	572165734	/nfs/dbraw/zinc/16/57/34/572165734.db2.gz	YNIFGNHTUBRHLX-GVZMYIEESA-N	0	0	507.580	3.267	50	0		KGAARN
CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)OC[C@@H]1O[C@@H](Oc2ccc3c(c2)occ(-c2ccc4c(c2)OCCO4)c3=O)[C@H](O)[C@@H](O)[C@@H]1O	ZINC000229918721	572169745	/nfs/dbraw/zinc/16/97/45/572169745.db2.gz	JXCDWBSOTYSNDX-XBMILEQWSA-N	0	0	705.713	3.097	50	0		KGAARN
CO[C@@H]1O[C@@H]2CO[C@H](c3ccccc3)O[C@@H]2[C@@H](OC(=O)CNC(=O)OCc2ccccc2)[C@@H]1OC(=O)CNC(=O)OCc1ccccc1	ZINC000229929901	572170806	/nfs/dbraw/zinc/17/08/06/572170806.db2.gz	AVUMCTHORAUSFM-XFHZFBKUSA-N	0	0	664.664	3.148	50	0		KGAARN
Cc1ccc(CN2C(=O)NC(=O)[C@@]3(Cc4c(=O)n5cccc(C)c5nc4N4CCc5ccccc5[C@H]43)C2=O)cc1	ZINC000229980987	572176736	/nfs/dbraw/zinc/17/67/36/572176736.db2.gz	GKWJKKLIZKYWNT-DLLPINGYSA-N	0	0	533.588	3.441	50	0		KGAARN
Cc1ccc(CN2C(=O)NC(=O)[C@]3(Cc4c(=O)n5cccc(C)c5nc4N4CCc5ccccc5[C@H]43)C2=O)cc1	ZINC000229980994	572176575	/nfs/dbraw/zinc/17/65/75/572176575.db2.gz	GKWJKKLIZKYWNT-QXNWPYRLSA-N	0	0	533.588	3.441	50	0		KGAARN
CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O	ZINC000229997836	572177792	/nfs/dbraw/zinc/17/77/92/572177792.db2.gz	GDYPYMRZUSWASH-GSDHBNRESA-N	0	0	563.699	3.347	50	0		KGAARN
Cc1ccc(N(C(=O)[C@@H]2N3C(=O)C[C@H]3S(=O)(=O)C2(C)C)[C@@H](C(=O)NC2CCCCC2)c2ccc(O)cc2)cc1	ZINC000230025916	572179446	/nfs/dbraw/zinc/17/94/46/572179446.db2.gz	FHUWNMHGDNWYME-CYXNTTPDSA-N	0	0	553.681	3.358	50	0		KGAARN
Cc1ccc(N(C(=O)[C@@H]2N3C(=O)C[C@H]3S(=O)(=O)C2(C)C)[C@H](C(=O)NC2CCCCC2)c2ccc(O)cc2)cc1	ZINC000230025921	572179424	/nfs/dbraw/zinc/17/94/24/572179424.db2.gz	FHUWNMHGDNWYME-ZNZIZOMTSA-N	0	0	553.681	3.358	50	0		KGAARN
C[C@@H]1N[C@@]2(c3ccccc3N(CC(=O)N3CCc4ccccc43)C2=O)[C@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@H]12	ZINC000230029478	572180108	/nfs/dbraw/zinc/18/01/08/572180108.db2.gz	JMBVWTIZYQPIAZ-VTSCSCEWSA-N	0	0	541.007	3.269	50	0		KGAARN
Cc1c(NC(=O)[C@H](C)OC(=O)[C@@H]2CS[C@]3(c4ccc(F)cc4)CCC(=O)N23)c(=O)n(-c2ccccc2)n1C	ZINC000230032132	572180226	/nfs/dbraw/zinc/18/02/26/572180226.db2.gz	UAGUUJAZAFUUQH-WNLMNSNFSA-N	0	0	538.601	3.085	50	0		KGAARN
Cc1c(NC(=O)[C@H](C)OC(=O)[C@H]2CS[C@]3(c4ccc(F)cc4)CCC(=O)N23)c(=O)n(-c2ccccc2)n1C	ZINC000230032138	572180133	/nfs/dbraw/zinc/18/01/33/572180133.db2.gz	UAGUUJAZAFUUQH-XADOIVSYSA-N	0	0	538.601	3.085	50	0		KGAARN
O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]21)NCCCOCCOCCOCCCNC(=O)c1ccc(C(=O)c2ccccc2)cc1	ZINC000230032952	572180549	/nfs/dbraw/zinc/18/05/49/572180549.db2.gz	HCJSAUXAUBGYDL-GSBZAIBZSA-N	0	0	654.830	3.319	50	0		KGAARN
CCOC(=O)[C@@H]1CCCN(C(=O)[C@H]2c3cc(OC)c(OC)cc3C(=O)N(C)[C@H]2c2ccc(OC)cc2)C1	ZINC000230068740	572182275	/nfs/dbraw/zinc/18/22/75/572182275.db2.gz	OQHYGNKIMBNTMM-YWWLGCSWSA-N	0	0	510.587	3.425	50	0		KGAARN
CCOC(=O)[C@@H]1CCCN(C(=O)[C@@H]2c3cc(OC)c(OC)cc3C(=O)N(C)[C@H]2c2ccc(OC)cc2)C1	ZINC000230068751	572182424	/nfs/dbraw/zinc/18/24/24/572182424.db2.gz	OQHYGNKIMBNTMM-XYHYBEPMSA-N	0	0	510.587	3.425	50	0		KGAARN
CCOC(=O)C[C@H]1C(=O)NCCN1C[C@H]1c2ccccc2C2(C1=O)N(Cc1ccccc1)CCN2Cc1ccccc1	ZINC000230176102	572184474	/nfs/dbraw/zinc/18/44/74/572184474.db2.gz	ZCTSFEOWFIXHEF-JDXGNMNLSA-N	0	0	566.702	3.277	50	0		KGAARN
CCOC(=O)C[C@@H]1C(=O)NCCN1C[C@H]1c2ccccc2C2(C1=O)N(Cc1ccccc1)CCN2Cc1ccccc1	ZINC000230176111	572184435	/nfs/dbraw/zinc/18/44/35/572184435.db2.gz	ZCTSFEOWFIXHEF-MFMCTBQISA-N	0	0	566.702	3.277	50	0		KGAARN
CN(C)S(=O)(=O)c1cccc(COC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3N2S(=O)(=O)c2ccccc2)c1	ZINC000242346929	572197072	/nfs/dbraw/zinc/19/70/72/572197072.db2.gz	ZKGBDWFNNWFJOG-PMOQBDJRSA-N	0	0	506.646	3.002	50	0		KGAARN
CN(C)S(=O)(=O)c1cccc(COC(=O)[C@@H]2C[C@H]3CCCC[C@H]3N2S(=O)(=O)c2ccccc2)c1	ZINC000242346930	572196979	/nfs/dbraw/zinc/19/69/79/572196979.db2.gz	ZKGBDWFNNWFJOG-PTUXOGIPSA-N	0	0	506.646	3.002	50	0		KGAARN
CCOc1ccccc1N1CCN(C(=O)[C@@H]2CCCN(c3cccc4c3C(=O)N(C[C@H]3CCCO3)C4=O)C2)CC1	ZINC000244724212	572199913	/nfs/dbraw/zinc/19/99/13/572199913.db2.gz	MQAWTDYBHHQIEL-DHIUTWEWSA-N	0	0	546.668	3.426	50	0		KGAARN
CCOc1ccccc1N1CCN(C(=O)[C@H]2CCCN(c3cccc4c3C(=O)N(C[C@H]3CCCO3)C4=O)C2)CC1	ZINC000244724213	572199744	/nfs/dbraw/zinc/19/97/44/572199744.db2.gz	MQAWTDYBHHQIEL-XZOQPEGZSA-N	0	0	546.668	3.426	50	0		KGAARN
COc1ccc(CCN(C)C(=O)[C@H]2CCCN(c3cccc4c3C(=O)N(C[C@H]3CCCO3)C4=O)C2)cc1OC	ZINC000244735094	572199869	/nfs/dbraw/zinc/19/98/69/572199869.db2.gz	NSYDYSJMBSGDCE-FCHUYYIVSA-N	0	0	535.641	3.396	50	0		KGAARN
COc1ccc(CCN(C)C(=O)[C@@H]2CCCN(c3cccc4c3C(=O)N(C[C@H]3CCCO3)C4=O)C2)cc1OC	ZINC000244735095	572200378	/nfs/dbraw/zinc/20/03/78/572200378.db2.gz	NSYDYSJMBSGDCE-FGZHOGPDSA-N	0	0	535.641	3.396	50	0		KGAARN
CCOC(=O)C1=C(C)C2[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3C1(C)[C@H]1C(=O)N(Cc3ccccc3)C(=O)[C@H]12	ZINC000244778633	572200203	/nfs/dbraw/zinc/20/02/03/572200203.db2.gz	PUAFOKDSVWWACP-JTXUKWTJSA-N	0	0	526.589	3.119	50	0		KGAARN
Cc1cc(C)n(CCCNC(=O)[C@H]2CCCN(c3cccc4c3C(=O)N([C@H]3CCOC(C)(C)C3)C4=O)C2)n1	ZINC000244840364	572200393	/nfs/dbraw/zinc/20/03/93/572200393.db2.gz	ULTSUGMQKAHROI-VXKWHMMOSA-N	0	0	521.662	3.476	50	0		KGAARN
Cc1cc(C)n(CCCNC(=O)[C@@H]2CCCN(c3cccc4c3C(=O)N([C@H]3CCOC(C)(C)C3)C4=O)C2)n1	ZINC000244840365	572200306	/nfs/dbraw/zinc/20/03/06/572200306.db2.gz	ULTSUGMQKAHROI-YADHBBJMSA-N	0	0	521.662	3.476	50	0		KGAARN
O=C([C@H]1CCCN(c2cccc3c2C(=O)N(C[C@H]2CCCO2)C3=O)C1)N1CCN(c2ccccc2F)CC1	ZINC000244874383	572200352	/nfs/dbraw/zinc/20/03/52/572200352.db2.gz	XAHXXHSEWIWOAQ-LEWJYISDSA-N	0	0	520.605	3.166	50	0		KGAARN
O=C([C@@H]1CCCN(c2cccc3c2C(=O)N(C[C@H]2CCCO2)C3=O)C1)N1CCN(c2ccccc2F)CC1	ZINC000244874384	572200380	/nfs/dbraw/zinc/20/03/80/572200380.db2.gz	XAHXXHSEWIWOAQ-NHCUHLMSSA-N	0	0	520.605	3.166	50	0		KGAARN
CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)OCC(=O)N[C@@H]1CCC[C@H](C)[C@H]1C)n2C	ZINC000245228061	572204604	/nfs/dbraw/zinc/20/46/04/572204604.db2.gz	ATAMOSSHEZJBPU-NLWGTHIKSA-N	0	0	506.669	3.021	50	0		KGAARN
CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)OCC(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C)n2C	ZINC000245228062	572204646	/nfs/dbraw/zinc/20/46/46/572204646.db2.gz	ATAMOSSHEZJBPU-QWFCFKBJSA-N	0	0	506.669	3.021	50	0		KGAARN
C[C@@H](OC(=O)c1ccc(Cl)c(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)c1)C(=O)N[C@@H]1CCCC[C@H]1C	ZINC000245228296	572204915	/nfs/dbraw/zinc/20/49/15/572204915.db2.gz	OENMYQFODNMISZ-FLXNRXMOSA-N	0	0	501.045	3.378	50	0		KGAARN
CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N(C[C@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)c1	ZINC000245228309	562881313	/nfs/dbraw/zinc/88/13/13/562881313.db2.gz	PDGVQNKYYZNZMG-VQTJNVASSA-N	0	0	541.091	3.364	50	0		KGAARN
CCOC(=O)C1=C(C)C2[C@@H]3C(=O)N(c4ccccc4F)C(=O)[C@@H]3C1(C)[C@H]1C(=O)N(c3ccccc3F)C(=O)[C@H]12	ZINC000245231728	572209172	/nfs/dbraw/zinc/20/91/72/572209172.db2.gz	JMKJJSVJKJMKSY-URBGSVJMSA-N	0	0	534.515	3.406	50	0		KGAARN
COc1ccc(C(OC[C@@H]2O[C@H](n3cnc4c3nc[nH]c4=O)[C@H](O)[C@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1	ZINC000245232153	572209462	/nfs/dbraw/zinc/20/94/62/572209462.db2.gz	PQXVLEMIGAJLIN-KHJGLVBMSA-N	0	0	570.602	3.177	50	0		KGAARN
COc1ccc(C(OC[C@@H]2O[C@H](n3cnc4c3nc[nH]c4=O)[C@@H](O)[C@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1	ZINC000245232154	572209508	/nfs/dbraw/zinc/20/95/08/572209508.db2.gz	PQXVLEMIGAJLIN-LRVPPHGTSA-N	0	0	570.602	3.177	50	0		KGAARN
COc1ccc(C(OC[C@@H]2O[C@H](n3cnc4c3nc[nH]c4=O)[C@H](O)[C@@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1	ZINC000245232155	572209469	/nfs/dbraw/zinc/20/94/69/572209469.db2.gz	PQXVLEMIGAJLIN-PZWXIZEVSA-N	0	0	570.602	3.177	50	0		KGAARN
CCOC(=O)C1=C(C)C2[C@@H]3C(=O)N(c4ccccc4OC)C(=O)[C@@H]3C1(C)[C@H]1C(=O)N(c3ccccc3OC)C(=O)[C@H]12	ZINC000245232239	572209512	/nfs/dbraw/zinc/20/95/12/572209512.db2.gz	RHHIVWFRQKBGHI-JTXUKWTJSA-N	0	0	558.587	3.145	50	0		KGAARN
CCOc1ccccc1N1C(=O)[C@H]2[C@H](C1=O)[C@@]1(Br)C=C(C(=O)OC)[C@@H]2[C@H]2C(=O)N(c3ccccc3OCC)C(=O)[C@H]21	ZINC000245232332	572209511	/nfs/dbraw/zinc/20/95/11/572209511.db2.gz	SPYWZTMYLFFYMB-GFDLAQRESA-N	0	0	623.456	3.272	50	0		KGAARN
CCOc1ccccc1N1C(=O)[C@H]2[C@@H](C1=O)[C@]1(Br)C=C(C(=O)OC)[C@H]2[C@@H]2C(=O)N(c3ccccc3OCC)C(=O)[C@H]21	ZINC000245232333	572209510	/nfs/dbraw/zinc/20/95/10/572209510.db2.gz	SPYWZTMYLFFYMB-GYNMPVJRSA-N	0	0	623.456	3.272	50	0		KGAARN
CCOc1ccccc1N1C(=O)[C@H]2[C@@H](C1=O)[C@]1(Br)C=C(C(=O)OC)[C@H]2[C@@H]2C(=O)N(c3ccccc3OCC)C(=O)[C@@H]21	ZINC000245232334	572209446	/nfs/dbraw/zinc/20/94/46/572209446.db2.gz	SPYWZTMYLFFYMB-PIPWRZMPSA-N	0	0	623.456	3.272	50	0		KGAARN
COc1ccc([C@@H]2[NH2+][C@](Cc3ccccc3)(C(=O)[O-])[C@H]3C(=O)N(c4ccccc4OC)C(=O)[C@@H]23)c(OC)c1	ZINC000245234724	572209787	/nfs/dbraw/zinc/20/97/87/572209787.db2.gz	DEUAGWIKHKNXBA-ANARSLNQSA-N	0	0	516.550	3.229	50	0		KGAARN
COc1ccc([C@@H]2[NH2+][C@](Cc3ccccc3)(C(=O)[O-])[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@@H]23)c(OC)c1OC	ZINC000245235115	572210217	/nfs/dbraw/zinc/21/02/17/572210217.db2.gz	HXJVOVUNGVMDGD-NBOGMJGSSA-N	0	0	534.540	3.368	50	0		KGAARN
COc1ccc([C@@H]2[NH2+][C@](Cc3ccccc3)(C(=O)[O-])[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@@H]23)c(OC)c1	ZINC000245235435	572210230	/nfs/dbraw/zinc/21/02/30/572210230.db2.gz	KJKSCFDLJSDJAM-DFIMXKNXSA-N	0	0	504.514	3.359	50	0		KGAARN
COc1ccc([C@@H]2[NH2+][C@](Cc3ccccc3)(C(=O)[O-])[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@@H]23)cc1OC	ZINC000245235675	572210118	/nfs/dbraw/zinc/21/01/18/572210118.db2.gz	NBBGGRUKOQSQIY-DFIMXKNXSA-N	0	0	504.514	3.359	50	0		KGAARN
COc1cc2c(cc1OC)[C@@H]1[C@H](C(=O)NC[C@H]3COc4ccccc4O3)c3ccccc3C(=O)N1CC2	ZINC000245236421	572210525	/nfs/dbraw/zinc/21/05/25/572210525.db2.gz	SSCLKSPNENVIFB-IYYJOCMQSA-N	0	0	500.551	3.497	50	0		KGAARN
COc1cc2c(cc1OC)[C@@H]1[C@@H](C(=O)NC[C@H]3COc4ccccc4O3)c3ccccc3C(=O)N1CC2	ZINC000245236422	572210469	/nfs/dbraw/zinc/21/04/69/572210469.db2.gz	SSCLKSPNENVIFB-RHLLTPQKSA-N	0	0	500.551	3.497	50	0		KGAARN
O=C(Nc1ccc2c(c1)OCO2)[C@@H]1[C@@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@H]2[C@H]2c3ccccc3C=CN12	ZINC000245240210	572213842	/nfs/dbraw/zinc/21/38/42/572213842.db2.gz	NNAMYKHIRRRNHR-CWTOASCOSA-N	0	0	537.528	3.341	50	0		KGAARN
O=C(Nc1ccc2c(c1)OCO2)[C@@H]1[C@@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@H]2[C@@H]2c3ccccc3C=CN21	ZINC000245240212	572213743	/nfs/dbraw/zinc/21/37/43/572213743.db2.gz	NNAMYKHIRRRNHR-XDZXDJIYSA-N	0	0	537.528	3.341	50	0		KGAARN
O=C(Nc1ccc2c(c1)OCO2)[C@@H]1[C@@H]2C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@H]2[C@H]2c3ccccc3C=CN12	ZINC000245240419	572213769	/nfs/dbraw/zinc/21/37/69/572213769.db2.gz	RIZPNLASTUJFMG-POTDNYQPSA-N	0	0	523.501	3.298	50	0		KGAARN
Cc1cccc(C)c1-n1nnnc1[C@H](c1ccc(Cl)cc1Cl)N1C[C@@]23C=C[C@@H](O2)[C@H](C(=O)N2CCOCC2)[C@H]3C1=O	ZINC000245242127	572216945	/nfs/dbraw/zinc/21/69/45/572216945.db2.gz	ADJWRFBQDAZQJA-HPBSMFDNSA-N	0	0	595.487	3.316	50	0		KGAARN
C[C@@H]1N[C@@]2(c3ccccc3N(CC(=O)N3CCc4ccccc43)C2=O)[C@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@@H]12	ZINC000245255633	572222089	/nfs/dbraw/zinc/22/20/89/572222089.db2.gz	JMBVWTIZYQPIAZ-VUOAUEITSA-N	0	0	541.007	3.269	50	0		KGAARN
CCOC(=O)C1=C(C(F)(F)F)N=c2sc(=Cc3cc(OC)c(OC)c(OC)c3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2	ZINC000245266153	572223764	/nfs/dbraw/zinc/22/37/64/572223764.db2.gz	IWHVRFXRTWCQLE-NRFANRHFSA-N	0	0	592.548	3.095	50	0		KGAARN
CCOC(=O)C1=C(C(F)(F)F)N=c2sc(=Cc3cc(OC)c(OC)c(OC)c3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2	ZINC000245266155	572223761	/nfs/dbraw/zinc/22/37/61/572223761.db2.gz	IWHVRFXRTWCQLE-OAQYLSRUSA-N	0	0	592.548	3.095	50	0		KGAARN
COc1ccccc1N1CCN2c3ccc(C(F)(F)F)cc3C[C@@H](C(=O)NCCCN3CCOCC3)[C@H]2C1	ZINC000245279146	572223970	/nfs/dbraw/zinc/22/39/70/572223970.db2.gz	FJLXNCWJMZXVQG-RCZVLFRGSA-N	0	0	532.607	3.420	50	0		KGAARN
COc1ccccc1N1CCN2c3ccc(C(F)(F)F)cc3C[C@H](C(=O)NCCCN3CCOCC3)[C@H]2C1	ZINC000245279147	572224017	/nfs/dbraw/zinc/22/40/17/572224017.db2.gz	FJLXNCWJMZXVQG-WIOPSUGQSA-N	0	0	532.607	3.420	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(S(=O)(=O)c3ccccc3)[C@@H](C)C2)N(CC)C(=O)N[C@H]1c1cccc(C)c1	ZINC000245279500	572224062	/nfs/dbraw/zinc/22/40/62/572224062.db2.gz	GHJKWPGVGZWJJL-LVXARBLLSA-N	0	0	540.686	3.293	50	0		KGAARN
COc1ccc(C(=O)N[C@H]2CC[C@H](NC(=O)[C@@H]3CCCN3S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1	ZINC000245279998	572224811	/nfs/dbraw/zinc/22/48/11/572224811.db2.gz	LWDGEADPWHIQNS-JTAQYXEDSA-N	0	0	520.051	3.359	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(S(=O)(=O)c3ccc(C)cc3)[C@@H](C)C2)N(CC)C(=O)N[C@H]1c1ccccc1	ZINC000245281299	572225333	/nfs/dbraw/zinc/22/53/33/572225333.db2.gz	XCWUBIZXAUDOPA-LVXARBLLSA-N	0	0	540.686	3.293	50	0		KGAARN
CC(=O)OC[C@@H]1O[C@H](COc2ccc(C(=O)Cc3csc(-c4ccccc4)n3)c(O)c2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O	ZINC000245283694	572225331	/nfs/dbraw/zinc/22/53/31/572225331.db2.gz	OHDNAVPGJHLVLB-GKFQJYPJSA-N	0	0	655.678	3.446	50	0		KGAARN
CC(=O)OC[C@@H]1O[C@H](COc2ccc(C(=O)Cc3csc(-c4ccccc4)n3)c(O)c2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000245283695	572225199	/nfs/dbraw/zinc/22/51/99/572225199.db2.gz	OHDNAVPGJHLVLB-HYKJKDMVSA-N	0	0	655.678	3.446	50	0		KGAARN
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CCC[C@H](C(=O)N1CCN(C(=O)[C@H](CCC)N2C(=O)[C@@H]3CC=C(Cl)C[C@@H]3C2=O)CC1)N1C(=O)[C@@H]2CC(Cl)=CC[C@@H]2C1=O	ZINC000245294831	572226209	/nfs/dbraw/zinc/22/62/09/572226209.db2.gz	ARQBZIAQTPFVDV-OOZBTIENSA-N	0	0	621.562	3.030	50	0		KGAARN
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CC[C@H](C)[C@@H](NC(=O)[C@H](CCC(=O)OCc1ccccc1)NC(=O)[C@@H](CCSC)NC(=O)OC(C)(C)C)C(=O)N[C@H](C(N)=O)[C@@H](C)CC	ZINC000245295994	572226738	/nfs/dbraw/zinc/22/67/38/572226738.db2.gz	IRVDXUQGNWREPJ-HQFZOUDQSA-N	0	0	693.908	3.188	50	0		KGAARN
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CCOC(=O)C1=C(CN2CCN(C(=O)c3ccc(OC)cc3)[C@@H](C)C2)N(C)C(=O)N[C@H]1c1ccc(F)cc1	ZINC000245325569	572231276	/nfs/dbraw/zinc/23/12/76/572231276.db2.gz	AWTQYDUOKRAXKR-BVZFJXPGSA-N	0	0	524.593	3.194	50	0		KGAARN
CCNC(=O)N1CCN(CC2=C(C(=O)OCC)[C@@H](c3ccc(Cl)cc3Cl)NC(=O)N2C)C[C@H]1C	ZINC000245325979	572231876	/nfs/dbraw/zinc/23/18/76/572231876.db2.gz	CMGAYYKNRNQSPC-JLTOFOAXSA-N	0	0	512.438	3.242	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)NC(C)C)[C@@H](C)C2)N(C)C(=O)N[C@H]1c1ccccc1C(F)(F)F	ZINC000245326115	572232504	/nfs/dbraw/zinc/23/25/04/572232504.db2.gz	DFKLKABOHDPBJD-KKSFZXQISA-N	0	0	525.572	3.343	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(S(=O)(=O)c3ccccc3)[C@@H](C)C2)N(CC)C(=O)N[C@H]1c1ccc(F)cc1	ZINC000245326132	572232509	/nfs/dbraw/zinc/23/25/09/572232509.db2.gz	DGLSPJCAHUBRFZ-DFBJGRDBSA-N	0	0	544.649	3.124	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)c3ccc(C)cc3)[C@@H](C)C2)N(C)C(=O)N[C@H]1c1cccc(F)c1	ZINC000245327031	572233452	/nfs/dbraw/zinc/23/34/52/572233452.db2.gz	HXQHFLNREQXIII-DFBJGRDBSA-N	0	0	508.594	3.494	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)c3ccc(OC)cc3)[C@@H](C)C2)N(C)C(=O)N[C@H]1c1ccc(C)cc1	ZINC000245327037	572233476	/nfs/dbraw/zinc/23/34/76/572233476.db2.gz	HYBKWPDYKRXCQS-FNZWTVRRSA-N	0	0	520.630	3.363	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)c3ccc(OC)cc3)[C@@H](C)C2)N(C)C(=O)N[C@H]1c1ccccc1C	ZINC000245327054	572233617	/nfs/dbraw/zinc/23/36/17/572233617.db2.gz	IEYFCLKWSUZSIK-FNZWTVRRSA-N	0	0	520.630	3.363	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)NC(C)C)[C@@H](C)C2)N(C)C(=O)N[C@H]1c1ccc(C(F)(F)F)cc1	ZINC000245327070	572233493	/nfs/dbraw/zinc/23/34/93/572233493.db2.gz	INUZMJMRINEKGN-KKSFZXQISA-N	0	0	525.572	3.343	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)c3ccc(C)cc3)[C@@H](C)C2)N(C)C(=O)N[C@H]1c1ccccc1OC	ZINC000245327409	572234178	/nfs/dbraw/zinc/23/41/78/572234178.db2.gz	IZXHQXCUUFITEF-FNZWTVRRSA-N	0	0	520.630	3.363	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)c3ccc(F)cc3)[C@@H](C)C2)N(C)C(=O)N[C@H]1c1ccc(C)cc1	ZINC000245327433	572234037	/nfs/dbraw/zinc/23/40/37/572234037.db2.gz	JHLJSNMHIVTWQP-DFBJGRDBSA-N	0	0	508.594	3.494	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(S(=O)(=O)c3ccccc3)[C@@H](C)C2)N(C)C(=O)N[C@H]1c1ccc(Cl)cc1	ZINC000245327465	572234104	/nfs/dbraw/zinc/23/41/04/572234104.db2.gz	JJYQVDJQGOMQPU-UUOWRZLLSA-N	0	0	547.077	3.248	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)c3ccc(F)cc3)[C@@H](C)C2)N(C)C(=O)N[C@H]1c1ccccc1F	ZINC000245327558	572234007	/nfs/dbraw/zinc/23/40/07/572234007.db2.gz	KNJCLSWFTHPETO-XDHUDOTRSA-N	0	0	512.557	3.325	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)NC(C)(C)C)[C@@H](C)C2)N(CC)C(=O)N[C@H]1c1ccccc1F	ZINC000245327899	572234340	/nfs/dbraw/zinc/23/43/40/572234340.db2.gz	LCDNVPLLVHHLIR-JTSKRJEESA-N	0	0	503.619	3.243	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)NC(C)(C)C)[C@@H](C)C2)N(CC)C(=O)N[C@H]1c1cc(OC)ccc1OC	ZINC000245327911	572234401	/nfs/dbraw/zinc/23/44/01/572234401.db2.gz	LGRRMMQZWMDFDP-UUOWRZLLSA-N	0	0	545.681	3.121	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)c3ccc(F)cc3)[C@@H](C)C2)N(C)C(=O)N[C@H]1c1ccccc1C	ZINC000245327915	572234372	/nfs/dbraw/zinc/23/43/72/572234372.db2.gz	LHNGICLLRRJAMA-DFBJGRDBSA-N	0	0	508.594	3.494	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)c3cccc(OC)c3)[C@@H](C)C2)N(C)C(=O)N[C@H]1c1ccccc1C	ZINC000245327943	572234438	/nfs/dbraw/zinc/23/44/38/572234438.db2.gz	LXERVYQYLDYJII-FNZWTVRRSA-N	0	0	520.630	3.363	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)c3ccc(OC)cc3)[C@@H](C)C2)N(C)C(=O)N[C@H]1c1cccc(F)c1	ZINC000245327973	572234403	/nfs/dbraw/zinc/23/44/03/572234403.db2.gz	MGNFPMYNJJQFSC-BVZFJXPGSA-N	0	0	524.593	3.194	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)NC(C)(C)C)[C@@H](C)C2)N(C)C(=O)N[C@H]1c1ccccc1Cl	ZINC000245328003	572234385	/nfs/dbraw/zinc/23/43/85/572234385.db2.gz	MKTOXHLYFPQXJU-KKSFZXQISA-N	0	0	506.047	3.368	50	0		KGAARN
CCNC(=O)N1CCN(CC2=C(C(=O)OCC)[C@@H](c3ccc(C(F)(F)F)cc3)NC(=O)N2CC)C[C@H]1C	ZINC000245328034	572234476	/nfs/dbraw/zinc/23/44/76/572234476.db2.gz	MSZHOZTVGAUPJJ-IIBYNOLFSA-N	0	0	525.572	3.344	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)c3ccccc3)[C@@H](C)C2)N(C)C(=O)N[C@H]1c1cccc(OC)c1OC	ZINC000245328319	572234906	/nfs/dbraw/zinc/23/49/06/572234906.db2.gz	NBXCQCYOLGSMOH-DFBJGRDBSA-N	0	0	536.629	3.064	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)c3cccc(F)c3)[C@@H](C)C2)N(C)C(=O)N[C@H]1c1ccc(C)cc1	ZINC000245328428	572234891	/nfs/dbraw/zinc/23/48/91/572234891.db2.gz	OKILPFLEGPHHKP-DFBJGRDBSA-N	0	0	508.594	3.494	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(S(=O)(=O)c3ccccc3)[C@@H](C)C2)N(CC)C(=O)N[C@H]1c1cccc(F)c1	ZINC000245328445	572234914	/nfs/dbraw/zinc/23/49/14/572234914.db2.gz	ONGQYSHUUNUVRM-DFBJGRDBSA-N	0	0	544.649	3.124	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(S(=O)(=O)c3ccc(C)cc3)[C@@H](C)C2)N(C)C(=O)N[C@H]1c1cccc(F)c1	ZINC000245328728	572235088	/nfs/dbraw/zinc/23/50/88/572235088.db2.gz	PAAZYVNIUOVOCX-DFBJGRDBSA-N	0	0	544.649	3.042	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)NC(C)(C)C)[C@@H](C)C2)N(CC)C(=O)N[C@H]1c1ccc(F)cc1	ZINC000245328734	572235199	/nfs/dbraw/zinc/23/51/99/572235199.db2.gz	PCSSSLNCHIHFQT-JTSKRJEESA-N	0	0	503.619	3.243	50	0		KGAARN
CCNC(=O)N1CCN(CC2=C(C(=O)OCC)[C@@H](c3ccccc3C(F)(F)F)NC(=O)N2CC)C[C@H]1C	ZINC000245328751	572235133	/nfs/dbraw/zinc/23/51/33/572235133.db2.gz	PHDAACOKUMCTIV-IIBYNOLFSA-N	0	0	525.572	3.344	50	0		KGAARN
CCNC(=O)N1CCN(CC2=C(C(=O)OCC)[C@@H](c3cccc(Cl)c3Cl)NC(=O)N2C)C[C@H]1C	ZINC000245328855	572235114	/nfs/dbraw/zinc/23/51/14/572235114.db2.gz	QCSUOSRGOFNKQP-JLTOFOAXSA-N	0	0	512.438	3.242	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)C3CC3)[C@@H](C)C2)N(C)C(=O)N[C@H]1c1cccc(Cl)c1Cl	ZINC000245328861	572235164	/nfs/dbraw/zinc/23/51/64/572235164.db2.gz	QHMOVIVQRZAFOC-QKKBWIMNSA-N	0	0	509.434	3.449	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(S(=O)(=O)c3ccccc3)[C@@H](C)C2)N(C)C(=O)N[C@H]1c1ccccc1Cl	ZINC000245329142	572235605	/nfs/dbraw/zinc/23/56/05/572235605.db2.gz	QYKCYDPXWCGCOC-UUOWRZLLSA-N	0	0	547.077	3.248	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)NC(C)(C)C)[C@@H](C)C2)N(CC)C(=O)N[C@H]1c1ccc(OC)cc1OC	ZINC000245329178	572235625	/nfs/dbraw/zinc/23/56/25/572235625.db2.gz	RFINYJGGGULRQS-UUOWRZLLSA-N	0	0	545.681	3.121	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)c3ccc(F)cc3)[C@@H](C)C2)N(C)C(=O)N[C@H]1c1ccc(F)cc1	ZINC000245329182	572235603	/nfs/dbraw/zinc/23/56/03/572235603.db2.gz	RFKLARHLCGRBMN-XDHUDOTRSA-N	0	0	512.557	3.325	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)c3cccc(OC)c3)[C@@H](C)C2)N(C)C(=O)N[C@H]1c1ccc(C)cc1	ZINC000245329232	572235622	/nfs/dbraw/zinc/23/56/22/572235622.db2.gz	RQRBNTQLDOWPLS-FNZWTVRRSA-N	0	0	520.630	3.363	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)c3ccc(F)cc3)[C@@H](C)C2)N(C)C(=O)N[C@H]1c1cccc(F)c1	ZINC000245329259	572235670	/nfs/dbraw/zinc/23/56/70/572235670.db2.gz	SAEKBKYFMUZDSX-XDHUDOTRSA-N	0	0	512.557	3.325	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)c3cccc(F)c3)[C@@H](C)C2)N(C)C(=O)N[C@H]1c1ccccc1C	ZINC000245329261	572235557	/nfs/dbraw/zinc/23/55/57/572235557.db2.gz	SAFLMFDXGXBSDN-DFBJGRDBSA-N	0	0	508.594	3.494	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)C(C)C)[C@@H](C)C2)N(C)C(=O)N[C@H]1c1ccc(C(F)(F)F)cc1	ZINC000245329616	572236005	/nfs/dbraw/zinc/23/60/05/572236005.db2.gz	UDCJLRLFLLQWJA-KKSFZXQISA-N	0	0	510.557	3.407	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)c3cccs3)[C@@H](C)C2)N(C)C(=O)N[C@H]1c1cccc(F)c1	ZINC000245329623	572236023	/nfs/dbraw/zinc/23/60/23/572236023.db2.gz	UGNTZNOHRQTDMX-AOMKIAJQSA-N	0	0	500.596	3.247	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)NC(C)C)[C@@H](C)C2)N(CC)C(=O)N[C@H]1c1ccccc1Cl	ZINC000245329626	572236019	/nfs/dbraw/zinc/23/60/19/572236019.db2.gz	UJGCVXKVGFTTAQ-JTSKRJEESA-N	0	0	506.047	3.368	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)c3ccccc3F)[C@@H](C)C2)N(C)C(=O)N[C@H]1c1ccc(C)cc1	ZINC000245329656	572236151	/nfs/dbraw/zinc/23/61/51/572236151.db2.gz	VCIVDXPOIADLGK-DFBJGRDBSA-N	0	0	508.594	3.494	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)c3ccccc3F)[C@@H](C)C2)N(C)C(=O)N[C@H]1c1ccccc1C	ZINC000245329691	572236068	/nfs/dbraw/zinc/23/60/68/572236068.db2.gz	VPGIIEONKNLOGH-DFBJGRDBSA-N	0	0	508.594	3.494	50	0		KGAARN
CCOC(=O)[C@@H]1CCCN(S(=O)(=O)[C@H]2CON(C)[C@@H]2c2ccc(OCc3ccccc3)c(OC)c2)C1	ZINC000245330024	572236052	/nfs/dbraw/zinc/23/60/52/572236052.db2.gz	WPCRTCJNQOWSSS-IEZKXTBUSA-N	0	0	518.632	3.166	50	0		KGAARN
CCOC(=O)[C@@H]1CCCN(S(=O)(=O)[C@@H]2CON(C)[C@H]2c2ccc(OCc3ccccc3)c(OC)c2)C1	ZINC000245330027	572236014	/nfs/dbraw/zinc/23/60/14/572236014.db2.gz	WPCRTCJNQOWSSS-SDUSCBPUSA-N	0	0	518.632	3.166	50	0		KGAARN
CCOC(=O)[C@@H]1CCCN(S(=O)(=O)[C@H]2CON(C)[C@H]2c2ccc(OCc3ccccc3)c(OC)c2)C1	ZINC000245330030	572235954	/nfs/dbraw/zinc/23/59/54/572235954.db2.gz	WPCRTCJNQOWSSS-ZODMCCGTSA-N	0	0	518.632	3.166	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)c3ccccc3F)[C@@H](C)C2)N(C)C(=O)N[C@H]1c1cccc(F)c1	ZINC000245330070	572236065	/nfs/dbraw/zinc/23/60/65/572236065.db2.gz	WVDFNTNCUOLAFK-XDHUDOTRSA-N	0	0	512.557	3.325	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(S(=O)(=O)c3ccc(Cl)cc3)[C@@H](C)C2)N(C)C(=O)N[C@H]1c1ccccc1	ZINC000245330130	572236391	/nfs/dbraw/zinc/23/63/91/572236391.db2.gz	XJJNIBYESNCMID-UUOWRZLLSA-N	0	0	547.077	3.248	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)c3ccc(C)cc3)[C@@H](C)C2)N(C)C(=O)N[C@H]1c1ccc(F)cc1	ZINC000245330136	572236510	/nfs/dbraw/zinc/23/65/10/572236510.db2.gz	XMICKHZCZPICBF-DFBJGRDBSA-N	0	0	508.594	3.494	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)NC(C)C)[C@@H](C)C2)N(CC)C(=O)N[C@H]1c1ccc(Cl)cc1	ZINC000245330390	572236482	/nfs/dbraw/zinc/23/64/82/572236482.db2.gz	YANQVXLRNBPCJQ-JTSKRJEESA-N	0	0	506.047	3.368	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)C3CCCC3)[C@@H](C)C2)N(CC)C(=O)N[C@H]1c1cccc(F)c1	ZINC000245330438	572236372	/nfs/dbraw/zinc/23/63/72/572236372.db2.gz	YPFPKALVRWEARD-UUOWRZLLSA-N	0	0	500.615	3.452	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)c3cccc(F)c3)[C@@H](C)C2)N(C)C(=O)N[C@H]1c1ccc(F)cc1	ZINC000245330446	572236380	/nfs/dbraw/zinc/23/63/80/572236380.db2.gz	YRCUOIZTNGKUPY-XDHUDOTRSA-N	0	0	512.557	3.325	50	0		KGAARN
CCCNC(=O)N1CCN(CC2=C(C(=O)OCC)[C@@H](c3ccc(Cl)cc3)NC(=O)N2CC)C[C@H]1C	ZINC000245330621	572236434	/nfs/dbraw/zinc/23/64/34/572236434.db2.gz	ZMVOCVRXTCAGML-VGOFRKELSA-N	0	0	506.047	3.369	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)c3cccs3)[C@@H](C)C2)N(C)C(=O)N[C@H]1c1ccc(F)cc1	ZINC000245330650	572236374	/nfs/dbraw/zinc/23/63/74/572236374.db2.gz	ZYXSGZQSRALAPX-AOMKIAJQSA-N	0	0	500.596	3.247	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)c3ccc(C)cc3)[C@@H](C)C2)N(C)C(=O)N[C@H]1c1cccc(OC)c1OC	ZINC000245342972	572236768	/nfs/dbraw/zinc/23/67/68/572236768.db2.gz	AMSKHVCYBWWWOK-FNZWTVRRSA-N	0	0	550.656	3.372	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)c3ccco3)[C@@H](C)C2)N(CC)C(=O)N[C@H]1c1ccc(OC)cc1	ZINC000245343053	572237197	/nfs/dbraw/zinc/23/71/97/572237197.db2.gz	CZIYGDRCWLZEBJ-UUOWRZLLSA-N	0	0	510.591	3.038	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)NC(C)(C)C)[C@@H](C)C2)N(CC)C(=O)N[C@H]1c1ccccc1OC	ZINC000245343084	572237421	/nfs/dbraw/zinc/23/74/21/572237421.db2.gz	DZWQTTAQMTVJHM-MBSDFSHPSA-N	0	0	515.655	3.113	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(S(=O)(=O)c3ccc(Cl)cc3)[C@@H](C)C2)N(C)C(=O)N[C@H]1c1ccc(F)cc1	ZINC000245343085	572237346	/nfs/dbraw/zinc/23/73/46/572237346.db2.gz	FAMPJSVJPDXWOB-XDHUDOTRSA-N	0	0	565.067	3.387	50	0		KGAARN
Cc1cccc(N2CC[N@@H+](CCCNC(=O)c3ccc(NC4=N[C@@H]5CS(=O)(=O)C[C@H]5S4)cc3)C[C@@H]2C)c1	ZINC000245343120	572237263	/nfs/dbraw/zinc/23/72/63/572237263.db2.gz	GDVHZUOOZSKIQX-BUUDZMLXSA-N	0	0	541.743	3.006	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)c3ccc(OC)cc3)[C@@H](C)C2)N(C)C(=O)N[C@H]1c1cccc(OC)c1OC	ZINC000245343155	572237790	/nfs/dbraw/zinc/23/77/90/572237790.db2.gz	GYIDROLGNQQCLN-SIBVEZHUSA-N	0	0	566.655	3.072	50	0		KGAARN
COc1ccc(Br)cc1CNC(=O)[C@@H]1CCCN(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)C1	ZINC000245343264	562881604	/nfs/dbraw/zinc/88/16/04/562881604.db2.gz	JZOKEEYHRYFDNI-BRWVUGGUSA-N	0	0	502.475	3.009	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)c3cccc(F)c3)[C@@H](C)C2)N(C)C(=O)N[C@H]1c1ccc(OC)c(OC)c1	ZINC000245343280	572238138	/nfs/dbraw/zinc/23/81/38/572238138.db2.gz	KLILGMKKNXOZSG-QYBDOPJKSA-N	0	0	554.619	3.203	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)c3ccccc3F)[C@@H](C)C2)N(C)C(=O)N[C@H]1c1cc(OC)ccc1OC	ZINC000245343301	572238217	/nfs/dbraw/zinc/23/82/17/572238217.db2.gz	LARPFDDNTRLIEL-QYBDOPJKSA-N	0	0	554.619	3.203	50	0		KGAARN
COc1ccc(S(=O)(=O)N2CCC[C@@H](C)C2)cc1N1CCN(C(=O)[C@H](C)Oc2ccccc2)CC1	ZINC000245343311	572238272	/nfs/dbraw/zinc/23/82/72/572238272.db2.gz	LPHPMDNYKCMSIX-RTWAWAEBSA-N	0	0	501.649	3.232	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(S(=O)(=O)c3ccc(C)cc3)[C@@H](C)C2)N(CC)C(=O)N[C@H]1c1ccccc1F	ZINC000245343382	572238494	/nfs/dbraw/zinc/23/84/94/572238494.db2.gz	NITSGBQBYXMNQV-FNZWTVRRSA-N	0	0	558.676	3.433	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)c3ccco3)[C@@H](C)C2)N(C)C(=O)N[C@H]1c1ccc(Cl)cc1	ZINC000245343435	572238525	/nfs/dbraw/zinc/23/85/25/572238525.db2.gz	OUJJNSMALOICRU-AOMKIAJQSA-N	0	0	500.983	3.293	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(S(=O)(=O)c3ccc(Cl)cc3)[C@@H](C)C2)N(C)C(=O)N[C@H]1c1cccc(F)c1	ZINC000245343593	572239432	/nfs/dbraw/zinc/23/94/32/572239432.db2.gz	SREQKBMTIHZLKN-XDHUDOTRSA-N	0	0	565.067	3.387	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(S(=O)(=O)c3ccc(C)cc3)[C@@H](C)C2)N(CC)C(=O)N[C@H]1c1cccc(F)c1	ZINC000245343674	572239849	/nfs/dbraw/zinc/23/98/49/572239849.db2.gz	VWHBBBOTPCVYSJ-FNZWTVRRSA-N	0	0	558.676	3.433	50	0		KGAARN
CCN(CCCNC(=O)Cc1ccc(NC2=N[C@@H]3CS(=O)(=O)C[C@H]3S2)cc1)c1cccc(C)c1	ZINC000245343738	572239842	/nfs/dbraw/zinc/23/98/42/572239842.db2.gz	YJLVUJBJORFZRS-DHIUTWEWSA-N	0	0	500.690	3.251	50	0		KGAARN
CCN(CCCNC(=O)Cc1ccc(NC2=N[C@H]3CS(=O)(=O)C[C@H]3S2)cc1)c1cccc(C)c1	ZINC000245343739	572239824	/nfs/dbraw/zinc/23/98/24/572239824.db2.gz	YJLVUJBJORFZRS-XZOQPEGZSA-N	0	0	500.690	3.251	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(c3cccc(C)c3)[C@@H](C)C2)NC(=O)N[C@H]1c1cccc(OC)c1OC	ZINC000245380985	572240574	/nfs/dbraw/zinc/24/05/74/572240574.db2.gz	ZEPGDUXOKIBORH-DFBJGRDBSA-N	0	0	508.619	3.394	50	0		KGAARN
O=C([O-])CC[C@@H]1[NH2+][C@@]2(c3ccccc3N(Cc3ccccc3F)C2=O)[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]21	ZINC000247372531	572242170	/nfs/dbraw/zinc/24/21/70/572242170.db2.gz	HKAUWMMVQGDEAJ-QXQHHZKDSA-N	0	0	527.552	3.206	50	0		KGAARN
O=C([O-])CC[C@@H]1[NH2+][C@@]2(c3ccccc3N(Cc3ccccc3F)C2=O)[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]12	ZINC000247372539	572242189	/nfs/dbraw/zinc/24/21/89/572242189.db2.gz	HKAUWMMVQGDEAJ-UGMGLIFWSA-N	0	0	527.552	3.206	50	0		KGAARN
O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)NCCCOCCOCCOCCCNC(=O)c1ccc(C(=O)c2ccccc2)cc1	ZINC000247760699	572245071	/nfs/dbraw/zinc/24/50/71/572245071.db2.gz	HCJSAUXAUBGYDL-QMOZSOIISA-N	0	0	654.830	3.319	50	0		KGAARN
O=C(C1CCN(Cc2nc3ccccc3n2-c2ccc(Br)cc2)CC1)N1CCN(CCO)CC1	ZINC000247764046	572245034	/nfs/dbraw/zinc/24/50/34/572245034.db2.gz	JKIHDTVGDCUXPT-UHFFFAOYSA-N	0	0	526.479	3.137	50	0		KGAARN
O=C(C1CCN(Cc2nc3ccccc3n2-c2cccc(Br)c2)CC1)N1CCN(CCO)CC1	ZINC000247802246	572244911	/nfs/dbraw/zinc/24/49/11/572244911.db2.gz	WLCCNDICVSPXFQ-UHFFFAOYSA-N	0	0	526.479	3.137	50	0		KGAARN
COC(=O)c1ccccc1N1C(=O)[C@H]2C(=C(C(=O)c3ccc(OC)cc3)N3N=Cc4ccccc4[C@@H]23)C1O	ZINC000247806842	572245278	/nfs/dbraw/zinc/24/52/78/572245278.db2.gz	AANUQHGLJCTRSU-FQUZAXHOSA-N	0	0	509.518	3.243	50	0		KGAARN
COC(=O)c1ccccc1N1C(=O)[C@H]2C(=C(C(=O)c3ccc(OC)cc3)N3N=Cc4ccccc4[C@@H]23)C1O	ZINC000247806845	572245440	/nfs/dbraw/zinc/24/54/40/572245440.db2.gz	AANUQHGLJCTRSU-NDBXHCKUSA-N	0	0	509.518	3.243	50	0		KGAARN
COc1ccc(S(=O)(=O)N[C@H](Cc2ccc(Cl)cc2)C(=O)N2CC[C@]3(O)CCCC[C@H]3C2)cc1	ZINC000247892988	572248719	/nfs/dbraw/zinc/24/87/19/572248719.db2.gz	BRLXVACIWXCCKZ-DNVKUUNQSA-N	0	0	507.052	3.392	50	0		KGAARN
COc1cccc([C@@H]2CN(S(=O)(=O)c3ccc(Cl)cc3)C[C@H]2C(=O)NCc2ccccn2)c1OC	ZINC000247913025	572249198	/nfs/dbraw/zinc/24/91/98/572249198.db2.gz	LJBZDHCZWPTDOX-FCHUYYIVSA-N	0	0	516.019	3.473	50	0		KGAARN
COc1cccc([C@H]2CN(S(=O)(=O)c3ccc(Cl)cc3)C[C@H]2C(=O)NCc2ccccn2)c1OC	ZINC000247913030	572249330	/nfs/dbraw/zinc/24/93/30/572249330.db2.gz	LJBZDHCZWPTDOX-FGZHOGPDSA-N	0	0	516.019	3.473	50	0		KGAARN
COc1cc2c(c3c1O[C@@H](c1ccc(O)c(OC)c1)[C@H]3CO)[C@H](c1ccc(O)c(OC)c1)[C@H](CO)[C@H](CO)C2	ZINC000247915610	572249237	/nfs/dbraw/zinc/24/92/37/572249237.db2.gz	BEMKEMOWLZXDHN-MHAOFPFJSA-N	0	0	538.593	3.238	50	0		KGAARN
COc1cc2c(c3c1O[C@@H](c1ccc(O)c(OC)c1)[C@H]3CO)[C@H](c1ccc(O)c(OC)c1)[C@@H](CO)[C@H](CO)C2	ZINC000247915616	572249347	/nfs/dbraw/zinc/24/93/47/572249347.db2.gz	BEMKEMOWLZXDHN-QHFGFRSKSA-N	0	0	538.593	3.238	50	0		KGAARN
COc1cc2c(c3c1O[C@@H](c1ccc(O)c(OC)c1)[C@H]3CO)[C@H](c1ccc(O)c(OC)c1)[C@@H](CO)[C@@H](CO)C2	ZINC000247915621	572249286	/nfs/dbraw/zinc/24/92/86/572249286.db2.gz	BEMKEMOWLZXDHN-TYNCXNJUSA-N	0	0	538.593	3.238	50	0		KGAARN
COc1cc2c(c3c1O[C@@H](c1ccc(O)c(OC)c1)[C@H]3CO)[C@H](c1ccc(O)c(OC)c1)[C@H](CO)[C@@H](CO)C2	ZINC000247915627	572249665	/nfs/dbraw/zinc/24/96/65/572249665.db2.gz	BEMKEMOWLZXDHN-YRULGEOJSA-N	0	0	538.593	3.238	50	0		KGAARN
COCCCNC(=O)[C@@H]1CN(S(=O)(=O)c2ccc(OC)cc2)C[C@H]1c1cccc(C(F)(F)F)c1	ZINC000247934020	572249895	/nfs/dbraw/zinc/24/98/95/572249895.db2.gz	UFXBLQOHKBDGBZ-LEWJYISDSA-N	0	0	500.539	3.271	50	0		KGAARN
COCCCNC(=O)[C@H]1CN(S(=O)(=O)c2ccc(OC)cc2)C[C@H]1c1cccc(C(F)(F)F)c1	ZINC000247934029	572249976	/nfs/dbraw/zinc/24/99/76/572249976.db2.gz	UFXBLQOHKBDGBZ-SFTDATJTSA-N	0	0	500.539	3.271	50	0		KGAARN
COc1ccc(CCN2C(=O)[C@@H]3[C@H]([C@H](O)c4ccc(Cl)cc4)N[C@@]4(C(=O)Nc5ccccc54)[C@H]3C2=O)cc1OC	ZINC000247940392	572249946	/nfs/dbraw/zinc/24/99/46/572249946.db2.gz	WTUMFIBVVMVIOG-KCIRMXFQSA-N	0	0	562.022	3.054	50	0		KGAARN
COc1ccc(CCN2C(=O)[C@@H]3[C@H](C2=O)[C@H]([C@H](O)c2ccc(Cl)cc2)N[C@@]32C(=O)Nc3ccccc32)cc1OC	ZINC000247940405	572249969	/nfs/dbraw/zinc/24/99/69/572249969.db2.gz	WTUMFIBVVMVIOG-MGBJKIBOSA-N	0	0	562.022	3.054	50	0		KGAARN
COc1ccc(CCN2C(=O)[C@@H]3[C@H](C2=O)[C@H]([C@H](O)c2ccc(Cl)cc2)N[C@]32C(=O)Nc3ccccc32)cc1OC	ZINC000247940418	572250024	/nfs/dbraw/zinc/25/00/24/572250024.db2.gz	WTUMFIBVVMVIOG-PTQMEMKESA-N	0	0	562.022	3.054	50	0		KGAARN
COc1ccc(CCN2C(=O)[C@@H]3[C@H]([C@H](O)c4ccc(Cl)cc4)N[C@]4(C(=O)Nc5ccccc54)[C@H]3C2=O)cc1OC	ZINC000247940431	572249856	/nfs/dbraw/zinc/24/98/56/572249856.db2.gz	WTUMFIBVVMVIOG-UWTOQXADSA-N	0	0	562.022	3.054	50	0		KGAARN
COc1ccc(C(=O)C2=C3C(O)N(c4ccc(C(N)=O)cc4)C(=O)[C@H]3[C@H]3c4ccccc4C=CN23)cc1OC	ZINC000247946767	572250332	/nfs/dbraw/zinc/25/03/32/572250332.db2.gz	ZYMWPZDACIINEO-POTDNYQPSA-N	0	0	523.545	3.201	50	0		KGAARN
COc1ccc(C(=O)C2=C3C(O)N(c4ccc(C(N)=O)cc4)C(=O)[C@H]3[C@@H]3c4ccccc4C=CN23)cc1OC	ZINC000247946769	572250355	/nfs/dbraw/zinc/25/03/55/572250355.db2.gz	ZYMWPZDACIINEO-XPGKHFPBSA-N	0	0	523.545	3.201	50	0		KGAARN
Cc1cc(C)n(CCNC(=O)[C@@H]2CCCN(c3cccc4c3C(=O)N([C@H]3CCOC(C)(C)C3)C4=O)C2)n1	ZINC000247949887	572250607	/nfs/dbraw/zinc/25/06/07/572250607.db2.gz	YCIKCFYQWGAAIC-RTWAWAEBSA-N	0	0	507.635	3.086	50	0		KGAARN
Cc1cc(C)n(CCNC(=O)[C@H]2CCCN(c3cccc4c3C(=O)N([C@H]3CCOC(C)(C)C3)C4=O)C2)n1	ZINC000247949890	572250599	/nfs/dbraw/zinc/25/05/99/572250599.db2.gz	YCIKCFYQWGAAIC-SFTDATJTSA-N	0	0	507.635	3.086	50	0		KGAARN
COc1ccccc1N1CCN2c3ccc(C(F)(F)F)cc3C[C@H](C(=O)N3CCN(C(C)=O)CC3)[C@@H]2C1	ZINC000247957529	572250547	/nfs/dbraw/zinc/25/05/47/572250547.db2.gz	UBFVDZHJRGETNP-URXFXBBRSA-N	0	0	516.564	3.272	50	0		KGAARN
C[C@H](CNC(=O)[C@@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O)NC(=O)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O	ZINC000247984704	572251502	/nfs/dbraw/zinc/25/15/02/572251502.db2.gz	IFHJNJXGRVZVHQ-GRRRMQDASA-N	0	0	628.685	3.422	50	0		KGAARN
CC(=O)N[C@H]1[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H](COC(C)=O)O[C@H]1Sc1nnc(COc2ccc(C)cc2)n1C1CCCC1	ZINC000248000827	572251976	/nfs/dbraw/zinc/25/19/76/572251976.db2.gz	DAXZWJMEKUNRCD-IDQMCBRQSA-N	0	0	618.709	3.029	50	0		KGAARN
CC(=O)N[C@@H]1[C@H](Sc2nnc(COc3ccc(C)cc3)n2C2CCCC2)O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O	ZINC000248000832	572251936	/nfs/dbraw/zinc/25/19/36/572251936.db2.gz	DAXZWJMEKUNRCD-OFGRGEMESA-N	0	0	618.709	3.029	50	0		KGAARN
CC(=O)N[C@@H]1[C@H](Sc2nnc(COc3ccc(C)cc3)n2C2CCCC2)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	ZINC000248000835	572251832	/nfs/dbraw/zinc/25/18/32/572251832.db2.gz	DAXZWJMEKUNRCD-RSGSHXSCSA-N	0	0	618.709	3.029	50	0		KGAARN
CC(=O)N[C@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](COC(C)=O)O[C@H]1Sc1nnc(COc2ccc(C)cc2)n1C1CCCC1	ZINC000248000840	572251795	/nfs/dbraw/zinc/25/17/95/572251795.db2.gz	DAXZWJMEKUNRCD-ZCHCROJCSA-N	0	0	618.709	3.029	50	0		KGAARN
CC(=O)N[C@H]1[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H](COC(C)=O)O[C@H]1Sc1nnc(COc2ccccc2C)n1C1CCCC1	ZINC000248022691	572252527	/nfs/dbraw/zinc/25/25/27/572252527.db2.gz	MTORMZIRSIPPMN-IDQMCBRQSA-N	0	0	618.709	3.029	50	0		KGAARN
CC(=O)N[C@@H]1[C@H](Sc2nnc(COc3ccccc3C)n2C2CCCC2)O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O	ZINC000248022693	572252618	/nfs/dbraw/zinc/25/26/18/572252618.db2.gz	MTORMZIRSIPPMN-OFGRGEMESA-N	0	0	618.709	3.029	50	0		KGAARN
CC(=O)N[C@@H]1[C@H](Sc2nnc(COc3ccccc3C)n2C2CCCC2)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	ZINC000248022695	572252535	/nfs/dbraw/zinc/25/25/35/572252535.db2.gz	MTORMZIRSIPPMN-RSGSHXSCSA-N	0	0	618.709	3.029	50	0		KGAARN
CC(=O)N[C@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](COC(C)=O)O[C@H]1Sc1nnc(COc2ccccc2C)n1C1CCCC1	ZINC000248022698	572252516	/nfs/dbraw/zinc/25/25/16/572252516.db2.gz	MTORMZIRSIPPMN-ZCHCROJCSA-N	0	0	618.709	3.029	50	0		KGAARN
CC(=O)N[C@H]1[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H](COC(C)=O)O[C@H]1Sc1nnc(COc2cccc(C)c2)n1C1CCCC1	ZINC000248031525	572252761	/nfs/dbraw/zinc/25/27/61/572252761.db2.gz	QQQQPUYNMIJWOA-IDQMCBRQSA-N	0	0	618.709	3.029	50	0		KGAARN
CC(=O)N[C@@H]1[C@H](Sc2nnc(COc3cccc(C)c3)n2C2CCCC2)O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O	ZINC000248031536	572252754	/nfs/dbraw/zinc/25/27/54/572252754.db2.gz	QQQQPUYNMIJWOA-OFGRGEMESA-N	0	0	618.709	3.029	50	0		KGAARN
CC(=O)N[C@@H]1[C@H](Sc2nnc(COc3cccc(C)c3)n2C2CCCC2)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	ZINC000248031543	572252759	/nfs/dbraw/zinc/25/27/59/572252759.db2.gz	QQQQPUYNMIJWOA-RSGSHXSCSA-N	0	0	618.709	3.029	50	0		KGAARN
CC(=O)N[C@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](COC(C)=O)O[C@H]1Sc1nnc(COc2cccc(C)c2)n1C1CCCC1	ZINC000248032597	572252859	/nfs/dbraw/zinc/25/28/59/572252859.db2.gz	QQQQPUYNMIJWOA-ZCHCROJCSA-N	0	0	618.709	3.029	50	0		KGAARN
CCOC(=O)[C@@H]1CCCN(S(=O)(=O)[C@H]2CON(C)[C@@H]2c2ccc(OC)c(OCc3ccccc3)c2)C1	ZINC000248053711	572253010	/nfs/dbraw/zinc/25/30/10/572253010.db2.gz	NTKPVIIWKJHFQN-IEZKXTBUSA-N	0	0	518.632	3.166	50	0		KGAARN
CCOC(=O)[C@@H]1CCCN(S(=O)(=O)[C@@H]2CON(C)[C@H]2c2ccc(OC)c(OCc3ccccc3)c2)C1	ZINC000248053713	572253011	/nfs/dbraw/zinc/25/30/11/572253011.db2.gz	NTKPVIIWKJHFQN-SDUSCBPUSA-N	0	0	518.632	3.166	50	0		KGAARN
CCOC(=O)[C@@H]1CCCN(S(=O)(=O)[C@H]2CON(C)[C@H]2c2ccc(OC)c(OCc3ccccc3)c2)C1	ZINC000248053715	572253007	/nfs/dbraw/zinc/25/30/07/572253007.db2.gz	NTKPVIIWKJHFQN-ZODMCCGTSA-N	0	0	518.632	3.166	50	0		KGAARN
COc1ccccc1N1CCN2c3ccc(C(F)(F)F)cc3C[C@H](C(=O)NCCN3CCOCC3)[C@H]2C1	ZINC000248113961	572253894	/nfs/dbraw/zinc/25/38/94/572253894.db2.gz	ACSYESFMPQEQDH-XUZZJYLKSA-N	0	0	518.580	3.030	50	0		KGAARN
COc1ccccc1N1CCN2c3ccc(C(F)(F)F)cc3C[C@@H](C(=O)NCCN3CCOCC3)[C@H]2C1	ZINC000248113965	572253935	/nfs/dbraw/zinc/25/39/35/572253935.db2.gz	ACSYESFMPQEQDH-ZJSXRUAMSA-N	0	0	518.580	3.030	50	0		KGAARN
COc1ccc(C(=O)C2=C3C(O)N(c4ccc5c(c4)OCCO5)C(=O)[C@H]3[C@H]3c4ccccc4C=NN23)cc1	ZINC000248122395	572254305	/nfs/dbraw/zinc/25/43/05/572254305.db2.gz	FPVBIUUXEHHGPU-POTDNYQPSA-N	0	0	509.518	3.228	50	0		KGAARN
COc1ccc(C(=O)C2=C3C(O)N(c4ccc5c(c4)OCCO5)C(=O)[C@H]3[C@@H]3c4ccccc4C=NN23)cc1	ZINC000248122396	572254282	/nfs/dbraw/zinc/25/42/82/572254282.db2.gz	FPVBIUUXEHHGPU-XPGKHFPBSA-N	0	0	509.518	3.228	50	0		KGAARN
COc1cccc(N2CCN3c4ccc(C(F)(F)F)cc4C[C@@H](C(=O)NCCN4CCOCC4)[C@H]3C2)c1	ZINC000248122483	572254309	/nfs/dbraw/zinc/25/43/09/572254309.db2.gz	FZBFMHMITOBQOS-ILBGXUMGSA-N	0	0	518.580	3.030	50	0		KGAARN
COc1cccc(N2CCN3c4ccc(C(F)(F)F)cc4C[C@H](C(=O)NCCN4CCOCC4)[C@H]3C2)c1	ZINC000248122485	572254222	/nfs/dbraw/zinc/25/42/22/572254222.db2.gz	FZBFMHMITOBQOS-UKILVPOCSA-N	0	0	518.580	3.030	50	0		KGAARN
COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CN1CC[C@]2(O)CCCC[C@H]2[C@@H]1c1ccc(O)c(OC)c1	ZINC000248126508	560036419	/nfs/dbraw/zinc/03/64/19/560036419.db2.gz	GTSHSTJFTSYFBU-DDPIJVRDSA-N	0	0	535.641	3.451	50	0	biogenic,in-vitro	KGAARN
COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CN1CC[C@]2(O)CCCC[C@@H]2[C@@H]1c1ccc(O)c(OC)c1	ZINC000248127183	560036399	/nfs/dbraw/zinc/03/63/99/560036399.db2.gz	GTSHSTJFTSYFBU-KKGYKCSESA-N	0	0	535.641	3.451	50	0	biogenic,in-vitro	KGAARN
COc1ccc(OC)c(NC(=O)[C@@H]2[C@@H]3C(=O)N(c4ccc5c(c4)OCO5)C(=O)[C@H]3[C@H]3C=Cc4ccccc4N32)c1	ZINC000248137575	572255106	/nfs/dbraw/zinc/25/51/06/572255106.db2.gz	OUVMHTRJLYGUCD-DXXVALNZSA-N	0	0	539.544	3.461	50	0		KGAARN
COc1ccc(OC)c(NC(=O)[C@@H]2[C@@H]3C(=O)N(c4ccc5c(c4)OCO5)C(=O)[C@H]3[C@@H]3C=Cc4ccccc4N32)c1	ZINC000248137577	572255048	/nfs/dbraw/zinc/25/50/48/572255048.db2.gz	OUVMHTRJLYGUCD-VPIUVCPKSA-N	0	0	539.544	3.461	50	0		KGAARN
COc1ccccc1N1C(=O)[C@H]2[C@@H](C1=O)[C@H](c1ccco1)N1[C@@H]3C(=O)N(c4ccccc4OC)C(=O)[C@H]3[C@@H](c3ccco3)N21	ZINC000248141487	572255210	/nfs/dbraw/zinc/25/52/10/572255210.db2.gz	PYQSMNSSVLWBTE-ACWZPJHASA-N	0	0	594.580	3.335	50	0		KGAARN
COc1ccccc1N1C(=O)[C@H]2[C@@H](C1=O)[C@@H](c1ccco1)N1[C@H]3C(=O)N(c4ccccc4OC)C(=O)[C@H]3[C@@H](c3ccco3)N21	ZINC000248141490	572255228	/nfs/dbraw/zinc/25/52/28/572255228.db2.gz	PYQSMNSSVLWBTE-BQXGFVACSA-N	0	0	594.580	3.335	50	0		KGAARN
COc1ccccc1N1C(=O)[C@H]2[C@@H](C1=O)[C@H](c1ccco1)N1[C@H]3C(=O)N(c4ccccc4OC)C(=O)[C@H]3[C@@H](c3ccco3)N21	ZINC000248141492	572255277	/nfs/dbraw/zinc/25/52/77/572255277.db2.gz	PYQSMNSSVLWBTE-SCUYQTRWSA-N	0	0	594.580	3.335	50	0		KGAARN
COc1ccccc1N1C(=O)[C@H]2[C@@H](C1=O)[C@@H](c1ccco1)N1[C@@H]3C(=O)N(c4ccccc4OC)C(=O)[C@H]3[C@@H](c3ccco3)N21	ZINC000248141495	572255268	/nfs/dbraw/zinc/25/52/68/572255268.db2.gz	PYQSMNSSVLWBTE-WBKISLEQSA-N	0	0	594.580	3.335	50	0		KGAARN
COc1ccc(C(=O)C2=C3C(O)N(c4cc(OC)ccc4OC)C(=O)[C@H]3[C@H]3c4ccccc4C=NN23)cc1	ZINC000248141696	572255250	/nfs/dbraw/zinc/25/52/50/572255250.db2.gz	QKHAKCBSXYIUTO-POTDNYQPSA-N	0	0	511.534	3.474	50	0		KGAARN
COc1ccc(C(=O)C2=C3C(O)N(c4cc(OC)ccc4OC)C(=O)[C@@H]3[C@@H]3c4ccccc4C=NN23)cc1	ZINC000248141700	572255239	/nfs/dbraw/zinc/25/52/39/572255239.db2.gz	QKHAKCBSXYIUTO-QYOOZWMWSA-N	0	0	511.534	3.474	50	0		KGAARN
COc1ccc(C(=O)C2=C3C(O)N(c4cc(OC)ccc4OC)C(=O)[C@H]3[C@@H]3c4ccccc4C=NN23)cc1	ZINC000248141705	572255284	/nfs/dbraw/zinc/25/52/84/572255284.db2.gz	QKHAKCBSXYIUTO-XPGKHFPBSA-N	0	0	511.534	3.474	50	0		KGAARN
COc1ccc(N2C(=O)[C@@H]3[C@H](CC(=O)[O-])[NH2+][C@]4(c5ccccc5N(Cc5ccccc5Cl)C4=O)[C@H]3C2=O)cc1	ZINC000248148619	572255656	/nfs/dbraw/zinc/25/56/56/572255656.db2.gz	UWGGBQRXBXVNRS-FZYNUTEISA-N	0	0	545.979	3.343	50	0		KGAARN
COc1ccc(N2C(=O)[C@@H]3[C@H](CC(=O)[O-])[NH2+][C@@]4(c5ccccc5N(Cc5ccccc5Cl)C4=O)[C@H]3C2=O)cc1	ZINC000248148623	572255666	/nfs/dbraw/zinc/25/56/66/572255666.db2.gz	UWGGBQRXBXVNRS-LGZHOBANSA-N	0	0	545.979	3.343	50	0		KGAARN
CCCCCn1c(COc2ccc(C)cc2)nnc1S[C@@H]1O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1NC(C)=O	ZINC000248249057	572257163	/nfs/dbraw/zinc/25/71/63/572257163.db2.gz	IDHMNZSPRJRTPO-IDQMCBRQSA-N	0	0	620.725	3.104	50	0		KGAARN
CCCCCn1c(COc2ccc(C)cc2)nnc1S[C@@H]1O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1NC(C)=O	ZINC000248249062	572257194	/nfs/dbraw/zinc/25/71/94/572257194.db2.gz	IDHMNZSPRJRTPO-IPTPSVHJSA-N	0	0	620.725	3.104	50	0		KGAARN
CCCCCn1c(COc2ccc(C)cc2)nnc1S[C@@H]1O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1NC(C)=O	ZINC000248249066	572257085	/nfs/dbraw/zinc/25/70/85/572257085.db2.gz	IDHMNZSPRJRTPO-NWWWPDLMSA-N	0	0	620.725	3.104	50	0		KGAARN
CCCCCn1c(COc2ccc(C)cc2)nnc1S[C@@H]1O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1NC(C)=O	ZINC000248249069	572257094	/nfs/dbraw/zinc/25/70/94/572257094.db2.gz	IDHMNZSPRJRTPO-OFGRGEMESA-N	0	0	620.725	3.104	50	0		KGAARN
CCCCCn1c(COc2cccc(C)c2)nnc1S[C@@H]1O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1NC(C)=O	ZINC000248253451	572257264	/nfs/dbraw/zinc/25/72/64/572257264.db2.gz	JWCGRMXRLGISSZ-IDQMCBRQSA-N	0	0	620.725	3.104	50	0		KGAARN
CCCCCn1c(COc2cccc(C)c2)nnc1S[C@@H]1O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1NC(C)=O	ZINC000248253452	572257271	/nfs/dbraw/zinc/25/72/71/572257271.db2.gz	JWCGRMXRLGISSZ-IPTPSVHJSA-N	0	0	620.725	3.104	50	0		KGAARN
CCCCCn1c(COc2cccc(C)c2)nnc1S[C@@H]1O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1NC(C)=O	ZINC000248253453	572257231	/nfs/dbraw/zinc/25/72/31/572257231.db2.gz	JWCGRMXRLGISSZ-NWWWPDLMSA-N	0	0	620.725	3.104	50	0		KGAARN
CCCCCn1c(COc2cccc(C)c2)nnc1S[C@@H]1O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1NC(C)=O	ZINC000248253454	572257293	/nfs/dbraw/zinc/25/72/93/572257293.db2.gz	JWCGRMXRLGISSZ-OFGRGEMESA-N	0	0	620.725	3.104	50	0		KGAARN
CCCCCn1c(COc2ccccc2C)nnc1S[C@@H]1O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1NC(C)=O	ZINC000248255994	572257303	/nfs/dbraw/zinc/25/73/03/572257303.db2.gz	KSTCYVLCPQMALH-IDQMCBRQSA-N	0	0	620.725	3.104	50	0		KGAARN
CCCCCn1c(COc2ccccc2C)nnc1S[C@@H]1O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1NC(C)=O	ZINC000248255999	572257263	/nfs/dbraw/zinc/25/72/63/572257263.db2.gz	KSTCYVLCPQMALH-IPTPSVHJSA-N	0	0	620.725	3.104	50	0		KGAARN
CCCCCn1c(COc2ccccc2C)nnc1S[C@@H]1O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1NC(C)=O	ZINC000248256003	572257269	/nfs/dbraw/zinc/25/72/69/572257269.db2.gz	KSTCYVLCPQMALH-NWWWPDLMSA-N	0	0	620.725	3.104	50	0		KGAARN
CCCCCn1c(COc2ccccc2C)nnc1S[C@@H]1O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1NC(C)=O	ZINC000248256007	572257256	/nfs/dbraw/zinc/25/72/56/572257256.db2.gz	KSTCYVLCPQMALH-OFGRGEMESA-N	0	0	620.725	3.104	50	0		KGAARN
CCOC(=O)[C@@H]1[C@H](c2ccc(OC)cc2)[C@@]2(C(=O)NC(=O)N(Cc3ccccc3)C2=O)[C@H]2c3ccccc3C=NN21	ZINC000248266597	572257617	/nfs/dbraw/zinc/25/76/17/572257617.db2.gz	ZOEQKGZZYIVJKO-PDTFHCFTSA-N	0	0	552.587	3.380	50	0		KGAARN
CCOC(=O)[C@@H]1[C@H](c2ccc(OC)cc2)[C@@]2(C(=O)NC(=O)N(Cc3ccccc3)C2=O)[C@@H]2c3ccccc3C=NN12	ZINC000248266603	572257605	/nfs/dbraw/zinc/25/76/05/572257605.db2.gz	ZOEQKGZZYIVJKO-VIYORZMQSA-N	0	0	552.587	3.380	50	0		KGAARN
CCOC(=O)[C@@H]1[C@H](c2ccc(OC)cc2)[C@]2(C(=O)NC(=O)N(Cc3ccccc3)C2=O)[C@@H]2c3ccccc3C=NN12	ZINC000248266610	572257592	/nfs/dbraw/zinc/25/75/92/572257592.db2.gz	ZOEQKGZZYIVJKO-WJQRCLFPSA-N	0	0	552.587	3.380	50	0		KGAARN
CN1O[C@@H]2C(=O)N(CCNc3ncc(C(F)(F)F)cc3Cl)C(=O)[C@H]2[C@@H]1c1coc2ccccc2c1=O	ZINC000250556223	572259122	/nfs/dbraw/zinc/25/91/22/572259122.db2.gz	BEXYXJIGSNKGHN-LNLFQRSKSA-N	0	0	522.867	3.244	50	0		KGAARN
CC(=O)OC[C@@H]1O[C@H](OC(=O)Cc2ccccc2)[C@H](NC(=O)c2ccc(OCc3ccccc3)cc2)[C@@H](OC(C)=O)[C@H]1OC(C)=O	ZINC000250754391	1059549825	/nfs/dbraw/zinc/54/98/25/1059549825.db2.gz	IGGWFPXBYOKOBE-QQOYGBHQSA-N	0	0	633.650	3.301	50	0		KGAARN
CC(=O)OC[C@@H]1O[C@H](OC(=O)Cc2ccccc2)[C@H](NC(=O)c2ccc(OCc3ccccc3)cc2)[C@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000250754400	1059549777	/nfs/dbraw/zinc/54/97/77/1059549777.db2.gz	IGGWFPXBYOKOBE-RGLXSTQJSA-N	0	0	633.650	3.301	50	0		KGAARN
CC(=O)OC[C@@H]1O[C@H](OC(=O)Cc2ccccc2)[C@H](NC(=O)c2ccc(OCc3ccccc3)cc2)[C@H](OC(C)=O)[C@H]1OC(C)=O	ZINC000250754406	1059549843	/nfs/dbraw/zinc/54/98/43/1059549843.db2.gz	IGGWFPXBYOKOBE-RPRUOPEWSA-N	0	0	633.650	3.301	50	0		KGAARN
CC(=O)OC[C@@H]1O[C@H](OC(=O)Cc2ccccc2)[C@H](NC(=O)c2ccc(OCc3ccccc3)cc2)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000250754413	1059549807	/nfs/dbraw/zinc/54/98/07/1059549807.db2.gz	IGGWFPXBYOKOBE-SDGQUOILSA-N	0	0	633.650	3.301	50	0		KGAARN
COc1ccccc1N1CCN(S(=O)(=O)c2c(C)sc3ncn(CC(=O)N[C@@H]4CCC[C@H](C)[C@H]4C)c(=O)c32)CC1	ZINC000250886356	572259246	/nfs/dbraw/zinc/25/92/46/572259246.db2.gz	BNWWNJOUZMXGGH-QKNQBKEWSA-N	0	0	587.768	3.227	50	0		KGAARN
COc1ccccc1N1CCN(S(=O)(=O)c2c(C)sc3ncn(CC(=O)N[C@@H]4CCC[C@@H](C)[C@H]4C)c(=O)c32)CC1	ZINC000250886359	572259298	/nfs/dbraw/zinc/25/92/98/572259298.db2.gz	BNWWNJOUZMXGGH-SFHLNBCPSA-N	0	0	587.768	3.227	50	0		KGAARN
Cc1sc2ncn(CC(=O)N[C@@H]3CCC[C@H](C)[C@H]3C)c(=O)c2c1S(=O)(=O)N1C[C@H](C)C[C@H](C)C1	ZINC000250961618	572259325	/nfs/dbraw/zinc/25/93/25/572259325.db2.gz	ZQYIYROGKDLTEP-HTBDUDNFSA-N	0	0	508.710	3.374	50	0		KGAARN
CC[C@H](C)[C@H](NC(=O)[C@@H](CC(=O)OCc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N[C@H](Cc1ccccc1)C(=O)OC	ZINC000251738623	572259566	/nfs/dbraw/zinc/25/95/66/572259566.db2.gz	GBJLPVNMWGIESU-BAGOZOHOSA-N	0	0	597.709	3.445	50	0		KGAARN
CC[C@H](C)[C@H](NC(=O)[C@H](CC(=O)OCc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)OC	ZINC000251738626	572259518	/nfs/dbraw/zinc/25/95/18/572259518.db2.gz	GBJLPVNMWGIESU-DJESZUOASA-N	0	0	597.709	3.445	50	0		KGAARN
CC[C@@H]1[NH2+][C@@]2(c3ccccc3N(CC(=O)N3CCc4ccccc43)C2=O)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]12	ZINC000252139608	572259953	/nfs/dbraw/zinc/25/99/53/572259953.db2.gz	GDCCEAZLXYOVIS-YPAMBENBSA-N	0	0	520.589	3.005	50	0		KGAARN
CC(=O)O[C@@H](C(=O)Nc1ccccc1Cl)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)C(=O)Nc1ccccc1Cl	ZINC000252346775	572260111	/nfs/dbraw/zinc/26/01/11/572260111.db2.gz	BLRLNZSXWVWNBW-NVPYSNMXSA-N	0	0	597.404	3.297	50	0		KGAARN
CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@H](Cc1ccccc1)C(N)=O	ZINC000252426616	572260337	/nfs/dbraw/zinc/26/03/37/572260337.db2.gz	GDYPYMRZUSWASH-ZNZIZOMTSA-N	0	0	563.699	3.347	50	0		KGAARN
CC[C@H](C)[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@H](Cc1ccccc1)C(N)=O	ZINC000252438267	572260868	/nfs/dbraw/zinc/26/08/68/572260868.db2.gz	PBDZXMIYRDSKEI-JYVYKJRCSA-N	0	0	563.699	3.347	50	0		KGAARN
CC[C@H](C)[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@H](Cc1ccccc1)C(N)=O	ZINC000252438268	572260848	/nfs/dbraw/zinc/26/08/48/572260848.db2.gz	PBDZXMIYRDSKEI-PGTVGAIHSA-N	0	0	563.699	3.347	50	0		KGAARN
CC[C@H](C)[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O	ZINC000252438269	572260827	/nfs/dbraw/zinc/26/08/27/572260827.db2.gz	PBDZXMIYRDSKEI-UBLBMGLWSA-N	0	0	563.699	3.347	50	0		KGAARN
COc1ccc([C@@H]2[NH2+][C@](Cc3ccccc3)(C(=O)[O-])[C@H]3C(=O)N(c4ccccc4OC)C(=O)[C@@H]23)cc1OC	ZINC000252453087	572261230	/nfs/dbraw/zinc/26/12/30/572261230.db2.gz	YLZHNWZPEKICOR-ANARSLNQSA-N	0	0	516.550	3.229	50	0		KGAARN
COc1ccc([C@@H]2[NH2+][C@](Cc3ccccc3)(C(=O)[O-])[C@@H]3C(=O)N(c4ccccc4OC)C(=O)[C@H]23)cc1OC	ZINC000252453088	572261192	/nfs/dbraw/zinc/26/11/92/572261192.db2.gz	YLZHNWZPEKICOR-MGQBIDJDSA-N	0	0	516.550	3.229	50	0		KGAARN
O=C(N[C@H]1CC[C@H](NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Br)cc2)CC1)c1ccccc1	ZINC000252467308	572261365	/nfs/dbraw/zinc/26/13/65/572261365.db2.gz	BSTIMQFJAGTCLG-ONTIZHBOSA-N	0	0	534.476	3.460	50	0		KGAARN
COc1ccc(C(=O)N(Cc2ccccc2)[C@H]2CC[C@H](NC(=O)C3CCN(S(C)(=O)=O)CC3)CC2)cc1	ZINC000252467486	572261457	/nfs/dbraw/zinc/26/14/57/572261457.db2.gz	OFBJNGVSBDOVCU-SOAUALDESA-N	0	0	527.687	3.437	50	0		KGAARN
O=C(CN1CCN(CCN2C(=O)c3cccc4cccc(c43)C2=O)CC1)NCc1ccccc1OC(F)(F)F	ZINC000252492909	572261735	/nfs/dbraw/zinc/26/17/35/572261735.db2.gz	MXHBVJDOZFZHKB-UHFFFAOYSA-N	0	0	540.542	3.268	50	0		KGAARN
O=C(CN1CCN(CCN2C(=O)c3cccc4cccc(c43)C2=O)CC1)NC12CC3CC(CC(C3)C1)C2	ZINC000252497571	572261886	/nfs/dbraw/zinc/26/18/86/572261886.db2.gz	QKJBQKQFQFPTQR-UHFFFAOYSA-N	0	0	500.643	3.138	50	0		KGAARN
O=C(CN1CCN(CCN2C(=O)c3cccc4cccc(c43)C2=O)CC1)NCc1ccc(OC(F)(F)F)cc1	ZINC000252498142	572261876	/nfs/dbraw/zinc/26/18/76/572261876.db2.gz	QUZLERGBIXXWDI-UHFFFAOYSA-N	0	0	540.542	3.268	50	0		KGAARN
CO[C@@H]1[C@@H](O)[C@H](O[C@H]2CC[C@@]3(C)[C@H](CC[C@@]45O[C@@]46CC=C(C4=CC(=O)OC4)[C@@]6(C)CC[C@@H]53)C2)O[C@H](C)[C@@H]1O	ZINC000252503470	572261898	/nfs/dbraw/zinc/26/18/98/572261898.db2.gz	VCVUOYGJEFVXDV-YBQUAYIVSA-N	0	0	530.658	3.191	50	0		KGAARN
CC1(C)Cc2cccc(OCC(=O)N3CCN(CCN4C(=O)c5cccc6cccc(c65)C4=O)CC3)c2O1	ZINC000252509283	572261928	/nfs/dbraw/zinc/26/19/28/572261928.db2.gz	YJIOEBROFCVMQX-UHFFFAOYSA-N	0	0	513.594	3.373	50	0		KGAARN
CC1(C)Cc2c(c(C(F)(F)F)nn2-c2ccc(C(N)=O)c(N[C@H]3CC[C@H](OC(=O)CN)CC3)c2)C(=O)C1	ZINC000252517142	562881733	/nfs/dbraw/zinc/88/17/33/562881733.db2.gz	AVDSOVJPJZVBTC-CTYIDZIISA-N	0	0	521.540	3.370	50	0	investigational	KGAARN
COCCNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1Cc2c3ccccc3[nH]c2[C@@H]2c3ccccc3C(=O)N21	ZINC000252518122	572262392	/nfs/dbraw/zinc/26/23/92/572262392.db2.gz	ABHBZGBIYXUPCY-REUBFRLUSA-N	0	0	522.605	3.128	50	0		KGAARN
COc1cc2c(c(OC)c1OC)-c1ccc(NCC(=O)Nc3nc(C)c(C)s3)c(=O)cc1[C@H](NC(C)=O)CC2	ZINC000252518192	572262334	/nfs/dbraw/zinc/26/23/34/572262334.db2.gz	AHABSBHGYDQTAX-HXUWFJFHSA-N	0	0	552.653	3.987	50	0		KGAARN
COc1cc2c(c(OC)c1OC)-c1ccc(NCC(=O)NCc3nc4ccccc4[nH]3)c(=O)cc1[C@H](NC(C)=O)CC2	ZINC000252519028	572262310	/nfs/dbraw/zinc/26/23/10/572262310.db2.gz	ASOYTTYGBOPPMB-OAQYLSRUSA-N	0	0	571.634	3.468	50	0		KGAARN
COc1cc2c(c(OC)c1OC)-c1ccc(NCCCC(=O)NC[C@H]3CCCO3)c(=O)cc1[C@H](NC(C)=O)CC2	ZINC000252519043	572262367	/nfs/dbraw/zinc/26/23/67/572262367.db2.gz	AUYNZXPWKCAQKI-NFBKMPQASA-N	0	0	553.656	3.350	50	0		KGAARN
COc1cc2c(c(OC)c1OC)-c1ccc(NCCCC(=O)NC[C@@H]3CCCO3)c(=O)cc1[C@H](NC(C)=O)CC2	ZINC000252519044	572262317	/nfs/dbraw/zinc/26/23/17/572262317.db2.gz	AUYNZXPWKCAQKI-NZQKXSOJSA-N	0	0	553.656	3.350	50	0		KGAARN
COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](C)C(=O)N3CCSCC3)c(=O)cc1[C@H](NC(C)=O)CC2	ZINC000252523215	572262363	/nfs/dbraw/zinc/26/23/63/572262363.db2.gz	CBSNWSZXPZWJIL-HRAATJIYSA-N	0	0	541.670	3.239	50	0		KGAARN
COc1cc2c(c(OC)c1OC)-c1ccc(N[C@H](C)C(=O)N3CCSCC3)c(=O)cc1[C@@H](NC(C)=O)CC2	ZINC000252523216	572262382	/nfs/dbraw/zinc/26/23/82/572262382.db2.gz	CBSNWSZXPZWJIL-IERDGZPVSA-N	0	0	541.670	3.239	50	0		KGAARN
COc1cc2c(c(OC)c1OC)-c1ccc(N[C@H](C)C(=O)N3CCSCC3)c(=O)cc1[C@H](NC(C)=O)CC2	ZINC000252523217	572262383	/nfs/dbraw/zinc/26/23/83/572262383.db2.gz	CBSNWSZXPZWJIL-IIBYNOLFSA-N	0	0	541.670	3.239	50	0		KGAARN
COc1cc2c(c(OC)c1OC)-c1ccc(NCC(=O)Nc3nc4c(s3)CCC4)c(=O)cc1[C@H](NC(C)=O)CC2	ZINC000252523318	572262532	/nfs/dbraw/zinc/26/25/32/572262532.db2.gz	CICDJOHIULXDOW-LJQANCHMSA-N	0	0	564.664	3.859	50	0		KGAARN
COc1cc2c(c(OC)c1OC)-c1ccc(N[C@H](CC(C)C)C(=O)Nc3nc[nH]n3)c(=O)cc1[C@H](NC(C)=O)CC2	ZINC000252527590	572262522	/nfs/dbraw/zinc/26/25/22/572262522.db2.gz	CYUOAMDWHMGVBT-IFMALSPDSA-N	0	0	564.643	3.446	50	0		KGAARN
COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](CC(C)C)C(=O)Nc3nc[nH]n3)c(=O)cc1[C@H](NC(C)=O)CC2	ZINC000252527591	572262472	/nfs/dbraw/zinc/26/24/72/572262472.db2.gz	CYUOAMDWHMGVBT-IRLDBZIGSA-N	0	0	564.643	3.446	50	0		KGAARN
COc1cc2c(c(OC)c1OC)-c1ccc(N[C@H](CC(C)C)C(=O)Nc3nc[nH]n3)c(=O)cc1[C@@H](NC(C)=O)CC2	ZINC000252527592	572262462	/nfs/dbraw/zinc/26/24/62/572262462.db2.gz	CYUOAMDWHMGVBT-RBBKRZOGSA-N	0	0	564.643	3.446	50	0		KGAARN
COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](C)C(=O)NCC(C)C)c(=O)cc1[C@H](NC(C)=O)CC2	ZINC000252528025	572262676	/nfs/dbraw/zinc/26/26/76/572262676.db2.gz	DYKSDCABMLTVBX-HRAATJIYSA-N	0	0	511.619	3.436	50	0		KGAARN
COc1cc2c(c(OC)c1OC)-c1ccc(N[C@H](C)C(=O)NCC(C)C)c(=O)cc1[C@@H](NC(C)=O)CC2	ZINC000252528026	572262655	/nfs/dbraw/zinc/26/26/55/572262655.db2.gz	DYKSDCABMLTVBX-IERDGZPVSA-N	0	0	511.619	3.436	50	0		KGAARN
COc1cc2c(c(OC)c1OC)-c1ccc(N[C@H](C)C(=O)NCC(C)C)c(=O)cc1[C@H](NC(C)=O)CC2	ZINC000252528027	572262652	/nfs/dbraw/zinc/26/26/52/572262652.db2.gz	DYKSDCABMLTVBX-IIBYNOLFSA-N	0	0	511.619	3.436	50	0		KGAARN
CCOC(=O)c1csc(NC(=O)[C@@H](C)Nc2ccc3c(cc2=O)[C@H](NC(C)=O)CCc2cc(OC)c(OC)c(OC)c2-3)n1	ZINC000252533156	572262657	/nfs/dbraw/zinc/26/26/57/572262657.db2.gz	GABTZFJQBDELKX-FOIQADDNSA-N	0	0	610.689	3.935	50	0		KGAARN
CCOC(=O)c1csc(NC(=O)[C@H](C)Nc2ccc3c(cc2=O)[C@H](NC(C)=O)CCc2cc(OC)c(OC)c(OC)c2-3)n1	ZINC000252533157	572262641	/nfs/dbraw/zinc/26/26/41/572262641.db2.gz	GABTZFJQBDELKX-MGPUTAFESA-N	0	0	610.689	3.935	50	0		KGAARN
CCOC(=O)c1csc(NC(=O)[C@@H](C)Nc2ccc3c(cc2=O)[C@@H](NC(C)=O)CCc2cc(OC)c(OC)c(OC)c2-3)n1	ZINC000252533158	572262644	/nfs/dbraw/zinc/26/26/44/572262644.db2.gz	GABTZFJQBDELKX-QRWLVFNGSA-N	0	0	610.689	3.935	50	0		KGAARN
COCc1nnc(NC(=O)[C@H](Nc2ccc3c(cc2=O)[C@H](NC(C)=O)CCc2cc(OC)c(OC)c(OC)c2-3)C(C)C)s1	ZINC000252535956	572262680	/nfs/dbraw/zinc/26/26/80/572262680.db2.gz	HHSOSLBNTSTUPQ-FQRUVTKNSA-N	0	0	611.721	3.936	50	0		KGAARN
COCc1nnc(NC(=O)[C@@H](Nc2ccc3c(cc2=O)[C@H](NC(C)=O)CCc2cc(OC)c(OC)c(OC)c2-3)C(C)C)s1	ZINC000252535957	572262693	/nfs/dbraw/zinc/26/26/93/572262693.db2.gz	HHSOSLBNTSTUPQ-IBVKSMDESA-N	0	0	611.721	3.936	50	0		KGAARN
COCc1nnc(NC(=O)[C@H](Nc2ccc3c(cc2=O)[C@@H](NC(C)=O)CCc2cc(OC)c(OC)c(OC)c2-3)C(C)C)s1	ZINC000252535958	572262638	/nfs/dbraw/zinc/26/26/38/572262638.db2.gz	HHSOSLBNTSTUPQ-RXFWQSSRSA-N	0	0	611.721	3.936	50	0		KGAARN
COc1cc2c(c(OC)c1OC)-c1ccc(N[C@H](C)C(=O)N3CCN(C(=O)c4ccco4)CC3)c(=O)cc1[C@@H](NC(C)=O)CC2	ZINC000252535983	572262668	/nfs/dbraw/zinc/26/26/68/572262668.db2.gz	HJUVRYFAEGTPRS-DVECYGJZSA-N	0	0	618.687	3.241	50	0		KGAARN
COc1cc2c(c(OC)c1OC)-c1ccc(N[C@H](C)C(=O)N3CCN(C(=O)c4ccco4)CC3)c(=O)cc1[C@H](NC(C)=O)CC2	ZINC000252535984	572262782	/nfs/dbraw/zinc/26/27/82/572262782.db2.gz	HJUVRYFAEGTPRS-NTKDMRAZSA-N	0	0	618.687	3.241	50	0		KGAARN
COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](C)C(=O)N3CCN(C(=O)c4ccco4)CC3)c(=O)cc1[C@H](NC(C)=O)CC2	ZINC000252535985	572262774	/nfs/dbraw/zinc/26/27/74/572262774.db2.gz	HJUVRYFAEGTPRS-YADARESESA-N	0	0	618.687	3.241	50	0		KGAARN
COc1cc2c(c(OC)c1OC)-c1ccc(NCCCC(=O)NCc3ccc(S(N)(=O)=O)cc3)c(=O)cc1[C@H](NC(C)=O)CC2	ZINC000252536216	572262777	/nfs/dbraw/zinc/26/27/77/572262777.db2.gz	HWOWHTYRAWTQRR-RUZDIDTESA-N	0	0	638.743	3.019	50	0		KGAARN
COC(=O)c1nc(NC(=O)[C@@H](C)Nc2ccc3c(cc2=O)[C@H](NC(C)=O)CCc2cc(OC)c(OC)c(OC)c2-3)sc1C	ZINC000252537581	572262894	/nfs/dbraw/zinc/26/28/94/572262894.db2.gz	LQYHKTLSOCYXPC-JLTOFOAXSA-N	0	0	610.689	3.854	50	0		KGAARN
COC(=O)c1nc(NC(=O)[C@H](C)Nc2ccc3c(cc2=O)[C@H](NC(C)=O)CCc2cc(OC)c(OC)c(OC)c2-3)sc1C	ZINC000252537582	572262908	/nfs/dbraw/zinc/26/29/08/572262908.db2.gz	LQYHKTLSOCYXPC-VBKZILBWSA-N	0	0	610.689	3.854	50	0		KGAARN
COC(=O)c1nc(NC(=O)[C@@H](C)Nc2ccc3c(cc2=O)[C@@H](NC(C)=O)CCc2cc(OC)c(OC)c(OC)c2-3)sc1C	ZINC000252537583	572262855	/nfs/dbraw/zinc/26/28/55/572262855.db2.gz	LQYHKTLSOCYXPC-VLIAUNLRSA-N	0	0	610.689	3.854	50	0		KGAARN
CCOC(=O)Cc1csc(NC(=O)[C@H](C)Nc2ccc3c(cc2=O)[C@H](NC(C)=O)CCc2cc(OC)c(OC)c(OC)c2-3)n1	ZINC000252539622	572263112	/nfs/dbraw/zinc/26/31/12/572263112.db2.gz	OESIRDLLFFLKKA-KSFYIVLOSA-N	0	0	624.716	3.864	50	0		KGAARN
CCOC(=O)Cc1csc(NC(=O)[C@@H](C)Nc2ccc3c(cc2=O)[C@H](NC(C)=O)CCc2cc(OC)c(OC)c(OC)c2-3)n1	ZINC000252539623	572263074	/nfs/dbraw/zinc/26/30/74/572263074.db2.gz	OESIRDLLFFLKKA-OPAMFIHVSA-N	0	0	624.716	3.864	50	0		KGAARN
CCOC(=O)Cc1csc(NC(=O)[C@@H](C)Nc2ccc3c(cc2=O)[C@@H](NC(C)=O)CCc2cc(OC)c(OC)c(OC)c2-3)n1	ZINC000252539624	572263073	/nfs/dbraw/zinc/26/30/73/572263073.db2.gz	OESIRDLLFFLKKA-ZHRRBRCNSA-N	0	0	624.716	3.864	50	0		KGAARN
COc1cc2c(c(OC)c1OC)-c1ccc(NCC(=O)NCCC(C)C)c(=O)cc1[C@H](NC(C)=O)CC2	ZINC000252549075	572263202	/nfs/dbraw/zinc/26/32/02/572263202.db2.gz	QSAPNUVFLUBPEL-OAQYLSRUSA-N	0	0	511.619	3.437	50	0		KGAARN
COc1cc2c(c(OC)c1OC)-c1ccc(NCC(=O)NCc3ccc4c(c3)OCO4)c(=O)cc1[C@H](NC(C)=O)CC2	ZINC000252549621	572263288	/nfs/dbraw/zinc/26/32/88/572263288.db2.gz	RKTPZVXRHBDSHN-JOCHJYFZSA-N	0	0	575.618	3.320	50	0		KGAARN
COc1cc2c(c(OC)c1OC)-c1ccc(NCC(=O)Nc3nc(C)cs3)c(=O)cc1[C@H](NC(C)=O)CC2	ZINC000252550128	572263362	/nfs/dbraw/zinc/26/33/62/572263362.db2.gz	SACPWOWKQDUMLL-LJQANCHMSA-N	0	0	538.626	3.679	50	0		KGAARN
COc1cc2c(c(OC)c1OC)-c1ccc(NCC(=O)NC3CCCC3)c(=O)cc1[C@H](NC(C)=O)CC2	ZINC000252550204	572263316	/nfs/dbraw/zinc/26/33/16/572263316.db2.gz	SHBRFILAGHXRTJ-OAQYLSRUSA-N	0	0	509.603	3.334	50	0		KGAARN
COc1cc2c(c(OC)c1OC)-c1ccc(N[C@H](C(=O)NCCc3c[nH]cn3)C(C)C)c(=O)cc1[C@H](NC(C)=O)CC2	ZINC000252551405	572263433	/nfs/dbraw/zinc/26/34/33/572263433.db2.gz	UEYLVEVPZOBALN-LXFBAYGMSA-N	0	0	577.682	3.382	50	0		KGAARN
COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](C(=O)NCCc3c[nH]cn3)C(C)C)c(=O)cc1[C@@H](NC(C)=O)CC2	ZINC000252551407	572263477	/nfs/dbraw/zinc/26/34/77/572263477.db2.gz	UEYLVEVPZOBALN-NEKDWFFYSA-N	0	0	577.682	3.382	50	0		KGAARN
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CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(OC(C)=O)c(OC)c3)c(=O)n2[C@H]1/C=C/c1ccccc1	ZINC000252614125	572268578	/nfs/dbraw/zinc/26/85/78/572268578.db2.gz	JGIJMKWXTPWDIY-RZXHXJGESA-N	0	0	518.591	3.397	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(OC(C)=O)c(OC)c3)c(=O)n2[C@@H]1/C=C/c1ccccc1	ZINC000252614128	572268588	/nfs/dbraw/zinc/26/85/88/572268588.db2.gz	JGIJMKWXTPWDIY-SPKPAYKGSA-N	0	0	518.591	3.397	50	0		KGAARN
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CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(I)c(OC)c(OC)c3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1	ZINC000252666197	572272895	/nfs/dbraw/zinc/27/28/95/572272895.db2.gz	ATNDUSFTRPGDAX-QHCPKHFHSA-N	0	0	650.491	3.437	50	0		KGAARN
CCn1ncc(C=c2sc3n(c2=O)[C@H](c2ccc(OC)cc2)C(C(=O)Nc2ccccc2)=C(C)N=3)c1C	ZINC000252666255	572272860	/nfs/dbraw/zinc/27/28/60/572272860.db2.gz	AWXLAIZCQCPKQM-RUZDIDTESA-N	0	0	513.623	3.407	50	0		KGAARN
CCn1ncc(C=c2sc3n(c2=O)[C@@H](c2ccc(OC)cc2)C(C(=O)Nc2ccccc2)=C(C)N=3)c1C	ZINC000252666256	572272858	/nfs/dbraw/zinc/27/28/58/572272858.db2.gz	AWXLAIZCQCPKQM-VWLOTQADSA-N	0	0	513.623	3.407	50	0		KGAARN
CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3ccc(N4CCOCC4)o3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2	ZINC000252666273	572272884	/nfs/dbraw/zinc/27/28/84/572272884.db2.gz	AYXZZSKDDFAGGJ-MUUNZHRXSA-N	0	0	585.638	3.094	50	0		KGAARN
CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3ccc(N4CCOCC4)o3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2	ZINC000252666274	572272958	/nfs/dbraw/zinc/27/29/58/572272958.db2.gz	AYXZZSKDDFAGGJ-NDEPHWFRSA-N	0	0	585.638	3.094	50	0		KGAARN
CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3ccc(N4CCOCC4)o3)c(=O)n2[C@@H]1c1ccccc1	ZINC000252666508	572273249	/nfs/dbraw/zinc/27/32/49/572273249.db2.gz	BRSXUDQJAAMZTR-HHHXNRCGSA-N	0	0	541.629	3.365	50	0		KGAARN
CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3ccc(N4CCOCC4)o3)c(=O)n2[C@H]1c1ccccc1	ZINC000252666509	572273263	/nfs/dbraw/zinc/27/32/63/572273263.db2.gz	BRSXUDQJAAMZTR-MHZLTWQESA-N	0	0	541.629	3.365	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(N(CC)CC)o3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1	ZINC000252666610	572273449	/nfs/dbraw/zinc/27/34/49/572273449.db2.gz	CAVQXNXHTUXJKW-DEOSSOPVSA-N	0	0	525.627	3.255	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(N(CC)CC)o3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1	ZINC000252666611	572273415	/nfs/dbraw/zinc/27/34/15/572273415.db2.gz	CAVQXNXHTUXJKW-XMMPIXPASA-N	0	0	525.627	3.255	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(N(CC)CC)o3)c(=O)n2[C@H]1c1cc(OC)c(OC)c(OC)c1	ZINC000252666635	572273319	/nfs/dbraw/zinc/27/33/19/572273319.db2.gz	CCFYECHRDMABMS-DEOSSOPVSA-N	0	0	555.653	3.263	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(N(CC)CC)o3)c(=O)n2[C@@H]1c1cc(OC)c(OC)c(OC)c1	ZINC000252666636	572273436	/nfs/dbraw/zinc/27/34/36/572273436.db2.gz	CCFYECHRDMABMS-XMMPIXPASA-N	0	0	555.653	3.263	50	0		KGAARN
COc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3sc(=Cc4cc5c(cc4C)OCO5)c(=O)n32)cc1	ZINC000252666791	572273556	/nfs/dbraw/zinc/27/35/56/572273556.db2.gz	CGXGRLWJMDOQNA-DEOSSOPVSA-N	0	0	506.580	3.233	50	0		KGAARN
COc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3sc(=Cc4cc5c(cc4C)OCO5)c(=O)n32)cc1	ZINC000252666792	572273530	/nfs/dbraw/zinc/27/35/30/572273530.db2.gz	CGXGRLWJMDOQNA-XMMPIXPASA-N	0	0	506.580	3.233	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(OC)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OC)c(OCC)c1	ZINC000252666800	572273514	/nfs/dbraw/zinc/27/35/14/572273514.db2.gz	CIESUSJKKUIXOI-RUZDIDTESA-N	0	0	538.622	3.223	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(OC)c(OC)c3)c(=O)n2[C@H]1c1ccc(OC)c(OCC)c1	ZINC000252666801	572273481	/nfs/dbraw/zinc/27/34/81/572273481.db2.gz	CIESUSJKKUIXOI-VWLOTQADSA-N	0	0	538.622	3.223	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(OC)cc3OC)c(=O)n2[C@@H]1c1ccc(OC)c(OCC)c1	ZINC000252667112	572273605	/nfs/dbraw/zinc/27/36/05/572273605.db2.gz	CSWOWSWSGKQXCN-RUZDIDTESA-N	0	0	538.622	3.223	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(OC)cc3OC)c(=O)n2[C@H]1c1ccc(OC)c(OCC)c1	ZINC000252667113	572273573	/nfs/dbraw/zinc/27/35/73/572273573.db2.gz	CSWOWSWSGKQXCN-VWLOTQADSA-N	0	0	538.622	3.223	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(N(CC)CC)o3)c(=O)n2[C@H]1c1ccc(OC)cc1OC	ZINC000252667383	572273735	/nfs/dbraw/zinc/27/37/35/572273735.db2.gz	CXVXFRBPDXZREU-DEOSSOPVSA-N	0	0	525.627	3.255	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(N(CC)CC)o3)c(=O)n2[C@@H]1c1ccc(OC)cc1OC	ZINC000252667384	572273682	/nfs/dbraw/zinc/27/36/82/572273682.db2.gz	CXVXFRBPDXZREU-XMMPIXPASA-N	0	0	525.627	3.255	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2sc(=CCc3cc(Cl)ccc3O)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1	ZINC000252667669	572273680	/nfs/dbraw/zinc/27/36/80/572273680.db2.gz	DEWABMFEBPONQE-HSZRJFAPSA-N	0	0	529.014	3.369	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2sc(=CCc3cc(Cl)ccc3O)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1	ZINC000252667670	572273710	/nfs/dbraw/zinc/27/37/10/572273710.db2.gz	DEWABMFEBPONQE-QHCPKHFHSA-N	0	0	529.014	3.369	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc4c(c3)OCO4)c(=O)n2[C@H]1c1ccccc1OC(C)C	ZINC000252667719	572273807	/nfs/dbraw/zinc/27/38/07/572273807.db2.gz	DIDQZBJESPREBO-DEOSSOPVSA-N	0	0	506.580	3.314	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc4c(c3)OCO4)c(=O)n2[C@@H]1c1ccccc1OC(C)C	ZINC000252667720	572273842	/nfs/dbraw/zinc/27/38/42/572273842.db2.gz	DIDQZBJESPREBO-XMMPIXPASA-N	0	0	506.580	3.314	50	0		KGAARN
COC(=O)C1=c2sc(=Cc3ccc(C)cc3)c(=O)n2C(=N)C(S(=O)(=O)c2ccccc2)[C@H]1c1ccc(C)cc1	ZINC000252668551	572274185	/nfs/dbraw/zinc/27/41/85/572274185.db2.gz	FIQCHKMDYGMAHF-DEOSSOPVSA-N	0	0	558.681	3.035	50	0		KGAARN
COC(=O)C1=c2sc(=Cc3ccc(C)cc3)c(=O)n2C(=N)C(S(=O)(=O)c2ccccc2)[C@@H]1c1ccc(C)cc1	ZINC000252668552	572274158	/nfs/dbraw/zinc/27/41/58/572274158.db2.gz	FIQCHKMDYGMAHF-XMMPIXPASA-N	0	0	558.681	3.035	50	0		KGAARN
CCCOc1c(OC)cccc1[C@@H]1C(C(=O)OCC)=C(C)N=c2sc(=Cc3ccc(OCC(N)=O)c(Br)c3)c(=O)n21	ZINC000252668881	572274304	/nfs/dbraw/zinc/27/43/04/572274304.db2.gz	FVNKXMNOINQDRZ-RUZDIDTESA-N	0	0	644.544	3.222	50	0		KGAARN
CCCOc1c(OC)cccc1[C@H]1C(C(=O)OCC)=C(C)N=c2sc(=Cc3ccc(OCC(N)=O)c(Br)c3)c(=O)n21	ZINC000252668882	572274244	/nfs/dbraw/zinc/27/42/44/572274244.db2.gz	FVNKXMNOINQDRZ-VWLOTQADSA-N	0	0	644.544	3.222	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(I)cc3)c(=O)n2[C@H]1c1ccccc1	ZINC000252668930	572274248	/nfs/dbraw/zinc/27/42/48/572274248.db2.gz	FYPAEEMZKKILBX-FQEVSTJZSA-N	0	0	530.387	3.403	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(I)cc3)c(=O)n2[C@@H]1c1ccccc1	ZINC000252668931	572274339	/nfs/dbraw/zinc/27/43/39/572274339.db2.gz	FYPAEEMZKKILBX-HXUWFJFHSA-N	0	0	530.387	3.403	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(OC(C)=O)c(OCC)c3)c(=O)n2[C@@H]1c1cccs1	ZINC000252668932	572274253	/nfs/dbraw/zinc/27/42/53/572274253.db2.gz	FYTSRBFNSFQQGM-JOCHJYFZSA-N	0	0	512.609	3.184	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(OC(C)=O)c(OCC)c3)c(=O)n2[C@H]1c1cccs1	ZINC000252668933	572274288	/nfs/dbraw/zinc/27/42/88/572274288.db2.gz	FYTSRBFNSFQQGM-QFIPXVFZSA-N	0	0	512.609	3.184	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2sc(=C3c4ccccc4N(CC)C3=O)c(=O)n2[C@H]1c1ccccc1Cl	ZINC000252668995	572274451	/nfs/dbraw/zinc/27/44/51/572274451.db2.gz	GDFLMUYHFTXZCP-NRFANRHFSA-N	0	0	507.999	3.188	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2sc(=C3c4ccccc4N(CC)C3=O)c(=O)n2[C@@H]1c1ccccc1Cl	ZINC000252668996	572274433	/nfs/dbraw/zinc/27/44/33/572274433.db2.gz	GDFLMUYHFTXZCP-OAQYLSRUSA-N	0	0	507.999	3.188	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2sc(=Cc3ccccc3OC)c(=O)n2[C@H]1c1ccc(OC)c(OCC)c1	ZINC000252669056	572274448	/nfs/dbraw/zinc/27/44/48/572274448.db2.gz	GIZHPJGZTBDXJA-DEOSSOPVSA-N	0	0	508.596	3.214	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2sc(=Cc3ccccc3OC)c(=O)n2[C@@H]1c1ccc(OC)c(OCC)c1	ZINC000252669057	572274361	/nfs/dbraw/zinc/27/43/61/572274361.db2.gz	GIZHPJGZTBDXJA-XMMPIXPASA-N	0	0	508.596	3.214	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(OC(C)=O)c(OCC)c3)c(=O)n2[C@@H]1c1ccc(OC)cc1	ZINC000252669065	572274567	/nfs/dbraw/zinc/27/45/67/572274567.db2.gz	GKFBTRPTNSFNOI-RUZDIDTESA-N	0	0	536.606	3.131	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(OC(C)=O)c(OCC)c3)c(=O)n2[C@H]1c1ccc(OC)cc1	ZINC000252669066	572274576	/nfs/dbraw/zinc/27/45/76/572274576.db2.gz	GKFBTRPTNSFNOI-VWLOTQADSA-N	0	0	536.606	3.131	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc4c(c3)OCO4)c(=O)n2[C@@H]1c1ccc(OC)c(Br)c1	ZINC000252669108	572274516	/nfs/dbraw/zinc/27/45/16/572274516.db2.gz	GMXOXHIUIXDRFN-JOCHJYFZSA-N	0	0	557.422	3.298	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc4c(c3)OCO4)c(=O)n2[C@H]1c1ccc(OC)c(Br)c1	ZINC000252669109	572274534	/nfs/dbraw/zinc/27/45/34/572274534.db2.gz	GMXOXHIUIXDRFN-QFIPXVFZSA-N	0	0	557.422	3.298	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2sc(=C3c4ccccc4N(CC)C3=O)c(=O)n2[C@H]1c1ccc(Cl)cc1	ZINC000252669129	572274568	/nfs/dbraw/zinc/27/45/68/572274568.db2.gz	GOGSCQZGRREEMW-NRFANRHFSA-N	0	0	507.999	3.188	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2sc(=C3c4ccccc4N(CC)C3=O)c(=O)n2[C@@H]1c1ccc(Cl)cc1	ZINC000252669130	572274557	/nfs/dbraw/zinc/27/45/57/572274557.db2.gz	GOGSCQZGRREEMW-OAQYLSRUSA-N	0	0	507.999	3.188	50	0		KGAARN
CCOC(=O)C1=c2sc(=Cc3ccc(C)cc3)c(=O)n2C(=N)C(S(=O)(=O)c2ccccc2)[C@@H]1c1ccc(C)cc1	ZINC000252669134	572274501	/nfs/dbraw/zinc/27/45/01/572274501.db2.gz	GOPJXWHWLXBUFC-RUZDIDTESA-N	0	0	572.708	3.425	50	0		KGAARN
CCOC(=O)C1=c2sc(=Cc3ccc(C)cc3)c(=O)n2C(=N)C(S(=O)(=O)c2ccccc2)[C@H]1c1ccc(C)cc1	ZINC000252669135	572274490	/nfs/dbraw/zinc/27/44/90/572274490.db2.gz	GOPJXWHWLXBUFC-VWLOTQADSA-N	0	0	572.708	3.425	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(I)cc3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2	ZINC000252669148	572274535	/nfs/dbraw/zinc/27/45/35/572274535.db2.gz	GQFQLKVNXCMYFV-NRFANRHFSA-N	0	0	574.396	3.132	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(I)cc3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2	ZINC000252669149	572274507	/nfs/dbraw/zinc/27/45/07/572274507.db2.gz	GQFQLKVNXCMYFV-OAQYLSRUSA-N	0	0	574.396	3.132	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(O)c(OCC)c3)c(=O)n2[C@H]1c1ccc(OCC)cc1	ZINC000252669288	572274704	/nfs/dbraw/zinc/27/47/04/572274704.db2.gz	HBKLYGNPRZTFLX-DEOSSOPVSA-N	0	0	508.596	3.301	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(O)c(OCC)c3)c(=O)n2[C@@H]1c1ccc(OCC)cc1	ZINC000252669289	572274723	/nfs/dbraw/zinc/27/47/23/572274723.db2.gz	HBKLYGNPRZTFLX-XMMPIXPASA-N	0	0	508.596	3.301	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2sc(=Cc3cccnc3)c(=O)n2[C@H]1c1c(OC)ccc2ccc(OC)cc21	ZINC000252669331	572274753	/nfs/dbraw/zinc/27/47/53/572274753.db2.gz	HEFGBKPDJXJDOP-RUZDIDTESA-N	0	0	515.591	3.364	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2sc(=Cc3cccnc3)c(=O)n2[C@@H]1c1c(OC)ccc2ccc(OC)cc21	ZINC000252669332	572274763	/nfs/dbraw/zinc/27/47/63/572274763.db2.gz	HEFGBKPDJXJDOP-VWLOTQADSA-N	0	0	515.591	3.364	50	0		KGAARN
CCCN1c2ccccc2C(=c2sc3n(c2=O)[C@@H](c2ccccc2Cl)C(C(=O)OC)=C(C)N=3)C1=O	ZINC000252669376	572274894	/nfs/dbraw/zinc/27/48/94/572274894.db2.gz	HIHOLPTWARFTOX-NRFANRHFSA-N	0	0	507.999	3.188	50	0		KGAARN
CCCN1c2ccccc2C(=c2sc3n(c2=O)[C@H](c2ccccc2Cl)C(C(=O)OC)=C(C)N=3)C1=O	ZINC000252669377	572274887	/nfs/dbraw/zinc/27/48/87/572274887.db2.gz	HIHOLPTWARFTOX-OAQYLSRUSA-N	0	0	507.999	3.188	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2sc(=Cc3cc4c(cc3Br)OCO4)c(=O)n2[C@@H]1c1ccc(OC)cc1	ZINC000252669388	572274830	/nfs/dbraw/zinc/27/48/30/572274830.db2.gz	HJGGILMQPMHLAQ-JOCHJYFZSA-N	0	0	557.422	3.298	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2sc(=Cc3cc4c(cc3Br)OCO4)c(=O)n2[C@H]1c1ccc(OC)cc1	ZINC000252669389	572274845	/nfs/dbraw/zinc/27/48/45/572274845.db2.gz	HJGGILMQPMHLAQ-QFIPXVFZSA-N	0	0	557.422	3.298	50	0		KGAARN
CCCCN1c2ccccc2C(=c2sc3n(c2=O)[C@H](c2ccccc2)C(C(=O)OCC)=C(C)N=3)C1=O	ZINC000252669441	572274976	/nfs/dbraw/zinc/27/49/76/572274976.db2.gz	HNWJNTOYVAMQOQ-HSZRJFAPSA-N	0	0	501.608	3.315	50	0		KGAARN
CCCCN1c2ccccc2C(=c2sc3n(c2=O)[C@@H](c2ccccc2)C(C(=O)OCC)=C(C)N=3)C1=O	ZINC000252669442	572275010	/nfs/dbraw/zinc/27/50/10/572275010.db2.gz	HNWJNTOYVAMQOQ-QHCPKHFHSA-N	0	0	501.608	3.315	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2sc(=Cc3ccccc3OCC(=O)NCc3ccccc3)c(=O)n2[C@H]1c1ccc(O)c(OC)c1	ZINC000252669509	572274997	/nfs/dbraw/zinc/27/49/97/572274997.db2.gz	HSKCWRCMVNKTIW-PMERELPUSA-N	0	0	613.692	3.208	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2sc(=Cc3ccccc3OCC(=O)NCc3ccccc3)c(=O)n2[C@@H]1c1ccc(O)c(OC)c1	ZINC000252669510	572275005	/nfs/dbraw/zinc/27/50/05/572275005.db2.gz	HSKCWRCMVNKTIW-SSEXGKCCSA-N	0	0	613.692	3.208	50	0		KGAARN
CCOC(=O)C1=c2sc(=Cc3cccc(Br)c3)c(=O)n2C(N)=C(C(=O)OCC)[C@@H]1c1cccc(Br)c1	ZINC000252669550	572275088	/nfs/dbraw/zinc/27/50/88/572275088.db2.gz	HVWOQJUNPCAJIV-IBGZPJMESA-N	0	0	634.346	3.465	50	0		KGAARN
CCOC(=O)C1=c2sc(=Cc3cccc(Br)c3)c(=O)n2C(N)=C(C(=O)OCC)[C@H]1c1cccc(Br)c1	ZINC000252669551	572275138	/nfs/dbraw/zinc/27/51/38/572275138.db2.gz	HVWOQJUNPCAJIV-LJQANCHMSA-N	0	0	634.346	3.465	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(O)c(Br)c3)c(=O)n2[C@H]1c1ccc(OC)cc1	ZINC000252669739	572275241	/nfs/dbraw/zinc/27/52/41/572275241.db2.gz	INXZEZMRPRMEJD-NRFANRHFSA-N	0	0	529.412	3.275	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(O)c(Br)c3)c(=O)n2[C@@H]1c1ccc(OC)cc1	ZINC000252669740	572275232	/nfs/dbraw/zinc/27/52/32/572275232.db2.gz	INXZEZMRPRMEJD-OAQYLSRUSA-N	0	0	529.412	3.275	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(OC(F)F)cc3)c(=O)n2[C@H]1c1ccc(OC)cc1	ZINC000252669856	572275330	/nfs/dbraw/zinc/27/53/30/572275330.db2.gz	IVOBPAZOPKGVFW-NRFANRHFSA-N	0	0	500.523	3.408	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(OC(F)F)cc3)c(=O)n2[C@@H]1c1ccc(OC)cc1	ZINC000252669857	572275363	/nfs/dbraw/zinc/27/53/63/572275363.db2.gz	IVOBPAZOPKGVFW-OAQYLSRUSA-N	0	0	500.523	3.408	50	0		KGAARN
O=c1c(=Cc2cc(I)cc(I)c2O)sc2nc3ccccc3n12	ZINC000252669893	572275485	/nfs/dbraw/zinc/27/54/85/572275485.db2.gz	IYBZVNSCXKSZGG-UHFFFAOYSA-N	0	0	546.127	3.372	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(Br)c(O)c(OC)c3)c(=O)n2[C@H]1c1ccc(OC)cc1	ZINC000252670031	572275599	/nfs/dbraw/zinc/27/55/99/572275599.db2.gz	JIVVEGWYGMISBZ-NRFANRHFSA-N	0	0	559.438	3.284	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(Br)c(O)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OC)cc1	ZINC000252670032	572275550	/nfs/dbraw/zinc/27/55/50/572275550.db2.gz	JIVVEGWYGMISBZ-OAQYLSRUSA-N	0	0	559.438	3.284	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(Br)c(O)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1	ZINC000252670083	572275588	/nfs/dbraw/zinc/27/55/88/572275588.db2.gz	JNDSABZAAKABIM-JOCHJYFZSA-N	0	0	589.464	3.292	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(Br)c(O)c(OC)c3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1	ZINC000252670084	572275569	/nfs/dbraw/zinc/27/55/69/572275569.db2.gz	JNDSABZAAKABIM-QFIPXVFZSA-N	0	0	589.464	3.292	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(OC)cc3)c(=O)n2[C@H]1c1ccc(OC)c(OCC)c1	ZINC000252670189	572275673	/nfs/dbraw/zinc/27/56/73/572275673.db2.gz	JVAHSYRAGPYXLI-DEOSSOPVSA-N	0	0	508.596	3.214	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(OC)cc3)c(=O)n2[C@@H]1c1ccc(OC)c(OCC)c1	ZINC000252670190	572275696	/nfs/dbraw/zinc/27/56/96/572275696.db2.gz	JVAHSYRAGPYXLI-XMMPIXPASA-N	0	0	508.596	3.214	50	0		KGAARN
COC(=O)C1=C(C)N=c2sc(=Cc3cc(Br)ccc3OC(C)=O)c(=O)n2[C@@H]1c1ccc(OC)cc1	ZINC000252670277	572275795	/nfs/dbraw/zinc/27/57/95/572275795.db2.gz	KBLXIQCKFDJEIA-JOCHJYFZSA-N	0	0	557.422	3.105	50	0		KGAARN
COC(=O)C1=C(C)N=c2sc(=Cc3cc(Br)ccc3OC(C)=O)c(=O)n2[C@H]1c1ccc(OC)cc1	ZINC000252670278	572275833	/nfs/dbraw/zinc/27/58/33/572275833.db2.gz	KBLXIQCKFDJEIA-QFIPXVFZSA-N	0	0	557.422	3.105	50	0		KGAARN
COc1cccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3sc(=Cc4ccc(N5CCOCC5)o4)c(=O)n32)c1	ZINC000252670302	572275799	/nfs/dbraw/zinc/27/57/99/572275799.db2.gz	KDHTVIFROFPJEE-HHHXNRCGSA-N	0	0	556.644	3.312	50	0		KGAARN
COc1cccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3sc(=Cc4ccc(N5CCOCC5)o4)c(=O)n32)c1	ZINC000252670303	572275822	/nfs/dbraw/zinc/27/58/22/572275822.db2.gz	KDHTVIFROFPJEE-MHZLTWQESA-N	0	0	556.644	3.312	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(Br)ccc3OC(C)=O)c(=O)n2[C@@H]1c1ccc(OC)cc1	ZINC000252670411	572275917	/nfs/dbraw/zinc/27/59/17/572275917.db2.gz	KMYGLCPYYWKIMQ-HSZRJFAPSA-N	0	0	571.449	3.495	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(Br)ccc3OC(C)=O)c(=O)n2[C@H]1c1ccc(OC)cc1	ZINC000252670412	572275925	/nfs/dbraw/zinc/27/59/25/572275925.db2.gz	KMYGLCPYYWKIMQ-QHCPKHFHSA-N	0	0	571.449	3.495	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(N4CCCCC4)o3)c(=O)n2[C@@H]1c1cc(OC)c(OC)c(OC)c1	ZINC000252670451	572276037	/nfs/dbraw/zinc/27/60/37/572276037.db2.gz	KQBZBOOFJFXKJC-RUZDIDTESA-N	0	0	567.664	3.407	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(N4CCCCC4)o3)c(=O)n2[C@H]1c1cc(OC)c(OC)c(OC)c1	ZINC000252670452	572276032	/nfs/dbraw/zinc/27/60/32/572276032.db2.gz	KQBZBOOFJFXKJC-VWLOTQADSA-N	0	0	567.664	3.407	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(I)cc3)c(=O)n2[C@@H]1c1ccc(OC)cc1OC	ZINC000252670501	572276053	/nfs/dbraw/zinc/27/60/53/572276053.db2.gz	KUORPZZIDXLDPD-JOCHJYFZSA-N	0	0	590.439	3.420	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(I)cc3)c(=O)n2[C@H]1c1ccc(OC)cc1OC	ZINC000252670502	572276068	/nfs/dbraw/zinc/27/60/68/572276068.db2.gz	KUORPZZIDXLDPD-QFIPXVFZSA-N	0	0	590.439	3.420	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2sc(=Cc3ccccc3O)c(=O)n2[C@@H]1c1cc(OC)c(OC)cc1Br	ZINC000252670564	572276155	/nfs/dbraw/zinc/27/61/55/572276155.db2.gz	KZQSXKSRHHAOOU-JOCHJYFZSA-N	0	0	559.438	3.284	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2sc(=Cc3ccccc3O)c(=O)n2[C@H]1c1cc(OC)c(OC)cc1Br	ZINC000252670565	572276147	/nfs/dbraw/zinc/27/61/47/572276147.db2.gz	KZQSXKSRHHAOOU-QFIPXVFZSA-N	0	0	559.438	3.284	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(N4CCCCC4)o3)c(=O)n2[C@H]1c1ccc(OC)cc1	ZINC000252670580	572276149	/nfs/dbraw/zinc/27/61/49/572276149.db2.gz	LBMMIZVFUFKVHF-DEOSSOPVSA-N	0	0	507.612	3.390	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(N4CCCCC4)o3)c(=O)n2[C@@H]1c1ccc(OC)cc1	ZINC000252670581	572276138	/nfs/dbraw/zinc/27/61/38/572276138.db2.gz	LBMMIZVFUFKVHF-XMMPIXPASA-N	0	0	507.612	3.390	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(Br)o3)c(=O)n2[C@H]1c1cc(OC)ccc1OC	ZINC000252670599	572276125	/nfs/dbraw/zinc/27/61/25/572276125.db2.gz	LCSOLKAHWROVFU-FQEVSTJZSA-N	0	0	533.400	3.171	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(Br)o3)c(=O)n2[C@@H]1c1cc(OC)ccc1OC	ZINC000252670600	572276170	/nfs/dbraw/zinc/27/61/70/572276170.db2.gz	LCSOLKAHWROVFU-HXUWFJFHSA-N	0	0	533.400	3.171	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2sc(=C3c4ccccc4N(C(C)=O)C3=O)c(=O)n2[C@H]1c1ccc(C(C)(C)C)cc1	ZINC000252670666	572276264	/nfs/dbraw/zinc/27/62/64/572276264.db2.gz	LHQPYVLSNMVZNI-DEOSSOPVSA-N	0	0	543.645	3.359	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2sc(=C3c4ccccc4N(C(C)=O)C3=O)c(=O)n2[C@@H]1c1ccc(C(C)(C)C)cc1	ZINC000252670667	572276254	/nfs/dbraw/zinc/27/62/54/572276254.db2.gz	LHQPYVLSNMVZNI-XMMPIXPASA-N	0	0	543.645	3.359	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(Br)ccc3O)c(=O)n2[C@@H]1c1cccs1	ZINC000252670828	572276401	/nfs/dbraw/zinc/27/64/01/572276401.db2.gz	LTQINUYSWPSMNB-GOSISDBHSA-N	0	0	505.415	3.328	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(Br)ccc3O)c(=O)n2[C@H]1c1cccs1	ZINC000252670829	572276326	/nfs/dbraw/zinc/27/63/26/572276326.db2.gz	LTQINUYSWPSMNB-SFHVURJKSA-N	0	0	505.415	3.328	50	0		KGAARN
CCCCN1c2ccccc2C(=c2sc3n(c2=O)[C@@H](c2ccc(OC)cc2)C(C(=O)OCC)=C(C)N=3)C1=O	ZINC000252670846	572276400	/nfs/dbraw/zinc/27/64/00/572276400.db2.gz	LVHVQKYFNUSVRV-DEOSSOPVSA-N	0	0	531.634	3.324	50	0		KGAARN
CCCCN1c2ccccc2C(=c2sc3n(c2=O)[C@H](c2ccc(OC)cc2)C(C(=O)OCC)=C(C)N=3)C1=O	ZINC000252670847	572276385	/nfs/dbraw/zinc/27/63/85/572276385.db2.gz	LVHVQKYFNUSVRV-XMMPIXPASA-N	0	0	531.634	3.324	50	0		KGAARN
COC(=O)C1=C(C)N=c2sc(=Cc3c(C)[nH]c4ccccc43)c(=O)n2[C@H]1c1ccc(OC)cc1OC	ZINC000252670848	572276346	/nfs/dbraw/zinc/27/63/46/572276346.db2.gz	LVIMLOWPSZECOH-DEOSSOPVSA-N	0	0	503.580	3.215	50	0		KGAARN
COC(=O)C1=C(C)N=c2sc(=Cc3c(C)[nH]c4ccccc43)c(=O)n2[C@@H]1c1ccc(OC)cc1OC	ZINC000252670849	572276340	/nfs/dbraw/zinc/27/63/40/572276340.db2.gz	LVIMLOWPSZECOH-XMMPIXPASA-N	0	0	503.580	3.215	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(OC(C)=O)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OCC)cc1	ZINC000252670926	572276479	/nfs/dbraw/zinc/27/64/79/572276479.db2.gz	MCGPKRZPCCBIJL-RUZDIDTESA-N	0	0	536.606	3.131	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(OC(C)=O)c(OC)c3)c(=O)n2[C@H]1c1ccc(OCC)cc1	ZINC000252670927	572276468	/nfs/dbraw/zinc/27/64/68/572276468.db2.gz	MCGPKRZPCCBIJL-VWLOTQADSA-N	0	0	536.606	3.131	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(I)c(OC)c(OC)c3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2	ZINC000252670929	572276491	/nfs/dbraw/zinc/27/64/91/572276491.db2.gz	MCHMWCRHZYMCHR-JOCHJYFZSA-N	0	0	634.448	3.149	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(I)c(OC)c(OC)c3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2	ZINC000252670930	572276494	/nfs/dbraw/zinc/27/64/94/572276494.db2.gz	MCHMWCRHZYMCHR-QFIPXVFZSA-N	0	0	634.448	3.149	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(OC)c(OC)cc3Br)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2	ZINC000252671027	572276444	/nfs/dbraw/zinc/27/64/44/572276444.db2.gz	MLPPSRSJRYYJGG-HSZRJFAPSA-N	0	0	587.448	3.307	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(OC)c(OC)cc3Br)c(=O)n2[C@H]1c1ccc2c(c1)OCO2	ZINC000252671028	572276486	/nfs/dbraw/zinc/27/64/86/572276486.db2.gz	MLPPSRSJRYYJGG-QHCPKHFHSA-N	0	0	587.448	3.307	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2sc(=C3c4ccccc4N(C)C3=O)c(=O)n2[C@@H]1c1ccc(C(C)(C)C)cc1	ZINC000252671030	572276554	/nfs/dbraw/zinc/27/65/54/572276554.db2.gz	MLRRSDVPXNWUKH-HSZRJFAPSA-N	0	0	515.635	3.442	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2sc(=C3c4ccccc4N(C)C3=O)c(=O)n2[C@H]1c1ccc(C(C)(C)C)cc1	ZINC000252671031	572276599	/nfs/dbraw/zinc/27/65/99/572276599.db2.gz	MLRRSDVPXNWUKH-QHCPKHFHSA-N	0	0	515.635	3.442	50	0		KGAARN
CCOC(=O)COc1ccc(C=c2sc3n(c2=O)[C@H](c2ccccc2OCC)C(C(=O)OCC)=C(C)N=3)cc1	ZINC000252671088	572276615	/nfs/dbraw/zinc/27/66/15/572276615.db2.gz	MQXDPOHIUMQLHY-AREMUKBSSA-N	0	0	550.633	3.139	50	0		KGAARN
CCOC(=O)COc1ccc(C=c2sc3n(c2=O)[C@@H](c2ccccc2OCC)C(C(=O)OCC)=C(C)N=3)cc1	ZINC000252671089	572276586	/nfs/dbraw/zinc/27/65/86/572276586.db2.gz	MQXDPOHIUMQLHY-SANMLTNESA-N	0	0	550.633	3.139	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(N(CC)CC)o3)c(=O)n2[C@H]1c1cc(OC)ccc1OC	ZINC000252671135	572276622	/nfs/dbraw/zinc/27/66/22/572276622.db2.gz	MUGPFXMYOJNGBA-DEOSSOPVSA-N	0	0	525.627	3.255	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(N(CC)CC)o3)c(=O)n2[C@@H]1c1cc(OC)ccc1OC	ZINC000252671136	572276611	/nfs/dbraw/zinc/27/66/11/572276611.db2.gz	MUGPFXMYOJNGBA-XMMPIXPASA-N	0	0	525.627	3.255	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(I)c(O)c(OC)c3)c(=O)n2[C@H]1c1ccc(OC)cc1	ZINC000252671140	572276717	/nfs/dbraw/zinc/27/67/17/572276717.db2.gz	MUMTZYAFCDWKRO-NRFANRHFSA-N	0	0	606.438	3.126	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(I)c(O)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OC)cc1	ZINC000252671141	572276688	/nfs/dbraw/zinc/27/66/88/572276688.db2.gz	MUMTZYAFCDWKRO-OAQYLSRUSA-N	0	0	606.438	3.126	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(N4CCOCC4)o3)c(=O)n2[C@@H]1c1ccccc1OC(C)C	ZINC000252671143	572276716	/nfs/dbraw/zinc/27/67/16/572276716.db2.gz	MUSVFDFXDDAYOK-RUZDIDTESA-N	0	0	537.638	3.015	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(N4CCOCC4)o3)c(=O)n2[C@H]1c1ccccc1OC(C)C	ZINC000252671144	572276726	/nfs/dbraw/zinc/27/67/26/572276726.db2.gz	MUSVFDFXDDAYOK-VWLOTQADSA-N	0	0	537.638	3.015	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(Br)ccc3OC)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2	ZINC000252671188	572276744	/nfs/dbraw/zinc/27/67/44/572276744.db2.gz	MXWDJRFEYLMJCL-JOCHJYFZSA-N	0	0	557.422	3.298	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(Br)ccc3OC)c(=O)n2[C@H]1c1ccc2c(c1)OCO2	ZINC000252671189	572276737	/nfs/dbraw/zinc/27/67/37/572276737.db2.gz	MXWDJRFEYLMJCL-QFIPXVFZSA-N	0	0	557.422	3.298	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2sc(=Cc3ccco3)c(=O)n2[C@H]1c1ccc(OC)c(Br)c1	ZINC000252671207	572276706	/nfs/dbraw/zinc/27/67/06/572276706.db2.gz	MZBQCTDEXANSBN-IBGZPJMESA-N	0	0	503.374	3.162	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2sc(=Cc3ccco3)c(=O)n2[C@@H]1c1ccc(OC)c(Br)c1	ZINC000252671208	572276720	/nfs/dbraw/zinc/27/67/20/572276720.db2.gz	MZBQCTDEXANSBN-LJQANCHMSA-N	0	0	503.374	3.162	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(Br)c(O)c(OC)c3)c(=O)n2[C@@H]1c1cccs1	ZINC000252671354	572276824	/nfs/dbraw/zinc/27/68/24/572276824.db2.gz	NHNLKIBFKVAJTF-GOSISDBHSA-N	0	0	535.441	3.337	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(Br)c(O)c(OC)c3)c(=O)n2[C@H]1c1cccs1	ZINC000252671355	572276775	/nfs/dbraw/zinc/27/67/75/572276775.db2.gz	NHNLKIBFKVAJTF-SFHVURJKSA-N	0	0	535.441	3.337	50	0		KGAARN
CCCC1=C(C(=O)OCC)[C@H](c2cccc(OC)c2)n2c(=O)c(=Cc3ccc(C(=O)OC)cc3)sc2=N1	ZINC000252671391	572276817	/nfs/dbraw/zinc/27/68/17/572276817.db2.gz	NIRBBDITDAUZTA-DEOSSOPVSA-N	0	0	520.607	3.374	50	0		KGAARN
CCCC1=C(C(=O)OCC)[C@@H](c2cccc(OC)c2)n2c(=O)c(=Cc3ccc(C(=O)OC)cc3)sc2=N1	ZINC000252671394	572276846	/nfs/dbraw/zinc/27/68/46/572276846.db2.gz	NIRBBDITDAUZTA-XMMPIXPASA-N	0	0	520.607	3.374	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2sc(=Cc3cc4c(cc3Cl)OCO4)c(=O)n2[C@@H]1c1ccc(OC)cc1	ZINC000252671555	572276948	/nfs/dbraw/zinc/27/69/48/572276948.db2.gz	NOEBZSSVHZQJGS-JOCHJYFZSA-N	0	0	512.971	3.189	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2sc(=Cc3cc4c(cc3Cl)OCO4)c(=O)n2[C@H]1c1ccc(OC)cc1	ZINC000252671556	572276976	/nfs/dbraw/zinc/27/69/76/572276976.db2.gz	NOEBZSSVHZQJGS-QFIPXVFZSA-N	0	0	512.971	3.189	50	0		KGAARN
CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3ccc(OC)c(O)c3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2	ZINC000252671600	572276952	/nfs/dbraw/zinc/27/69/52/572276952.db2.gz	NSGWRPMFWBPJDR-HHHXNRCGSA-N	0	0	556.596	3.379	50	0		KGAARN
CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3ccc(OC)c(O)c3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2	ZINC000252671601	572276897	/nfs/dbraw/zinc/27/68/97/572276897.db2.gz	NSGWRPMFWBPJDR-MHZLTWQESA-N	0	0	556.596	3.379	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(O)c(OCC)c3)c(=O)n2[C@@H]1c1ccc(OC)c(OCC)c1	ZINC000252671612	572276961	/nfs/dbraw/zinc/27/69/61/572276961.db2.gz	NTRSVWFULBKSMJ-RUZDIDTESA-N	0	0	538.622	3.310	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(O)c(OCC)c3)c(=O)n2[C@H]1c1ccc(OC)c(OCC)c1	ZINC000252671613	572277014	/nfs/dbraw/zinc/27/70/14/572277014.db2.gz	NTRSVWFULBKSMJ-VWLOTQADSA-N	0	0	538.622	3.310	50	0		KGAARN
CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3ccncc3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2	ZINC000252671637	572277041	/nfs/dbraw/zinc/27/70/41/572277041.db2.gz	NVNAIJREYDDYOT-RUZDIDTESA-N	0	0	511.559	3.059	50	0		KGAARN
CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3ccncc3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2	ZINC000252671638	572277072	/nfs/dbraw/zinc/27/70/72/572277072.db2.gz	NVNAIJREYDDYOT-VWLOTQADSA-N	0	0	511.559	3.059	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(OC)ccc3OC)c(=O)n2[C@@H]1c1ccc(OC)c(OCC)c1	ZINC000252671654	572277034	/nfs/dbraw/zinc/27/70/34/572277034.db2.gz	NWNWDWCEBWONKS-RUZDIDTESA-N	0	0	538.622	3.223	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(OC)ccc3OC)c(=O)n2[C@H]1c1ccc(OC)c(OCC)c1	ZINC000252671655	572277003	/nfs/dbraw/zinc/27/70/03/572277003.db2.gz	NWNWDWCEBWONKS-VWLOTQADSA-N	0	0	538.622	3.223	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(N4CCCCC4)o3)c(=O)n2[C@H]1c1ccccc1OC	ZINC000252671756	572277174	/nfs/dbraw/zinc/27/71/74/572277174.db2.gz	ODSZPZWJCMKNDM-DEOSSOPVSA-N	0	0	507.612	3.390	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(N4CCCCC4)o3)c(=O)n2[C@@H]1c1ccccc1OC	ZINC000252671757	572277151	/nfs/dbraw/zinc/27/71/51/572277151.db2.gz	ODSZPZWJCMKNDM-XMMPIXPASA-N	0	0	507.612	3.390	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(N4CCCCC4)o3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1	ZINC000252671783	572277108	/nfs/dbraw/zinc/27/71/08/572277108.db2.gz	OFTPVNBOSBJHEK-RUZDIDTESA-N	0	0	537.638	3.399	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(N4CCCCC4)o3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1	ZINC000252671784	572277122	/nfs/dbraw/zinc/27/71/22/572277122.db2.gz	OFTPVNBOSBJHEK-VWLOTQADSA-N	0	0	537.638	3.399	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(N4CCN(C)CC4)o3)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1	ZINC000252671825	572277168	/nfs/dbraw/zinc/27/71/68/572277168.db2.gz	OJOKMZHCKMRDRS-AREMUKBSSA-N	0	0	534.682	3.267	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(N4CCN(C)CC4)o3)c(=O)n2[C@H]1c1ccc(C(C)C)cc1	ZINC000252671826	572277147	/nfs/dbraw/zinc/27/71/47/572277147.db2.gz	OJOKMZHCKMRDRS-SANMLTNESA-N	0	0	534.682	3.267	50	0		KGAARN
CCOC(=O)C1=C(N)n2c(=O)c(=Cc3ccc(Br)cc3)sc2=C(C(=O)OC)[C@@H]1c1ccc(Br)cc1	ZINC000252671867	572277306	/nfs/dbraw/zinc/27/73/06/572277306.db2.gz	OMJFGQKPJUAMNP-GOSISDBHSA-N	0	0	620.319	3.075	50	0		KGAARN
CCOC(=O)C1=C(N)n2c(=O)c(=Cc3ccc(Br)cc3)sc2=C(C(=O)OC)[C@H]1c1ccc(Br)cc1	ZINC000252671868	572277312	/nfs/dbraw/zinc/27/73/12/572277312.db2.gz	OMJFGQKPJUAMNP-SFHVURJKSA-N	0	0	620.319	3.075	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(Br)ccc3OC(C)=O)c(=O)n2[C@H]1c1ccc(OC(C)=O)cc1	ZINC000252671869	572277307	/nfs/dbraw/zinc/27/73/07/572277307.db2.gz	OMKJZKQEXBAVTA-DEOSSOPVSA-N	0	0	599.459	3.411	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(Br)ccc3OC(C)=O)c(=O)n2[C@@H]1c1ccc(OC(C)=O)cc1	ZINC000252671870	572277287	/nfs/dbraw/zinc/27/72/87/572277287.db2.gz	OMKJZKQEXBAVTA-XMMPIXPASA-N	0	0	599.459	3.411	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(Br)ccc3O)c(=O)n2[C@@H]1c1cc(OC)ccc1OC	ZINC000252671897	572277278	/nfs/dbraw/zinc/27/72/78/572277278.db2.gz	ONQIMTYPLFFMQX-JOCHJYFZSA-N	0	0	559.438	3.284	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(Br)ccc3O)c(=O)n2[C@H]1c1cc(OC)ccc1OC	ZINC000252671898	572277289	/nfs/dbraw/zinc/27/72/89/572277289.db2.gz	ONQIMTYPLFFMQX-QFIPXVFZSA-N	0	0	559.438	3.284	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(N4CCCCC4)o3)c(=O)n2[C@H]1c1cccc(OC)c1	ZINC000252672046	572277483	/nfs/dbraw/zinc/27/74/83/572277483.db2.gz	PAIPNHFAHXJDCO-DEOSSOPVSA-N	0	0	507.612	3.390	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(N4CCCCC4)o3)c(=O)n2[C@@H]1c1cccc(OC)c1	ZINC000252672047	572277528	/nfs/dbraw/zinc/27/75/28/572277528.db2.gz	PAIPNHFAHXJDCO-XMMPIXPASA-N	0	0	507.612	3.390	50	0		KGAARN
COC(=O)C1=C(C)N=c2sc(=Cc3cc(Br)ccc3OC(C)=O)c(=O)n2[C@H]1c1cccs1	ZINC000252672084	572277495	/nfs/dbraw/zinc/27/74/95/572277495.db2.gz	PDQQJYIAXYVVNB-IBGZPJMESA-N	0	0	533.425	3.158	50	0		KGAARN
COC(=O)C1=C(C)N=c2sc(=Cc3cc(Br)ccc3OC(C)=O)c(=O)n2[C@@H]1c1cccs1	ZINC000252672085	572277490	/nfs/dbraw/zinc/27/74/90/572277490.db2.gz	PDQQJYIAXYVVNB-LJQANCHMSA-N	0	0	533.425	3.158	50	0		KGAARN
CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3ccc(N4CCN(C)CC4)o3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1	ZINC000252672115	572277474	/nfs/dbraw/zinc/27/74/74/572277474.db2.gz	PHASNDXPRPAAGY-PMERELPUSA-N	0	0	614.724	3.298	50	0		KGAARN
CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3ccc(N4CCN(C)CC4)o3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1	ZINC000252672116	572277498	/nfs/dbraw/zinc/27/74/98/572277498.db2.gz	PHASNDXPRPAAGY-SSEXGKCCSA-N	0	0	614.724	3.298	50	0		KGAARN
CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3ccc(O)c(OC)c3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2	ZINC000252672174	572277580	/nfs/dbraw/zinc/27/75/80/572277580.db2.gz	PLHZSRCUEFQWMX-HHHXNRCGSA-N	0	0	556.596	3.379	50	0		KGAARN
CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3ccc(O)c(OC)c3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2	ZINC000252672175	572277600	/nfs/dbraw/zinc/27/76/00/572277600.db2.gz	PLHZSRCUEFQWMX-MHZLTWQESA-N	0	0	556.596	3.379	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(Br)o3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1	ZINC000252672205	572277601	/nfs/dbraw/zinc/27/76/01/572277601.db2.gz	PNMITKMVDYXSMB-FQEVSTJZSA-N	0	0	533.400	3.171	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(Br)o3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1	ZINC000252672206	572277584	/nfs/dbraw/zinc/27/75/84/572277584.db2.gz	PNMITKMVDYXSMB-HXUWFJFHSA-N	0	0	533.400	3.171	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(OC)c(O)cc3Br)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1	ZINC000252672335	572277718	/nfs/dbraw/zinc/27/77/18/572277718.db2.gz	PXYMBGQZYVOYJO-HSZRJFAPSA-N	0	0	589.464	3.292	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(OC)c(O)cc3Br)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1	ZINC000252672336	572277750	/nfs/dbraw/zinc/27/77/50/572277750.db2.gz	PXYMBGQZYVOYJO-QHCPKHFHSA-N	0	0	589.464	3.292	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(C)n(C[C@@H]4CCCO4)c3C)c(=O)n2[C@@H]1c1cccc(OC)c1OC	ZINC000252672397	572277825	/nfs/dbraw/zinc/27/78/25/572277825.db2.gz	QCBFVGHLKIMOLI-HFZDXXHNSA-N	0	0	565.692	3.413	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(C)n(C[C@@H]4CCCO4)c3C)c(=O)n2[C@H]1c1cccc(OC)c1OC	ZINC000252672398	572277847	/nfs/dbraw/zinc/27/78/47/572277847.db2.gz	QCBFVGHLKIMOLI-LVXARBLLSA-N	0	0	565.692	3.413	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(C)n(C[C@H]4CCCO4)c3C)c(=O)n2[C@@H]1c1cccc(OC)c1OC	ZINC000252672399	572277821	/nfs/dbraw/zinc/27/78/21/572277821.db2.gz	QCBFVGHLKIMOLI-QFQXNSOFSA-N	0	0	565.692	3.413	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(C)n(C[C@H]4CCCO4)c3C)c(=O)n2[C@H]1c1cccc(OC)c1OC	ZINC000252672400	572277809	/nfs/dbraw/zinc/27/78/09/572277809.db2.gz	QCBFVGHLKIMOLI-RLWLMLJZSA-N	0	0	565.692	3.413	50	0		KGAARN
CCOC(=O)C1=C(N)n2c(=O)c(=Cc3cccc(Br)c3)sc2=C(C(=O)OC)[C@@H]1c1cccc(Br)c1	ZINC000252672476	572277852	/nfs/dbraw/zinc/27/78/52/572277852.db2.gz	QDLRWCFGCWRDPZ-GOSISDBHSA-N	0	0	620.319	3.075	50	0		KGAARN
CCOC(=O)C1=C(N)n2c(=O)c(=Cc3cccc(Br)c3)sc2=C(C(=O)OC)[C@H]1c1cccc(Br)c1	ZINC000252672478	572277811	/nfs/dbraw/zinc/27/78/11/572277811.db2.gz	QDLRWCFGCWRDPZ-SFHVURJKSA-N	0	0	620.319	3.075	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(OC)c(O)cc3Br)c(=O)n2[C@H]1c1ccccc1	ZINC000252672585	572277949	/nfs/dbraw/zinc/27/79/49/572277949.db2.gz	QGMMJSSVUMMMDK-NRFANRHFSA-N	0	0	529.412	3.275	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(OC)c(O)cc3Br)c(=O)n2[C@@H]1c1ccccc1	ZINC000252672586	572277920	/nfs/dbraw/zinc/27/79/20/572277920.db2.gz	QGMMJSSVUMMMDK-OAQYLSRUSA-N	0	0	529.412	3.275	50	0		KGAARN
CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3ccc(N(C)C)o3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2	ZINC000252672721	572277928	/nfs/dbraw/zinc/27/79/28/572277928.db2.gz	QJYBLMXVHDXOOP-AREMUKBSSA-N	0	0	543.601	3.323	50	0		KGAARN
CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3ccc(N(C)C)o3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2	ZINC000252672722	572277943	/nfs/dbraw/zinc/27/79/43/572277943.db2.gz	QJYBLMXVHDXOOP-SANMLTNESA-N	0	0	543.601	3.323	50	0		KGAARN
CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3ccccc3O)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2	ZINC000252673026	572278108	/nfs/dbraw/zinc/27/81/08/572278108.db2.gz	QRPRSRRFBMQUQG-AREMUKBSSA-N	0	0	526.570	3.370	50	0		KGAARN
CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3ccccc3O)c(=O)n2[C@H]1c1ccc2c(c1)OCO2	ZINC000252673027	572278060	/nfs/dbraw/zinc/27/80/60/572278060.db2.gz	QRPRSRRFBMQUQG-SANMLTNESA-N	0	0	526.570	3.370	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(O)c(OC)c3)c(=O)n2[C@H]1c1ccc(Br)cc1	ZINC000252673037	572278101	/nfs/dbraw/zinc/27/81/01/572278101.db2.gz	QSWULSJMVNJGKQ-NRFANRHFSA-N	0	0	529.412	3.275	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(O)c(OC)c3)c(=O)n2[C@@H]1c1ccc(Br)cc1	ZINC000252673038	572278030	/nfs/dbraw/zinc/27/80/30/572278030.db2.gz	QSWULSJMVNJGKQ-OAQYLSRUSA-N	0	0	529.412	3.275	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2sc(=Cc3c[nH]c4ccccc34)c(=O)n2[C@H]1c1cc(OC)ccc1OC	ZINC000252673920	572278392	/nfs/dbraw/zinc/27/83/92/572278392.db2.gz	RMPQUWUWCKBLBD-DEOSSOPVSA-N	0	0	503.580	3.297	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2sc(=Cc3c[nH]c4ccccc34)c(=O)n2[C@@H]1c1cc(OC)ccc1OC	ZINC000252673921	572278363	/nfs/dbraw/zinc/27/83/63/572278363.db2.gz	RMPQUWUWCKBLBD-XMMPIXPASA-N	0	0	503.580	3.297	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(I)cc3)c(=O)n2[C@H]1c1ccc(O)cc1	ZINC000252673954	572278365	/nfs/dbraw/zinc/27/83/65/572278365.db2.gz	RQPBBAKURGUGNY-FQEVSTJZSA-N	0	0	546.386	3.109	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(I)cc3)c(=O)n2[C@@H]1c1ccc(O)cc1	ZINC000252673955	572278370	/nfs/dbraw/zinc/27/83/70/572278370.db2.gz	RQPBBAKURGUGNY-HXUWFJFHSA-N	0	0	546.386	3.109	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(Cl)cc3)c(=O)n2[C@@H]1c1ccc(OC(C)=O)c(OC)c1	ZINC000252674216	572278480	/nfs/dbraw/zinc/27/84/80/572278480.db2.gz	RVFHETIGTDUGCK-HSZRJFAPSA-N	0	0	526.998	3.386	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(Cl)cc3)c(=O)n2[C@H]1c1ccc(OC(C)=O)c(OC)c1	ZINC000252674219	572278523	/nfs/dbraw/zinc/27/85/23/572278523.db2.gz	RVFHETIGTDUGCK-QHCPKHFHSA-N	0	0	526.998	3.386	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(N4CCOCC4)o3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc21	ZINC000252674267	572278630	/nfs/dbraw/zinc/27/86/30/572278630.db2.gz	RXSZDBYLTFHLIR-HHHXNRCGSA-N	0	0	559.644	3.390	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(N4CCOCC4)o3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc21	ZINC000252674268	572278592	/nfs/dbraw/zinc/27/85/92/572278592.db2.gz	RXSZDBYLTFHLIR-MHZLTWQESA-N	0	0	559.644	3.390	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2sc(=Cc3c[nH]nc3-c3ccccc3)c(=O)n2[C@H]1c1ccc(OC)cc1	ZINC000252674486	572278745	/nfs/dbraw/zinc/27/87/45/572278745.db2.gz	SEWLAXZPYWQOBL-DEOSSOPVSA-N	0	0	500.580	3.197	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2sc(=Cc3c[nH]nc3-c3ccccc3)c(=O)n2[C@@H]1c1ccc(OC)cc1	ZINC000252674489	572278726	/nfs/dbraw/zinc/27/87/26/572278726.db2.gz	SEWLAXZPYWQOBL-XMMPIXPASA-N	0	0	500.580	3.197	50	0		KGAARN
COC(=O)C1=C(C)N=c2sc(=Cc3ccc(N4CCCCC4)o3)c(=O)n2[C@H]1c1ccc(OC)cc1OC	ZINC000252674784	572278859	/nfs/dbraw/zinc/27/88/59/572278859.db2.gz	SNOKJZULUPOQPQ-DEOSSOPVSA-N	0	0	523.611	3.009	50	0		KGAARN
COC(=O)C1=C(C)N=c2sc(=Cc3ccc(N4CCCCC4)o3)c(=O)n2[C@@H]1c1ccc(OC)cc1OC	ZINC000252674785	572278808	/nfs/dbraw/zinc/27/88/08/572278808.db2.gz	SNOKJZULUPOQPQ-XMMPIXPASA-N	0	0	523.611	3.009	50	0		KGAARN
CCn1cc(C=c2sc3n(c2=O)[C@H](c2ccc(OC)cc2)C(C(=O)Nc2ccccc2)=C(C)N=3)c(C)n1	ZINC000252675067	572279002	/nfs/dbraw/zinc/27/90/02/572279002.db2.gz	SVPIUUPRWBSTLW-RUZDIDTESA-N	0	0	513.623	3.407	50	0		KGAARN
CCn1cc(C=c2sc3n(c2=O)[C@@H](c2ccc(OC)cc2)C(C(=O)Nc2ccccc2)=C(C)N=3)c(C)n1	ZINC000252675068	572278986	/nfs/dbraw/zinc/27/89/86/572278986.db2.gz	SVPIUUPRWBSTLW-VWLOTQADSA-N	0	0	513.623	3.407	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(Br)c(O)c(OC)c3)c(=O)n2[C@@H]1c1cc(OC)ccc1OC	ZINC000252675310	572279013	/nfs/dbraw/zinc/27/90/13/572279013.db2.gz	SZHZTEUGEGBSJR-JOCHJYFZSA-N	0	0	589.464	3.292	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(Br)c(O)c(OC)c3)c(=O)n2[C@H]1c1cc(OC)ccc1OC	ZINC000252675311	572278920	/nfs/dbraw/zinc/27/89/20/572278920.db2.gz	SZHZTEUGEGBSJR-QFIPXVFZSA-N	0	0	589.464	3.292	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2sc(=Cc3cccc(OC)c3)c(=O)n2[C@H]1c1ccc(OC)c(OCC)c1	ZINC000252675520	572279177	/nfs/dbraw/zinc/27/91/77/572279177.db2.gz	UGKSRLBHVIPHLE-DEOSSOPVSA-N	0	0	508.596	3.214	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2sc(=Cc3cccc(OC)c3)c(=O)n2[C@@H]1c1ccc(OC)c(OCC)c1	ZINC000252675521	572279239	/nfs/dbraw/zinc/27/92/39/572279239.db2.gz	UGKSRLBHVIPHLE-XMMPIXPASA-N	0	0	508.596	3.214	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(I)c(O)c(OC)c3)c(=O)n2[C@@H]1c1cccs1	ZINC000252675642	572279279	/nfs/dbraw/zinc/27/92/79/572279279.db2.gz	UOQLHWUVPHZXHQ-GOSISDBHSA-N	0	0	582.441	3.179	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(I)c(O)c(OC)c3)c(=O)n2[C@H]1c1cccs1	ZINC000252675643	572279345	/nfs/dbraw/zinc/27/93/45/572279345.db2.gz	UOQLHWUVPHZXHQ-SFHVURJKSA-N	0	0	582.441	3.179	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(Br)c(O)c(OC)c3)c(=O)n2[C@H]1c1cccc(OC)c1	ZINC000252675647	572279251	/nfs/dbraw/zinc/27/92/51/572279251.db2.gz	UPHOQMBMPCKAGK-NRFANRHFSA-N	0	0	559.438	3.284	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(Br)c(O)c(OC)c3)c(=O)n2[C@@H]1c1cccc(OC)c1	ZINC000252675648	572279271	/nfs/dbraw/zinc/27/92/71/572279271.db2.gz	UPHOQMBMPCKAGK-OAQYLSRUSA-N	0	0	559.438	3.284	50	0		KGAARN
COC(=O)C1=C(C)N=c2sc(=Cc3cccc(I)c3)c(=O)n2[C@H]1c1ccccc1	ZINC000252675659	572279289	/nfs/dbraw/zinc/27/92/89/572279289.db2.gz	UPVYSQMHZDOTOZ-IBGZPJMESA-N	0	0	516.360	3.013	50	0		KGAARN
COC(=O)C1=C(C)N=c2sc(=Cc3cccc(I)c3)c(=O)n2[C@@H]1c1ccccc1	ZINC000252675660	572279326	/nfs/dbraw/zinc/27/93/26/572279326.db2.gz	UPVYSQMHZDOTOZ-LJQANCHMSA-N	0	0	516.360	3.013	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(Br)cc3)c(=O)n2[C@@H]1c1ccc(OC(C)=O)cc1	ZINC000252675710	572279429	/nfs/dbraw/zinc/27/94/29/572279429.db2.gz	UUQPIUOHSCBRME-JOCHJYFZSA-N	0	0	541.423	3.486	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(Br)cc3)c(=O)n2[C@H]1c1ccc(OC(C)=O)cc1	ZINC000252675711	572279414	/nfs/dbraw/zinc/27/94/14/572279414.db2.gz	UUQPIUOHSCBRME-QFIPXVFZSA-N	0	0	541.423	3.486	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(Br)c(O)c(OC)c3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2	ZINC000252675715	572279379	/nfs/dbraw/zinc/27/93/79/572279379.db2.gz	UUZZMALLUJUAHE-NRFANRHFSA-N	0	0	573.421	3.004	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(Br)c(O)c(OC)c3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2	ZINC000252675716	572279408	/nfs/dbraw/zinc/27/94/08/572279408.db2.gz	UUZZMALLUJUAHE-OAQYLSRUSA-N	0	0	573.421	3.004	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2sc(=Cc3c[nH]c4ccccc34)c(=O)n2[C@H]1c1ccc(OC)cc1OC	ZINC000252675766	572279461	/nfs/dbraw/zinc/27/94/61/572279461.db2.gz	VAFSANMHPPZMGH-DEOSSOPVSA-N	0	0	503.580	3.297	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2sc(=Cc3c[nH]c4ccccc34)c(=O)n2[C@@H]1c1ccc(OC)cc1OC	ZINC000252675767	572279450	/nfs/dbraw/zinc/27/94/50/572279450.db2.gz	VAFSANMHPPZMGH-XMMPIXPASA-N	0	0	503.580	3.297	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2sc(=Cc3c[nH]c4ccccc34)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1	ZINC000252675841	572279475	/nfs/dbraw/zinc/27/94/75/572279475.db2.gz	VGFMBYQFBVASDQ-DEOSSOPVSA-N	0	0	503.580	3.297	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2sc(=Cc3c[nH]c4ccccc34)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1	ZINC000252675842	572279492	/nfs/dbraw/zinc/27/94/92/572279492.db2.gz	VGFMBYQFBVASDQ-XMMPIXPASA-N	0	0	503.580	3.297	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2sc(=Cc3cccc(O)c3)c(=O)n2[C@@H]1c1cc(Br)c(OC)cc1OC	ZINC000252675929	572279678	/nfs/dbraw/zinc/27/96/78/572279678.db2.gz	VLTRCYIGAHAPGP-JOCHJYFZSA-N	0	0	559.438	3.284	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2sc(=Cc3cccc(O)c3)c(=O)n2[C@H]1c1cc(Br)c(OC)cc1OC	ZINC000252675930	572279614	/nfs/dbraw/zinc/27/96/14/572279614.db2.gz	VLTRCYIGAHAPGP-QFIPXVFZSA-N	0	0	559.438	3.284	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(N(C)C)o3)c(=O)n2[C@H]1c1ccc(Br)cc1	ZINC000252675974	572279618	/nfs/dbraw/zinc/27/96/18/572279618.db2.gz	VPZXHCBNLYPIOC-FQEVSTJZSA-N	0	0	516.417	3.220	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(N(C)C)o3)c(=O)n2[C@@H]1c1ccc(Br)cc1	ZINC000252675975	572279599	/nfs/dbraw/zinc/27/95/99/572279599.db2.gz	VPZXHCBNLYPIOC-HXUWFJFHSA-N	0	0	516.417	3.220	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(I)c(O)c(OC)c3)c(=O)n2[C@@H]1c1cc(OC)ccc1OC	ZINC000252676043	572279759	/nfs/dbraw/zinc/27/97/59/572279759.db2.gz	VUWVMMKIILUQEQ-JOCHJYFZSA-N	0	0	636.464	3.134	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(I)c(O)c(OC)c3)c(=O)n2[C@H]1c1cc(OC)ccc1OC	ZINC000252676044	572279791	/nfs/dbraw/zinc/27/97/91/572279791.db2.gz	VUWVMMKIILUQEQ-QFIPXVFZSA-N	0	0	636.464	3.134	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(Br)cc3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2	ZINC000252676107	572279804	/nfs/dbraw/zinc/27/98/04/572279804.db2.gz	VZUIUXXPUZBZDC-NRFANRHFSA-N	0	0	527.396	3.290	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(Br)cc3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2	ZINC000252676108	572279841	/nfs/dbraw/zinc/27/98/41/572279841.db2.gz	VZUIUXXPUZBZDC-OAQYLSRUSA-N	0	0	527.396	3.290	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(OC)ccc3OC)c(=O)n2[C@H]1c1ccccc1OCC	ZINC000252676293	572279948	/nfs/dbraw/zinc/27/99/48/572279948.db2.gz	WRAFILZIMLFCKH-DEOSSOPVSA-N	0	0	508.596	3.214	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(OC)ccc3OC)c(=O)n2[C@@H]1c1ccccc1OCC	ZINC000252676294	572280000	/nfs/dbraw/zinc/28/00/00/572280000.db2.gz	WRAFILZIMLFCKH-XMMPIXPASA-N	0	0	508.596	3.214	50	0		KGAARN
CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3ccc4c(c3)OCCO4)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2	ZINC000252676299	572279961	/nfs/dbraw/zinc/27/99/61/572279961.db2.gz	WRVKQMKLHZFGRH-MUUNZHRXSA-N	0	0	568.607	3.436	50	0		KGAARN
CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3ccc4c(c3)OCCO4)c(=O)n2[C@H]1c1ccc2c(c1)OCO2	ZINC000252676300	572279975	/nfs/dbraw/zinc/27/99/75/572279975.db2.gz	WRVKQMKLHZFGRH-NDEPHWFRSA-N	0	0	568.607	3.436	50	0		KGAARN
CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3cc(OC)c(O)c(OC)c3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2	ZINC000252676447	572280233	/nfs/dbraw/zinc/28/02/33/572280233.db2.gz	XCOGTEDZJXWNIR-HHHXNRCGSA-N	0	0	586.622	3.387	50	0		KGAARN
CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3cc(OC)c(O)c(OC)c3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2	ZINC000252676448	572280134	/nfs/dbraw/zinc/28/01/34/572280134.db2.gz	XCOGTEDZJXWNIR-MHZLTWQESA-N	0	0	586.622	3.387	50	0		KGAARN
COc1ccc([C@@H]2C(C(=O)Nc3ccccc3C)=C(C)N=c3sc(=Cc4cnn(C)c4C)c(=O)n32)cc1	ZINC000252676458	572280151	/nfs/dbraw/zinc/28/01/51/572280151.db2.gz	XDLPWPGHEXPZHD-RUZDIDTESA-N	0	0	513.623	3.233	50	0		KGAARN
COc1ccc([C@H]2C(C(=O)Nc3ccccc3C)=C(C)N=c3sc(=Cc4cnn(C)c4C)c(=O)n32)cc1	ZINC000252676459	572280229	/nfs/dbraw/zinc/28/02/29/572280229.db2.gz	XDLPWPGHEXPZHD-VWLOTQADSA-N	0	0	513.623	3.233	50	0		KGAARN
COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3sc(=C4C(=O)Nc5ccccc54)c(=O)n32)c(OC)c1	ZINC000252676545	572280322	/nfs/dbraw/zinc/28/03/22/572280322.db2.gz	XKGCASCABXIEAL-RUZDIDTESA-N	0	0	552.612	3.213	50	0		KGAARN
COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3sc(=C4C(=O)Nc5ccccc54)c(=O)n32)c(OC)c1	ZINC000252676546	572280269	/nfs/dbraw/zinc/28/02/69/572280269.db2.gz	XKGCASCABXIEAL-VWLOTQADSA-N	0	0	552.612	3.213	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(N4CCOCC4)o3)c(=O)n2[C@H]1c1cc(OC)c(OC)cc1Br	ZINC000252676616	572280423	/nfs/dbraw/zinc/28/04/23/572280423.db2.gz	XPPIPUBTYDZEFN-DEOSSOPVSA-N	0	0	618.506	3.008	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(N4CCOCC4)o3)c(=O)n2[C@@H]1c1cc(OC)c(OC)cc1Br	ZINC000252676617	572280409	/nfs/dbraw/zinc/28/04/09/572280409.db2.gz	XPPIPUBTYDZEFN-XMMPIXPASA-N	0	0	618.506	3.008	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(O)c(OC)c3)c(=O)n2[C@H]1c1ccc(OC(C)C)cc1	ZINC000252676885	572280418	/nfs/dbraw/zinc/28/04/18/572280418.db2.gz	XTHQRZBCJQNVMF-DEOSSOPVSA-N	0	0	508.596	3.300	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(O)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OC(C)C)cc1	ZINC000252676886	572280440	/nfs/dbraw/zinc/28/04/40/572280440.db2.gz	XTHQRZBCJQNVMF-XMMPIXPASA-N	0	0	508.596	3.300	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(Br)c(OCC(N)=O)c(OCC)c3)c(=O)n2[C@@H]1c1ccc(C)c(OC)c1	ZINC000252676952	572280508	/nfs/dbraw/zinc/28/05/08/572280508.db2.gz	XYXBGMZEQPXFAC-RUZDIDTESA-N	0	0	644.544	3.141	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(Br)c(OCC(N)=O)c(OCC)c3)c(=O)n2[C@H]1c1ccc(C)c(OC)c1	ZINC000252676953	572280534	/nfs/dbraw/zinc/28/05/34/572280534.db2.gz	XYXBGMZEQPXFAC-VWLOTQADSA-N	0	0	644.544	3.141	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(OC)cc3C)c(=O)n2[C@H]1c1cc(OC)ccc1OC	ZINC000252677087	572280545	/nfs/dbraw/zinc/28/05/45/572280545.db2.gz	YCCDTYPNRKPNRK-DEOSSOPVSA-N	0	0	508.596	3.133	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(OC)cc3C)c(=O)n2[C@@H]1c1cc(OC)ccc1OC	ZINC000252677088	572280548	/nfs/dbraw/zinc/28/05/48/572280548.db2.gz	YCCDTYPNRKPNRK-XMMPIXPASA-N	0	0	508.596	3.133	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(OC)c(O)cc3Br)c(=O)n2[C@@H]1c1ccc(OC)cc1	ZINC000252677096	572280542	/nfs/dbraw/zinc/28/05/42/572280542.db2.gz	YCQSLIUBEUQTGM-JOCHJYFZSA-N	0	0	559.438	3.284	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(OC)c(O)cc3Br)c(=O)n2[C@H]1c1ccc(OC)cc1	ZINC000252677097	572280546	/nfs/dbraw/zinc/28/05/46/572280546.db2.gz	YCQSLIUBEUQTGM-QFIPXVFZSA-N	0	0	559.438	3.284	50	0		KGAARN
CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3ccc(N4CCOCC4)o3)c(=O)n2[C@@H]1c1cccc(OC)c1	ZINC000252677240	572280658	/nfs/dbraw/zinc/28/06/58/572280658.db2.gz	YGUMHMBRZBQAEE-MUUNZHRXSA-N	0	0	571.655	3.374	50	0		KGAARN
CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3ccc(N4CCOCC4)o3)c(=O)n2[C@H]1c1cccc(OC)c1	ZINC000252677243	572280647	/nfs/dbraw/zinc/28/06/47/572280647.db2.gz	YGUMHMBRZBQAEE-NDEPHWFRSA-N	0	0	571.655	3.374	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(Br)o3)c(=O)n2[C@H]1c1ccc(OC)cc1OC	ZINC000252677317	572280657	/nfs/dbraw/zinc/28/06/57/572280657.db2.gz	YIOPETPUYALCTI-FQEVSTJZSA-N	0	0	533.400	3.171	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(Br)o3)c(=O)n2[C@@H]1c1ccc(OC)cc1OC	ZINC000252677318	572280666	/nfs/dbraw/zinc/28/06/66/572280666.db2.gz	YIOPETPUYALCTI-HXUWFJFHSA-N	0	0	533.400	3.171	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(N4CCCCC4)o3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2	ZINC000252677425	572280755	/nfs/dbraw/zinc/28/07/55/572280755.db2.gz	YRLGGQGBRXSHAV-DEOSSOPVSA-N	0	0	521.595	3.110	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(N4CCCCC4)o3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2	ZINC000252677426	572280770	/nfs/dbraw/zinc/28/07/70/572280770.db2.gz	YRLGGQGBRXSHAV-XMMPIXPASA-N	0	0	521.595	3.110	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(Cl)ccc3O)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1	ZINC000252677449	562881784	/nfs/dbraw/zinc/88/17/84/562881784.db2.gz	YUDZXVUFZMRTQX-JOCHJYFZSA-N	0	0	514.987	3.175	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(Cl)ccc3O)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1	ZINC000252677450	562881777	/nfs/dbraw/zinc/88/17/77/562881777.db2.gz	YUDZXVUFZMRTQX-QFIPXVFZSA-N	0	0	514.987	3.175	50	0		KGAARN
COc1ccc([C@@H]2C(C(=O)Nc3ccccc3C)=C(C)N=c3sc(=Cc4cn(C)nc4C)c(=O)n32)cc1	ZINC000252677557	572281002	/nfs/dbraw/zinc/28/10/02/572281002.db2.gz	ZCTZCNVCMYKCLY-RUZDIDTESA-N	0	0	513.623	3.233	50	0		KGAARN
COc1ccc([C@H]2C(C(=O)Nc3ccccc3C)=C(C)N=c3sc(=Cc4cn(C)nc4C)c(=O)n32)cc1	ZINC000252677558	572280949	/nfs/dbraw/zinc/28/09/49/572280949.db2.gz	ZCTZCNVCMYKCLY-VWLOTQADSA-N	0	0	513.623	3.233	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(I)c(O)c(OCC)c3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2	ZINC000252677605	572280981	/nfs/dbraw/zinc/28/09/81/572280981.db2.gz	ZGOZXYGLUYDAGO-JOCHJYFZSA-N	0	0	634.448	3.236	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(I)c(O)c(OCC)c3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2	ZINC000252677606	572281021	/nfs/dbraw/zinc/28/10/21/572281021.db2.gz	ZGOZXYGLUYDAGO-QFIPXVFZSA-N	0	0	634.448	3.236	50	0		KGAARN
CC[C@H](C)[C@H](NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@@H]2c3ccccc3C(=O)N21)C(=O)NC[C@H]1CCCO1	ZINC000252694548	562881791	/nfs/dbraw/zinc/88/17/91/562881791.db2.gz	LZHWTBSLFVCYEU-KGFZLFHBSA-N	0	0	514.626	3.464	50	0		KGAARN
CCCCCCOc1ccc(O[C@@H]2O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]2OC(C)=O)cc1	ZINC000252694941	572281825	/nfs/dbraw/zinc/28/18/25/572281825.db2.gz	SAIBZJRVPYUMMD-ZFXZZAOISA-N	0	0	524.563	3.108	50	0		KGAARN
CO[C@@H]1O[C@@H]2CO[C@H](c3ccccc3)O[C@@H]2[C@H](OC(=O)CNC(=O)OCc2ccccc2)[C@H]1OC(=O)CNC(=O)OCc1ccccc1	ZINC000253387712	572282658	/nfs/dbraw/zinc/28/26/58/572282658.db2.gz	AVUMCTHORAUSFM-BGMFIKFPSA-N	0	0	664.664	3.148	50	0		KGAARN
CO[C@@H]1O[C@@H]2CO[C@H](c3ccccc3)O[C@@H]2[C@@H](OC(=O)CNC(=O)OCc2ccccc2)[C@H]1OC(=O)CNC(=O)OCc1ccccc1	ZINC000253387713	572282630	/nfs/dbraw/zinc/28/26/30/572282630.db2.gz	AVUMCTHORAUSFM-QWKOJYGNSA-N	0	0	664.664	3.148	50	0		KGAARN
CC[C@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](CC(C)C)C(=O)OCC(=O)c1ccccc1	ZINC000253387729	572282652	/nfs/dbraw/zinc/28/26/52/572282652.db2.gz	FLGUSIZTJGBZSZ-OLAVNICZSA-N	0	0	624.735	3.035	50	0		KGAARN
CC[C@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)OCC(=O)c1ccccc1	ZINC000253387730	572282636	/nfs/dbraw/zinc/28/26/36/572282636.db2.gz	FLGUSIZTJGBZSZ-PQOWZJEGSA-N	0	0	624.735	3.035	50	0		KGAARN
CSCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](CCC(=O)OC(C)(C)C)C(=O)N[C@H](CCCNC(N)=[NH2+])C(=O)[O-]	ZINC000253387736	572282671	/nfs/dbraw/zinc/28/26/71/572282671.db2.gz	GCQCHPCDHYWFIR-HZFUHODCSA-N	0	0	712.870	3.086	50	0		KGAARN
CSCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H](CCC(=O)OC(C)(C)C)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)[O-]	ZINC000253387737	572282645	/nfs/dbraw/zinc/28/26/45/572282645.db2.gz	GCQCHPCDHYWFIR-PKTNWEFCSA-N	0	0	712.870	3.086	50	0		KGAARN
CC1(C)O[C@@H]2O[C@H]([C@H](COC(=O)CNC(=O)OCc3ccccc3)OC(=O)CNC(=O)OCc3ccccc3)[C@H](OC(=O)CNC(=O)OCc3ccccc3)[C@@H]2O1	ZINC000253387818	572282814	/nfs/dbraw/zinc/28/28/14/572282814.db2.gz	UWNHGNFQFGCESF-IOUFKMDGSA-N	0	0	793.779	3.009	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)c3cccc(F)c3)[C@@H](C)C2)N(C)C(=O)N[C@H]1c1cc(OC)cc(OC)c1	ZINC000253389355	572283345	/nfs/dbraw/zinc/28/33/45/572283345.db2.gz	BSLQKXZKLBGHSY-QYBDOPJKSA-N	0	0	554.619	3.203	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)NC(C)(C)C)[C@@H](C)C2)N(CC)C(=O)N[C@H]1c1cccc(F)c1	ZINC000253389363	572283339	/nfs/dbraw/zinc/28/33/39/572283339.db2.gz	FJGXFQJLEIXJDM-JTSKRJEESA-N	0	0	503.619	3.243	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)c3ccccc3F)[C@@H](C)C2)N(C)C(=O)N[C@H]1c1cc(OC)cc(OC)c1	ZINC000253389370	572283353	/nfs/dbraw/zinc/28/33/53/572283353.db2.gz	IANFOYUXCMZKHM-QYBDOPJKSA-N	0	0	554.619	3.203	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(S(=O)(=O)c3ccccc3)[C@@H](C)C2)N(CC)C(=O)N[C@H]1c1ccccc1F	ZINC000253389641	572283380	/nfs/dbraw/zinc/28/33/80/572283380.db2.gz	HAIQQZDGRDGUJM-DFBJGRDBSA-N	0	0	544.649	3.124	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)NC(C)(C)C)[C@@H](C)C2)N(CC)C(=O)N[C@H]1c1ccc(OC)cc1	ZINC000253389653	572283417	/nfs/dbraw/zinc/28/34/17/572283417.db2.gz	LBQQQKIHPMKYMJ-MBSDFSHPSA-N	0	0	515.655	3.113	50	0		KGAARN
CCOC(=O)C1=C(CN2CCN(C(=O)c3ccccc3)[C@@H](C)C2)N(CC)C(=O)N[C@H]1c1cccc(OC)c1	ZINC000253389677	572283376	/nfs/dbraw/zinc/28/33/76/572283376.db2.gz	YMFKFHMXLNZPAQ-FNZWTVRRSA-N	0	0	520.630	3.445	50	0		KGAARN
COc1ccc(C(OC[C@@H]2O[C@@H]3[C@@H](Oc4nc(=O)ccn43)[C@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1	ZINC000253390157	1060006140	/nfs/dbraw/zinc/00/61/40/1060006140.db2.gz	OEIRLWHCGAICDW-KZZMTEEBSA-N	0	0	528.561	3.289	50	0		KGAARN
CC(=O)OC[C@@H]1O[C@@H](SC2=N/C(=C\c3ccccc3)C(=O)N2c2ccccc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000253390353	572283620	/nfs/dbraw/zinc/28/36/20/572283620.db2.gz	AKCZYLVRRRRJPS-CSAHRYFFSA-N	0	0	610.641	3.247	50	0		KGAARN
CC(=O)OC[C@@H]1O[C@@H](SC2=N/C(=C\c3ccccc3)C(=O)N2c2ccccc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	ZINC000253390356	572283613	/nfs/dbraw/zinc/28/36/13/572283613.db2.gz	AKCZYLVRRRRJPS-KHSDUYGZSA-N	0	0	610.641	3.247	50	0		KGAARN
CC(=O)OC[C@@H]1O[C@@H](SC2=N/C(=C\c3ccccc3)C(=O)N2c2ccccc2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O	ZINC000253390357	572283615	/nfs/dbraw/zinc/28/36/15/572283615.db2.gz	AKCZYLVRRRRJPS-ZBWHQWOHSA-N	0	0	610.641	3.247	50	0		KGAARN
CC(=O)OC[C@@H]1O[C@@H](SC2=N/C(=C\c3cccs3)C(=O)N2c2ccccc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000253390359	572283626	/nfs/dbraw/zinc/28/36/26/572283626.db2.gz	FPRYYLFGRJZXPA-IXSKWGFJSA-N	0	0	616.670	3.308	50	0		KGAARN
CC(=O)OC[C@@H]1O[C@@H](SC2=N/C(=C\c3cccs3)C(=O)N2c2ccccc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	ZINC000253390363	572283635	/nfs/dbraw/zinc/28/36/35/572283635.db2.gz	FPRYYLFGRJZXPA-PVFJPQMCSA-N	0	0	616.670	3.308	50	0		KGAARN
CC(=O)OC[C@@H]1O[C@@H](SC2=N/C(=C\c3cccs3)C(=O)N2c2ccccc2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O	ZINC000253390365	572283627	/nfs/dbraw/zinc/28/36/27/572283627.db2.gz	FPRYYLFGRJZXPA-UJESNYOZSA-N	0	0	616.670	3.308	50	0		KGAARN
COc1ccc(N2C(=O)/C(=C/c3cccs3)N=C2S[C@@H]2O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]2OC(C)=O)cc1	ZINC000253390382	562881837	/nfs/dbraw/zinc/88/18/37/562881837.db2.gz	KQCLFDVDJZCTSY-AMUJWAFTSA-N	0	0	646.696	3.317	50	0		KGAARN
COc1ccc(N2C(=O)/C(=C/c3cccs3)N=C2S[C@@H]2O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]2OC(C)=O)cc1	ZINC000253390384	562881819	/nfs/dbraw/zinc/88/18/19/562881819.db2.gz	KQCLFDVDJZCTSY-KDVJKNNISA-N	0	0	646.696	3.317	50	0		KGAARN
COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](C)C(=O)Nc3cccc(-c4nnn(C)n4)c3)c(=O)cc1[C@@H](NC(C)=O)CC2	ZINC000253394385	572283716	/nfs/dbraw/zinc/28/37/16/572283716.db2.gz	ACHSOLBIGWGKKJ-XDHUDOTRSA-N	0	0	613.675	3.493	50	0		KGAARN
COC(=O)CCNC(=O)[C@H](CCSC)Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2	ZINC000253394709	572283720	/nfs/dbraw/zinc/28/37/20/572283720.db2.gz	AFMHWUZPOIHVRI-GMAHTHKFSA-N	0	0	601.722	3.076	50	0		KGAARN
COc1cc2c(c(OC)c1OC)-c1ccc(NCCCC(=O)Nc3ccn(C)n3)c(=O)cc1[C@@H](NC(C)=O)CC2	ZINC000253397308	572284328	/nfs/dbraw/zinc/28/43/28/572284328.db2.gz	BJYAAXSFVVKXFR-NRFANRHFSA-N	0	0	549.628	3.427	50	0		KGAARN
COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](CCSC)C(=O)N3CCOCC3)c(=O)cc1[C@@H](NC(C)=O)CC2	ZINC000253397528	572284249	/nfs/dbraw/zinc/28/42/49/572284249.db2.gz	BMFNSSAVBUCPHG-UPVQGACJSA-N	0	0	585.723	3.255	50	0		KGAARN
COC(=O)[C@H](CCSC)NC(=O)[C@H](C)Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2	ZINC000253399336	572284734	/nfs/dbraw/zinc/28/47/34/572284734.db2.gz	CVMVJWJNMJULBS-YROCYRMSSA-N	0	0	601.722	3.074	50	0		KGAARN
COc1cc2c(c(OC)c1OC)-c1ccc(N[C@H](C(=O)NCCCN3CCOCC3)C(C)C)c(=O)cc1[C@@H](NC(C)=O)CC2	ZINC000253399892	572284792	/nfs/dbraw/zinc/28/47/92/572284792.db2.gz	DKCIWJYPHAOZBA-QCDSWUKFSA-N	0	0	610.752	3.138	50	0		KGAARN
O=c1cc(CN2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)oc(CN2CCN(Cc3ccccc3Cl)CC2)c1O	ZINC000253400616	572285018	/nfs/dbraw/zinc/28/50/18/572285018.db2.gz	FASDYCSTEDYWDX-IRLDBZIGSA-N	0	0	537.060	3.098	50	0		KGAARN
COC(=O)CCCNC(=O)CCCNc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2	ZINC000253400953	572285201	/nfs/dbraw/zinc/28/52/01/572285201.db2.gz	FGOUWXMULCASKF-QFIPXVFZSA-N	0	0	569.655	3.125	50	0		KGAARN
COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CCCC(=O)N3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)[C@@H]21	ZINC000253401067	572285213	/nfs/dbraw/zinc/28/52/13/572285213.db2.gz	FIRPFRNATGRWRG-QMQXECRNSA-N	0	0	568.630	3.406	50	0		KGAARN
COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CCCC(=O)N3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)[C@H]21	ZINC000253401071	572285178	/nfs/dbraw/zinc/28/51/78/572285178.db2.gz	FIRPFRNATGRWRG-WMUWJOOSSA-N	0	0	568.630	3.406	50	0		KGAARN
COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](CCSC)C(=O)NCCCN3CCOCC3)c(=O)cc1[C@@H](NC(C)=O)CC2	ZINC000253401246	572285193	/nfs/dbraw/zinc/28/51/93/572285193.db2.gz	FLPQYJGOFHDAHX-BDYUSTAISA-N	0	0	642.819	3.235	50	0		KGAARN
CC[C@@H](C)[C@H](NC(=O)[C@H](C)Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)OC	ZINC000253401252	572285192	/nfs/dbraw/zinc/28/51/92/572285192.db2.gz	FMCRXKIUGCXQQC-DQPUOBMGSA-N	0	0	583.682	3.367	50	0		KGAARN
COc1cc2c(c(OC)c1OC)-c1ccc(N[C@H](C(=O)NCCn3cccn3)C(C)C)c(=O)cc1[C@@H](NC(C)=O)CC2	ZINC000253402700	572285466	/nfs/dbraw/zinc/28/54/66/572285466.db2.gz	GPJIZSHIGMZKPJ-FIPFOOKPSA-N	0	0	577.682	3.312	50	0		KGAARN
COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CCC(=O)N3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)[C@@H]21	ZINC000253403906	572285969	/nfs/dbraw/zinc/28/59/69/572285969.db2.gz	HOEQSKLDLWIEGT-RMYSCLOFSA-N	0	0	554.603	3.016	50	0		KGAARN
COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CCC(=O)N3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)[C@H]21	ZINC000253403908	572285927	/nfs/dbraw/zinc/28/59/27/572285927.db2.gz	HOEQSKLDLWIEGT-ZPJKGSQLSA-N	0	0	554.603	3.016	50	0		KGAARN
COC(=O)CCNC(=O)[C@H](CC(C)C)Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2	ZINC000253403911	572285958	/nfs/dbraw/zinc/28/59/58/572285958.db2.gz	HOFLRMFCFIGSNR-UPVQGACJSA-N	0	0	583.682	3.369	50	0		KGAARN
COC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2	ZINC000253406722	572286366	/nfs/dbraw/zinc/28/63/66/572286366.db2.gz	JDZGRSUAPCXYEM-OWSXEPHWSA-N	0	0	583.682	3.367	50	0		KGAARN
COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](C)C(=O)NCCc3ccccn3)c(=O)cc1[C@@H](NC(C)=O)CC2	ZINC000253407676	572286908	/nfs/dbraw/zinc/28/69/08/572286908.db2.gz	KAZFKDBYWYUWBT-UUOWRZLLSA-N	0	0	560.651	3.417	50	0		KGAARN
COc1cc2c(c(OC)c1OC)-c1ccc(N[C@H](C(=O)NCCn3ccnc3)C(C)C)c(=O)cc1[C@@H](NC(C)=O)CC2	ZINC000253409055	572287002	/nfs/dbraw/zinc/28/70/02/572287002.db2.gz	LILGUANWHZEDKL-FIPFOOKPSA-N	0	0	577.682	3.312	50	0		KGAARN
CC[C@@H](C)[C@H](Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)NCCCO	ZINC000253409214	572287176	/nfs/dbraw/zinc/28/71/76/572287176.db2.gz	LNYDMLQGXOGIFN-DCMIEBIUSA-N	0	0	555.672	3.188	50	0		KGAARN
CC[C@@H](C)[C@H](Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)N1CCN(C)CC1	ZINC000253409742	572287187	/nfs/dbraw/zinc/28/71/87/572287187.db2.gz	MIIUNLIPEFFZSW-CHNYNYQGSA-N	0	0	580.726	3.464	50	0		KGAARN
COC(=O)CCCNC(=O)[C@H](CCSC)Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2	ZINC000253410257	572287336	/nfs/dbraw/zinc/28/73/36/572287336.db2.gz	NBMKPCAGCJBIDU-UPVQGACJSA-N	0	0	615.749	3.466	50	0		KGAARN
COC(=O)CNC(=O)CCCCCNc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2	ZINC000253411455	572287487	/nfs/dbraw/zinc/28/74/87/572287487.db2.gz	OQAPPLFCAZUAMY-QFIPXVFZSA-N	0	0	569.655	3.125	50	0		KGAARN
COC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2	ZINC000253412096	572287946	/nfs/dbraw/zinc/28/79/46/572287946.db2.gz	PVNPBACMRJZWEH-OWSXEPHWSA-N	0	0	583.682	3.367	50	0		KGAARN
COC(=O)[C@H](C)NC(=O)[C@H](CCSC)Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2	ZINC000253412273	572287951	/nfs/dbraw/zinc/28/79/51/572287951.db2.gz	QKYMKDOHBLWSEL-YROCYRMSSA-N	0	0	601.722	3.074	50	0		KGAARN
COC(=O)CCCNC(=O)[C@@H](Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(C)C	ZINC000253412481	572288096	/nfs/dbraw/zinc/28/80/96/572288096.db2.gz	RCZHZRZBILOAKM-DWACAAAGSA-N	0	0	583.682	3.369	50	0		KGAARN
CC[C@@H](C)[C@H](Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)NCCN1CCOCC1	ZINC000253412521	572288067	/nfs/dbraw/zinc/28/80/67/572288067.db2.gz	RGHCLLCINIRVHU-MOXKEGGMSA-N	0	0	610.752	3.138	50	0		KGAARN
COC(=O)C1CCN(C(=O)[C@H](C)Nc2ccc3c(cc2=O)[C@@H](NC(C)=O)CCc2cc(OC)c(OC)c(OC)c2-3)CC1	ZINC000253412528	572288063	/nfs/dbraw/zinc/28/80/63/572288063.db2.gz	RGTRNUSGMWSLPM-SBUREZEXSA-N	0	0	581.666	3.075	50	0		KGAARN
COC(=O)C1CCN(C(=O)CCCNc2ccc3c(cc2=O)[C@@H](NC(C)=O)CCc2cc(OC)c(OC)c(OC)c2-3)CC1	ZINC000253412559	572288118	/nfs/dbraw/zinc/28/81/18/572288118.db2.gz	RJTOUTCMWJSBGA-DEOSSOPVSA-N	0	0	595.693	3.467	50	0		KGAARN
COC(=O)[C@@H](NC(=O)CCCNc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(C)C	ZINC000253412587	572287972	/nfs/dbraw/zinc/28/79/72/572287972.db2.gz	RLAATJLKZLDHKY-DWACAAAGSA-N	0	0	583.682	3.369	50	0		KGAARN
COCCCNC(=O)[C@@H](Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(C)C	ZINC000253413011	572288399	/nfs/dbraw/zinc/28/83/99/572288399.db2.gz	STBKDNCPRRVXIZ-CUNXSJBXSA-N	0	0	555.672	3.452	50	0		KGAARN
COC(=O)[C@H](CCSC)NC(=O)CCCNc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2	ZINC000253413209	572288381	/nfs/dbraw/zinc/28/83/81/572288381.db2.gz	UDLDUKCHVHXFRA-UPVQGACJSA-N	0	0	615.749	3.466	50	0		KGAARN
COc1cc2c(c(OC)c1OC)-c1ccc(N[C@H](C(=O)NCCNc3ncccn3)C(C)C)c(=O)cc1[C@@H](NC(C)=O)CC2	ZINC000253413721	572288526	/nfs/dbraw/zinc/28/85/26/572288526.db2.gz	VNOTVVGONPZJBD-FIPFOOKPSA-N	0	0	604.708	3.318	50	0		KGAARN
CC[C@H](C)[C@H](Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)N[C@@H](C)C(=O)OC	ZINC000253413750	572288506	/nfs/dbraw/zinc/28/85/06/572288506.db2.gz	VPBKAJGDYWJODK-XUWYLJCMSA-N	0	0	583.682	3.367	50	0		KGAARN
COC(=O)C[C@@H](c1ccc2c(c1)n(C)c(=O)n2C)c1c(O)cc(C)n(CCc2c[nH]c3ccccc23)c1=O	ZINC000253414352	572288889	/nfs/dbraw/zinc/28/88/89/572288889.db2.gz	XFRVFESOPZAJPH-NRFANRHFSA-N	0	0	514.582	3.472	50	0		KGAARN
COC(=O)C[C@H](c1ccc2c(c1)n(C)c(=O)n2C)c1c(O)cc(C)n(CCc2c[nH]c3ccccc23)c1=O	ZINC000253414353	572288789	/nfs/dbraw/zinc/28/87/89/572288789.db2.gz	XFRVFESOPZAJPH-OAQYLSRUSA-N	0	0	514.582	3.472	50	0		KGAARN
CC[C@@H](C)[C@H](Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)NCCOC	ZINC000253414396	572288930	/nfs/dbraw/zinc/28/89/30/572288930.db2.gz	XJNSFUVATOOXPC-DCMIEBIUSA-N	0	0	555.672	3.452	50	0		KGAARN
COCCNC(=O)[C@H](CCSC)Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2	ZINC000253414654	572289047	/nfs/dbraw/zinc/28/90/47/572289047.db2.gz	YCLRXILNNZIFNM-GMAHTHKFSA-N	0	0	573.712	3.159	50	0		KGAARN
COc1cc2c(c(OC)c1OC)-c1ccc(NCCCC(=O)Nc3cnn(C)c3)c(=O)cc1[C@@H](NC(C)=O)CC2	ZINC000253414679	572288950	/nfs/dbraw/zinc/28/89/50/572288950.db2.gz	YEXREZXFYNOQRJ-QFIPXVFZSA-N	0	0	549.628	3.427	50	0		KGAARN
COc1cc(-n2cc(C(=O)N3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)c3ccccc3c2=O)cc(OC)c1OC	ZINC000253414706	572289031	/nfs/dbraw/zinc/28/90/31/572289031.db2.gz	YHKLEOFQEKTBHP-MOPGFXCFSA-N	0	0	527.577	3.438	50	0		KGAARN
COc1cc2c(c(OC)c1OC)-c1ccc(NCCCC(=O)NCCNc3ncccn3)c(=O)cc1[C@@H](NC(C)=O)CC2	ZINC000253414808	572289040	/nfs/dbraw/zinc/28/90/40/572289040.db2.gz	YRHJDHDYGDCCDO-QHCPKHFHSA-N	0	0	590.681	3.073	50	0		KGAARN
COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](CCSC)C(=O)NCCc3c[nH]cn3)c(=O)cc1[C@@H](NC(C)=O)CC2	ZINC000253415086	572289100	/nfs/dbraw/zinc/28/91/00/572289100.db2.gz	ZOFPJWJQKKFSFD-ZCYQVOJMSA-N	0	0	609.749	3.479	50	0		KGAARN
COCCNC(=O)[C@@H](Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(C)C	ZINC000253415150	572289191	/nfs/dbraw/zinc/28/91/91/572289191.db2.gz	ZUMYEBMXWDSHPT-LVXARBLLSA-N	0	0	541.645	3.062	50	0		KGAARN
Cc1nc2ccccc2n1C1CCN(C(=O)[C@H]2CN(S(=O)(=O)c3ccccc3Cl)CCO2)CC1	ZINC000253427510	572289329	/nfs/dbraw/zinc/28/93/29/572289329.db2.gz	MRVHRCZTDDBQFF-JOCHJYFZSA-N	0	0	503.024	3.251	50	0		KGAARN
Cc1nc2ccccc2n1C1CCN(C(=O)[C@@H]2CN(S(=O)(=O)c3ccccc3Cl)CCO2)CC1	ZINC000253427515	572289324	/nfs/dbraw/zinc/28/93/24/572289324.db2.gz	MRVHRCZTDDBQFF-QFIPXVFZSA-N	0	0	503.024	3.251	50	0		KGAARN
CC(=O)Oc1ccc(N2C(=O)C3=C(C(O)n4nnc5ccccc54)N4c5ccccc5C=C[C@H]4[C@@H]3C2=O)cc1	ZINC000253487222	572290360	/nfs/dbraw/zinc/29/03/60/572290360.db2.gz	HBMOWCNXOACRIR-CQJMVLFOSA-N	0	0	519.517	3.087	50	0		KGAARN
CC(=O)Oc1ccc(N2C(=O)C3=C(C(O)n4nnc5ccccc54)N4c5ccccc5C=C[C@@H]4[C@@H]3C2=O)cc1	ZINC000253487223	572290390	/nfs/dbraw/zinc/29/03/90/572290390.db2.gz	HBMOWCNXOACRIR-KEVKATSASA-N	0	0	519.517	3.087	50	0		KGAARN
CC(=O)Oc1ccc(N2C(=O)C3=C(C(O)n4nnc5ccccc54)N4c5ccccc5C=C[C@@H]4[C@@H]3C2=O)cc1	ZINC000253487224	572290321	/nfs/dbraw/zinc/29/03/21/572290321.db2.gz	HBMOWCNXOACRIR-RSYZFUPGSA-N	0	0	519.517	3.087	50	0		KGAARN
CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)OC[C@@H]1O[C@@H](Oc2ccc3c(c2)occ(-c2ccc4c(c2)OCCO4)c3=O)[C@H](O)[C@H](O)[C@@H]1O	ZINC000253487405	572290610	/nfs/dbraw/zinc/29/06/10/572290610.db2.gz	JXCDWBSOTYSNDX-MIMGHKSHSA-N	0	0	705.713	3.097	50	0		KGAARN
CCCCOC(=O)c1ccc(N2C(=O)[C@@H]3C(=C(C(=O)c4ccc(OC(C)=O)cc4)N4N=CC=C[C@@H]34)C2O)cc1	ZINC000253487661	572290783	/nfs/dbraw/zinc/29/07/83/572290783.db2.gz	NRTHGKVIDOLOJW-QORCZRPOSA-N	0	0	529.549	3.166	50	0		KGAARN
CCCCOC(=O)c1ccc(N2C(=O)[C@@H]3C(=C(C(=O)c4ccc(OC(C)=O)cc4)N4N=CC=C[C@H]34)C2O)cc1	ZINC000253487662	572290796	/nfs/dbraw/zinc/29/07/96/572290796.db2.gz	NRTHGKVIDOLOJW-ROHNOIKCSA-N	0	0	529.549	3.166	50	0		KGAARN
CCCCOC(=O)c1ccc(N2C(=O)[C@@H]3C(=C(C(=O)c4ccc(OC(C)=O)cc4)N4N=CC=C[C@H]34)C2O)cc1	ZINC000253487663	572290744	/nfs/dbraw/zinc/29/07/44/572290744.db2.gz	NRTHGKVIDOLOJW-WSOYEBOPSA-N	0	0	529.549	3.166	50	0		KGAARN
CO[C@@H]1OC[C@H](O[C@@H]2O[C@H](COC(=O)c3ccccc3)[C@H](OC(=O)c3ccccc3)[C@@H]2OC(=O)c2ccccc2)[C@@H](OC(C)=O)[C@H]1OC(C)=O	ZINC000253487947	572291025	/nfs/dbraw/zinc/29/10/25/572291025.db2.gz	UJCYJPBHCOSNDQ-GOJKBLNLSA-N	0	0	692.670	3.271	50	0		KGAARN
CO[C@@H]1OC[C@H](O[C@@H]2O[C@H](COC(=O)c3ccccc3)[C@H](OC(=O)c3ccccc3)[C@@H]2OC(=O)c2ccccc2)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000253487948	572291002	/nfs/dbraw/zinc/29/10/02/572291002.db2.gz	UJCYJPBHCOSNDQ-QYYYJSMASA-N	0	0	692.670	3.271	50	0		KGAARN
CO[C@@H]1OC[C@H](O[C@@H]2O[C@H](COC(=O)c3ccccc3)[C@H](OC(=O)c3ccccc3)[C@@H]2OC(=O)c2ccccc2)[C@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000253487949	572291037	/nfs/dbraw/zinc/29/10/37/572291037.db2.gz	UJCYJPBHCOSNDQ-VZBBPENESA-N	0	0	692.670	3.271	50	0		KGAARN
CO[C@@H]1OC[C@H](O[C@@H]2O[C@H](COC(=O)c3ccccc3)[C@H](OC(=O)c3ccccc3)[C@@H]2OC(=O)c2ccccc2)[C@H](OC(C)=O)[C@H]1OC(C)=O	ZINC000253487950	572290990	/nfs/dbraw/zinc/29/09/90/572290990.db2.gz	UJCYJPBHCOSNDQ-YCXWYBRCSA-N	0	0	692.670	3.271	50	0		KGAARN
CC1(C)O[C@H]2[C@@H](O[C@H]([C@H](COC(=O)CNC(=O)OCc3ccccc3)OC(=O)CNC(=O)OCc3ccccc3)[C@@H]2OC(=O)CNC(=O)OCc2ccccc2)O1	ZINC000253487984	572291192	/nfs/dbraw/zinc/29/11/92/572291192.db2.gz	UWNHGNFQFGCESF-NLQUADBTSA-N	0	0	793.779	3.009	50	0		KGAARN
CC(=O)N[C@@H]1[C@H](Sc2nnc(COc3ccc(Cl)cc3)n2C2CCCC2)O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O	ZINC000253492811	572291550	/nfs/dbraw/zinc/29/15/50/572291550.db2.gz	RFIVAFIZUIRXPQ-AMNZSHNSSA-N	0	0	639.127	3.374	50	0		KGAARN
CC(=O)N[C@@H]1[C@H](Sc2nnc(COc3ccc(Cl)cc3)n2C2CCCC2)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	ZINC000253492812	572291575	/nfs/dbraw/zinc/29/15/75/572291575.db2.gz	RFIVAFIZUIRXPQ-MXNPBTMYSA-N	0	0	639.127	3.374	50	0		KGAARN
CC(=O)N[C@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](COC(C)=O)O[C@H]1Sc1nnc(COc2ccc(Cl)cc2)n1C1CCCC1	ZINC000253492813	572291543	/nfs/dbraw/zinc/29/15/43/572291543.db2.gz	RFIVAFIZUIRXPQ-QNIQQWMFSA-N	0	0	639.127	3.374	50	0		KGAARN
CC(=O)N[C@H]1[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H](COC(C)=O)O[C@H]1Sc1nnc(COc2ccc(Cl)cc2)n1C1CCCC1	ZINC000253492814	572291563	/nfs/dbraw/zinc/29/15/63/572291563.db2.gz	RFIVAFIZUIRXPQ-UOJUTNHLSA-N	0	0	639.127	3.374	50	0		KGAARN
CCOC(=O)C1=CNC(=O)C([C@@H](CC(=O)NCCc2ccc(F)cc2)c2cc(OC)c3c(c2OC)OCO3)C1=O	ZINC000253496450	572291646	/nfs/dbraw/zinc/29/16/46/572291646.db2.gz	CHSJLLQDVDPLJW-KRWDZBQOSA-N	0	0	556.543	3.435	50	0		KGAARN
CCOC(=O)C1=CNC(=O)C([C@H](CC(=O)NCCc2ccc(F)cc2)c2cc(OC)c3c(c2OC)OCO3)C1=O	ZINC000253496451	572291665	/nfs/dbraw/zinc/29/16/65/572291665.db2.gz	CHSJLLQDVDPLJW-QGZVFWFLSA-N	0	0	556.543	3.435	50	0		KGAARN
CCOC(=O)C1=CNC(=O)C([C@H](CC(=O)NCc2ccc(OC)cc2)c2cc3c(c(OC)c2)OCO3)C1=O	ZINC000253496454	572291762	/nfs/dbraw/zinc/29/17/62/572291762.db2.gz	CKFJTDUKXAOPBK-GOSISDBHSA-N	0	0	524.526	3.254	50	0		KGAARN
CCOC(=O)C1=CNC(=O)C([C@@H](CC(=O)NCc2ccc(OC)cc2)c2cc3c(c(OC)c2)OCO3)C1=O	ZINC000253496455	572291776	/nfs/dbraw/zinc/29/17/76/572291776.db2.gz	CKFJTDUKXAOPBK-SFHVURJKSA-N	0	0	524.526	3.254	50	0		KGAARN
CCOC(=O)C1=CNC(=O)C([C@H](CC(=O)NCCc2ccc(F)cc2)c2cc3c(c(OC)c2)OCO3)C1=O	ZINC000253496473	572291766	/nfs/dbraw/zinc/29/17/66/572291766.db2.gz	FOTQSWOKGCZCAH-GOSISDBHSA-N	0	0	526.517	3.427	50	0		KGAARN
CCOC(=O)C1=CNC(=O)C([C@@H](CC(=O)NCCc2ccc(F)cc2)c2cc3c(c(OC)c2)OCO3)C1=O	ZINC000253496474	572291765	/nfs/dbraw/zinc/29/17/65/572291765.db2.gz	FOTQSWOKGCZCAH-SFHVURJKSA-N	0	0	526.517	3.427	50	0		KGAARN
CCOC(=O)C1=CNC(=O)C([C@@H](CC(=O)NCc2ccc(F)cc2)c2cc3c(c(OC)c2)OCO3)C1=O	ZINC000253496483	572291763	/nfs/dbraw/zinc/29/17/63/572291763.db2.gz	GFDJVJFJSLOSGC-KRWDZBQOSA-N	0	0	512.490	3.384	50	0		KGAARN
CCOC(=O)C1=CNC(=O)C([C@H](CC(=O)NCc2ccc(F)cc2)c2cc3c(c(OC)c2)OCO3)C1=O	ZINC000253496484	572291788	/nfs/dbraw/zinc/29/17/88/572291788.db2.gz	GFDJVJFJSLOSGC-QGZVFWFLSA-N	0	0	512.490	3.384	50	0		KGAARN
CCOC(=O)C1=CNC(=O)C([C@@H](CC(=O)NCc2ccco2)c2cc(OC)c(OC)c(OC)c2)C1=O	ZINC000253496495	572291744	/nfs/dbraw/zinc/29/17/44/572291744.db2.gz	HBOOKVKAHNIOOV-INIZCTEOSA-N	0	0	500.504	3.127	50	0		KGAARN
CCOC(=O)C1=CNC(=O)C([C@H](CC(=O)NCc2ccco2)c2cc(OC)c(OC)c(OC)c2)C1=O	ZINC000253496496	572291779	/nfs/dbraw/zinc/29/17/79/572291779.db2.gz	HBOOKVKAHNIOOV-MRXNPFEDSA-N	0	0	500.504	3.127	50	0		KGAARN
CCOC(=O)C1=CNC(=O)C([C@@H](CC(=O)NCCc2ccc(O)cc2)c2cc(OC)c(OC)c(OC)c2)C1=O	ZINC000253496504	572291767	/nfs/dbraw/zinc/29/17/67/572291767.db2.gz	JIYBILVISGYLOP-IBGZPJMESA-N	0	0	540.569	3.282	50	0		KGAARN
CCOC(=O)C1=CNC(=O)C([C@H](CC(=O)NCCc2ccc(O)cc2)c2cc(OC)c(OC)c(OC)c2)C1=O	ZINC000253496505	572291745	/nfs/dbraw/zinc/29/17/45/572291745.db2.gz	JIYBILVISGYLOP-LJQANCHMSA-N	0	0	540.569	3.282	50	0		KGAARN
CCOC(=O)C1=CNC(=O)C([C@@H](CC(=O)NCCc2ccc(OC)cc2)c2ccc3c(c2)OCO3)C1=O	ZINC000253496508	572291747	/nfs/dbraw/zinc/29/17/47/572291747.db2.gz	JOZZNXJMNVIONI-IBGZPJMESA-N	0	0	508.527	3.288	50	0		KGAARN
CCOC(=O)C1=CNC(=O)C([C@H](CC(=O)NCCc2ccc(OC)cc2)c2ccc3c(c2)OCO3)C1=O	ZINC000253496509	572291769	/nfs/dbraw/zinc/29/17/69/572291769.db2.gz	JOZZNXJMNVIONI-LJQANCHMSA-N	0	0	508.527	3.288	50	0		KGAARN
CCOC(=O)C1=CNC(=O)C([C@@H](CC(=O)NCCc2ccc(O)cc2)c2cc(OC)c3c(c2OC)OCO3)C1=O	ZINC000253496528	572291756	/nfs/dbraw/zinc/29/17/56/572291756.db2.gz	LDMHOXDTTQSLIL-KRWDZBQOSA-N	0	0	554.552	3.002	50	0		KGAARN
CCOC(=O)C1=CNC(=O)C([C@H](CC(=O)NCCc2ccc(O)cc2)c2cc(OC)c3c(c2OC)OCO3)C1=O	ZINC000253496529	572291761	/nfs/dbraw/zinc/29/17/61/572291761.db2.gz	LDMHOXDTTQSLIL-QGZVFWFLSA-N	0	0	554.552	3.002	50	0		KGAARN
CCOC(=O)C1=CNC(=O)C([C@@H](CC(=O)NCCc2ccc(OC)cc2)c2cc3c(c(OC)c2)OCO3)C1=O	ZINC000253496564	572291903	/nfs/dbraw/zinc/29/19/03/572291903.db2.gz	PDHVRCAEYMQGSR-IBGZPJMESA-N	0	0	538.553	3.296	50	0		KGAARN
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COc1ccc(C2(CNC(=O)c3ccc(O[C@H]4O[C@@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]4OC(C)=O)c(OC)c3)CCCC2)cc1OC	ZINC000253612537	572301277	/nfs/dbraw/zinc/30/12/77/572301277.db2.gz	VTKCBULVLGVOEO-FAEFUHMUSA-N	0	0	715.749	3.416	50	0		KGAARN
COc1ccc(C2(CNC(=O)c3ccc(O[C@@H]4O[C@@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]4OC(C)=O)c(OC)c3)CCCC2)cc1OC	ZINC000253612538	572301261	/nfs/dbraw/zinc/30/12/61/572301261.db2.gz	VTKCBULVLGVOEO-WUORMFBWSA-N	0	0	715.749	3.416	50	0		KGAARN
COc1ccc(-n2c(=O)c(=Cc3ccc(F)cc3)sc2=C(C#N)c2nnc(N3CCOCC3)n2-c2ccccc2)cc1	ZINC000254291671	1060008248	/nfs/dbraw/zinc/00/82/48/1060008248.db2.gz	MNWUVPQBUGQDNL-UHFFFAOYSA-N	0	0	580.645	3.015	50	0		KGAARN
Cc1ccc(NC(=O)C=c2sc(=Cc3ccc(Cl)cc3)c(=O)n2CC(=O)N2CCC(C)CC2)cc1	ZINC000254294953	1060008283	/nfs/dbraw/zinc/00/82/83/1060008283.db2.gz	RQFOAGTVSRMQQV-UHFFFAOYSA-N	0	0	510.059	3.378	50	0		KGAARN
COc1cc(OC)cc(C(=O)C=c2sc(=Cc3ccc(Cl)cc3)c(=O)n2CC(=O)N2CCC(C)CC2)c1	ZINC000254297927	1060008325	/nfs/dbraw/zinc/00/83/25/1060008325.db2.gz	XVDCQTOGYMMVIB-UHFFFAOYSA-N	0	0	541.069	3.331	50	0		KGAARN
COc1ccc(C(C)=NNC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)cc1CSc1ncccn1	ZINC000254305654	1060008106	/nfs/dbraw/zinc/00/81/06/1060008106.db2.gz	SZJOUIUXHIPMJT-UHFFFAOYSA-N	0	0	506.009	3.232	50	0		KGAARN
O=S(=O)(c1ccc(NC(=S)NN=Cc2c[nH]c3ccc(Br)cc23)cc1)N1CCOCC1	ZINC000254305903	1060008150	/nfs/dbraw/zinc/00/81/50/1060008150.db2.gz	YWMWXUDBIBZQGG-UHFFFAOYSA-N	0	0	522.450	3.272	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2sc(=Cc3ccccc3OC(F)F)c(=O)n2[C@H]1c1ccc(OC)cc1	ZINC000254307957	1059543233	/nfs/dbraw/zinc/54/32/33/1059543233.db2.gz	HJHVOPCXFWTPTG-NRFANRHFSA-N	0	0	500.523	3.408	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2sc(=Cc3ccccc3OC(F)F)c(=O)n2[C@@H]1c1ccc(OC)cc1	ZINC000254307966	1060008128	/nfs/dbraw/zinc/00/81/28/1060008128.db2.gz	HJHVOPCXFWTPTG-OAQYLSRUSA-N	0	0	500.523	3.408	50	0		KGAARN
O=S(=O)(c1ccc(N2CCOCC2)c(NC(=S)NN=Cc2ccc(Cl)cc2Cl)c1)N1CCOCC1	ZINC000254311113	1060008173	/nfs/dbraw/zinc/00/81/73/1060008173.db2.gz	WHAPQOCYEPBEBC-UHFFFAOYSA-N	0	0	558.513	3.171	50	0		KGAARN
Cc1nn(-c2ccccc2)c(Cl)c1CN=Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1	ZINC000254319142	1060008598	/nfs/dbraw/zinc/00/85/98/1060008598.db2.gz	UXZVMLDMKCQXQO-UHFFFAOYSA-N	0	0	504.956	3.209	50	0		KGAARN
COC(=O)c1ccccc1-c1ccc(C=c2sc(=C(C#N)C(N)=O)n(-c3ccc(Cl)cc3Cl)c2=O)o1	ZINC000254346431	1060008646	/nfs/dbraw/zinc/00/86/46/1060008646.db2.gz	GDSJRBSODXBQDB-UHFFFAOYSA-N	0	0	540.384	3.241	50	0		KGAARN
CCCN1C(=O)[C@H](CC(=O)Nc2ccccc2OC)SC1=Nc1cccc(S(=O)(=O)N(C)C)c1	ZINC000254372138	1060008939	/nfs/dbraw/zinc/00/89/39/1060008939.db2.gz	CZDUNRVTLVVKRP-FQEVSTJZSA-N	0	0	504.634	3.316	50	0		KGAARN
CCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2OC)SC1=Nc1cccc(S(=O)(=O)N(C)C)c1	ZINC000254372139	1060008925	/nfs/dbraw/zinc/00/89/25/1060008925.db2.gz	CZDUNRVTLVVKRP-HXUWFJFHSA-N	0	0	504.634	3.316	50	0		KGAARN
CC(C)(C)C(=O)C(C#N)=c1sc(=Cc2cc3c(cc2[N+](=O)[O-])OCO3)c(=O)n1-c1ccc(Cl)cc1	ZINC000254372488	1060009061	/nfs/dbraw/zinc/00/90/61/1060009061.db2.gz	KVJBNBVORKOJMG-UHFFFAOYSA-N	0	0	511.943	3.308	50	0		KGAARN
COCCOC(=O)C(C#N)=NNc1ccc(OC)c(S(=O)(=O)Nc2cc(C)ccc2Br)c1	ZINC000254378868	1060008997	/nfs/dbraw/zinc/00/89/97/1060008997.db2.gz	MGGPTZZOMZZPCA-UHFFFAOYSA-N	0	0	525.381	3.048	50	0		KGAARN
N#CC(c1nnc(N2CCOCC2)n1-c1ccccc1)=c1sc(=Cc2ccc(F)cc2)c(=O)n1-c1ccccc1	ZINC000254380395	1060008976	/nfs/dbraw/zinc/00/89/76/1060008976.db2.gz	ONUDJFMOFYIJGD-UHFFFAOYSA-N	0	0	550.619	3.007	50	0		KGAARN
Cc1ccc(-n2c(=O)c(=Cc3ccc([N+](=O)[O-])cc3)sc2=C(C#N)C(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)cc1	ZINC000254382819	1060009110	/nfs/dbraw/zinc/00/91/10/1060009110.db2.gz	HWTAIDRVADQURK-UHFFFAOYSA-N	0	0	629.720	3.432	50	0		KGAARN
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C[C@H]2CCCO2)c1=NC(=O)c1ccccc1Cl	ZINC000254396691	1060009554	/nfs/dbraw/zinc/00/95/54/1060009554.db2.gz	AAQSDDIQOKMSAU-MRXNPFEDSA-N	0	0	506.946	3.399	50	0		KGAARN
O=S(=O)(c1ccc(Cl)c(NC(=S)NN=Cc2ccccc2OC(F)F)c1)N1CCOCC1	ZINC000254396920	1060009411	/nfs/dbraw/zinc/00/94/11/1060009411.db2.gz	IBDWQTIZPYUZCU-UHFFFAOYSA-N	0	0	504.968	3.283	50	0		KGAARN
CCC(=O)N1CCc2cc(Br)c(S(=O)(=O)N3CCC[C@@H](C(=O)NC[C@H]4COc5ccccc5O4)C3)cc21	ZINC000254397317	572302512	/nfs/dbraw/zinc/30/25/12/572302512.db2.gz	GKQJGFXRFPNZTQ-MOPGFXCFSA-N	0	0	592.512	3.105	50	0		KGAARN
CCC(=O)N1CCc2cc(Br)c(S(=O)(=O)N3CCC[C@H](C(=O)NC[C@H]4COc5ccccc5O4)C3)cc21	ZINC000254397320	572302527	/nfs/dbraw/zinc/30/25/27/572302527.db2.gz	GKQJGFXRFPNZTQ-OALUTQOASA-N	0	0	592.512	3.105	50	0		KGAARN
Cc1nn(-c2ccccc2)c(Cl)c1CN=Nc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-]	ZINC000254439957	1060010139	/nfs/dbraw/zinc/01/01/39/1060010139.db2.gz	HGRGQRLTNIZEGD-UHFFFAOYSA-N	0	0	504.956	3.209	50	0		KGAARN
O=S(=O)(c1ccc(Cl)c(NC(=S)NN=Cc2c(F)c(F)c(F)c(F)c2F)c1)N1CCOCC1	ZINC000254444449	1060010116	/nfs/dbraw/zinc/01/01/16/1060010116.db2.gz	OSHSQNNBQRUTBE-UHFFFAOYSA-N	0	0	528.912	3.377	50	0		KGAARN
Cc1nn(-c2ccc(F)cc2)c(Cl)c1CN=Nc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-]	ZINC000254447829	1060010184	/nfs/dbraw/zinc/01/01/84/1060010184.db2.gz	WAAHXQKJTVHBEF-UHFFFAOYSA-N	0	0	522.946	3.348	50	0		KGAARN
COC(=O)C1=C(C)N=c2sc(=C3c4ccccc4N(Cc4ccccc4F)C3=O)c(=O)n2[C@@H]1c1ccc(OC)cc1	ZINC000254480230	1060010483	/nfs/dbraw/zinc/01/04/83/1060010483.db2.gz	VHUVMAVEPNKEHR-AREMUKBSSA-N	0	0	569.614	3.473	50	0		KGAARN
COC(=O)C1=C(C)N=c2sc(=C3c4ccccc4N(Cc4ccccc4F)C3=O)c(=O)n2[C@H]1c1ccc(OC)cc1	ZINC000254480232	1060010622	/nfs/dbraw/zinc/01/06/22/1060010622.db2.gz	VHUVMAVEPNKEHR-SANMLTNESA-N	0	0	569.614	3.473	50	0		KGAARN
COc1ccc(C=Nn2c(C)csc2=Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)cc1O	ZINC000254483985	1060010534	/nfs/dbraw/zinc/01/05/34/1060010534.db2.gz	ZQJUORYGWHIPLK-UHFFFAOYSA-N	0	0	523.036	3.361	50	0		KGAARN
CCOc1ccccc1-n1c(=O)c(=Cc2ccc(C#N)cc2)sc1=C(C#N)C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1	ZINC000254484756	1060011044	/nfs/dbraw/zinc/01/10/44/1060011044.db2.gz	ILYXTFRJEMZBBB-UHFFFAOYSA-N	0	0	639.759	3.486	50	0		KGAARN
CCOCCCN1C(=O)[C@H](CC(=O)Nc2ccccc2)SC1=Nc1cccc(S(=O)(=O)N(C)C)c1	ZINC000254485812	1060010973	/nfs/dbraw/zinc/01/09/73/1060010973.db2.gz	MUHBDZKNXXHUHY-NRFANRHFSA-N	0	0	518.661	3.324	50	0		KGAARN
CCOCCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2)SC1=Nc1cccc(S(=O)(=O)N(C)C)c1	ZINC000254485813	1060010932	/nfs/dbraw/zinc/01/09/32/1060010932.db2.gz	MUHBDZKNXXHUHY-OAQYLSRUSA-N	0	0	518.661	3.324	50	0		KGAARN
CCOc1ccc(-n2c(=O)c(=Cc3ccc(OC(F)F)cc3)sc2=C(C#N)C(=O)N2CCCC2)cc1	ZINC000254487457	1060010885	/nfs/dbraw/zinc/01/08/85/1060010885.db2.gz	KRBVKOOTWNQYCA-UHFFFAOYSA-N	0	0	511.550	3.025	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2sc(=Cc3cccc(Br)c3)c(=O)n2[C@@H]1c1ccc(OC(C)=O)c(OC)c1	ZINC000254487743	1060011062	/nfs/dbraw/zinc/01/10/62/1060011062.db2.gz	JWIVULGESAIHHP-HSZRJFAPSA-N	0	0	571.449	3.495	50	0		KGAARN
CCOC(=O)C1=C(C)N=c2sc(=Cc3cccc(Br)c3)c(=O)n2[C@H]1c1ccc(OC(C)=O)c(OC)c1	ZINC000254487744	1060010996	/nfs/dbraw/zinc/01/09/96/1060010996.db2.gz	JWIVULGESAIHHP-QHCPKHFHSA-N	0	0	571.449	3.495	50	0		KGAARN
CC(C)(C)C(=O)C(C#N)=c1sc(=Cc2ccc(Sc3ncccn3)c([N+](=O)[O-])c2)c(=O)n1C[C@@H]1CCCO1	ZINC000254488237	1060011332	/nfs/dbraw/zinc/01/13/32/1060011332.db2.gz	KMASBDKFPLCIFP-KRWDZBQOSA-N	0	0	551.650	3.056	50	0		KGAARN
CC(C)(C)C(=O)C(C#N)=c1sc(=Cc2ccc(Sc3ncccn3)c([N+](=O)[O-])c2)c(=O)n1C[C@H]1CCCO1	ZINC000254488238	1060011376	/nfs/dbraw/zinc/01/13/76/1060011376.db2.gz	KMASBDKFPLCIFP-QGZVFWFLSA-N	0	0	551.650	3.056	50	0		KGAARN
CCOc1ccc(-n2c(=O)c(=Cc3ccc(C(=O)OC)cc3)sc2=C(C#N)C(=O)c2ccccc2)cc1	ZINC000254490589	1060011353	/nfs/dbraw/zinc/01/13/53/1060011353.db2.gz	YNPLVYLASYJFLM-UHFFFAOYSA-N	0	0	510.571	3.470	50	0		KGAARN
CCn1c2ccc(S(N)(=O)=O)cc2nc1SCC(=O)N=c1sccn1Cc1ccc(C)cc1	ZINC000254499928	1060011668	/nfs/dbraw/zinc/01/16/68/1060011668.db2.gz	AAIMAFHBCXZJPC-UHFFFAOYSA-N	0	0	501.659	3.143	50	0		KGAARN
CCCN1C(=O)[C@@H](CC(=O)Nc2ccc(C(C)=O)cc2)SC1=Nc1ccc(S(=O)(=O)N2CCOCC2)cc1	ZINC000254501196	1060011774	/nfs/dbraw/zinc/01/17/74/1060011774.db2.gz	LYJYNUBRJZXLRD-HSZRJFAPSA-N	0	0	558.682	3.280	50	0		KGAARN
CCCN1C(=O)[C@H](CC(=O)Nc2ccc(C(C)=O)cc2)SC1=Nc1ccc(S(=O)(=O)N2CCOCC2)cc1	ZINC000254501197	1060011652	/nfs/dbraw/zinc/01/16/52/1060011652.db2.gz	LYJYNUBRJZXLRD-QHCPKHFHSA-N	0	0	558.682	3.280	50	0		KGAARN
CN(C)S(=O)(=O)c1cc(NC(=O)CON=CC(=O)Nc2cccc(C(F)(F)F)c2)ccc1Cl	ZINC000254505813	1060011819	/nfs/dbraw/zinc/01/18/19/1060011819.db2.gz	UVYXMSTZOPHIRL-UHFFFAOYSA-N	0	0	506.890	3.189	50	0		KGAARN
CCCn1c(-c2ccc3c(c2)NC(=O)CO3)csc1=Nc1ccc(S(=O)(=O)N2CCOCC2)cc1	ZINC000254515228	1060012298	/nfs/dbraw/zinc/01/22/98/1060012298.db2.gz	XCZQPZDTGSSALQ-UHFFFAOYSA-N	0	0	514.629	3.211	50	0		KGAARN
CN(C)S(=O)(=O)c1cccc(N=c2scc(-c3ccc4c(c3)NC(=O)CO4)n2C[C@H]2CCCO2)c1	ZINC000254517812	1060012229	/nfs/dbraw/zinc/01/22/29/1060012229.db2.gz	LMEUCXRVNCWPIJ-GOSISDBHSA-N	0	0	514.629	3.209	50	0		KGAARN
CN(C)S(=O)(=O)c1cccc(N=c2scc(-c3ccc4c(c3)NC(=O)CO4)n2C[C@@H]2CCCO2)c1	ZINC000254517819	1060012116	/nfs/dbraw/zinc/01/21/16/1060012116.db2.gz	LMEUCXRVNCWPIJ-SFHVURJKSA-N	0	0	514.629	3.209	50	0		KGAARN
CCCN1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2)SC1=Nc1ccc(S(=O)(=O)N2CCOCC2)cc1	ZINC000254518834	1060012352	/nfs/dbraw/zinc/01/23/52/1060012352.db2.gz	SDTJTZPTRKISJG-NRFANRHFSA-N	0	0	534.635	3.217	50	0		KGAARN
CCCN1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2)SC1=Nc1ccc(S(=O)(=O)N2CCOCC2)cc1	ZINC000254518838	1060012093	/nfs/dbraw/zinc/01/20/93/1060012093.db2.gz	SDTJTZPTRKISJG-OAQYLSRUSA-N	0	0	534.635	3.217	50	0		KGAARN
Cc1nn(-c2ccccc2)c(Cl)c1C=NOCC(=O)Nc1ccc(C)c(S(=O)(=O)N2CCOCC2)c1	ZINC000254522062	1060012328	/nfs/dbraw/zinc/01/23/28/1060012328.db2.gz	UZYNRQSISQKPRB-UHFFFAOYSA-N	0	0	532.022	3.153	50	0		KGAARN
COc1cc(C=NNC(=S)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)cc(Br)c1O	ZINC000254570593	1059556132	/nfs/dbraw/zinc/55/61/32/1059556132.db2.gz	IPPMLTGDFXYELB-UHFFFAOYSA-N	0	0	563.883	3.158	50	0		KGAARN
CCCN1C(=O)[C@H](CC(=O)Nc2ccccc2)SC1=Nc1ccc(S(=O)(=O)N2CCOCC2)cc1	ZINC000254573292	1060012656	/nfs/dbraw/zinc/01/26/56/1060012656.db2.gz	PEGNXSAPICOOSO-NRFANRHFSA-N	0	0	516.645	3.078	50	0		KGAARN
CCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2)SC1=Nc1ccc(S(=O)(=O)N2CCOCC2)cc1	ZINC000254573294	1060012561	/nfs/dbraw/zinc/01/25/61/1060012561.db2.gz	PEGNXSAPICOOSO-OAQYLSRUSA-N	0	0	516.645	3.078	50	0		KGAARN
O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1N=NCc1c[nH]c2ccc(Br)cc12	ZINC000254590053	1060012935	/nfs/dbraw/zinc/01/29/35/1060012935.db2.gz	HEBLKQYHFRZVGE-UHFFFAOYSA-N	0	0	508.354	3.306	50	0		KGAARN
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CCCOC)c1=NC(=O)c1cccc(Br)c1	ZINC000254597520	1060012913	/nfs/dbraw/zinc/01/29/13/1060012913.db2.gz	HBQYVJGLNNVAJN-UHFFFAOYSA-N	0	0	539.386	3.366	50	0		KGAARN
O=C(NN=C1c2ccccc2N(Cc2ccc(Cl)cc2)C1=O)c1cccc(S(=O)(=O)N2CCOCC2)c1	ZINC000254618222	1060013290	/nfs/dbraw/zinc/01/32/90/1060013290.db2.gz	IACYEPUKJFFTHX-UHFFFAOYSA-N	0	0	539.013	3.042	50	0		KGAARN
CCOc1cc(C=NNC(=O)C(=O)NN=Cc2cc(Br)c(O)c(OCC)c2)cc(Br)c1O	ZINC000254656946	1060013444	/nfs/dbraw/zinc/01/34/44/1060013444.db2.gz	GKDATDVBKIJUST-UHFFFAOYSA-N	0	0	572.210	3.021	50	0		KGAARN
CCOc1cc(C=NNS(=O)(=O)c2cc(C)ccc2C)cc(Br)c1OCC(=O)N(C)C	ZINC000254658250	1060013838	/nfs/dbraw/zinc/01/38/38/1060013838.db2.gz	MXCVVQNIKRNGRK-UHFFFAOYSA-N	0	0	512.426	3.244	50	0		KGAARN
COc1cc(C=NN2C(=S)N=NC2c2ccccc2Br)ccc1OCC(=O)N1CCOCC1	ZINC000254698696	1060013739	/nfs/dbraw/zinc/01/37/39/1060013739.db2.gz	VOBTYHOAXVHDQY-UHFFFAOYSA-N	0	0	532.420	3.125	50	0		KGAARN
COCCCn1c(=O)c(=Cc2c(C)nn(-c3ccccc3)c2Oc2ccc(F)cc2)sc1=C(C#N)C(=O)N1CCCC1	ZINC000254698945	1060013805	/nfs/dbraw/zinc/01/38/05/1060013805.db2.gz	JVAUVAXQJMFDOW-UHFFFAOYSA-N	0	0	587.677	3.497	50	0		KGAARN
CCOC(=O)C=c1sc(=Cc2ccc(OC(C)C)c(OC)c2)c(=O)n1CC(=O)Nc1ccc(Cl)cc1F	ZINC000254703925	1060014086	/nfs/dbraw/zinc/01/40/86/1060014086.db2.gz	WZWZURGFZZIQKM-UHFFFAOYSA-N	0	0	549.020	3.309	50	0		KGAARN
COc1cc(C=NNC(=S)Nc2cc(S(=O)(=O)N(C)C)ccc2C)cc(Br)c1O	ZINC000254704033	1060014214	/nfs/dbraw/zinc/01/42/14/1060014214.db2.gz	CTGRRCCMMBPSNR-UHFFFAOYSA-N	0	0	501.428	3.043	50	0		KGAARN
Cc1ccc(-n2c(=O)c(=Cc3cn(-c4ccccc4)nc3-c3ccccc3)sc2=C(C#N)C(=O)NCCN2CCOCC2)c(C)c1	ZINC000254733685	1060014169	/nfs/dbraw/zinc/01/41/69/1060014169.db2.gz	DZHMXFFXXNSDQP-UHFFFAOYSA-N	0	0	630.774	3.320	50	0		KGAARN
N#CC(C(=O)NCCN1CCOCC1)=c1sc(=Cc2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)c(=O)n1-c1ccccc1F	ZINC000254735588	1060014317	/nfs/dbraw/zinc/01/43/17/1060014317.db2.gz	MJRXSOWWOROKPO-UHFFFAOYSA-N	0	0	655.155	3.496	50	0		KGAARN
CC(C)(C)C(=O)C=c1sc(=Cc2ccc(Br)cc2)c(=O)n1CC(=O)NC(=O)NC1CCCCC1	ZINC000254738123	1060014191	/nfs/dbraw/zinc/01/41/91/1060014191.db2.gz	IGHRUOTVFMANIH-UHFFFAOYSA-N	0	0	548.503	3.055	50	0		KGAARN
CCCN1c2ccccc2C(=c2sc3n(c2=O)[C@H](c2ccc(OC(=O)c4ccco4)cc2)C(C(=O)OC)=C(C)N=3)C1=O	ZINC000254739350	1060014063	/nfs/dbraw/zinc/01/40/63/1060014063.db2.gz	BGVFXADAYYNHDF-RUZDIDTESA-N	0	0	583.622	3.347	50	0		KGAARN
CCCN1c2ccccc2C(=c2sc3n(c2=O)[C@@H](c2ccc(OC(=O)c4ccco4)cc2)C(C(=O)OC)=C(C)N=3)C1=O	ZINC000254739351	1060014586	/nfs/dbraw/zinc/01/45/86/1060014586.db2.gz	BGVFXADAYYNHDF-VWLOTQADSA-N	0	0	583.622	3.347	50	0		KGAARN
CCOc1ccc(S(=O)(=O)N2CCC(C(=O)NN=Cc3ccc(OC(F)F)c(OC)c3)CC2)cc1	ZINC000254744746	1060014608	/nfs/dbraw/zinc/01/46/08/1060014608.db2.gz	WRCCGKRGDODYQQ-UHFFFAOYSA-N	0	0	511.547	3.246	50	0		KGAARN
O=C(NN=Cc1ccc(O)c(O)c1O)c1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1	ZINC000254745184	1060014514	/nfs/dbraw/zinc/01/45/14/1060014514.db2.gz	BBCMIOHWWNAWLJ-UHFFFAOYSA-N	0	0	506.334	3.131	50	0		KGAARN
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CCCOC)c1=NC(=O)c1ccccc1Br	ZINC000254746993	1060014891	/nfs/dbraw/zinc/01/48/91/1060014891.db2.gz	OHKLOBWVTDRKHD-UHFFFAOYSA-N	0	0	539.386	3.366	50	0		KGAARN
CCN(CC)S(=O)(=O)c1ccc(-c2ccc(C=c3sc(=C(C#N)C(=O)C(C)(C)C)n(C[C@H]4CCCO4)c3=O)o2)cc1	ZINC000254750304	1060015148	/nfs/dbraw/zinc/01/51/48/1060015148.db2.gz	KSFHIWYFOKOBMW-JOCHJYFZSA-N	0	0	597.759	3.498	50	0		KGAARN
CCN(CC)S(=O)(=O)c1ccc(-c2ccc(C=c3sc(=C(C#N)C(=O)C(C)(C)C)n(C[C@@H]4CCCO4)c3=O)o2)cc1	ZINC000254750305	1060014925	/nfs/dbraw/zinc/01/49/25/1060014925.db2.gz	KSFHIWYFOKOBMW-QFIPXVFZSA-N	0	0	597.759	3.498	50	0		KGAARN
Cc1c(N(CC(=O)NN=Cc2ccccc2Cl)S(=O)(=O)c2ccccc2)c(=O)n(-c2ccccc2)n1C	ZINC000254757821	1060014948	/nfs/dbraw/zinc/01/49/48/1060014948.db2.gz	FTESEFCRZISICA-UHFFFAOYSA-N	0	0	538.029	3.483	50	0		KGAARN
Cc1nn(-c2ccccc2)c(Cl)c1C=Nn1c(SCC(=O)N2CCOCC2)nnc1C(F)(F)F	ZINC000254770145	1060015372	/nfs/dbraw/zinc/01/53/72/1060015372.db2.gz	GNRMPFJQPVHYEY-UHFFFAOYSA-N	0	0	513.933	3.278	50	0		KGAARN
COC(=O)c1ccc(C=c2sc(=C(C#N)C(=O)Nc3cccc(S(=O)(=O)N4CCCCC4)c3)n(-c3ccc(F)cc3)c2=O)cc1	ZINC000254799391	1060015862	/nfs/dbraw/zinc/01/58/62/1060015862.db2.gz	WKRAQSYFBQYNGJ-UHFFFAOYSA-N	0	0	646.722	3.141	50	0		KGAARN
COCCn1c(-c2cc(OC)ccc2OC)csc1=Nc1ccc(S(=O)(=O)N2CCOCC2)cc1	ZINC000254807929	1060016012	/nfs/dbraw/zinc/01/60/12/1060016012.db2.gz	IJVNCHXYPUEZJK-UHFFFAOYSA-N	0	0	519.645	3.134	50	0		KGAARN
CCOC(=O)C1=C(C(F)(F)F)N=c2sc(=Cc3cc(OC)c(OC)c(OC)c3)c(=O)n2[C@H]1c1ccccc1	ZINC000254816273	572303589	/nfs/dbraw/zinc/30/35/89/572303589.db2.gz	LNJYPISXRWICKB-FQEVSTJZSA-N	0	0	548.539	3.367	50	0		KGAARN
CCOC(=O)C1=C(C(F)(F)F)N=c2sc(=Cc3cc(OC)c(OC)c(OC)c3)c(=O)n2[C@@H]1c1ccccc1	ZINC000254816277	572303577	/nfs/dbraw/zinc/30/35/77/572303577.db2.gz	LNJYPISXRWICKB-HXUWFJFHSA-N	0	0	548.539	3.367	50	0		KGAARN
N#CC(C(=O)NCc1ccccc1)=c1sc(=Cc2ccc(OC(F)F)cc2)c(=O)n1-c1ccccc1	ZINC000254817541	1060016362	/nfs/dbraw/zinc/01/63/62/1060016362.db2.gz	XQJBJFRFIGPTCY-UHFFFAOYSA-N	0	0	503.530	3.320	50	0		KGAARN
COc1ccc(-n2c(=O)c(=Cc3ccc(OC)c(OC)c3)sc2=C(C#N)C(=O)Nc2ccccc2C)cc1	ZINC000254821765	1060016222	/nfs/dbraw/zinc/01/62/22/1060016222.db2.gz	HIDKSPPZQZQXFL-UHFFFAOYSA-N	0	0	527.602	3.375	50	0		KGAARN
COc1cc(C=c2sc(=C(C#N)C(=O)Nc3ccc(C)c(C)c3)n(-c3cccc(S(=O)(=O)N(C)C)c3)c2=O)cc(Br)c1O	ZINC000254822723	1060016557	/nfs/dbraw/zinc/01/65/57/1060016557.db2.gz	WPZZLXUKYMJNMZ-UHFFFAOYSA-N	0	0	683.606	3.385	50	0		KGAARN
N#CC(C(=O)N1CCN(c2ccccc2F)CC1)=c1sc(=Cc2ccc(OC(F)F)cc2)c(=O)n1-c1ccccc1	ZINC000254824448	1060016702	/nfs/dbraw/zinc/01/67/02/1060016702.db2.gz	DSJMYPNCOZHJOP-UHFFFAOYSA-N	0	0	576.600	3.491	50	0		KGAARN
N#CC(C(N)=O)=c1sc(=Cc2cn(-c3ccccc3)nc2-c2cccs2)c(=O)n1-c1ccc(Cl)cc1	ZINC000254828643	1060017070	/nfs/dbraw/zinc/01/70/70/1060017070.db2.gz	RXEUAAIIWCWBNZ-UHFFFAOYSA-N	0	0	530.034	3.455	50	0		KGAARN
Cc1cc(C=NNC(=O)[C@H]2COc3ccccc3O2)c(C)n1-c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1	ZINC000254832689	1060016953	/nfs/dbraw/zinc/01/69/53/1060016953.db2.gz	HWAZWROLBMWAOI-GDLZYMKVSA-N	0	0	593.706	3.005	50	0		KGAARN
Cc1cc(C=NNC(=O)[C@@H]2COc3ccccc3O2)c(C)n1-c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1	ZINC000254832690	1060016905	/nfs/dbraw/zinc/01/69/05/1060016905.db2.gz	HWAZWROLBMWAOI-LJAQVGFWSA-N	0	0	593.706	3.005	50	0		KGAARN
COc1ccc(Br)cc1CN=Nc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccccc1Cl	ZINC000254837334	1059004971	/nfs/dbraw/zinc/00/49/71/1059004971.db2.gz	VJUQLIZTFKFBRA-UHFFFAOYSA-N	0	0	531.798	3.353	50	0		KGAARN
CC(C)CN1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccc(S(=O)(=O)N2CCOCC2)cc1	ZINC000254837861	1060017047	/nfs/dbraw/zinc/01/70/47/1060017047.db2.gz	XVQPBHGTTJUGOM-JOCHJYFZSA-N	0	0	548.662	3.463	50	0		KGAARN
CC(C)CN1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccc(S(=O)(=O)N2CCOCC2)cc1	ZINC000254837862	1060017466	/nfs/dbraw/zinc/01/74/66/1060017466.db2.gz	XVQPBHGTTJUGOM-QFIPXVFZSA-N	0	0	548.662	3.463	50	0		KGAARN
O=C(NN=Cc1c(=O)n2ccccc2nc1Sc1nnnn1-c1ccccc1)c1ccc(Br)cc1	ZINC000254840597	1060017329	/nfs/dbraw/zinc/01/73/29/1060017329.db2.gz	FLNGNOAQYZPEBS-UHFFFAOYSA-N	0	0	547.398	3.348	50	0		KGAARN
CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3cccnc3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1	ZINC000254845266	572303801	/nfs/dbraw/zinc/30/38/01/572303801.db2.gz	AKNSYGQQPLNTLR-AREMUKBSSA-N	0	0	527.602	3.348	50	0		KGAARN
CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3cccnc3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1	ZINC000254845271	572303765	/nfs/dbraw/zinc/30/37/65/572303765.db2.gz	AKNSYGQQPLNTLR-SANMLTNESA-N	0	0	527.602	3.348	50	0		KGAARN
CCOC(=O)C=c1sc(=Cc2ccc(C(F)(F)F)cc2)c(=O)n1Cc1cc(C(C)=O)ccc1OC	ZINC000254854462	1060017884	/nfs/dbraw/zinc/01/78/84/1060017884.db2.gz	GULOERXRYKGUOF-UHFFFAOYSA-N	0	0	505.514	3.361	50	0		KGAARN
CCOC(=O)c1ccc(NC(=O)C[C@@H]2SC(N=Nc3csc(=O)[nH]3)N(Cc3ccco3)C2=O)cc1	ZINC000254862466	1060018175	/nfs/dbraw/zinc/01/81/75/1060018175.db2.gz	VFDOPCNDPYNUKH-INIZCTEOSA-N	0	0	515.573	3.055	50	0		KGAARN
CCOC(=O)c1ccc(NC(=O)C[C@H]2SC(N=Nc3csc(=O)[nH]3)N(Cc3ccco3)C2=O)cc1	ZINC000254862467	1060018197	/nfs/dbraw/zinc/01/81/97/1060018197.db2.gz	VFDOPCNDPYNUKH-MRXNPFEDSA-N	0	0	515.573	3.055	50	0		KGAARN
COCCn1c(=O)c(=Cc2ccc(-c3ccccc3C(=O)OC)o2)sc1=C(C#N)C(=O)Nc1cccc(C)c1	ZINC000254865759	1060018220	/nfs/dbraw/zinc/01/82/20/1060018220.db2.gz	TYPRQWLSPIKECH-UHFFFAOYSA-N	0	0	543.601	3.053	50	0		KGAARN
Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1/C=C\C(=O)O[C@H](C)C(=O)Nc1ncc(Cl)cc1Cl	ZINC000254867163	1060018262	/nfs/dbraw/zinc/01/82/62/1060018262.db2.gz	YSYDRJCHMVMLBU-CWBMUHOVSA-N	0	0	521.810	3.490	50	0		KGAARN
COc1cccc(C=c2sc(=C(C#N)C(=O)Nc3cccc(S(=O)(=O)N4CCCCC4)c3)n(Cc3ccc4c(c3)OCO4)c2=O)c1	ZINC000254867779	1060018238	/nfs/dbraw/zinc/01/82/38/1060018238.db2.gz	HMLJPVUFYWYMHE-UHFFFAOYSA-N	0	0	658.758	3.012	50	0		KGAARN
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C[C@H]2CCCO2)c1=NC(=O)c1cccc(Cl)c1	ZINC000254872979	1060018548	/nfs/dbraw/zinc/01/85/48/1060018548.db2.gz	FLUUQBRVPVWPEQ-GOSISDBHSA-N	0	0	506.946	3.399	50	0		KGAARN
Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1/C=C\C(=O)OCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2	ZINC000254924515	1059002156	/nfs/dbraw/zinc/00/21/56/1059002156.db2.gz	MWHDVTDOEUFYPE-PKFHVXLBSA-N	0	0	537.063	3.458	50	0		KGAARN
CC(=O)O[C@@H]1[C@H]2[C@@H](OC(=O)c3ccccc3)[C@@H](C)C[C@]2(O)[C@H](OC(C)=O)[C@@]2(C)[C@@H]3C[C@@](C)(O)C[C@H](OC(C)=O)[C@]3(OC(C)=O)C[C@@]12C	ZINC000255284857	291493460	/nfs/dbraw/zinc/49/34/60/291493460.db2.gz	YOOFGOIZRALNAL-ZMHDZMPESA-N	0	0	658.741	3.287	50	0		KGAARN
CO[C@@H]1[C@@H](O)[C@H](O[C@H]2CC[C@@]3(C)[C@H](CC[C@@]45O[C@@]46CC[C@H](C4=CC(=O)OC4)[C@@]6(C)CC[C@@H]53)C2)O[C@H](C)[C@@H]1O	ZINC000255287171	572304072	/nfs/dbraw/zinc/30/40/72/572304072.db2.gz	ZIZPCWNXFYPMNP-QMBFAAFNSA-N	0	0	532.674	3.271	50	0		KGAARN
CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@H](Cc1ccccc1)C(N)=O	ZINC000255984539	572304520	/nfs/dbraw/zinc/30/45/20/572304520.db2.gz	KYRVGMSGNSHJEA-GVAUOCQISA-N	0	0	581.739	3.054	50	0		KGAARN
CSCC[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@H](Cc1ccccc1)C(N)=O	ZINC000255984540	572304593	/nfs/dbraw/zinc/30/45/93/572304593.db2.gz	KYRVGMSGNSHJEA-ISJGIBHGSA-N	0	0	581.739	3.054	50	0		KGAARN
CCCCCC[C@@H]1C(=O)O[C@H](C)[C@H](NC(=O)c2cccc(NC=O)c2O)C(=O)O[C@@H](C)[C@H]1OC(=O)CCC	ZINC000255986706	572304615	/nfs/dbraw/zinc/30/46/15/572304615.db2.gz	LYDAGTPXPZARPR-MLCGBBJPSA-N	0	0	534.606	3.234	50	0		KGAARN
CCCCCC[C@@H]1C(=O)O[C@H](C)[C@H](NC(=O)c2cccc(NC=O)c2O)C(=O)O[C@@H](C)[C@@H]1OC(=O)CCC	ZINC000255986707	572304544	/nfs/dbraw/zinc/30/45/44/572304544.db2.gz	LYDAGTPXPZARPR-WIPUMUQNSA-N	0	0	534.606	3.234	50	0		KGAARN
CC(=O)OC[C@@H]1O[C@H](Oc2c(Br)cc(Br)cc2Br)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O	ZINC000256112657	572305522	/nfs/dbraw/zinc/30/55/22/572305522.db2.gz	QQLSQKBJOXHUDS-MVBLQPKNSA-N	0	0	661.090	3.436	50	0		KGAARN
CC(=O)OC[C@@H]1O[C@@H](Oc2c(Br)cc(Br)cc2Br)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O	ZINC000256112658	572305530	/nfs/dbraw/zinc/30/55/30/572305530.db2.gz	QQLSQKBJOXHUDS-UVBQOVKKSA-N	0	0	661.090	3.436	50	0		KGAARN
COCC1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3ccccc3)CCc3nnc(-c4cccnc4)n3CC2)CC1	ZINC000257175848	1059078379	/nfs/dbraw/zinc/07/83/79/1059078379.db2.gz	BTTNDRSBPLSUTQ-DEOSSOPVSA-N	0	0	566.728	3.259	50	0		KGAARN
COCC1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccccc3)CCc3nnc(-c4cccnc4)n3CC2)CC1	ZINC000257175851	1059078356	/nfs/dbraw/zinc/07/83/56/1059078356.db2.gz	BTTNDRSBPLSUTQ-XMMPIXPASA-N	0	0	566.728	3.259	50	0		KGAARN
O=C(NCCc1ccccc1)N1CCCCCCNC(=O)[C@@H]2C[C@@H](C(=O)N3CCN(c4ccccn4)CC3)C[C@@H]21	ZINC000257176266	1059078207	/nfs/dbraw/zinc/07/82/07/1059078207.db2.gz	AICKGRHAEISZNY-PFBJBMPXSA-N	0	0	546.716	3.070	50	0		KGAARN
COc1cc([C@@H]2c3cc4c(cc3[C@H](O)[C@@H](CO)[C@@H]2C(=O)NCc2ccc(F)cc2)OCO4)cc(OC)c1OC	ZINC000257177662	1059546837	/nfs/dbraw/zinc/54/68/37/1059546837.db2.gz	BERLIUCWYXZBNE-JYIOINSGSA-N	0	0	539.556	3.300	50	0		KGAARN
COc1ccc(OC)c(CNC(=O)[C@H]2[C@H](CO)[C@@H](O)c3cc4c(cc3[C@H]2c2cc(OC)c(OC)c(OC)c2)OCO4)c1	ZINC000257177698	1059078332	/nfs/dbraw/zinc/07/83/32/1059078332.db2.gz	BFLYXLLIMKUUFK-RUZQMMQPSA-N	0	0	581.618	3.178	50	0		KGAARN
O=C1NCCCCCCN(S(=O)(=O)c2ccc3c(c2)OCCO3)[C@H]2C[C@H](c3nc(-c4cccnc4)no3)C[C@@H]12	ZINC000257177724	1059078398	/nfs/dbraw/zinc/07/83/98/1059078398.db2.gz	BGALYVJWDGMHMB-FCEUIQTBSA-N	0	0	553.641	3.146	50	0		KGAARN
O=C(NC1CCCCC1)N1CCCCCCNC(=O)[C@@H]2C[C@@H](C(=O)N3CCN(c4ccccn4)CC3)C[C@@H]21	ZINC000257178743	1059078855	/nfs/dbraw/zinc/07/88/55/1059078855.db2.gz	BZXVQBINVNAYRQ-GPXOXTDOSA-N	0	0	524.710	3.160	50	0		KGAARN
Cc1ccc(CNC(=O)N2CCCCCCNC(=O)[C@@H]3C[C@@H](C(=O)N4CCN(c5ccccn5)CC4)C[C@@H]32)cc1	ZINC000257178934	1059079080	/nfs/dbraw/zinc/07/90/80/1059079080.db2.gz	CETHARLTQLYPSO-PFBJBMPXSA-N	0	0	546.716	3.335	50	0		KGAARN
O=C(NCc1ccc(F)cc1)N1CCCCCCNC(=O)[C@@H]2C[C@@H](C(=O)N3CCN(c4ccccn4)CC3)C[C@@H]21	ZINC000257179032	1059078900	/nfs/dbraw/zinc/07/89/00/1059078900.db2.gz	CHKSLWVMDYDSLR-ARMFNRFLSA-N	0	0	550.679	3.166	50	0		KGAARN
Cc1ccc(C(=O)N2CCCCCCNC(=O)[C@@H]3C[C@@H](C(=O)N4CCN(c5ccccn5)CC4)C[C@@H]32)s1	ZINC000257179404	1059079675	/nfs/dbraw/zinc/07/96/75/1059079675.db2.gz	CPJWUXRNMSXLDX-ZLNRFVROSA-N	0	0	523.703	3.328	50	0		KGAARN
O=C(CCc1ccccc1)N1CCCCCCNC(=O)[C@@H]2C[C@@H](C(=O)N3CCN(c4ccccn4)CC3)C[C@@H]21	ZINC000257179671	1059079623	/nfs/dbraw/zinc/07/96/23/1059079623.db2.gz	CWDLZOHTBTWLST-PFBJBMPXSA-N	0	0	531.701	3.277	50	0		KGAARN
COc1ccc(OC)c(S(=O)(=O)N2CCCN(Cc3ccncc3)[C@@H](c3ccccc3)CC(=O)NCC2)c1	ZINC000257179915	1059079782	/nfs/dbraw/zinc/07/97/82/1059079782.db2.gz	JSJBUDKIWYYGQB-RUZDIDTESA-N	0	0	538.670	3.243	50	0		KGAARN
COc1ccc(OC)c(S(=O)(=O)N2CCCN(Cc3ccncc3)[C@H](c3ccccc3)CC(=O)NCC2)c1	ZINC000257179916	1059079716	/nfs/dbraw/zinc/07/97/16/1059079716.db2.gz	JSJBUDKIWYYGQB-VWLOTQADSA-N	0	0	538.670	3.243	50	0		KGAARN
O=C(CNC(=O)c1[nH]nc2c1COc1ccccc1-2)N1CCCCCCNC(=O)C[C@@H]1c1ccccc1	ZINC000257180812	1059546810	/nfs/dbraw/zinc/54/68/10/1059546810.db2.gz	DVWILUATOOYCJN-JOCHJYFZSA-N	0	0	501.587	3.349	50	0		KGAARN
O=C(CNC(=O)c1[nH]nc2c1COc1ccccc1-2)N1CCCCCCNC(=O)C[C@H]1c1ccccc1	ZINC000257180813	1059547517	/nfs/dbraw/zinc/54/75/17/1059547517.db2.gz	DVWILUATOOYCJN-QFIPXVFZSA-N	0	0	501.587	3.349	50	0		KGAARN
O=C([C@@H]1C[C@H]2C(=O)NCCCCCCN(S(=O)(=O)Cc3ccccc3)[C@H]2C1)N1CCc2ccccc2C1	ZINC000257181045	1059079454	/nfs/dbraw/zinc/07/94/54/1059079454.db2.gz	FCRCCWXTXKTDLD-PFBJBMPXSA-N	0	0	523.699	3.488	50	0		KGAARN
COc1cc([C@@H]2c3cc4c(cc3[C@H](O)[C@@H](CO)[C@@H]2C(=O)NC2CCCCC2)OCO4)cc(OC)c1OC	ZINC000257181246	1059079599	/nfs/dbraw/zinc/07/95/99/1059079599.db2.gz	FIXHKRXYQVAZTE-JYVYKJRCSA-N	0	0	513.587	3.294	50	0		KGAARN
O=C(NCc1cccc(C(F)(F)F)c1)[C@H]1CCCN(S(=O)(=O)c2ccccc2)CCC(=O)NCC1	ZINC000257181572	1059080054	/nfs/dbraw/zinc/08/00/54/1059080054.db2.gz	NMSDIGWQFAPKSS-IBGZPJMESA-N	0	0	511.566	3.319	50	0		KGAARN
O=C(NCc1cccc(C(F)(F)F)c1)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)CCC(=O)NCC1	ZINC000257181573	1059080255	/nfs/dbraw/zinc/08/02/55/1059080255.db2.gz	NMSDIGWQFAPKSS-LJQANCHMSA-N	0	0	511.566	3.319	50	0		KGAARN
COc1ccc(OC)c(S(=O)(=O)N2CCC[C@H](c3nc(-c4ccccc4)no3)CCNC(=O)CC2)c1	ZINC000257181808	1059080228	/nfs/dbraw/zinc/08/02/28/1059080228.db2.gz	OAWJFAAXEUCGQR-IBGZPJMESA-N	0	0	514.604	3.219	50	0		KGAARN
COc1ccc(C(=O)N2CCCCCCNC(=O)[C@@H]3C[C@@H](c4nc(-c5cnccn5)no4)C[C@@H]32)c(OC)c1	ZINC000257181842	1059547315	/nfs/dbraw/zinc/54/73/15/1059547315.db2.gz	FYTNQVZONIFKGO-ZNLUXHQJSA-N	0	0	520.590	3.239	50	0		KGAARN
COc1ccc(OC)c(S(=O)(=O)N2CCC[C@@H](c3nc(-c4ccccc4)no3)CCNC(=O)CC2)c1	ZINC000257181857	1059547339	/nfs/dbraw/zinc/54/73/39/1059547339.db2.gz	OAWJFAAXEUCGQR-LJQANCHMSA-N	0	0	514.604	3.219	50	0		KGAARN
COc1cc([C@@H]2c3cc4c(cc3[C@H](O)[C@@H](CO)[C@@H]2C(=O)NCc2ccccc2)OCO4)cc(OC)c1OC	ZINC000257182234	1059080209	/nfs/dbraw/zinc/08/02/09/1059080209.db2.gz	GIBNQTZGWHUACP-JYIOINSGSA-N	0	0	521.566	3.161	50	0		KGAARN
O=C([C@@H]1CCCN(S(=O)(=O)c2ccccc2)CCC(=O)NCC1)N1CCC(Cc2ccccc2)CC1	ZINC000257182279	1059080078	/nfs/dbraw/zinc/08/00/78/1059080078.db2.gz	OVPFEHUCDOJMFK-RUZDIDTESA-N	0	0	511.688	3.465	50	0		KGAARN
O=C([C@H]1CCCN(S(=O)(=O)c2ccccc2)CCC(=O)NCC1)N1CCC(Cc2ccccc2)CC1	ZINC000257182280	1059080032	/nfs/dbraw/zinc/08/00/32/1059080032.db2.gz	OVPFEHUCDOJMFK-VWLOTQADSA-N	0	0	511.688	3.465	50	0		KGAARN
Cc1nn(C)c(C)c1CNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)CCc2nnc(-c3cccnc3)n2CC1	ZINC000257182361	1059080183	/nfs/dbraw/zinc/08/01/83/1059080183.db2.gz	GLKITFRBQHHVPM-HSZRJFAPSA-N	0	0	576.727	3.040	50	0		KGAARN
Cc1nn(C)c(C)c1CNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccccc2)CCc2nnc(-c3cccnc3)n2CC1	ZINC000257182366	1059080278	/nfs/dbraw/zinc/08/02/78/1059080278.db2.gz	GLKITFRBQHHVPM-QHCPKHFHSA-N	0	0	576.727	3.040	50	0		KGAARN
COc1ccc(C(=O)N2CCCCCCNC(=O)[C@@H]3C[C@@H](C(=O)N4CCc5ccccc5C4)C[C@@H]32)c(OC)n1	ZINC000257182733	1059080851	/nfs/dbraw/zinc/08/08/51/1059080851.db2.gz	GUMWFJUPWOZTQQ-GPXOXTDOSA-N	0	0	534.657	3.211	50	0		KGAARN
O=C(CC1CCCC1)N1CCCCCCNC(=O)[C@@H]2C[C@@H](C(=O)N3CCN(c4ccccn4)CC3)C[C@@H]21	ZINC000257183150	1059081170	/nfs/dbraw/zinc/08/11/70/1059081170.db2.gz	HFOHPDNKFWNVHM-SDHSZQHLSA-N	0	0	509.695	3.224	50	0		KGAARN
COc1cccc(NC(=O)[C@@H]2[C@@H](CO)[C@H](O)c3cc4c(cc3[C@@H]2c2cc(OC)c(OC)c(OC)c2)OCO4)c1	ZINC000257183529	1059081142	/nfs/dbraw/zinc/08/11/42/1059081142.db2.gz	HOZKUCYKADDLLZ-CBTSXZFNSA-N	0	0	537.565	3.492	50	0		KGAARN
COc1cc([C@@H]2c3cc4c(cc3[C@H](O)[C@@H](CO)[C@@H]2C(=O)N2CCC(C)CC2)OCO4)cc(OC)c1OC	ZINC000257183554	1059081549	/nfs/dbraw/zinc/08/15/49/1059081549.db2.gz	HQGWTWMHXGWAAO-JYVYKJRCSA-N	0	0	513.587	3.103	50	0		KGAARN
COc1ccc(CN2CCCN(S(=O)(=O)c3ccccc3)CCC(=O)NCC2)cc1Cc1c(C)noc1C	ZINC000257183641	1059547532	/nfs/dbraw/zinc/54/75/32/1059547532.db2.gz	RXWBQDXBWWLUKH-UHFFFAOYSA-N	0	0	540.686	3.294	50	0		KGAARN
O=C(COCc1ccccc1)N1CCCCCNC(=O)[C@H]2C[C@H](C(=O)N3CCc4ccccc4C3)C[C@H]21	ZINC000257183730	1059547287	/nfs/dbraw/zinc/54/72/87/1059547287.db2.gz	HVHRRUNKJCMHCO-GMQQYTKMSA-N	0	0	503.643	3.312	50	0		KGAARN
COc1cc([C@@H]2c3cc4c(cc3[C@H](O)[C@@H](CO)[C@@H]2C(=O)N2CCN(Cc3ccccc3)CC2)OCO4)cc(OC)c1OC	ZINC000257184002	1059081593	/nfs/dbraw/zinc/08/15/93/1059081593.db2.gz	ICZBBUMAQNRVRB-ONEAYSBLSA-N	0	0	590.673	3.189	50	0		KGAARN
O=C(NC1CCC1)[C@H]1CCCN(S(=O)(=O)c2ccccc2)CCc2nnc(-c3cccnc3)n2CC1	ZINC000257184255	1059547492	/nfs/dbraw/zinc/54/74/92/1059547492.db2.gz	UDLNFBBPDJWILX-FQEVSTJZSA-N	0	0	508.648	3.042	50	0		KGAARN
O=C(NC1CCC1)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)CCc2nnc(-c3cccnc3)n2CC1	ZINC000257184256	1059547581	/nfs/dbraw/zinc/54/75/81/1059547581.db2.gz	UDLNFBBPDJWILX-HXUWFJFHSA-N	0	0	508.648	3.042	50	0		KGAARN
O=C([C@@H]1C[C@H]2C(=O)NCCCCCCN(S(=O)(=O)c3cccc4cccnc43)[C@H]2C1)N1CCN(c2ccccn2)CC1	ZINC000257184360	1059081023	/nfs/dbraw/zinc/08/10/23/1059081023.db2.gz	ILZAMWQNLVWFPZ-CYXNTTPDSA-N	0	0	590.750	3.054	50	0		KGAARN
O=C(COc1ccc(F)cc1)N1CCCCCCNC(=O)[C@@H]2C[C@@H](c3nc(-c4cnccn4)no3)C[C@@H]21	ZINC000257184738	1059081842	/nfs/dbraw/zinc/08/18/42/1059081842.db2.gz	IVRRIKCHBXFNQU-ZNLUXHQJSA-N	0	0	508.554	3.126	50	0		KGAARN
COc1cccc(S(=O)(=O)N2CCCN(Cc3ccncc3)[C@@H](c3ccccc3)CC(=O)NCC2)c1	ZINC000257185300	1059081735	/nfs/dbraw/zinc/08/17/35/1059081735.db2.gz	WOVBHCPWIMPWOL-AREMUKBSSA-N	0	0	508.644	3.234	50	0		KGAARN
COc1cccc(S(=O)(=O)N2CCCN(Cc3ccncc3)[C@H](c3ccccc3)CC(=O)NCC2)c1	ZINC000257185301	1059081672	/nfs/dbraw/zinc/08/16/72/1059081672.db2.gz	WOVBHCPWIMPWOL-SANMLTNESA-N	0	0	508.644	3.234	50	0		KGAARN
Cc1nc2c(C(=O)N3CCc4c(c(-c5nncn5C)nn4C)C3)cnn2c(C)c1Cc1ccccc1Cl	ZINC000257185555	1059082197	/nfs/dbraw/zinc/08/21/97/1059082197.db2.gz	JPRYYRLDULLSSU-UHFFFAOYSA-N	0	0	516.009	3.318	50	0		KGAARN
O=C1C[C@H](c2ccccc2)N(Cc2ccncc2)CCCN(S(=O)(=O)c2cccc3nsnc32)CCN1	ZINC000257185630	1059548505	/nfs/dbraw/zinc/54/85/05/1059548505.db2.gz	XFVCLQBTOSICND-HSZRJFAPSA-N	0	0	536.683	3.231	50	0		KGAARN
O=C1C[C@@H](c2ccccc2)N(Cc2ccncc2)CCCN(S(=O)(=O)c2cccc3nsnc32)CCN1	ZINC000257185633	1059549077	/nfs/dbraw/zinc/54/90/77/1059549077.db2.gz	XFVCLQBTOSICND-QHCPKHFHSA-N	0	0	536.683	3.231	50	0		KGAARN
O=C([C@@H]1C[C@H]2C(=O)NCCCCCCN(S(=O)(=O)c3cccc4nsnc43)[C@H]2C1)N1CCc2ccccc2C1	ZINC000257185851	1059082094	/nfs/dbraw/zinc/08/20/94/1059082094.db2.gz	JWNJUJSHDWLQLX-AKFKNWHVSA-N	0	0	567.737	3.352	50	0		KGAARN
COc1ccc(CCNC(=O)[C@H]2[C@H](CO)[C@@H](O)c3cc4c(cc3[C@H]2c2cc(OC)c(OC)c(OC)c2)OCO4)cc1OC	ZINC000257185889	1059081570	/nfs/dbraw/zinc/08/15/70/1059081570.db2.gz	JXYIZGKGPQYSFK-MMNYTADISA-N	0	0	595.645	3.221	50	0		KGAARN
CC(C)CNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccccc2)CCc2nnc(-c3cccnc3)n2CC1	ZINC000257186391	1059548604	/nfs/dbraw/zinc/54/86/04/1059548604.db2.gz	ZAQLZVGJJNPETB-NRFANRHFSA-N	0	0	510.664	3.146	50	0		KGAARN
CC(C)CNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)CCc2nnc(-c3cccnc3)n2CC1	ZINC000257186393	1059082072	/nfs/dbraw/zinc/08/20/72/1059082072.db2.gz	ZAQLZVGJJNPETB-OAQYLSRUSA-N	0	0	510.664	3.146	50	0		KGAARN
COc1ccc(C2(C(=O)N3CCCCCCNC(=O)[C@@H]4C[C@@H](C(=O)N5CCN(c6ccccn6)CC5)C[C@@H]43)CC2)cc1	ZINC000257186587	1059548417	/nfs/dbraw/zinc/54/84/17/1059548417.db2.gz	KOVUGCFIUZUFFF-RTVRTQBESA-N	0	0	573.738	3.384	50	0		KGAARN
Cc1cccc(C(=O)N2CCCCCCNC(=O)[C@@H]3C[C@@H](C(=O)N4CCN(c5ccccn5)CC4)C[C@@H]32)c1	ZINC000257186969	1059082119	/nfs/dbraw/zinc/08/21/19/1059082119.db2.gz	LBSITHKRETUVSW-CYXNTTPDSA-N	0	0	517.674	3.266	50	0		KGAARN
O=C(COc1ccc(F)cc1)N1CCCCCNC(=O)[C@H]2C[C@H](C(=O)N3CCc4ccccc4C3)C[C@H]21	ZINC000257187039	1059549235	/nfs/dbraw/zinc/54/92/35/1059549235.db2.gz	LFURZICBFNUORU-UCGXPXSYSA-N	0	0	507.606	3.313	50	0		KGAARN
COc1ccc(OC)c(S(=O)(=O)N2CCCCCCNC(=O)[C@@H]3C[C@@H](c4nc(-c5cccnc5)no4)C[C@@H]32)c1	ZINC000257187747	1059549258	/nfs/dbraw/zinc/54/92/58/1059549258.db2.gz	MBIUOSXZGGMMAH-FCEUIQTBSA-N	0	0	555.657	3.392	50	0		KGAARN
COc1cc([C@@H]2c3cc4c(cc3[C@H](O)[C@@H](CO)[C@@H]2C(=O)NCc2cc(F)cc(F)c2)OCO4)cc(OC)c1OC	ZINC000257187972	1059082036	/nfs/dbraw/zinc/08/20/36/1059082036.db2.gz	MHVVYXNEFLAKMB-JYIOINSGSA-N	0	0	557.546	3.439	50	0		KGAARN
COc1cc([C@@H]2c3cc4c(cc3[C@H](O)[C@@H](CO)[C@@H]2C(=O)N2CCN(c3ccccc3F)CC2)OCO4)cc(OC)c1OC	ZINC000257187979	1059082267	/nfs/dbraw/zinc/08/22/67/1059082267.db2.gz	MIAQTYSEDLBIHU-MMNYTADISA-N	0	0	594.636	3.333	50	0		KGAARN
COc1ccc(C(=O)N2CCCCCCNC(=O)[C@@H]3C[C@@H](c4nc(-c5cnccn5)no4)C[C@@H]32)cc1F	ZINC000257188946	1059082224	/nfs/dbraw/zinc/08/22/24/1059082224.db2.gz	NGGJAGFLPYKMHT-OPYAIIAOSA-N	0	0	508.554	3.369	50	0		KGAARN
COc1ccc(C(=O)N2CCCCCNC(=O)[C@H]3C[C@H](C(=O)N4CCc5ccccc5C4)C[C@H]32)c(OC)c1	ZINC000257189144	1059549057	/nfs/dbraw/zinc/54/90/57/1059549057.db2.gz	NLCOILZRIJMOEH-UCGXPXSYSA-N	0	0	519.642	3.426	50	0		KGAARN
COc1cc([C@@H]2c3cc4c(cc3[C@H](O)[C@@H](CO)[C@@H]2C(=O)N2CCN(c3ccc(F)cc3)CC2)OCO4)cc(OC)c1OC	ZINC000257189761	1059549168	/nfs/dbraw/zinc/54/91/68/1059549168.db2.gz	OBKHECHBGWRKBV-UUAGDVGUSA-N	0	0	594.636	3.333	50	0		KGAARN
COc1cc([C@@H]2c3cc4c(cc3[C@H](O)[C@@H](CO)[C@@H]2C(=O)NCc2ccc(C)o2)OCO4)cc(OC)c1OC	ZINC000257189922	1059549146	/nfs/dbraw/zinc/54/91/46/1059549146.db2.gz	OEJVFCQDRCHCOM-JYVYKJRCSA-N	0	0	525.554	3.063	50	0		KGAARN
COc1cc([C@@H]2c3cc4c(cc3[C@H](O)[C@@H](CO)[C@@H]2C(=O)N2CCCCCC2)OCO4)cc(OC)c1OC	ZINC000257190150	1059082637	/nfs/dbraw/zinc/08/26/37/1059082637.db2.gz	OKSWJSPCAFQOTF-JYVYKJRCSA-N	0	0	513.587	3.247	50	0		KGAARN
Cc1cc(C(F)(F)F)nn1CC(=O)N1CCCCCNC(=O)[C@H]2C[C@H](C(=O)N3CCc4ccccc4C3)C[C@H]21	ZINC000257190621	1059082682	/nfs/dbraw/zinc/08/26/82/1059082682.db2.gz	OWNZFUJZHXWVJI-RJGXRXQPSA-N	0	0	545.606	3.319	50	0		KGAARN
COc1cc([C@H]2c3cc4c(cc3[C@@H](O)[C@H](CO)[C@H]2C(=O)Nc2ccccc2)OCO4)cc(OC)c1OC	ZINC000257190815	1059082583	/nfs/dbraw/zinc/08/25/83/1059082583.db2.gz	PATGDUUBVJHVML-NRVHTZAHSA-N	0	0	507.539	3.483	50	0		KGAARN
Cn1nc(C(=O)N2CCCCCNC(=O)[C@H]3C[C@H](C(=O)N4CCc5ccccc5C4)C[C@H]32)c2ccccc21	ZINC000257191101	1059082767	/nfs/dbraw/zinc/08/27/67/1059082767.db2.gz	PITXTMRRDQHOBE-LLZJGCNPSA-N	0	0	513.642	3.295	50	0		KGAARN
O=C1NCCCCCCN(S(=O)(=O)c2cccs2)[C@H]2C[C@H](c3nc(-c4cccnc4)no3)C[C@@H]12	ZINC000257191197	1059082662	/nfs/dbraw/zinc/08/26/62/1059082662.db2.gz	PMPYTGQEJPGJMR-QRVBRYPASA-N	0	0	501.634	3.436	50	0		KGAARN
COc1cc([C@@H]2c3cc4c(cc3[C@H](O)[C@@H](CO)[C@@H]2C(=O)N2CCN(Cc3ccccc3F)CC2)OCO4)cc(OC)c1OC	ZINC000257191377	1059082819	/nfs/dbraw/zinc/08/28/19/1059082819.db2.gz	PQWGESBXDGSMSE-FZOKDMSLSA-N	0	0	608.663	3.328	50	0		KGAARN
COc1cccc(CNC(=O)[C@H]2[C@H](CO)[C@@H](O)c3cc4c(cc3[C@H]2c2cc(OC)c(OC)c(OC)c2)OCO4)c1OC	ZINC000257192249	1059082796	/nfs/dbraw/zinc/08/27/96/1059082796.db2.gz	QLEJVEVUPVYCEH-XERNUKRASA-N	0	0	581.618	3.178	50	0		KGAARN
COc1cc([C@@H]2c3cc4c(cc3[C@H](O)[C@@H](CO)[C@@H]2C(=O)NCc2cc(F)ccc2F)OCO4)cc(OC)c1OC	ZINC000257192510	1059549286	/nfs/dbraw/zinc/54/92/86/1059549286.db2.gz	QSYNSRQOABDSKL-VIIGGRGYSA-N	0	0	557.546	3.439	50	0		KGAARN
Cn1cnc(S(=O)(=O)N2CCCN(Cc3c[nH]nc3-c3cccs3)CCNC(=O)C[C@@H]2c2ccccc2)c1	ZINC000257192831	1059083355	/nfs/dbraw/zinc/08/33/55/1059083355.db2.gz	QZVILPMBUQQEGX-JOCHJYFZSA-N	0	0	553.714	3.016	50	0		KGAARN
Cn1cnc(S(=O)(=O)N2CCCN(Cc3c[nH]nc3-c3cccs3)CCNC(=O)C[C@H]2c2ccccc2)c1	ZINC000257192832	1059083203	/nfs/dbraw/zinc/08/32/03/1059083203.db2.gz	QZVILPMBUQQEGX-QFIPXVFZSA-N	0	0	553.714	3.016	50	0		KGAARN
COc1cc([C@@H]2c3cc4c(cc3[C@H](O)[C@@H](CO)[C@@H]2C(=O)N2CCN(c3ccccc3)CC2)OCO4)cc(OC)c1OC	ZINC000257192833	1059549675	/nfs/dbraw/zinc/54/96/75/1059549675.db2.gz	QZVKGFMTUBTFHP-UUAGDVGUSA-N	0	0	576.646	3.194	50	0		KGAARN
COc1cccc(CC(=O)N2CCCCCCNC(=O)[C@H]3C[C@H](c4nc(-c5cnccn5)no4)C[C@H]32)c1	ZINC000257193705	1059083048	/nfs/dbraw/zinc/08/30/48/1059083048.db2.gz	RYWQWFKYGNKXCQ-IEIRFRATSA-N	0	0	504.591	3.159	50	0		KGAARN
CCCN(CC1CC1)C(=O)[C@H]1[C@H](CO)[C@@H](O)c2cc3c(cc2[C@H]1c1cc(OC)c(OC)c(OC)c1)OCO3	ZINC000257194317	1059083288	/nfs/dbraw/zinc/08/32/88/1059083288.db2.gz	TVJGFOMFIUGUBE-JYIOINSGSA-N	0	0	527.614	3.493	50	0		KGAARN
COc1cccc(S(=O)(=O)N2CCCCCCNC(=O)[C@@H]3C[C@@H](c4nc(-c5cccnc5)no4)C[C@@H]32)c1	ZINC000257194443	1059083266	/nfs/dbraw/zinc/08/32/66/1059083266.db2.gz	UBJGVVYUTPYRBF-PTUXOGIPSA-N	0	0	525.631	3.384	50	0		KGAARN
Cc1noc(C)c1CCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)CCc2nnc(-c3cccnc3)n2CC1	ZINC000257194642	1059083852	/nfs/dbraw/zinc/08/38/52/1059083852.db2.gz	ULFBGIVOGDOGGG-HSZRJFAPSA-N	0	0	577.711	3.337	50	0		KGAARN
Cc1noc(C)c1CCNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccccc2)CCc2nnc(-c3cccnc3)n2CC1	ZINC000257194643	1059083624	/nfs/dbraw/zinc/08/36/24/1059083624.db2.gz	ULFBGIVOGDOGGG-QHCPKHFHSA-N	0	0	577.711	3.337	50	0		KGAARN
O=C(Cc1cccc(F)c1)N1CCCCCCNC(=O)[C@@H]2C[C@@H](C(=O)N3CCN(c4ccccn4)CC3)C[C@@H]21	ZINC000257194753	1059083950	/nfs/dbraw/zinc/08/39/50/1059083950.db2.gz	UPMZATLENSCDED-ARMFNRFLSA-N	0	0	535.664	3.026	50	0		KGAARN
CCC(CC)NC(=O)[C@H]1[C@H](CO)[C@@H](O)c2cc3c(cc2[C@H]1c1cc(OC)c(OC)c(OC)c1)OCO3	ZINC000257194927	1059083657	/nfs/dbraw/zinc/08/36/57/1059083657.db2.gz	UYXWTEUQWKHNOK-PVUOONDNSA-N	0	0	501.576	3.150	50	0		KGAARN
O=C([C@@H]1C[C@H]2C(=O)NCCCCCCN(S(=O)(=O)c3ccccc3)[C@H]2C1)N1CCc2ccccc2C1	ZINC000257194931	1059083876	/nfs/dbraw/zinc/08/38/76/1059083876.db2.gz	UZIPMELJQQTIEM-ARMFNRFLSA-N	0	0	509.672	3.347	50	0		KGAARN
COc1ccc(CNC(=O)N2CCCCCCNC(=O)[C@@H]3C[C@@H](C(=O)N4CCN(c5ccccn5)CC4)C[C@@H]32)cc1	ZINC000257195057	1059083308	/nfs/dbraw/zinc/08/33/08/1059083308.db2.gz	VHELMXDXKHXFIL-IEUSDUHPSA-N	0	0	562.715	3.036	50	0		KGAARN
COc1cc([C@@H]2c3cc4c(cc3[C@H](O)[C@@H](CO)[C@@H]2C(=O)NCc2ccccc2F)OCO4)cc(OC)c1OC	ZINC000257195090	1059083182	/nfs/dbraw/zinc/08/31/82/1059083182.db2.gz	VJECXFYZGBDHLC-VIIGGRGYSA-N	0	0	539.556	3.300	50	0		KGAARN
Cn1cnnc1-c1nn(C)c2c1CN(C(=O)c1c3c(nc4ccccc41)C(=O)N(C1CCCCC1)C3)CC2	ZINC000257195299	1059083925	/nfs/dbraw/zinc/08/39/25/1059083925.db2.gz	VUHIJBCAGUSZRQ-UHFFFAOYSA-N	0	0	510.602	3.251	50	0		KGAARN
O=C([C@@H]1C[C@H]2C(=O)NCCCCCCN(C(=O)C3CCCCC3)[C@H]2C1)N1CCN(c2ccccn2)CC1	ZINC000257195812	1059084164	/nfs/dbraw/zinc/08/41/64/1059084164.db2.gz	WYJWOPGODKVMSF-SDHSZQHLSA-N	0	0	509.695	3.224	50	0		KGAARN
COc1ccccc1CNC(=O)[C@H]1[C@H](CO)[C@@H](O)c2cc3c(cc2[C@H]1c1cc(OC)c(OC)c(OC)c1)OCO3	ZINC000257196355	1059549943	/nfs/dbraw/zinc/54/99/43/1059549943.db2.gz	YBRDITJKSCPKJM-XERNUKRASA-N	0	0	551.592	3.170	50	0		KGAARN
COc1cc([C@@H]2c3cc4c(cc3[C@H](O)[C@@H](CO)[C@@H]2C(=O)N2CCc3ccccc32)OCO4)cc(OC)c1OC	ZINC000257196615	1059083901	/nfs/dbraw/zinc/08/39/01/1059083901.db2.gz	YODBVJADGBVSLL-XERNUKRASA-N	0	0	533.577	3.434	50	0		KGAARN
COc1cc([C@@H]2c3cc4c(cc3[C@H](O)[C@@H](CO)[C@@H]2C(=O)NCc2ccccc2C)OCO4)cc(OC)c1OC	ZINC000257196832	1059083826	/nfs/dbraw/zinc/08/38/26/1059083826.db2.gz	YYMACXRYQZYIMO-RGVCCXDYSA-N	0	0	535.593	3.470	50	0		KGAARN
COc1cc([C@@H]2c3cc4c(cc3[C@H](O)[C@@H](CO)[C@@H]2C(=O)NCCc2ccccc2)OCO4)cc(OC)c1OC	ZINC000257197127	1059084473	/nfs/dbraw/zinc/08/44/73/1059084473.db2.gz	ZMVVYMKISUVNFD-RGVCCXDYSA-N	0	0	535.593	3.204	50	0		KGAARN
CO[C@@H]1[C@@H](O)[C@H](O[C@H]2CC[C@]3(C)[C@@H]4CC[C@]5(C)[C@H](C6=CC(=O)OC6)CC[C@]5(O)[C@H]4CC[C@H]3C2)O[C@@H](C)[C@@H]1O	ZINC000257345487	1059556618	/nfs/dbraw/zinc/55/66/18/1059556618.db2.gz	VPUNMTHWNSJUOG-AKDCSSSESA-N	0	0	534.690	3.110	50	0		KGAARN
CO[C@H]1[C@@H](O)[C@H](O[C@H]2CC[C@]3(C)[C@@H]4CC[C@]5(C)[C@H](C6=CC(=O)OC6)CC[C@]5(O)[C@H]4CC[C@H]3C2)O[C@@H](C)[C@@H]1O	ZINC000257345488	1059556637	/nfs/dbraw/zinc/55/66/37/1059556637.db2.gz	VPUNMTHWNSJUOG-DOTOWNNZSA-N	0	0	534.690	3.110	50	0		KGAARN
CO[C@H]1[C@@H](O)[C@H](O[C@H]2CC[C@]3(C)[C@@H]4CC[C@]5(C)[C@H](C6=CC(=O)OC6)CC[C@]5(O)[C@H]4CC[C@H]3C2)O[C@@H](C)[C@H]1O	ZINC000257345489	1059556676	/nfs/dbraw/zinc/55/66/76/1059556676.db2.gz	VPUNMTHWNSJUOG-LQJYXIRPSA-N	0	0	534.690	3.110	50	0		KGAARN
CO[C@@H]1[C@@H](O)[C@H](O[C@H]2CC[C@]3(C)[C@@H]4CC[C@]5(C)[C@H](C6=CC(=O)OC6)CC[C@]5(O)[C@H]4CC[C@H]3C2)O[C@@H](C)[C@H]1O	ZINC000257345490	1059556589	/nfs/dbraw/zinc/55/65/89/1059556589.db2.gz	VPUNMTHWNSJUOG-MLPKXNGUSA-N	0	0	534.690	3.110	50	0		KGAARN
CO[C@H]1[C@@H](OC(C)=O)[C@@H](O[C@@H]2CC[C@]3(C)[C@@H]4CC[C@]5(C)[C@H](C6=CC(=O)OC6)CC[C@]5(O)[C@H]4CC[C@@]3(O)C2)O[C@@H](C)[C@@H]1OC(C)=O	ZINC000257347071	572320635	/nfs/dbraw/zinc/32/06/35/572320635.db2.gz	QTKBDFJFNUTVKR-AHJCERBFSA-N	0	0	634.763	3.367	50	0		KGAARN
CO[C@H]1[C@@H](OC(C)=O)[C@@H](O[C@@H]2CC[C@]3(C)[C@@H]4CC[C@]5(C)[C@H](C6=CC(=O)OC6)CC[C@]5(O)[C@H]4CC[C@]3(O)C2)O[C@@H](C)[C@@H]1OC(C)=O	ZINC000257347072	572320627	/nfs/dbraw/zinc/32/06/27/572320627.db2.gz	QTKBDFJFNUTVKR-CSLYYHCYSA-N	0	0	634.763	3.367	50	0		KGAARN
CO[C@H]1[C@@H](OC(C)=O)[C@@H](O[C@@H]2CC[C@]3(C)[C@@H]4CC[C@]5(C)[C@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)O[C@@H](C)[C@@H]1OC(C)=O	ZINC000257347073	572320631	/nfs/dbraw/zinc/32/06/31/572320631.db2.gz	QTKBDFJFNUTVKR-IGBFJOHBSA-N	0	0	634.763	3.367	50	0		KGAARN
CO[C@H]1[C@@H](OC(C)=O)[C@@H](O[C@@H]2CC[C@]3(C)[C@@H]4CC[C@]5(C)[C@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@@]3(O)C2)O[C@@H](C)[C@@H]1OC(C)=O	ZINC000257347074	572320639	/nfs/dbraw/zinc/32/06/39/572320639.db2.gz	QTKBDFJFNUTVKR-PTXFDBEESA-N	0	0	634.763	3.367	50	0		KGAARN
COC(=O)[C@H]1O[C@@H]2O[C@](C)(O[C@@H]3CC[C@]4(C)[C@H](CC[C@@H]5[C@@H]6CC[C@H](C(=O)COC(C)=O)[C@@]6(C)CC(=O)[C@H]54)C3)O[C@@H]2[C@@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000257349474	572321582	/nfs/dbraw/zinc/32/15/82/572321582.db2.gz	OJZTVUNGRZHGHO-BKZISAHASA-N	0	0	706.782	3.192	50	0		KGAARN
COC(=O)[C@H]1O[C@@H]2O[C@](C)(O[C@@H]3CC[C@]4(C)[C@H](CC[C@@H]5[C@@H]6CC[C@H](C(=O)COC(C)=O)[C@]6(C)CC(=O)[C@H]54)C3)O[C@@H]2[C@@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000257349475	572321585	/nfs/dbraw/zinc/32/15/85/572321585.db2.gz	OJZTVUNGRZHGHO-JBFZGDHVSA-N	0	0	706.782	3.192	50	0		KGAARN
COC(=O)[C@H]1O[C@@H]2O[C@](C)(O[C@@H]3CC[C@]4(C)[C@H](CC[C@@H]5[C@@H]6CC[C@H](C(=O)COC(C)=O)[C@]6(C)CC(=O)[C@@H]54)C3)O[C@@H]2[C@@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000257349476	572321607	/nfs/dbraw/zinc/32/16/07/572321607.db2.gz	OJZTVUNGRZHGHO-UMBLHFJFSA-N	0	0	706.782	3.192	50	0		KGAARN
COC(=O)[C@H]1O[C@@H]2O[C@](C)(O[C@@H]3CC[C@]4(C)[C@H](CC[C@@H]5[C@@H]6CC[C@H](C(=O)COC(C)=O)[C@@]6(C)CC(=O)[C@@H]54)C3)O[C@@H]2[C@@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000257349477	572321588	/nfs/dbraw/zinc/32/15/88/572321588.db2.gz	OJZTVUNGRZHGHO-USTDRMMISA-N	0	0	706.782	3.192	50	0		KGAARN
O=C(CCC(=O)NN=Cc1cc(Br)ccc1O)NN=Cc1cc(Br)ccc1O	ZINC000257354180	572321816	/nfs/dbraw/zinc/32/18/16/572321816.db2.gz	WDZIBWLXCKLOOV-UHFFFAOYSA-N	0	0	512.158	3.003	50	0		KGAARN
CC(=O)O[C@H]1O[C@@H](COP(=O)(Oc2ccccc2)Oc2ccccc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000257354989	1059557061	/nfs/dbraw/zinc/55/70/61/1059557061.db2.gz	IKZZNFIJWMQZMQ-BONDPLATSA-N	0	0	580.479	3.352	50	0		KGAARN
CC(=O)O[C@@H]1[C@@H](OC(C)=O)[C@H](COP(=O)(Oc2ccccc2)Oc2ccccc2)O[C@@H](OC(C)=O)[C@H]1OC(C)=O	ZINC000257354990	1059557042	/nfs/dbraw/zinc/55/70/42/1059557042.db2.gz	IKZZNFIJWMQZMQ-HEXNFIEUSA-N	0	0	580.479	3.352	50	0		KGAARN
C[C@@H]1O[C@@H](O[C@@H]2C=C3CC[C@H]4[C@@H](CC[C@@]5(C)[C@@H](c6ccc(=O)oc6)CC[C@]45O)[C@@]3(C)CC2)[C@H](O)[C@H](O)[C@H]1O	ZINC000257355131	572321859	/nfs/dbraw/zinc/32/18/59/572321859.db2.gz	MYEJFUXQJGHEQK-BBKYGEPMSA-N	0	0	530.658	3.014	50	0		KGAARN
C[C@@H]1O[C@@H](O[C@@H]2C=C3CC[C@H]4[C@@H](CC[C@@]5(C)[C@H](c6ccc(=O)oc6)CC[C@]45O)[C@@]3(C)CC2)[C@H](O)[C@H](O)[C@H]1O	ZINC000257355132	572321876	/nfs/dbraw/zinc/32/18/76/572321876.db2.gz	MYEJFUXQJGHEQK-GHGXHNMCSA-N	0	0	530.658	3.014	50	0		KGAARN
C[C@@H]1O[C@@H](O[C@@H]2C=C3CC[C@H]4[C@@H](CC[C@]5(C)[C@H](c6ccc(=O)oc6)CC[C@]45O)[C@@]3(C)CC2)[C@H](O)[C@H](O)[C@H]1O	ZINC000257355133	572321869	/nfs/dbraw/zinc/32/18/69/572321869.db2.gz	MYEJFUXQJGHEQK-RQSMTGAFSA-N	0	0	530.658	3.014	50	0		KGAARN
COC(=O)C1C(=O)[C@H](C(=O)OC)[C@]23CCCCCCCCCC[C@]12[C@@H](C(=O)OC)C(=O)C3C(=O)OC	ZINC000257357504	572322045	/nfs/dbraw/zinc/32/20/45/572322045.db2.gz	OJUISKKJLWXGOX-KYFMMTOZSA-N	0	0	508.564	3.450	50	0		KGAARN
COC(=O)C1C(=O)[C@@H](C(=O)OC)[C@]23CCCCCCCCCC[C@]12[C@@H](C(=O)OC)C(=O)C3C(=O)OC	ZINC000257357505	572322043	/nfs/dbraw/zinc/32/20/43/572322043.db2.gz	OJUISKKJLWXGOX-UYLXIHADSA-N	0	0	508.564	3.450	50	0		KGAARN
C[C@@H]1C[C@H]2O[C@]3(C[C@@]4(C)[C@@H]5[C@H](O)C[C@H]6[C@]7(C[C@@]57CC[C@]4(C)[C@H]13)CC[C@@H](O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O)C6(C)C)O[C@H]2C(C)(C)O	ZINC000257361210	572322229	/nfs/dbraw/zinc/32/22/29/572322229.db2.gz	MKQCLTNEQAMHGK-GGLVSZEZSA-N	0	0	620.824	3.121	50	0		KGAARN
C[C@@H]1C[C@H]2O[C@]3(C[C@@]4(C)[C@@H]5[C@H](O)C[C@H]6[C@]7(C[C@@]57CC[C@]4(C)[C@H]13)CC[C@@H](O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O)C6(C)C)O[C@@H]2C(C)(C)O	ZINC000257361212	572322225	/nfs/dbraw/zinc/32/22/25/572322225.db2.gz	MKQCLTNEQAMHGK-GJAGYXHQSA-N	0	0	620.824	3.121	50	0		KGAARN
C[C@@H]1C[C@H]2O[C@]3(C[C@@]4(C)[C@@H]5[C@H](O)C[C@H]6[C@]7(C[C@@]57CC[C@]4(C)[C@@H]13)CC[C@@H](O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O)C6(C)C)O[C@H]2C(C)(C)O	ZINC000257361213	572322242	/nfs/dbraw/zinc/32/22/42/572322242.db2.gz	MKQCLTNEQAMHGK-HFAPESCQSA-N	0	0	620.824	3.121	50	0		KGAARN
C[C@@H]1C[C@H]2O[C@]3(C[C@@]4(C)[C@@H]5[C@@H](O)C[C@H]6[C@]7(C[C@@]57CC[C@]4(C)[C@H]13)CC[C@@H](O[C@@H]1OC[C@H](O)[C@H](O)[C@@H]1O)C6(C)C)O[C@H]2C(C)(C)O	ZINC000257361214	572322237	/nfs/dbraw/zinc/32/22/37/572322237.db2.gz	MKQCLTNEQAMHGK-KTUWSQBHSA-N	0	0	620.824	3.121	50	0		KGAARN
C[C@@H]1C[C@H]2O[C@]3(C[C@@]4(C)[C@@H]5[C@@H](O)C[C@H]6[C@]7(C[C@@]57CC[C@]4(C)[C@@H]13)CC[C@@H](O[C@@H]1OC[C@H](O)[C@H](O)[C@@H]1O)C6(C)C)O[C@@H]2C(C)(C)O	ZINC000257361215	572322224	/nfs/dbraw/zinc/32/22/24/572322224.db2.gz	MKQCLTNEQAMHGK-MAYBSKRNSA-N	0	0	620.824	3.121	50	0		KGAARN
C[C@@H]1C[C@H]2O[C@]3(C[C@@]4(C)[C@@H]5[C@@H](O)C[C@H]6[C@]7(C[C@@]57CC[C@]4(C)[C@H]13)CC[C@@H](O[C@@H]1OC[C@H](O)[C@H](O)[C@@H]1O)C6(C)C)O[C@@H]2C(C)(C)O	ZINC000257361216	572322231	/nfs/dbraw/zinc/32/22/31/572322231.db2.gz	MKQCLTNEQAMHGK-MRNAZTEMSA-N	0	0	620.824	3.121	50	0		KGAARN
C[C@@H]1C[C@H]2O[C@]3(C[C@@]4(C)[C@@H]5[C@H](O)C[C@H]6[C@]7(C[C@@]57CC[C@]4(C)[C@@H]13)CC[C@@H](O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O)C6(C)C)O[C@@H]2C(C)(C)O	ZINC000257361217	572322234	/nfs/dbraw/zinc/32/22/34/572322234.db2.gz	MKQCLTNEQAMHGK-PZPJFASCSA-N	0	0	620.824	3.121	50	0		KGAARN
C[C@@H]1C[C@H]2O[C@]3(C[C@@]4(C)[C@@H]5[C@@H](O)C[C@H]6[C@]7(C[C@@]57CC[C@]4(C)[C@@H]13)CC[C@@H](O[C@@H]1OC[C@H](O)[C@H](O)[C@@H]1O)C6(C)C)O[C@H]2C(C)(C)O	ZINC000257361218	572322241	/nfs/dbraw/zinc/32/22/41/572322241.db2.gz	MKQCLTNEQAMHGK-XJXJIZDISA-N	0	0	620.824	3.121	50	0		KGAARN
O=CN1CCN(C(=O)C2CCN(Cc3nc4ccccc4n3-c3ccc(Br)cc3)CC2)CC1	ZINC000261490740	572109553	/nfs/dbraw/zinc/10/95/53/572109553.db2.gz	AIEWIXZXPPGSTG-UHFFFAOYSA-N	0	0	510.436	3.301	50	0		KGAARN
CNN1CCN(C(=O)C2CCN(Cc3nc4ccccc4n3-c3cccc(Br)c3)CC2)CC1	ZINC000261490885	572109741	/nfs/dbraw/zinc/10/97/41/572109741.db2.gz	MOYWUHRLRBMQCA-UHFFFAOYSA-N	0	0	511.468	3.279	50	0		KGAARN
CNN1CCN(C(=O)C2CCN(Cc3nc4ccccc4n3-c3ccc(Br)cc3)CC2)CC1	ZINC000261490978	572109626	/nfs/dbraw/zinc/10/96/26/572109626.db2.gz	UMIIUHDPMUVYJC-UHFFFAOYSA-N	0	0	511.468	3.279	50	0		KGAARN
COc1ccc(CCNS(=O)(=O)/C=C/c2ccc(S(=O)(=O)NCCc3ccc(OC)c(OC)c3)cc2)cc1OC	ZINC000261491568	572110156	/nfs/dbraw/zinc/11/01/56/572110156.db2.gz	YOSNJEQVNZXDGM-OBGWFSINSA-N	0	0	590.720	3.375	50	0		KGAARN
O=CN1CCN(C(=O)[C@H]2CCC[N@@H+](Cc3nc4ccccc4n3-c3ccc(Br)cc3)C2)CC1	ZINC000261492698	572110892	/nfs/dbraw/zinc/11/08/92/572110892.db2.gz	ONHKBGLDXBMJJU-IBGZPJMESA-N	0	0	510.436	3.301	50	0		KGAARN
O=CN1CCN(C(=O)[C@@H]2CCC[N@@H+](Cc3nc4ccccc4n3-c3ccc(Br)cc3)C2)CC1	ZINC000261492699	572110976	/nfs/dbraw/zinc/11/09/76/572110976.db2.gz	ONHKBGLDXBMJJU-LJQANCHMSA-N	0	0	510.436	3.301	50	0		KGAARN
CNN1CCN(C(=O)[C@H]2CCC[N@H+](Cc3nc4ccccc4n3-c3ccc(Br)cc3)C2)CC1	ZINC000261492701	572110791	/nfs/dbraw/zinc/11/07/91/572110791.db2.gz	QDLAXZXSAWSXOV-IBGZPJMESA-N	0	0	511.468	3.279	50	0		KGAARN
CNN1CCN(C(=O)[C@@H]2CCC[N@H+](Cc3nc4ccccc4n3-c3ccc(Br)cc3)C2)CC1	ZINC000261492702	572110901	/nfs/dbraw/zinc/11/09/01/572110901.db2.gz	QDLAXZXSAWSXOV-LJQANCHMSA-N	0	0	511.468	3.279	50	0		KGAARN
O=CN1CCN(C(=O)C2CCN(Cc3nc4ccccc4n3-c3cccc(Br)c3)CC2)CC1	ZINC000261492722	572110780	/nfs/dbraw/zinc/11/07/80/572110780.db2.gz	UAGPERWIQWMFHV-UHFFFAOYSA-N	0	0	510.436	3.301	50	0		KGAARN
CNN1CCN(C(=O)[C@H]2CCC[N@H+](Cc3nc4ccccc4n3-c3cccc(Br)c3)C2)CC1	ZINC000261492723	572110760	/nfs/dbraw/zinc/11/07/60/572110760.db2.gz	USYODZWCXUGSRG-IBGZPJMESA-N	0	0	511.468	3.279	50	0		KGAARN
CNN1CCN(C(=O)[C@@H]2CCC[N@H+](Cc3nc4ccccc4n3-c3cccc(Br)c3)C2)CC1	ZINC000261492724	572110742	/nfs/dbraw/zinc/11/07/42/572110742.db2.gz	USYODZWCXUGSRG-LJQANCHMSA-N	0	0	511.468	3.279	50	0		KGAARN
COC(=O)C1=CCC[C@@H]2[C@@]1(C)[C@@H]1C[C@@H](C(=O)O1)[C@@]2(C)C[C@@H](O[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O)c1ccoc1	ZINC000261492801	572110786	/nfs/dbraw/zinc/11/07/86/572110786.db2.gz	DNNSWKQEYGCODF-ZKZMYVONSA-N	0	0	704.722	3.278	50	0		KGAARN
FC(F)(F)c1cnc(OCc2nnn(CCC3OCCO3)c2I)c(Cl)c1	ZINC000261495025	1059005617	/nfs/dbraw/zinc/00/56/17/1059005617.db2.gz	OYUGIGHEZAEYFV-UHFFFAOYSA-N	0	0	504.634	3.292	50	0		KGAARN
COC(=O)C[C@@H](c1ccc(OC)c(O)c1)c1oc(CN2CCc3cc(OC)c(OC)cc3C2)cc(=O)c1O	ZINC000263584947	572115793	/nfs/dbraw/zinc/11/57/93/572115793.db2.gz	CIHGERLQPOZJIA-FQEVSTJZSA-N	0	0	525.554	3.330	50	0		KGAARN
COC(=O)C[C@H](c1ccc(OC)c(O)c1)c1oc(CN2CCc3cc(OC)c(OC)cc3C2)cc(=O)c1O	ZINC000263584948	572115725	/nfs/dbraw/zinc/11/57/25/572115725.db2.gz	CIHGERLQPOZJIA-HXUWFJFHSA-N	0	0	525.554	3.330	50	0		KGAARN
COc1cc2c(c(OC)c1OC)-c1ccc(N[C@H](C(=O)N3CCN(S(=O)(=O)C(C)C)CC3)C(C)C)c(=O)cc1[C@@H](NC(C)=O)CC2	ZINC000263585093	572116971	/nfs/dbraw/zinc/11/69/71/572116971.db2.gz	DZSICIZWGMPDEC-QCDSWUKFSA-N	0	0	658.818	3.182	50	0		KGAARN
COc1cc2c(c(OC)c1OC)-c1ccc(NCCCCCC(=O)N[C@@H]3CCS(=O)(=O)C3)c(=O)cc1[C@@H](NC(C)=O)CC2	ZINC000263585135	572116976	/nfs/dbraw/zinc/11/69/76/572116976.db2.gz	FMWBKTJQIPBLHJ-QPPBQGQZSA-N	0	0	615.749	3.139	50	0		KGAARN
COc1cc2c(c(OC)c1OC)-c1ccc(NCCCCCC(=O)N[C@H]3CCS(=O)(=O)C3)c(=O)cc1[C@@H](NC(C)=O)CC2	ZINC000263585136	572117039	/nfs/dbraw/zinc/11/70/39/572117039.db2.gz	FMWBKTJQIPBLHJ-URXFXBBRSA-N	0	0	615.749	3.139	50	0		KGAARN
COC(=O)C[C@H](c1ccc(OC)c(CO)c1)c1oc(CN2CCc3cc(OC)c(OC)cc3C2)cc(=O)c1O	ZINC000263585225	572117693	/nfs/dbraw/zinc/11/76/93/572117693.db2.gz	GMVRGGULWXECFB-JOCHJYFZSA-N	0	0	539.581	3.117	50	0		KGAARN
COC(=O)C[C@@H](c1ccc(OC)c(CO)c1)c1oc(CN2CCc3cc(OC)c(OC)cc3C2)cc(=O)c1O	ZINC000263585226	572117560	/nfs/dbraw/zinc/11/75/60/572117560.db2.gz	GMVRGGULWXECFB-QFIPXVFZSA-N	0	0	539.581	3.117	50	0		KGAARN
COC(=O)C[C@@H](c1ccc(O)c(OC)c1)c1oc(CN2CCc3cc(OC)c(OC)cc3C2)cc(=O)c1O	ZINC000263585232	572117684	/nfs/dbraw/zinc/11/76/84/572117684.db2.gz	GNYSYTZSXVDJAL-FQEVSTJZSA-N	0	0	525.554	3.330	50	0		KGAARN
COC(=O)C[C@H](c1ccc(O)c(OC)c1)c1oc(CN2CCc3cc(OC)c(OC)cc3C2)cc(=O)c1O	ZINC000263585233	572117551	/nfs/dbraw/zinc/11/75/51/572117551.db2.gz	GNYSYTZSXVDJAL-HXUWFJFHSA-N	0	0	525.554	3.330	50	0		KGAARN
CNS(=O)(=O)c1cc(-c2nnc(N3C[C@H]4C[C@@H](C3)Cn3c(=O)cccc34)c3ccccc32)ccc1C	ZINC000263585263	572117437	/nfs/dbraw/zinc/11/74/37/572117437.db2.gz	GWANYSOMJWRWMN-AZUAARDMSA-N	0	0	501.612	3.299	50	0		KGAARN
COC(=O)COc1ccc([C@@H](CC(=O)OC)c2oc(CN3CCc4cc(OC)c(OC)cc4C3)cc(=O)c2O)cc1OC	ZINC000263585340	572118045	/nfs/dbraw/zinc/11/80/45/572118045.db2.gz	HPEHUEQDDHBQMM-JOCHJYFZSA-N	0	0	597.617	3.176	50	0		KGAARN
COC(=O)COc1ccc([C@H](CC(=O)OC)c2oc(CN3CCc4cc(OC)c(OC)cc4C3)cc(=O)c2O)cc1OC	ZINC000263585341	572118150	/nfs/dbraw/zinc/11/81/50/572118150.db2.gz	HPEHUEQDDHBQMM-QFIPXVFZSA-N	0	0	597.617	3.176	50	0		KGAARN
COC(=O)[C@H](Cc1ccccc1)NC(=O)CNc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2	ZINC000263585374	572118236	/nfs/dbraw/zinc/11/82/36/572118236.db2.gz	HXFLRJSPDBQFLJ-AHWVRZQESA-N	0	0	603.672	3.175	50	0		KGAARN
COc1cc2c(c(OC)c1OC)-c1ccc(NCCCC(=O)N3CCCN(S(=O)(=O)N4CCCCC4)CC3)c(=O)cc1[C@@H](NC(C)=O)CC2	ZINC000263585556	572119065	/nfs/dbraw/zinc/11/90/65/572119065.db2.gz	JZLDNZFMCAJDOQ-NDEPHWFRSA-N	0	0	699.871	3.320	50	0		KGAARN
CC[C@@H](C)[C@H](Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)NCC(=O)N1CCCC1	ZINC000263585671	572119813	/nfs/dbraw/zinc/11/98/13/572119813.db2.gz	LGIQSMILTNNDGT-WEWKHQNJSA-N	0	0	608.736	3.428	50	0		KGAARN
COC(=O)C[C@@H](c1cc(OC)c2c(c1)OCCO2)c1oc(CN2CCc3cc(OC)c(OC)cc3C2)cc(=O)c1O	ZINC000263585846	572120490	/nfs/dbraw/zinc/12/04/90/572120490.db2.gz	NFHQNFFDXNVVHP-NRFANRHFSA-N	0	0	567.591	3.396	50	0		KGAARN
COC(=O)C[C@H](c1cc(OC)c2c(c1)OCCO2)c1oc(CN2CCc3cc(OC)c(OC)cc3C2)cc(=O)c1O	ZINC000263585847	572120514	/nfs/dbraw/zinc/12/05/14/572120514.db2.gz	NFHQNFFDXNVVHP-OAQYLSRUSA-N	0	0	567.591	3.396	50	0		KGAARN
COc1cc2c(c(OC)c1OC)-c1ccc(NCC(=O)Nc3ccc4[nH]c(=O)c(=O)[nH]c4c3)c(=O)cc1[C@@H](NC(C)=O)CC2	ZINC000263585925	572121146	/nfs/dbraw/zinc/12/11/46/572121146.db2.gz	NXPRFEUAVFERDH-FQEVSTJZSA-N	0	0	601.616	3.268	50	0		KGAARN
COc1cc2c(c(OC)c1OC)-c1ccc(NCC(=O)NCCOc3ccc4c(c3)OCO4)c(=O)cc1[C@@H](NC(C)=O)CC2	ZINC000263585946	572121222	/nfs/dbraw/zinc/12/12/22/572121222.db2.gz	OBZBULJVPPUZEF-QHCPKHFHSA-N	0	0	605.644	3.199	50	0		KGAARN
CC[C@@H](C)[C@H](Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)NCCS(=O)(=O)N1CCSCC1	ZINC000263585953	572121153	/nfs/dbraw/zinc/12/11/53/572121153.db2.gz	OEDRHIPKUUDDGY-MOXKEGGMSA-N	0	0	690.885	3.184	50	0		KGAARN
COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](CCSC)C(=O)N3CCN(S(=O)(=O)C(C)C)CC3)c(=O)cc1[C@@H](NC(C)=O)CC2	ZINC000263585985	572121174	/nfs/dbraw/zinc/12/11/74/572121174.db2.gz	OORMNJTWJGJKMN-BDYUSTAISA-N	0	0	690.885	3.279	50	0		KGAARN
COC(=O)C[C@H](c1ccc(C(=O)OC)cc1)c1oc(CN2CCc3cc(OC)c(OC)cc3C2)cc(=O)c1O	ZINC000263586007	572121715	/nfs/dbraw/zinc/12/17/15/572121715.db2.gz	OWROVUOOUASEPB-JOCHJYFZSA-N	0	0	537.565	3.403	50	0		KGAARN
COC(=O)C[C@@H](c1ccc(C(=O)OC)cc1)c1oc(CN2CCc3cc(OC)c(OC)cc3C2)cc(=O)c1O	ZINC000263586008	572121625	/nfs/dbraw/zinc/12/16/25/572121625.db2.gz	OWROVUOOUASEPB-QFIPXVFZSA-N	0	0	537.565	3.403	50	0		KGAARN
COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](CCSC)C(=O)NCCN3CCCC3=O)c(=O)cc1[C@@H](NC(C)=O)CC2	ZINC000263586065	572121556	/nfs/dbraw/zinc/12/15/56/572121556.db2.gz	PMKXOQVXLVOSJT-ZCYQVOJMSA-N	0	0	626.776	3.135	50	0		KGAARN
COC(=O)C[C@@H](c1cc(OC)c(O)c(OC)c1)c1oc(CN2CCc3cc(OC)c(OC)cc3C2)cc(=O)c1O	ZINC000263586186	572122078	/nfs/dbraw/zinc/12/20/78/572122078.db2.gz	RANPXYFXXKVYGI-FQEVSTJZSA-N	0	0	555.580	3.339	50	0		KGAARN
COC(=O)C[C@H](c1cc(OC)c(O)c(OC)c1)c1oc(CN2CCc3cc(OC)c(OC)cc3C2)cc(=O)c1O	ZINC000263586187	572121993	/nfs/dbraw/zinc/12/19/93/572121993.db2.gz	RANPXYFXXKVYGI-HXUWFJFHSA-N	0	0	555.580	3.339	50	0		KGAARN
COC(=O)COc1cccc([C@@H](CC(=O)OC)c2oc(CN3CCc4cc(OC)c(OC)cc4C3)cc(=O)c2O)c1	ZINC000263586385	572123094	/nfs/dbraw/zinc/12/30/94/572123094.db2.gz	TZCZCEFPRXLBAE-HSZRJFAPSA-N	0	0	567.591	3.168	50	0		KGAARN
COC(=O)COc1cccc([C@H](CC(=O)OC)c2oc(CN3CCc4cc(OC)c(OC)cc4C3)cc(=O)c2O)c1	ZINC000263586386	572123133	/nfs/dbraw/zinc/12/31/33/572123133.db2.gz	TZCZCEFPRXLBAE-QHCPKHFHSA-N	0	0	567.591	3.168	50	0		KGAARN
COc1cc2c(c(OC)c1OC)-c1ccc(N[C@H](C(=O)N3CCCN(S(=O)(=O)N4CCCC4)CC3)C(C)C)c(=O)cc1[C@@H](NC(C)=O)CC2	ZINC000263586495	572123507	/nfs/dbraw/zinc/12/35/07/572123507.db2.gz	VAGTUSHWQMFLHO-UCGGBYDDSA-N	0	0	699.871	3.174	50	0		KGAARN
CC[C@@H](C)[C@H](Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)NCCN1CCCC1=O	ZINC000263586635	572124348	/nfs/dbraw/zinc/12/43/48/572124348.db2.gz	WHNOIRJAVYEUNO-WEWKHQNJSA-N	0	0	608.736	3.428	50	0		KGAARN
COc1cc2c(c(OC)c1OC)-c1ccc(NCC(=O)Nc3ccc4c(c3)NC(=O)CO4)c(=O)cc1[C@@H](NC(C)=O)CC2	ZINC000263586649	572124335	/nfs/dbraw/zinc/12/43/35/572124335.db2.gz	WMLZFUUOBLLYMI-NRFANRHFSA-N	0	0	588.617	3.245	50	0		KGAARN
COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](CCSC)C(=O)NCC(=O)N3CCCC3)c(=O)cc1[C@@H](NC(C)=O)CC2	ZINC000263586663	572124294	/nfs/dbraw/zinc/12/42/94/572124294.db2.gz	WQPFYXMCGVMKSG-ZCYQVOJMSA-N	0	0	626.776	3.135	50	0		KGAARN
CCOc1ccc(C[C@@]2(C[N@H+]3C[C@H]4C[C@H](Cn5c(=O)cccc54)C3)C(=O)[N-]C(=O)N(c3ccc(OC)cc3)C2=O)cc1	ZINC000263586670	572124604	/nfs/dbraw/zinc/12/46/04/572124604.db2.gz	WUCQSDAIZQCWAB-HWZYRGQPSA-N	0	0	570.646	3.187	50	0		KGAARN
CCOc1ccc(C[C@]2(C[N@H+]3C[C@H]4C[C@H](Cn5c(=O)cccc54)C3)C(=O)[N-]C(=O)N(c3ccc(OC)cc3)C2=O)cc1	ZINC000263586671	572124572	/nfs/dbraw/zinc/12/45/72/572124572.db2.gz	WUCQSDAIZQCWAB-YBBGPBPVSA-N	0	0	570.646	3.187	50	0		KGAARN
COc1cc2c(c(OC)c1OC)-c1ccc(NCC(=O)Nc3ccccc3-c3nnn(C)n3)c(=O)cc1[C@@H](NC(C)=O)CC2	ZINC000263586742	572124769	/nfs/dbraw/zinc/12/47/69/572124769.db2.gz	XLIBUYJZYIZQGV-QHCPKHFHSA-N	0	0	599.648	3.104	50	0		KGAARN
COC(=O)C[C@@H](c1cnn(C(C)C)c1)c1oc(CN2CCc3cc(OC)c(OC)cc3C2)cc(=O)c1O	ZINC000263586757	572124624	/nfs/dbraw/zinc/12/46/24/572124624.db2.gz	XQMXLJFYALMPFL-NRFANRHFSA-N	0	0	511.575	3.393	50	0		KGAARN
COC(=O)C[C@H](c1cnn(C(C)C)c1)c1oc(CN2CCc3cc(OC)c(OC)cc3C2)cc(=O)c1O	ZINC000263586758	572124795	/nfs/dbraw/zinc/12/47/95/572124795.db2.gz	XQMXLJFYALMPFL-OAQYLSRUSA-N	0	0	511.575	3.393	50	0		KGAARN
COC(=O)C[C@@H](c1ccc2c(c1)OCO2)c1oc(CN2CCc3cc(OC)c(OC)cc3C2)cc(=O)c1O	ZINC000263586801	572125097	/nfs/dbraw/zinc/12/50/97/572125097.db2.gz	YCLDHDRFUOEJOI-FQEVSTJZSA-N	0	0	523.538	3.345	50	0		KGAARN
COC(=O)C[C@H](c1ccc2c(c1)OCO2)c1oc(CN2CCc3cc(OC)c(OC)cc3C2)cc(=O)c1O	ZINC000263586802	572125058	/nfs/dbraw/zinc/12/50/58/572125058.db2.gz	YCLDHDRFUOEJOI-HXUWFJFHSA-N	0	0	523.538	3.345	50	0		KGAARN
COC(=O)C[C@@H](c1ccc2c(c1)OCCO2)c1oc(CN2CCc3cc(OC)c(OC)cc3C2)cc(=O)c1O	ZINC000263586924	572125981	/nfs/dbraw/zinc/12/59/81/572125981.db2.gz	ZRHSUECVJCDPQJ-NRFANRHFSA-N	0	0	537.565	3.387	50	0		KGAARN
COC(=O)C[C@H](c1ccc2c(c1)OCCO2)c1oc(CN2CCc3cc(OC)c(OC)cc3C2)cc(=O)c1O	ZINC000263586925	572125742	/nfs/dbraw/zinc/12/57/42/572125742.db2.gz	ZRHSUECVJCDPQJ-OAQYLSRUSA-N	0	0	537.565	3.387	50	0		KGAARN
COc1cc([C@H](c2n(Cc3ccccc3)c(C)c(C)[n+]2[O-])C2C(=O)OC(C)(C)OC2=O)cc(OC)c1O	ZINC000263587458	572125949	/nfs/dbraw/zinc/12/59/49/572125949.db2.gz	HAVZPALVVBDQOJ-NRFANRHFSA-N	0	0	510.543	3.094	50	0		KGAARN
COc1cc([C@@H](c2n(Cc3ccccc3)c(C)c(C)[n+]2[O-])C2C(=O)OC(C)(C)OC2=O)cc(OC)c1O	ZINC000263587459	572125877	/nfs/dbraw/zinc/12/58/77/572125877.db2.gz	HAVZPALVVBDQOJ-OAQYLSRUSA-N	0	0	510.543	3.094	50	0		KGAARN
COc1cc([C@@H](c2n(Cc3ccccc3)c(C)c(C)[n+]2[O-])C2C(=O)OC(C)(C)OC2=O)cc(OC)c1OC	ZINC000263588052	572126466	/nfs/dbraw/zinc/12/64/66/572126466.db2.gz	OMSOSGFFXWFROL-JOCHJYFZSA-N	0	0	524.570	3.397	50	0		KGAARN
COc1cc([C@H](c2n(Cc3ccccc3)c(C)c(C)[n+]2[O-])C2C(=O)OC(C)(C)OC2=O)cc(OC)c1OC	ZINC000263588053	572126422	/nfs/dbraw/zinc/12/64/22/572126422.db2.gz	OMSOSGFFXWFROL-QFIPXVFZSA-N	0	0	524.570	3.397	50	0		KGAARN
Cc1c(C)[n+]([O-])c([C@@H](c2ccc(OCCc3ccc4c(c3)CCO4)cc2)C2C(=O)OC(C)(C)OC2=O)n1C	ZINC000263588277	572126645	/nfs/dbraw/zinc/12/66/45/572126645.db2.gz	RCMYPCHTARVAAJ-DEOSSOPVSA-N	0	0	520.582	3.416	50	0		KGAARN
Cc1c(C)[n+]([O-])c([C@H](c2ccc(OCCc3ccc4c(c3)CCO4)cc2)C2C(=O)OC(C)(C)OC2=O)n1C	ZINC000263588278	572126297	/nfs/dbraw/zinc/12/62/97/572126297.db2.gz	RCMYPCHTARVAAJ-XMMPIXPASA-N	0	0	520.582	3.416	50	0		KGAARN
CC(=O)Nc1ccc(S(=O)(=O)NC2CCN(Cc3nnn4c3CO[C@@H](c3ccccc3)C4)CC2)cc1Cl	ZINC000263616279	572130821	/nfs/dbraw/zinc/13/08/21/572130821.db2.gz	HWJTZQFQJYVOSR-RUZDIDTESA-N	0	0	545.065	3.104	50	0		KGAARN
CC(=O)Nc1ccc(S(=O)(=O)NC2CCN(Cc3nnn4c3CO[C@H](c3ccccc3)C4)CC2)cc1Cl	ZINC000263616280	572130955	/nfs/dbraw/zinc/13/09/55/572130955.db2.gz	HWJTZQFQJYVOSR-VWLOTQADSA-N	0	0	545.065	3.104	50	0		KGAARN
COc1ccc(-c2nn3ccn(CC(=O)Nc4ccc(Br)cc4F)c(=O)c3c2CO)cc1	ZINC000263617800	572131674	/nfs/dbraw/zinc/13/16/74/572131674.db2.gz	PRMBQPSXBXNRDI-UHFFFAOYSA-N	0	0	501.312	3.204	50	0		KGAARN
CC(=O)Nc1ccc(S(=O)(=O)NC2CCN(Cc3nnn4c3CO[C@@H](c3cccc(F)c3)C4)CC2)cc1Cl	ZINC000263617907	1059533112	/nfs/dbraw/zinc/53/31/12/1059533112.db2.gz	QISXWETVVXOSHW-RUZDIDTESA-N	0	0	563.055	3.243	50	0		KGAARN
CC(=O)Nc1ccc(S(=O)(=O)NC2CCN(Cc3nnn4c3CO[C@H](c3cccc(F)c3)C4)CC2)cc1Cl	ZINC000263617908	1059533764	/nfs/dbraw/zinc/53/37/64/1059533764.db2.gz	QISXWETVVXOSHW-VWLOTQADSA-N	0	0	563.055	3.243	50	0		KGAARN
COc1ccc([C@H]2Cn3nnc(CN4CCC(NC(=O)Cc5c[nH]c6ccccc56)CC4)c3CO2)cc1	ZINC000263619383	572132074	/nfs/dbraw/zinc/13/20/74/572132074.db2.gz	YMNKIAKZCQDNFO-HHHXNRCGSA-N	0	0	500.603	3.363	50	0		KGAARN
COc1ccc([C@@H]2Cn3nnc(CN4CCC(NC(=O)Cc5c[nH]c6ccccc56)CC4)c3CO2)cc1	ZINC000263619384	572132107	/nfs/dbraw/zinc/13/21/07/572132107.db2.gz	YMNKIAKZCQDNFO-MHZLTWQESA-N	0	0	500.603	3.363	50	0		KGAARN
O=C(N=c1c2c3c(sc2nc2n1CCCCC2)CCCC3)c1ccc(S(=O)(=O)N2CCOCC2)cc1	ZINC000263622076	1059541317	/nfs/dbraw/zinc/54/13/17/1059541317.db2.gz	KZBQDQKEEIGHTC-UHFFFAOYSA-N	0	0	526.684	3.465	50	0		KGAARN
O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NN=Cc1c[nH]c2ccc(Br)cc12	ZINC000263630852	1059541815	/nfs/dbraw/zinc/54/18/15/1059541815.db2.gz	MUTNXLUKZCVVFE-UHFFFAOYSA-N	0	0	519.421	3.034	50	0		KGAARN
O=c1c2cc(N3CCN(S(=O)(=O)C(F)(F)F)CC3)ccc2ncn1Cc1ncc(C(F)(F)F)cc1Cl	ZINC000263639779	572133056	/nfs/dbraw/zinc/13/30/56/572133056.db2.gz	IKLNGBHJHARPBF-UHFFFAOYSA-N	0	0	555.888	3.484	50	0		KGAARN
Nc1ccc(N2CCN(S(=O)(=O)C(F)(F)F)CC2)cc1C(=O)NCc1ncc(C(F)(F)F)cc1Cl	ZINC000263639829	572132997	/nfs/dbraw/zinc/13/29/97/572132997.db2.gz	KVBXVAYVCZSHJU-UHFFFAOYSA-N	0	0	545.893	3.238	50	0		KGAARN
O=S(=O)(c1cnn(-c2ncc(C(F)(F)F)cc2Cl)c1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1	ZINC000263639864	572133052	/nfs/dbraw/zinc/13/30/52/572133052.db2.gz	MMOYRGJQIZILIO-UHFFFAOYSA-N	0	0	570.402	3.288	50	0		KGAARN
COc1ccccc1CCN1C(=O)c2cccc(N3CCC(C(=O)N(C)Cc4ccon4)CC3)c2C1=O	ZINC000299762115	572134905	/nfs/dbraw/zinc/13/49/05/572134905.db2.gz	VXNXQNBJDNZIKF-UHFFFAOYSA-N	0	0	502.571	3.397	50	0		KGAARN
O=CN1CCN(C(=O)[C@H]2CCCN(c3cccc4c3C(=O)N(Cc3cc5ccccc5s3)C4=O)C2)CC1	ZINC000299763633	572135057	/nfs/dbraw/zinc/13/50/57/572135057.db2.gz	PTWVXKBSZQUCCB-FQEVSTJZSA-N	0	0	516.623	3.215	50	0		KGAARN
O=CN1CCN(C(=O)[C@@H]2CCCN(c3cccc4c3C(=O)N(Cc3cc5ccccc5s3)C4=O)C2)CC1	ZINC000299763634	572134852	/nfs/dbraw/zinc/13/48/52/572134852.db2.gz	PTWVXKBSZQUCCB-HXUWFJFHSA-N	0	0	516.623	3.215	50	0		KGAARN
CCOC(=O)N1CCN(C(=O)[C@H]2CCCN(c3cccc4c3C(=O)N(c3ccc5c(c3)COC5)C4=O)C2)CC1	ZINC000299764480	572134750	/nfs/dbraw/zinc/13/47/50/572134750.db2.gz	HJLXWMPLXUNZEI-IBGZPJMESA-N	0	0	532.597	3.035	50	0		KGAARN
CCOC(=O)N1CCN(C(=O)[C@@H]2CCCN(c3cccc4c3C(=O)N(c3ccc5c(c3)COC5)C4=O)C2)CC1	ZINC000299764481	572134677	/nfs/dbraw/zinc/13/46/77/572134677.db2.gz	HJLXWMPLXUNZEI-LJQANCHMSA-N	0	0	532.597	3.035	50	0		KGAARN
CN(Cc1cnn(C)c1)C(=O)C1CCN(c2cccc3c2C(=O)N(CCc2cccc(F)c2)C3=O)CC1	ZINC000299765970	572135499	/nfs/dbraw/zinc/13/54/99/572135499.db2.gz	AAUUDSJGRYGKHV-UHFFFAOYSA-N	0	0	503.578	3.273	50	0		KGAARN
Cc1cc(C)n(CCN2C(=O)c3cccc(N4CCC[C@H](C(=O)N(CCO)Cc5ccccc5)C4)c3C2=O)n1	ZINC000299766110	572135679	/nfs/dbraw/zinc/13/56/79/572135679.db2.gz	AIEBYIDHVHDMGI-DEOSSOPVSA-N	0	0	529.641	3.034	50	0		KGAARN
Cc1cc(C)n(CCN2C(=O)c3cccc(N4CCC[C@@H](C(=O)N(CCO)Cc5ccccc5)C4)c3C2=O)n1	ZINC000299766111	572135561	/nfs/dbraw/zinc/13/55/61/572135561.db2.gz	AIEBYIDHVHDMGI-XMMPIXPASA-N	0	0	529.641	3.034	50	0		KGAARN
O=C(N[C@H]1CCS(=O)(=O)C1)[C@@H]1CCCN(c2cccc3c2C(=O)N(Cc2cc4ccccc4s2)C3=O)C1	ZINC000299766116	572135431	/nfs/dbraw/zinc/13/54/31/572135431.db2.gz	AMUULVBFPNRUEZ-MOPGFXCFSA-N	0	0	537.663	3.217	50	0		KGAARN
O=C(N[C@H]1CCS(=O)(=O)C1)[C@H]1CCCN(c2cccc3c2C(=O)N(Cc2cc4ccccc4s2)C3=O)C1	ZINC000299766117	572135456	/nfs/dbraw/zinc/13/54/56/572135456.db2.gz	AMUULVBFPNRUEZ-OALUTQOASA-N	0	0	537.663	3.217	50	0		KGAARN
O=C(N[C@@H]1CCS(=O)(=O)C1)[C@H]1CCCN(c2cccc3c2C(=O)N(Cc2cc4ccccc4s2)C3=O)C1	ZINC000299766118	572135554	/nfs/dbraw/zinc/13/55/54/572135554.db2.gz	AMUULVBFPNRUEZ-RBUKOAKNSA-N	0	0	537.663	3.217	50	0		KGAARN
O=C(N[C@@H]1CCS(=O)(=O)C1)[C@@H]1CCCN(c2cccc3c2C(=O)N(Cc2cc4ccccc4s2)C3=O)C1	ZINC000299766119	572135570	/nfs/dbraw/zinc/13/55/70/572135570.db2.gz	AMUULVBFPNRUEZ-RTBURBONSA-N	0	0	537.663	3.217	50	0		KGAARN
Cc1ccc(N2CCN(C(=O)[C@@H]3CCCN(c4cccc5c4C(=O)N(C[C@H]4CCCO4)C5=O)C3)CC2)cc1	ZINC000299775069	572136220	/nfs/dbraw/zinc/13/62/20/572136220.db2.gz	JRZVUNMLYRRFNJ-ISKFKSNPSA-N	0	0	516.642	3.335	50	0		KGAARN
Cc1ccc(N2CCN(C(=O)[C@H]3CCCN(c4cccc5c4C(=O)N(C[C@H]4CCCO4)C5=O)C3)CC2)cc1	ZINC000299775073	572136479	/nfs/dbraw/zinc/13/64/79/572136479.db2.gz	JRZVUNMLYRRFNJ-LADGPHEKSA-N	0	0	516.642	3.335	50	0		KGAARN
Cc1ccc(N2CCN(C(=O)[C@H]3CCCN(c4cccc5c4C(=O)N(C[C@@H]4CCCO4)C5=O)C3)CC2)cc1	ZINC000299775077	572136234	/nfs/dbraw/zinc/13/62/34/572136234.db2.gz	JRZVUNMLYRRFNJ-UPVQGACJSA-N	0	0	516.642	3.335	50	0		KGAARN
Cc1ccc(N2CCN(C(=O)[C@@H]3CCCN(c4cccc5c4C(=O)N(C[C@@H]4CCCO4)C5=O)C3)CC2)cc1	ZINC000299775082	572136085	/nfs/dbraw/zinc/13/60/85/572136085.db2.gz	JRZVUNMLYRRFNJ-VWNXMTODSA-N	0	0	516.642	3.335	50	0		KGAARN
Cc1nonc1CN1C(=O)c2cccc(N3CCC(C(=O)NCCc4cccc(Cl)c4)CC3)c2C1=O	ZINC000299775454	572136566	/nfs/dbraw/zinc/13/65/66/572136566.db2.gz	JYTCJNUMNYIWIN-UHFFFAOYSA-N	0	0	507.978	3.403	50	0		KGAARN
COC(=O)c1cn([C@@H]2C[C@@H](C(=O)NCCc3c[nH]c4ccccc34)N(C/C=C/c3ccccc3OC)C2)nn1	ZINC000299786000	572136910	/nfs/dbraw/zinc/13/69/10/572136910.db2.gz	OXKCYVPOQCMTHB-KINIRFNXSA-N	0	0	528.613	3.242	50	0		KGAARN
COc1cccc(CCN2C(=O)c3cccc(N4CCN(C(=O)c5cccc(N6CCNC6=O)c5)CC4)c3C2=O)c1	ZINC000299790184	572136938	/nfs/dbraw/zinc/13/69/38/572136938.db2.gz	AXNQSXASIAJGKW-UHFFFAOYSA-N	0	0	553.619	3.026	50	0		KGAARN
COC(=O)c1cn([C@@H]2C[C@@H](C(=O)NCCc3c[nH]c4ccccc34)N(C/C=C/c3ccc(OC)cc3)C2)nn1	ZINC000299793657	572137142	/nfs/dbraw/zinc/13/71/42/572137142.db2.gz	HKMUDPDPXPJGGZ-JFOKULQLSA-N	0	0	528.613	3.242	50	0		KGAARN
COCCN(Cc1cc2ccc(OC)cc2nc1N1CCN(C(C)=O)CC1)C(=O)c1cccc(OC)c1	ZINC000299793865	1059119541	/nfs/dbraw/zinc/11/95/41/1059119541.db2.gz	IRSZFQRIZHJHKJ-UHFFFAOYSA-N	0	0	506.603	3.209	50	0		KGAARN
O=C(NCc1ccccc1C(F)(F)F)[C@@H]1CCCN(c2cccc3c2C(=O)N([C@H]2CCS(=O)(=O)C2)C3=O)C1	ZINC000299795924	572137524	/nfs/dbraw/zinc/13/75/24/572137524.db2.gz	NMNPZGOOTWHYEE-MSOLQXFVSA-N	0	0	549.571	3.021	50	0		KGAARN
O=C(NCc1ccccc1C(F)(F)F)[C@@H]1CCCN(c2cccc3c2C(=O)N([C@@H]2CCS(=O)(=O)C2)C3=O)C1	ZINC000299795946	572137008	/nfs/dbraw/zinc/13/70/08/572137008.db2.gz	NMNPZGOOTWHYEE-QZTJIDSGSA-N	0	0	549.571	3.021	50	0		KGAARN
O=C(NCc1ccccc1C(F)(F)F)[C@H]1CCCN(c2cccc3c2C(=O)N([C@H]2CCS(=O)(=O)C2)C3=O)C1	ZINC000299795973	572137477	/nfs/dbraw/zinc/13/74/77/572137477.db2.gz	NMNPZGOOTWHYEE-ROUUACIJSA-N	0	0	549.571	3.021	50	0		KGAARN
O=C(NCc1ccccc1C(F)(F)F)[C@H]1CCCN(c2cccc3c2C(=O)N([C@@H]2CCS(=O)(=O)C2)C3=O)C1	ZINC000299795994	572137327	/nfs/dbraw/zinc/13/73/27/572137327.db2.gz	NMNPZGOOTWHYEE-ZWKOTPCHSA-N	0	0	549.571	3.021	50	0		KGAARN
COc1ccc(OC)c2nc(N3CCN(C(C)=O)CC3)c(CN(C[C@@H]3CCCO3)C(=O)c3cncs3)cc12	ZINC000299801639	1059534675	/nfs/dbraw/zinc/53/46/75/1059534675.db2.gz	XQMJTNIODPJODP-FQEVSTJZSA-N	0	0	539.658	3.198	50	0		KGAARN
COc1ccc(OC)c2nc(N3CCN(C(C)=O)CC3)c(CN(C[C@H]3CCCO3)C(=O)c3cncs3)cc12	ZINC000299801642	1059120615	/nfs/dbraw/zinc/12/06/15/1059120615.db2.gz	XQMJTNIODPJODP-HXUWFJFHSA-N	0	0	539.658	3.198	50	0		KGAARN
COc1cc(C(=O)NCCn2c(N)c(S(=O)(=O)c3ccccc3)c3nc4ccccc4nc32)cc(OC)c1OC	ZINC000334158305	572152963	/nfs/dbraw/zinc/15/29/63/572152963.db2.gz	FQNUZESXPSECRO-UHFFFAOYSA-N	0	0	561.620	3.237	50	0		KGAARN
COc1cc(C(=O)Nn2c(N)c(S(=O)(=O)c3ccccc3)c3nc4ccccc4nc32)cc(OC)c1OC	ZINC000334159489	572153741	/nfs/dbraw/zinc/15/37/41/572153741.db2.gz	FFKRRQQTNLWRKZ-UHFFFAOYSA-N	0	0	533.566	3.191	50	0		KGAARN
NS(=O)(=O)c1ccc(CNC(=O)CSc2nnc3c4ccccc4n(CCc4ccccc4)c3n2)cc1	ZINC000334160744	572153944	/nfs/dbraw/zinc/15/39/44/572153944.db2.gz	LLZVCCUUAUAVCA-UHFFFAOYSA-N	0	0	532.651	3.278	50	0		KGAARN
COc1ccc(OC)c(S(=O)(=O)N(Cc2ccc(S(=O)(=O)c3ccc(Br)cc3)o2)[C@H]2CCS(=O)(=O)C2)c1	ZINC000334162102	572154462	/nfs/dbraw/zinc/15/44/62/572154462.db2.gz	JJEJWADOYQPMOT-KRWDZBQOSA-N	0	0	634.548	3.270	50	0		KGAARN
COc1ccc(OC)c(S(=O)(=O)N(Cc2ccc(S(=O)(=O)c3ccc(Br)cc3)o2)[C@@H]2CCS(=O)(=O)C2)c1	ZINC000334162103	572154346	/nfs/dbraw/zinc/15/43/46/572154346.db2.gz	JJEJWADOYQPMOT-QGZVFWFLSA-N	0	0	634.548	3.270	50	0		KGAARN
COC(=O)Cn1c(=O)c(NC(=O)c2cccc(F)c2)cc2c(Nc3ccc(Br)cc3)ncnc21	ZINC000390834808	572155847	/nfs/dbraw/zinc/15/58/47/572155847.db2.gz	BMOWCYNAFXJFRW-UHFFFAOYSA-N	0	0	526.322	3.284	50	0		KGAARN
CCC(CC)C(=O)Nc1cc2c([nH]cnc2=Nc2ccc(Br)cc2)n(CC(=O)OC)c1=O	ZINC000390834871	572155923	/nfs/dbraw/zinc/15/59/23/572155923.db2.gz	KDYUXBFSVVWFKD-UHFFFAOYSA-N	0	0	502.369	3.267	50	0		KGAARN
COC(=O)Cn1c(=O)c(NC(=O)c2ccc(OC)cc2)cc2c(Nc3ccc(Br)cc3)ncnc21	ZINC000390834892	572156417	/nfs/dbraw/zinc/15/64/17/572156417.db2.gz	NDTLJABLLRVDFD-UHFFFAOYSA-N	0	0	538.358	3.153	50	0		KGAARN
CC(C)c1ccc([C@H](CC(N)=O)c2oc(CN3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)cc(=O)c2O)cc1	ZINC000409413414	1059008935	/nfs/dbraw/zinc/00/89/35/1059008935.db2.gz	CZYHXHUZBNGHAC-JZWVFAODSA-N	0	0	503.599	3.257	50	0		KGAARN
CC(C)c1ccc([C@@H](CC(N)=O)c2oc(CN3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)cc(=O)c2O)cc1	ZINC000409413416	1059008877	/nfs/dbraw/zinc/00/88/77/1059008877.db2.gz	CZYHXHUZBNGHAC-RZFNWQHOSA-N	0	0	503.599	3.257	50	0		KGAARN
COC(=O)C[C@@H](c1ccc2c(c1)n(C)c(=O)n2C)c1c(O)cc(C)n(CCc2c[nH]c3ccccc23)c1=O	ZINC000409413820	1059017895	/nfs/dbraw/zinc/01/78/95/1059017895.db2.gz	KJFFGLYIVADYJB-NRFANRHFSA-N	0	0	514.582	3.472	50	0		KGAARN
COC(=O)C[C@H](c1ccc2c(c1)n(C)c(=O)n2C)c1c(O)cc(C)n(CCc2c[nH]c3ccccc23)c1=O	ZINC000409413826	1059008704	/nfs/dbraw/zinc/00/87/04/1059008704.db2.gz	KJFFGLYIVADYJB-OAQYLSRUSA-N	0	0	514.582	3.472	50	0		KGAARN
COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](C(=O)Nc3ccc4[nH]c(=O)c(=O)[nH]c4c3)C(C)C)c(=O)cc1[C@@H](NC(C)=O)CC2	ZINC000409414789	1059017920	/nfs/dbraw/zinc/01/79/20/1059017920.db2.gz	OGDCRKUWCPHUKT-PZGXJGMVSA-N	0	0	643.697	3.468	50	0		KGAARN
COc1cc2c(c(OC)c1OC)-c1ccc(N[C@H](CCSC)C(=O)Nc3cc(C)[nH]n3)c(=O)cc1[C@@H](NC(C)=O)CC2	ZINC000409415039	1059561408	/nfs/dbraw/zinc/56/14/08/1059561408.db2.gz	RTEGRSULBIMTBW-JTHBVZDNSA-N	0	0	595.722	4.067	50	0		KGAARN
COC(=O)C[C@@H](c1cc2c(c(OC)c1)OCO2)c1oc(CN2CCc3cc(OC)c(OC)cc3C2)cc(=O)c1O	ZINC000409415652	1059075823	/nfs/dbraw/zinc/07/58/23/1059075823.db2.gz	VRMSVBOSAZCXEZ-FQEVSTJZSA-N	0	0	553.564	3.353	50	0		KGAARN
COC(=O)C[C@H](c1cc2c(c(OC)c1)OCO2)c1oc(CN2CCc3cc(OC)c(OC)cc3C2)cc(=O)c1O	ZINC000409415653	1059075794	/nfs/dbraw/zinc/07/57/94/1059075794.db2.gz	VRMSVBOSAZCXEZ-HXUWFJFHSA-N	0	0	553.564	3.353	50	0		KGAARN
CC1(C)O[C@@H]2[C@@H](CO)O[C@@H](n3cnc4c3nc(Cl)nc4NCc3cccc(I)c3)[C@@H]2O1	ZINC000514251407	1059540403	/nfs/dbraw/zinc/54/04/03/1059540403.db2.gz	WCKHUABYZBGHID-SCFUHWHPSA-N	0	0	557.776	3.106	50	0		KGAARN
COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CN1CC[C@]2(O)CCCC[C@H]2[C@@H]1c1ccc2c(c1)OCO2	ZINC000524728997	1059011012	/nfs/dbraw/zinc/01/10/12/1059011012.db2.gz	HIHNMCOMSIMZIS-DDPIJVRDSA-N	0	0	533.625	3.465	50	0		KGAARN
COc1ccc(C(=O)Oc2ccc([C@H](CC(N)=O)c3oc(CN4C[C@H]5C[C@@H](C4)c4cccc(=O)n4C5)cc(=O)c3O)cc2)cc1	ZINC000524729561	1059012081	/nfs/dbraw/zinc/01/20/81/1059012081.db2.gz	YLDLXXXKOZOUOJ-CGHRXAFASA-N	0	0	611.651	3.362	50	0		KGAARN
COc1ccc(C(=O)Oc2ccc([C@@H](CC(N)=O)c3oc(CN4C[C@H]5C[C@@H](C4)c4cccc(=O)n4C5)cc(=O)c3O)cc2)cc1	ZINC000524729562	1059012340	/nfs/dbraw/zinc/01/23/40/1059012340.db2.gz	YLDLXXXKOZOUOJ-PCGJDWNTSA-N	0	0	611.651	3.362	50	0		KGAARN
COCc1n[nH]c([C@H](NC(=O)C[C@H](c2ccc(O)c(OC)c2)c2oc(C)cc(=O)c2O)c2ccccc2)n1	ZINC000524730203	1059013583	/nfs/dbraw/zinc/01/35/83/1059013583.db2.gz	ZRFAIUYUEIEESS-HOYKHHGWSA-N	0	0	520.542	3.060	50	0		KGAARN
COCc1n[nH]c([C@@H](NC(=O)C[C@H](c2ccc(O)c(OC)c2)c2oc(C)cc(=O)c2O)c2ccccc2)n1	ZINC000524730204	1059013324	/nfs/dbraw/zinc/01/33/24/1059013324.db2.gz	ZRFAIUYUEIEESS-KOSHJBKYSA-N	0	0	520.542	3.060	50	0		KGAARN
COCc1n[nH]c([C@H](NC(=O)C[C@@H](c2ccc(O)c(OC)c2)c2oc(C)cc(=O)c2O)c2ccccc2)n1	ZINC000524730205	1059014113	/nfs/dbraw/zinc/01/41/13/1059014113.db2.gz	ZRFAIUYUEIEESS-MHECFPHRSA-N	0	0	520.542	3.060	50	0		KGAARN
COCc1n[nH]c([C@@H](NC(=O)C[C@@H](c2ccc(O)c(OC)c2)c2oc(C)cc(=O)c2O)c2ccccc2)n1	ZINC000524730206	1059014040	/nfs/dbraw/zinc/01/40/40/1059014040.db2.gz	ZRFAIUYUEIEESS-UUOWRZLLSA-N	0	0	520.542	3.060	50	0		KGAARN
COc1ccc(OCC(=O)Nc2cccc(C(=O)NCc3c4c(c(OC)c5c3CC[N@H+](C)C5)OCO4)c2)cc1	ZINC000524730436	1059012861	/nfs/dbraw/zinc/01/28/61/1059012861.db2.gz	JBMVFLYWEAVUEY-UHFFFAOYSA-N	0	0	533.581	3.368	50	0		KGAARN
COc1ccc([C@@H](CC(N)=O)c2oc(CN3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)cc(=O)c2O)c2ccccc12	ZINC000524730550	1059013629	/nfs/dbraw/zinc/01/36/29/1059013629.db2.gz	NASIFCHSQJVKBT-YDIMBITNSA-N	0	0	541.604	3.296	50	0		KGAARN
COc1cc([C@H](CC(=O)NCCc2nnc(-c3ccccc3O)o2)c2oc(C)cc(=O)c2O)ccc1O	ZINC000524730562	1059013284	/nfs/dbraw/zinc/01/32/84/1059013284.db2.gz	NKMNOOQDFIOIDK-KRWDZBQOSA-N	0	0	507.499	3.005	50	0		KGAARN
COc1cc([C@@H](CC(=O)NCCc2nnc(-c3ccccc3O)o2)c2oc(C)cc(=O)c2O)ccc1O	ZINC000524730563	1059013524	/nfs/dbraw/zinc/01/35/24/1059013524.db2.gz	NKMNOOQDFIOIDK-QGZVFWFLSA-N	0	0	507.499	3.005	50	0		KGAARN
COc1ccc(-c2noc(CNC(=O)C[C@@H](c3ccc(O)c(OC)c3)c3oc(C)cc(=O)c3O)n2)cc1OC	ZINC000524730686	1059013261	/nfs/dbraw/zinc/01/32/61/1059013261.db2.gz	SRZNGJPPOVIRST-KRWDZBQOSA-N	0	0	537.525	3.274	50	0		KGAARN
COc1ccc(-c2noc(CNC(=O)C[C@H](c3ccc(O)c(OC)c3)c3oc(C)cc(=O)c3O)n2)cc1OC	ZINC000524730687	1059013561	/nfs/dbraw/zinc/01/35/61/1059013561.db2.gz	SRZNGJPPOVIRST-QGZVFWFLSA-N	0	0	537.525	3.274	50	0		KGAARN
COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CCCC(=O)N3C[C@H]4C[C@@H](C3)[C@@H]3CCCC(=O)N3C4)[C@@H]21	ZINC000524731048	1059013980	/nfs/dbraw/zinc/01/39/80/1059013980.db2.gz	INGHYZKZWLBSHT-POGOCVFTSA-N	0	0	572.662	3.458	50	0		KGAARN
COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CCCC(=O)N3C[C@H]4C[C@@H](C3)[C@H]3CCCC(=O)N3C4)[C@H]21	ZINC000524731049	1059013957	/nfs/dbraw/zinc/01/39/57/1059013957.db2.gz	INGHYZKZWLBSHT-QMYCNIPISA-N	0	0	572.662	3.458	50	0		KGAARN
COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CCCC(=O)N3C[C@H]4C[C@@H](C3)[C@@H]3CCCC(=O)N3C4)[C@H]21	ZINC000524731050	1059014077	/nfs/dbraw/zinc/01/40/77/1059014077.db2.gz	INGHYZKZWLBSHT-SUEGEBTOSA-N	0	0	572.662	3.458	50	0		KGAARN
COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CCCC(=O)N3C[C@H]4C[C@@H](C3)[C@H]3CCCC(=O)N3C4)[C@@H]21	ZINC000524731051	1059014001	/nfs/dbraw/zinc/01/40/01/1059014001.db2.gz	INGHYZKZWLBSHT-ZGJABYEYSA-N	0	0	572.662	3.458	50	0		KGAARN
NC(=O)C[C@H](c1cccc(OCc2ccccn2)c1)c1oc(CN2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc(=O)c1O	ZINC000524731110	1059014150	/nfs/dbraw/zinc/01/41/50/1059014150.db2.gz	KLDQPLAVLABVGM-LIXHSBQKSA-N	0	0	568.630	3.108	50	0		KGAARN
NC(=O)C[C@@H](c1cccc(OCc2ccccn2)c1)c1oc(CN2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc(=O)c1O	ZINC000524731111	1059014532	/nfs/dbraw/zinc/01/45/32/1059014532.db2.gz	KLDQPLAVLABVGM-QTISVLPJSA-N	0	0	568.630	3.108	50	0		KGAARN
COC(=O)C[C@@H](c1cc(OC)c2c(c1)OCCO2)c1oc(CN2CCc3ccccc3C2)cc(=O)c1O	ZINC000524731491	1059014389	/nfs/dbraw/zinc/01/43/89/1059014389.db2.gz	ZTBKENIMFRDWPC-NRFANRHFSA-N	0	0	507.539	3.379	50	0		KGAARN
COC(=O)C[C@H](c1cc(OC)c2c(c1)OCCO2)c1oc(CN2CCc3ccccc3C2)cc(=O)c1O	ZINC000524731492	1059014625	/nfs/dbraw/zinc/01/46/25/1059014625.db2.gz	ZTBKENIMFRDWPC-OAQYLSRUSA-N	0	0	507.539	3.379	50	0		KGAARN
COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](CCSC)C(=O)NCCn3ccnc3)c(=O)cc1[C@@H](NC(C)=O)CC2	ZINC000524731759	1059014890	/nfs/dbraw/zinc/01/48/90/1059014890.db2.gz	JRISIQWDKCMSFL-ZCYQVOJMSA-N	0	0	609.749	3.410	50	0		KGAARN
COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CCC(=O)N3C[C@H]4C[C@@H](C3)[C@@H]3CCCC(=O)N3C4)[C@H]21	ZINC000524731789	1059014995	/nfs/dbraw/zinc/01/49/95/1059014995.db2.gz	KOSPGGWCHZPOFX-HGILMJBDSA-N	0	0	558.635	3.068	50	0		KGAARN
COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CCC(=O)N3C[C@H]4C[C@@H](C3)[C@H]3CCCC(=O)N3C4)[C@@H]21	ZINC000524731790	1059014975	/nfs/dbraw/zinc/01/49/75/1059014975.db2.gz	KOSPGGWCHZPOFX-YZZPLXHKSA-N	0	0	558.635	3.068	50	0		KGAARN
COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CCC(=O)N3C[C@H]4C[C@@H](C3)[C@@H]3CCCC(=O)N3C4)[C@@H]21	ZINC000524731791	1059014956	/nfs/dbraw/zinc/01/49/56/1059014956.db2.gz	KOSPGGWCHZPOFX-ZOYACCNLSA-N	0	0	558.635	3.068	50	0		KGAARN
COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CCC(=O)N3C[C@H]4C[C@@H](C3)[C@H]3CCCC(=O)N3C4)[C@H]21	ZINC000524731792	1059015411	/nfs/dbraw/zinc/01/54/11/1059015411.db2.gz	KOSPGGWCHZPOFX-ZSSMQTAASA-N	0	0	558.635	3.068	50	0		KGAARN
COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](CCSC)C(=O)NCCn3cccn3)c(=O)cc1[C@@H](NC(C)=O)CC2	ZINC000524731930	1059015286	/nfs/dbraw/zinc/01/52/86/1059015286.db2.gz	PMTVFZOSQCXGNK-ZCYQVOJMSA-N	0	0	609.749	3.410	50	0		KGAARN
COc1cc([C@@H]2c3cn(CC(C)C)c4cccc(c34)NC3=C2C(=O)N(C(C)=O)C3)ccc1OCC(N)=O	ZINC000524731985	1059015356	/nfs/dbraw/zinc/01/53/56/1059015356.db2.gz	RWGDDKPIVVYFRN-RUZDIDTESA-N	0	0	502.571	3.370	50	0		KGAARN
COc1cc([C@H]2c3cn(CC(C)C)c4cccc(c34)NC3=C2C(=O)N(C(C)=O)C3)ccc1OCC(N)=O	ZINC000524731986	1059015478	/nfs/dbraw/zinc/01/54/78/1059015478.db2.gz	RWGDDKPIVVYFRN-VWLOTQADSA-N	0	0	502.571	3.370	50	0		KGAARN
COc1cc([C@H](CC(=O)NCCCCCc2nnc3ccccn32)c2oc(C)cc(=O)c2O)ccc1O	ZINC000524732000	1059015457	/nfs/dbraw/zinc/01/54/57/1059015457.db2.gz	SJJSHGQUIGTHKY-IBGZPJMESA-N	0	0	506.559	3.462	50	0		KGAARN
COc1cc([C@@H](CC(=O)NCCCCCc2nnc3ccccn32)c2oc(C)cc(=O)c2O)ccc1O	ZINC000524732001	1059015783	/nfs/dbraw/zinc/01/57/83/1059015783.db2.gz	SJJSHGQUIGTHKY-LJQANCHMSA-N	0	0	506.559	3.462	50	0		KGAARN
C[C@@]12C[C@@H](c3ccccc3O1)[C@@H](C(N)=O)C(=O)N2CCSCc1nc2sc3c(c2c(=O)[nH]1)CCC3	ZINC000524732777	1059016022	/nfs/dbraw/zinc/01/60/22/1059016022.db2.gz	NBZZSPHYQMFMLW-BIUIGEDTSA-N	0	0	510.641	3.345	50	0		KGAARN
C[C@@]12C[C@@H](c3ccccc3O1)[C@H](C(N)=O)C(=O)N2CCSCc1nc2sc3c(c2c(=O)[nH]1)CCC3	ZINC000524732778	1059015847	/nfs/dbraw/zinc/01/58/47/1059015847.db2.gz	NBZZSPHYQMFMLW-OKDKDVNESA-N	0	0	510.641	3.345	50	0		KGAARN
Cn1c(=O)c2c(n(C)c1=O)N=C(c1ccc(OCCCCCOc3ccc(C4=Nc5c(c(=O)n(C)c(=O)n5C)CC4)cc3)cc1)CC2	ZINC000524732986	1059015705	/nfs/dbraw/zinc/01/57/05/1059015705.db2.gz	IPMJQMQXILFVSG-UHFFFAOYSA-N	0	0	638.725	3.244	50	0		KGAARN
Cc1nn(-c2ncnc3[nH]cnc32)c2c1[C@]1(CC(=O)N2)C(=O)N(Cc2cc(F)cc3c2OCOC3)c2ccccc21	ZINC000524734093	1059016370	/nfs/dbraw/zinc/01/63/70/1059016370.db2.gz	WCMASWWZGHJOIU-MUUNZHRXSA-N	0	0	552.526	3.028	50	0		KGAARN
Cc1nn(-c2ncnc3[nH]cnc32)c2c1[C@@]1(CC(=O)N2)C(=O)N(Cc2cc(F)cc3c2OCOC3)c2ccccc21	ZINC000524734094	1059016325	/nfs/dbraw/zinc/01/63/25/1059016325.db2.gz	WCMASWWZGHJOIU-NDEPHWFRSA-N	0	0	552.526	3.028	50	0		KGAARN
CC(C)(O)COc1ccc(C(N)=O)c(O[C@H]2CCN(C(=O)Cc3ccc(OC(F)(F)F)cc3)C[C@H]2F)c1	ZINC000526061579	1059016962	/nfs/dbraw/zinc/01/69/62/1059016962.db2.gz	AUTGNDRENPBZKA-UXHICEINSA-N	0	0	528.499	3.394	50	0		KGAARN
Cn1cnc(-c2cnc(O[C@H]3CCN(C(=O)Cc4ccc(OC(F)(F)F)cc4)C[C@H]3F)c(C(N)=O)c2)c1	ZINC000526061589	1059016926	/nfs/dbraw/zinc/01/69/26/1059016926.db2.gz	XJIIVPVOGYFVME-QUCCMNQESA-N	0	0	521.471	3.040	50	0		KGAARN
CCOc1ccc(-c2cc3n(n2)CCCN(C(=O)[C@H]2CCCN(S(=O)(=O)c4ccc5c(c4)oc(=O)n5C)C2)C3)cc1	ZINC000575313152	1059574180	/nfs/dbraw/zinc/57/41/80/1059574180.db2.gz	BUCAKKDYMJGCOP-NRFANRHFSA-N	0	0	579.679	3.227	50	0		KGAARN
CCOc1ccc(-c2cc3n(n2)CCCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c4ccc5c(c4)oc(=O)n5C)C2)C3)cc1	ZINC000575313155	1059574217	/nfs/dbraw/zinc/57/42/17/1059574217.db2.gz	BUCAKKDYMJGCOP-OAQYLSRUSA-N	0	0	579.679	3.227	50	0		KGAARN
Cn1c2ccc(S(=O)(=O)N3CCC(C(=O)N4CCC(C)(c5noc(-c6ccccc6)n5)CC4)CC3)cc2oc1=O	ZINC000575313205	1059574246	/nfs/dbraw/zinc/57/42/46/1059574246.db2.gz	CZNYZYMGBRZSIO-UHFFFAOYSA-N	0	0	565.652	3.163	50	0		KGAARN
CCc1ccc(-c2cc3n(n2)CCCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c4c(C)nn(C)c4C)C2)C3)cc1	ZINC000575313262	1059574130	/nfs/dbraw/zinc/57/41/30/1059574130.db2.gz	FBLBHCCUSODIKZ-HSZRJFAPSA-N	0	0	524.691	3.296	50	0		KGAARN
CCc1ccc(-c2cc3n(n2)CCCN(C(=O)[C@H]2CCCN(S(=O)(=O)c4c(C)nn(C)c4C)C2)C3)cc1	ZINC000575313263	1059574192	/nfs/dbraw/zinc/57/41/92/1059574192.db2.gz	FBLBHCCUSODIKZ-QHCPKHFHSA-N	0	0	524.691	3.296	50	0		KGAARN
CC1(c2noc(-c3cccnc3)n2)CCN(C(=O)C2CCN(S(=O)(=O)c3cccc4nsnc43)CC2)CC1	ZINC000575313303	1059574095	/nfs/dbraw/zinc/57/40/95/1059574095.db2.gz	GJBGQNBNRFXAOG-UHFFFAOYSA-N	0	0	553.670	3.117	50	0		KGAARN
CC1(c2noc(-c3ccccc3)n2)CCN(C(=O)CCS(=O)(=O)c2ccc3c(c2)CCC(=O)N3)CC1	ZINC000575313329	1059574727	/nfs/dbraw/zinc/57/47/27/1059574727.db2.gz	HGQAQSSLQCPGHK-UHFFFAOYSA-N	0	0	508.600	3.365	50	0		KGAARN
COc1ccc(-c2cc3n(n2)CCCN(C(=O)CCS(=O)(=O)c2ccc4c(c2)CCC(=O)N4)C3)cc1	ZINC000575313368	1059574746	/nfs/dbraw/zinc/57/47/46/1059574746.db2.gz	GSFDFSZIHXNZHO-UHFFFAOYSA-N	0	0	508.600	3.040	50	0		KGAARN
Cc1oc(C2CCN(C(=O)[C@H]3CC(=O)N(c4ccc(F)c(Cl)c4)C3)CC2)nc1C(=O)N1CCOCC1	ZINC000575313410	1059574772	/nfs/dbraw/zinc/57/47/72/1059574772.db2.gz	ILDYMJJMBVYPAO-KRWDZBQOSA-N	0	0	518.973	3.007	50	0		KGAARN
Cc1oc(C2CCN(C(=O)[C@@H]3CC(=O)N(c4ccc(F)c(Cl)c4)C3)CC2)nc1C(=O)N1CCOCC1	ZINC000575313411	1059574862	/nfs/dbraw/zinc/57/48/62/1059574862.db2.gz	ILDYMJJMBVYPAO-QGZVFWFLSA-N	0	0	518.973	3.007	50	0		KGAARN
CCOc1ccc(-c2cc3n(n2)CCCN(C(=O)C2CCN(S(=O)(=O)c4c(C)noc4C)CC2)C3)cc1	ZINC000575313417	1059574795	/nfs/dbraw/zinc/57/47/95/1059574795.db2.gz	IVRGDSBDJGTZKA-UHFFFAOYSA-N	0	0	527.647	3.387	50	0		KGAARN
Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)N2CCCn3nc(-c4cccc(F)c4)cc3C2)CC1	ZINC000575313428	1059574840	/nfs/dbraw/zinc/57/48/40/1059574840.db2.gz	IZHJPHHMWWNBIE-UHFFFAOYSA-N	0	0	501.584	3.127	50	0		KGAARN
Cc1nn(C)c(C)c1S(=O)(=O)N1CCC[C@H](C(=O)N2CCCn3nc(-c4cccc(Cl)c4)cc3C2)C1	ZINC000575313562	1059574653	/nfs/dbraw/zinc/57/46/53/1059574653.db2.gz	MPAIVCTYHBYXSZ-FQEVSTJZSA-N	0	0	531.082	3.387	50	0		KGAARN
Cc1nn(C)c(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)N2CCCn3nc(-c4cccc(Cl)c4)cc3C2)C1	ZINC000575313564	1059574817	/nfs/dbraw/zinc/57/48/17/1059574817.db2.gz	MPAIVCTYHBYXSZ-HXUWFJFHSA-N	0	0	531.082	3.387	50	0		KGAARN
Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)N2CCC(C)(c3noc(-c4ccccc4)n3)CC2)CC1	ZINC000575313588	1059574704	/nfs/dbraw/zinc/57/47/04/1059574704.db2.gz	NYBHOSKCSPJCCZ-UHFFFAOYSA-N	0	0	513.620	3.322	50	0		KGAARN
CC(=O)N1CCc2cc(S(=O)(=O)CCC(=O)N3CCCn4nc(-c5cccc(F)c5)cc4C3)ccc21	ZINC000575313792	1059574676	/nfs/dbraw/zinc/57/46/76/1059574676.db2.gz	PACKLDLWMCQFHO-UHFFFAOYSA-N	0	0	510.591	3.195	50	0		KGAARN
CC(=O)N1CCc2cc(S(=O)(=O)CCC(=O)N3CCCn4nc(-c5ccc(F)cc5)cc4C3)ccc21	ZINC000575313838	1059575414	/nfs/dbraw/zinc/57/54/14/1059575414.db2.gz	PQJCVFZMIVVDHN-UHFFFAOYSA-N	0	0	510.591	3.195	50	0		KGAARN
Cc1nn(C(=O)CCCC(=O)N2CCC(c3nc(C(=O)N4CCOCC4)c(C)o3)CC2)c2ccccc12	ZINC000575313874	1059575346	/nfs/dbraw/zinc/57/53/46/1059575346.db2.gz	QEJLRFQLUKXCJM-UHFFFAOYSA-N	0	0	507.591	3.330	50	0		KGAARN
Cc1oc(C2CCN(C(=O)CCC(=O)n3ncc4c3cccc4Cl)CC2)nc1C(=O)N1CCOCC1	ZINC000575314113	1059575457	/nfs/dbraw/zinc/57/54/57/1059575457.db2.gz	SMXRAYYQKALLGS-UHFFFAOYSA-N	0	0	513.982	3.285	50	0		KGAARN
Cc1nn(C)c(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)N2CCCn3nc(-c4ccc(C)c(C)c4)cc3C2)C1	ZINC000575314183	1059575325	/nfs/dbraw/zinc/57/53/25/1059575325.db2.gz	TZQWXXSCTBBIFZ-HSZRJFAPSA-N	0	0	524.691	3.350	50	0		KGAARN
Cc1nn(C)c(C)c1S(=O)(=O)N1CCC[C@H](C(=O)N2CCCn3nc(-c4ccc(C)c(C)c4)cc3C2)C1	ZINC000575314185	1059575479	/nfs/dbraw/zinc/57/54/79/1059575479.db2.gz	TZQWXXSCTBBIFZ-QHCPKHFHSA-N	0	0	524.691	3.350	50	0		KGAARN
CC1(c2noc(-c3ccccn3)n2)CCN(C(=O)C2CCN(S(=O)(=O)c3cccc4nsnc43)CC2)CC1	ZINC000575314227	1059575394	/nfs/dbraw/zinc/57/53/94/1059575394.db2.gz	TYUHEPGHDGMTPO-UHFFFAOYSA-N	0	0	553.670	3.117	50	0		KGAARN
CN(CC(=O)N1CCCC[C@@H]1c1noc(COCc2ccc(F)cc2)n1)S(=O)(=O)c1ccc2c(c1)CCC(=O)N2	ZINC000575315523	1059575372	/nfs/dbraw/zinc/57/53/72/1059575372.db2.gz	NTHZLIWTKHYJRS-HSZRJFAPSA-N	0	0	571.631	3.185	50	0		KGAARN
CN(CC(=O)N1CCCC[C@H]1c1noc(COCc2ccc(F)cc2)n1)S(=O)(=O)c1ccc2c(c1)CCC(=O)N2	ZINC000575315524	1059575436	/nfs/dbraw/zinc/57/54/36/1059575436.db2.gz	NTHZLIWTKHYJRS-QHCPKHFHSA-N	0	0	571.631	3.185	50	0		KGAARN
O=C(C1CCN(S(=O)(=O)c2cccc3nsnc32)CC1)N1CCC[C@@H](Cc2nncn2-c2ccccc2)C1	ZINC000575316726	1059575277	/nfs/dbraw/zinc/57/52/77/1059575277.db2.gz	FADHXWMDKVFPTA-IBGZPJMESA-N	0	0	551.698	3.154	50	0		KGAARN
O=C(C1CCN(S(=O)(=O)c2cccc3nsnc32)CC1)N1CCC[C@H](Cc2nncn2-c2ccccc2)C1	ZINC000575316731	1059575302	/nfs/dbraw/zinc/57/53/02/1059575302.db2.gz	FADHXWMDKVFPTA-LJQANCHMSA-N	0	0	551.698	3.154	50	0		KGAARN
CC(C)(C(=O)NCc1cccnc1)N(CCc1c[nH]c2ccccc12)C(=O)CN1C(=O)c2ccccc2C1=O	ZINC000575443624	1059539572	/nfs/dbraw/zinc/53/95/72/1059539572.db2.gz	FBVYWMKLYVHVGD-UHFFFAOYSA-N	0	0	523.593	3.325	50	0		KGAARN
CC(C)(C(=O)NCCCn1ccnc1)N(CCc1c[nH]c2ccccc12)C(=O)CN1C(=O)c2ccccc2C1=O	ZINC000575443663	1059539164	/nfs/dbraw/zinc/53/91/64/1059539164.db2.gz	GTXBLNSESGORTJ-UHFFFAOYSA-N	0	0	540.624	3.017	50	0		KGAARN
Cc1ccc(C[C@H]2CCOC3(CCN(C(=O)CN(C)S(=O)(=O)c4ccc5c(c4)oc(=O)n5C)CC3)C2)cc1	ZINC000575555120	1059575999	/nfs/dbraw/zinc/57/59/99/1059575999.db2.gz	XNQUOSKRJXUYIK-JOCHJYFZSA-N	0	0	541.670	3.091	50	0		KGAARN
Cc1ccc(C[C@@H]2CCOC3(CCN(C(=O)CN(C)S(=O)(=O)c4ccc5c(c4)oc(=O)n5C)CC3)C2)cc1	ZINC000575555125	1059575939	/nfs/dbraw/zinc/57/59/39/1059575939.db2.gz	XNQUOSKRJXUYIK-QFIPXVFZSA-N	0	0	541.670	3.091	50	0		KGAARN
Cc1ccc(CNC(=O)Cn2c(=O)c3sccc3n(CC(=O)Nc3ccc(F)c(Cl)c3)c2=O)cc1	ZINC000575606282	1059540429	/nfs/dbraw/zinc/54/04/29/1059540429.db2.gz	GCIXQMIOLIQMQB-UHFFFAOYSA-N	0	0	514.966	3.281	50	0		KGAARN
CN(CC(=O)N1CCCn2nc(-c3cccc(C(F)(F)F)c3)cc2C1)S(=O)(=O)c1ccc2c(c1)oc(=O)n2C	ZINC000581777761	1059575863	/nfs/dbraw/zinc/57/58/63/1059575863.db2.gz	FBHXPZTXAHWBED-UHFFFAOYSA-N	0	0	563.558	3.067	50	0		KGAARN
CCc1ccc(-c2cc3n(n2)CCCN(C(=O)CN(C)S(=O)(=O)c2ccc4c(c2)CCC(=O)N4)C3)cc1	ZINC000581777769	1059575709	/nfs/dbraw/zinc/57/57/09/1059575709.db2.gz	GWGAMHWLJUPENL-UHFFFAOYSA-N	0	0	521.643	3.050	50	0		KGAARN
Cc1ccc(-c2cc3n(n2)CCCN(C(=O)CN(C)S(=O)(=O)c2ccc4c(c2)CCC(=O)N4)C3)cc1C	ZINC000581777792	1059575981	/nfs/dbraw/zinc/57/59/81/1059575981.db2.gz	QGMUOOHMOQUFTM-UHFFFAOYSA-N	0	0	521.643	3.105	50	0		KGAARN
CCOc1ccc(-c2cc3n(n2)CCCN(C(=O)CCS(=O)(=O)c2ccc4c(c2)CCN4C(C)=O)C3)cc1	ZINC000581777793	1059576023	/nfs/dbraw/zinc/57/60/23/1059576023.db2.gz	QMVMQEFPYNVMQV-UHFFFAOYSA-N	0	0	536.654	3.454	50	0		KGAARN
Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)N2CCCn3nc(-c4ccc(F)cc4)cc3C2)CC1	ZINC000581777801	1059575756	/nfs/dbraw/zinc/57/57/56/1059575756.db2.gz	UACGBKQENRPPQU-UHFFFAOYSA-N	0	0	501.584	3.127	50	0		KGAARN
COc1ccc(-c2cc3n(n2)CCCN(C(=O)CCS(=O)(=O)c2ccc4c(c2)CCN4C(C)=O)C3)cc1	ZINC000581777803	1059575914	/nfs/dbraw/zinc/57/59/14/1059575914.db2.gz	UUOZZTIYGAQEKI-UHFFFAOYSA-N	0	0	522.627	3.064	50	0		KGAARN
CN(CC(=O)N1CCCn2nc(-c3ccc(C(F)(F)F)cc3)cc2C1)S(=O)(=O)c1ccc2c(c1)oc(=O)n2C	ZINC000581777809	1059575890	/nfs/dbraw/zinc/57/58/90/1059575890.db2.gz	XFVLHKZBBVMPBK-UHFFFAOYSA-N	0	0	563.558	3.067	50	0		KGAARN
COc1ccc(OC)c(S(=O)(=O)N2CCC3(CC2)C[C@H](CC(=O)NCc2ccccc2)CCO3)c1	ZINC000581786114	1059576502	/nfs/dbraw/zinc/57/65/02/1059576502.db2.gz	NFPGIWLTBUCMIB-NRFANRHFSA-N	0	0	502.633	3.360	50	0		KGAARN
COc1ccc(OC)c(S(=O)(=O)N2CCC3(CC2)C[C@@H](CC(=O)NCc2ccccc2)CCO3)c1	ZINC000581786115	1059576479	/nfs/dbraw/zinc/57/64/79/1059576479.db2.gz	NFPGIWLTBUCMIB-OAQYLSRUSA-N	0	0	502.633	3.360	50	0		KGAARN
O=C(C[C@@H]1CCOC2(CCN(S(=O)(=O)c3cccc4nsnc43)CC2)C1)NCc1ccccc1	ZINC000581786495	1059576392	/nfs/dbraw/zinc/57/63/92/1059576392.db2.gz	VXPIRHFXOCIAOS-IBGZPJMESA-N	0	0	500.646	3.348	50	0		KGAARN
O=C(C[C@H]1CCOC2(CCN(S(=O)(=O)c3cccc4nsnc43)CC2)C1)NCc1ccccc1	ZINC000581786496	1059576582	/nfs/dbraw/zinc/57/65/82/1059576582.db2.gz	VXPIRHFXOCIAOS-LJQANCHMSA-N	0	0	500.646	3.348	50	0		KGAARN
O=C(C[C@@H]1CCOC2(CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)C1)NCc1ccccc1	ZINC000581786538	1059576542	/nfs/dbraw/zinc/57/65/42/1059576542.db2.gz	YKPVVQQMVZZJFC-NRFANRHFSA-N	0	0	500.617	3.114	50	0		KGAARN
O=C(C[C@H]1CCOC2(CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)C1)NCc1ccccc1	ZINC000581786539	1059576520	/nfs/dbraw/zinc/57/65/20/1059576520.db2.gz	YKPVVQQMVZZJFC-OAQYLSRUSA-N	0	0	500.617	3.114	50	0		KGAARN
CC(=O)N1CCc2cc(S(=O)(=O)NCCCC(=O)N3CC[C@@H](CCOc4ccc(F)cc4)C3)ccc21	ZINC000581789398	1059576594	/nfs/dbraw/zinc/57/65/94/1059576594.db2.gz	OWXQJAWLNQVCNB-FQEVSTJZSA-N	0	0	517.623	3.111	50	0		KGAARN
CC(=O)N1CCc2cc(S(=O)(=O)NCCCC(=O)N3CC[C@H](CCOc4ccc(F)cc4)C3)ccc21	ZINC000581789403	1059576558	/nfs/dbraw/zinc/57/65/58/1059576558.db2.gz	OWXQJAWLNQVCNB-HXUWFJFHSA-N	0	0	517.623	3.111	50	0		KGAARN
CCn1cnnc1-c1nn(C)c2c1CN(C(=O)c1cnn3c1nc(C)c(Cc1ccc(C)cc1)c3C)CC2	ZINC000581790799	1059576464	/nfs/dbraw/zinc/57/64/64/1059576464.db2.gz	DIYAUKQMSZESFP-UHFFFAOYSA-N	0	0	509.618	3.456	50	0		KGAARN
CCc1onc(C(=O)N2CCc3c(c(-c4nncn4-c4ccccc4)nn3C)C2)c1Cc1c(C)n[nH]c1C	ZINC000581790837	1059577106	/nfs/dbraw/zinc/57/71/06/1059577106.db2.gz	FTXKOGCFODLTLE-UHFFFAOYSA-N	0	0	511.590	3.347	50	0		KGAARN
COc1ccc2c(c1)CCc1c(C(=O)N3CCc4c(c(-c5nncn5-c5ccccc5)nn4C)C3)[nH]nc1-2	ZINC000581790932	1059576920	/nfs/dbraw/zinc/57/69/20/1059576920.db2.gz	GMWQKIFXADMBCG-UHFFFAOYSA-N	0	0	506.570	3.364	50	0		KGAARN
CCCn1nc(C)c(-c2cc(C(=O)N3CCc4c(c(-c5nncn5-c5ccccc5)nn4C)C3)[nH]n2)c1C	ZINC000581791019	1059577042	/nfs/dbraw/zinc/57/70/42/1059577042.db2.gz	KRCUDATTYWURRT-UHFFFAOYSA-N	0	0	510.606	3.480	50	0		KGAARN
CCn1cnnc1-c1nn(C)c2c1CN(C(=O)c1cnn3c1nc(C)c(Cc1ccccc1C)c3C)CC2	ZINC000581791065	1059576965	/nfs/dbraw/zinc/57/69/65/1059576965.db2.gz	LWVRQNFDAZVWFL-UHFFFAOYSA-N	0	0	509.618	3.456	50	0		KGAARN
CCn1nc(C)c(-c2cc(C(=O)N3CCc4c(c(-c5nncn5Cc5ccccc5)nn4C)C3)no2)c1C	ZINC000581791274	1059576988	/nfs/dbraw/zinc/57/69/88/1059576988.db2.gz	WTYNFCUGIHMXQC-UHFFFAOYSA-N	0	0	511.590	3.414	50	0		KGAARN
Cc1onc(C(=O)N2CCc3c(c(-c4nncn4-c4ccccc4)nn3C)C2)c1Cn1cc(Cl)cn1	ZINC000581791290	1059577082	/nfs/dbraw/zinc/57/70/82/1059577082.db2.gz	XESNSBUHBQZVGC-UHFFFAOYSA-N	0	0	503.954	3.061	50	0		KGAARN
Cc1nn(C(=O)CCC(=O)N2CCc3c(c(-c4nncn4Cc4ccccc4)nn3C)C2)c2ccccc12	ZINC000581791339	1059577016	/nfs/dbraw/zinc/57/70/16/1059577016.db2.gz	ZUUROCNMZUFOOY-UHFFFAOYSA-N	0	0	508.586	3.390	50	0		KGAARN
CN(CC(=O)N1CCCC[C@@H]1c1noc(COCc2ccc(F)cc2)n1)S(=O)(=O)c1cccs1	ZINC000581796295	1059577732	/nfs/dbraw/zinc/57/77/32/1059577732.db2.gz	XIAXYALAZKNGCS-GOSISDBHSA-N	0	0	508.597	3.361	50	0		KGAARN
CN(CC(=O)N1CCCC[C@H]1c1noc(COCc2ccc(F)cc2)n1)S(=O)(=O)c1cccs1	ZINC000581796297	1059577712	/nfs/dbraw/zinc/57/77/12/1059577712.db2.gz	XIAXYALAZKNGCS-SFHVURJKSA-N	0	0	508.597	3.361	50	0		KGAARN
COc1ccc(OC)c(S(=O)(=O)N2CCC3(CC2)C[C@@H](Cc2nc(-c4cccnc4)no2)CCO3)c1	ZINC000581804091	1059577593	/nfs/dbraw/zinc/57/75/93/1059577593.db2.gz	BDUQHSXPULQOLP-GOSISDBHSA-N	0	0	514.604	3.341	50	0		KGAARN
COc1ccc(OC)c(S(=O)(=O)N2CCC3(CC2)C[C@H](Cc2nc(-c4cccnc4)no2)CCO3)c1	ZINC000581804092	1059577645	/nfs/dbraw/zinc/57/76/45/1059577645.db2.gz	BDUQHSXPULQOLP-SFHVURJKSA-N	0	0	514.604	3.341	50	0		KGAARN
COc1ccc(OC)c(S(=O)(=O)N2CCC3(CC2)C[C@@H](Cc2nc(-c4ccncc4)no2)CCO3)c1	ZINC000581804146	1059577681	/nfs/dbraw/zinc/57/76/81/1059577681.db2.gz	CZXMSLXDEGYOSJ-GOSISDBHSA-N	0	0	514.604	3.341	50	0		KGAARN
COc1ccc(OC)c(S(=O)(=O)N2CCC3(CC2)C[C@H](Cc2nc(-c4ccncc4)no2)CCO3)c1	ZINC000581804147	1059577542	/nfs/dbraw/zinc/57/75/42/1059577542.db2.gz	CZXMSLXDEGYOSJ-SFHVURJKSA-N	0	0	514.604	3.341	50	0		KGAARN
O=S(=O)(c1ccc2c(c1)OCCO2)N1CCC2(CC1)C[C@@H](Cc1nc(-c3cccnc3)no1)CCO2	ZINC000581804180	1059577614	/nfs/dbraw/zinc/57/76/14/1059577614.db2.gz	FKVBTMIAQOETNE-GOSISDBHSA-N	0	0	512.588	3.095	50	0		KGAARN
O=S(=O)(c1ccc2c(c1)OCCO2)N1CCC2(CC1)C[C@H](Cc1nc(-c3cccnc3)no1)CCO2	ZINC000581804181	1059577662	/nfs/dbraw/zinc/57/76/62/1059577662.db2.gz	FKVBTMIAQOETNE-SFHVURJKSA-N	0	0	512.588	3.095	50	0		KGAARN
O=C(NCCc1ccccn1)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)CCc2nnc(-c3cccnc3)n2CC1	ZINC000581813892	1059577755	/nfs/dbraw/zinc/57/77/55/1059577755.db2.gz	KMYOTDABDMDRCN-HSZRJFAPSA-N	0	0	559.696	3.128	50	0		KGAARN
O=C(NCCc1ccccn1)[C@H]1CCCN(S(=O)(=O)c2ccccc2)CCc2nnc(-c3cccnc3)n2CC1	ZINC000581813893	1059577570	/nfs/dbraw/zinc/57/75/70/1059577570.db2.gz	KMYOTDABDMDRCN-QHCPKHFHSA-N	0	0	559.696	3.128	50	0		KGAARN
O=C(NCc1cccnc1)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)CCc2nnc(-c3cccnc3)n2CC1	ZINC000581813964	1059578293	/nfs/dbraw/zinc/57/82/93/1059578293.db2.gz	MKKGDARTQMNXCG-HSZRJFAPSA-N	0	0	545.669	3.085	50	0		KGAARN
O=C(NCc1cccnc1)[C@H]1CCCN(S(=O)(=O)c2ccccc2)CCc2nnc(-c3cccnc3)n2CC1	ZINC000581813967	1059578315	/nfs/dbraw/zinc/57/83/15/1059578315.db2.gz	MKKGDARTQMNXCG-QHCPKHFHSA-N	0	0	545.669	3.085	50	0		KGAARN
O=C(NC1CCCC1)[C@H]1CCCN(S(=O)(=O)c2ccccc2)CCc2nnc(-c3cccnc3)n2CC1	ZINC000581813991	1059578129	/nfs/dbraw/zinc/57/81/29/1059578129.db2.gz	NRHKFVFHXHCCBF-NRFANRHFSA-N	0	0	522.675	3.432	50	0		KGAARN
O=C(NC1CCCC1)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)CCc2nnc(-c3cccnc3)n2CC1	ZINC000581813993	1059578107	/nfs/dbraw/zinc/57/81/07/1059578107.db2.gz	NRHKFVFHXHCCBF-OAQYLSRUSA-N	0	0	522.675	3.432	50	0		KGAARN
O=C(NCCc1cccnc1)[C@H]1CCCN(S(=O)(=O)c2ccccc2)CCc2nnc(-c3cccnc3)n2CC1	ZINC000581814083	1059578080	/nfs/dbraw/zinc/57/80/80/1059578080.db2.gz	SHEVQDVEASHQIX-DEOSSOPVSA-N	0	0	559.696	3.128	50	0		KGAARN
O=C(NCCc1cccnc1)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)CCc2nnc(-c3cccnc3)n2CC1	ZINC000581814084	1059578271	/nfs/dbraw/zinc/57/82/71/1059578271.db2.gz	SHEVQDVEASHQIX-XMMPIXPASA-N	0	0	559.696	3.128	50	0		KGAARN
O=C(NCCc1ccncc1)[C@H]1CCCN(S(=O)(=O)c2ccccc2)CCc2nnc(-c3cccnc3)n2CC1	ZINC000581814165	1059578341	/nfs/dbraw/zinc/57/83/41/1059578341.db2.gz	YEQHYALWNUHMOM-DEOSSOPVSA-N	0	0	559.696	3.128	50	0		KGAARN
O=C(NCCc1ccncc1)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)CCc2nnc(-c3cccnc3)n2CC1	ZINC000581814166	1059578151	/nfs/dbraw/zinc/57/81/51/1059578151.db2.gz	YEQHYALWNUHMOM-XMMPIXPASA-N	0	0	559.696	3.128	50	0		KGAARN
COc1ccc(CCNC(=O)CCCn2c(=O)c3ccccc3n(CC(=O)Nc3ccccc3F)c2=O)cc1OC	ZINC000585148575	1059581266	/nfs/dbraw/zinc/58/12/66/1059581266.db2.gz	NOOXASSZZXCKAW-UHFFFAOYSA-N	0	0	562.598	3.097	50	0		KGAARN
COc1cc([C@H](CC(=O)NCC2(N3CCOCC3)CCCCC2)c2oc(C)cc(=O)c2O)ccc1O	ZINC000604403891	1059561968	/nfs/dbraw/zinc/56/19/68/1059561968.db2.gz	CIMGPVVEPMTOEB-FQEVSTJZSA-N	0	0	500.592	3.041	50	0		KGAARN
COc1cc([C@@H](CC(=O)NCC2(N3CCOCC3)CCCCC2)c2oc(C)cc(=O)c2O)ccc1O	ZINC000604403892	1059561936	/nfs/dbraw/zinc/56/19/36/1059561936.db2.gz	CIMGPVVEPMTOEB-HXUWFJFHSA-N	0	0	500.592	3.041	50	0		KGAARN
COc1cc2c(c(OC)c1OC)-c1ccc(NCCCC(=O)Nc3cn[nH]c3)c(=O)cc1[C@@H](NC(C)=O)CC2	ZINC000604404160	1059562665	/nfs/dbraw/zinc/56/26/65/1059562665.db2.gz	DMFDCOPPTPDXGP-NRFANRHFSA-N	0	0	535.601	3.417	50	0		KGAARN
COCc1n[nH]c([C@@H](NC(=O)C[C@H](c2ccc(O)c(OC)c2)c2oc(C)cc(=O)c2O)c2ccc(OC)cc2)n1	ZINC000604404236	1059563387	/nfs/dbraw/zinc/56/33/87/1059563387.db2.gz	MBQGXLQEBSEXBU-CLOONOSVSA-N	0	0	550.568	3.069	50	0		KGAARN
COCc1n[nH]c([C@@H](NC(=O)C[C@@H](c2ccc(O)c(OC)c2)c2oc(C)cc(=O)c2O)c2ccc(OC)cc2)n1	ZINC000604404242	1059563418	/nfs/dbraw/zinc/56/34/18/1059563418.db2.gz	MBQGXLQEBSEXBU-DFBJGRDBSA-N	0	0	550.568	3.069	50	0		KGAARN
COCc1n[nH]c([C@H](NC(=O)C[C@H](c2ccc(O)c(OC)c2)c2oc(C)cc(=O)c2O)c2ccc(OC)cc2)n1	ZINC000604404243	1059563347	/nfs/dbraw/zinc/56/33/47/1059563347.db2.gz	MBQGXLQEBSEXBU-KBMIEXCESA-N	0	0	550.568	3.069	50	0		KGAARN
COc1cc([C@H](CC(=O)NC[C@@H](c2ccc(OC)c(OC)c2)N(C)C)c2oc(C)cc(=O)c2O)ccc1O	ZINC000604404244	1059563199	/nfs/dbraw/zinc/56/31/99/1059563199.db2.gz	AFYDWHVNIWXKQI-PMACEKPBSA-N	0	0	526.586	3.326	50	0		KGAARN
COCc1n[nH]c([C@H](NC(=O)C[C@@H](c2ccc(O)c(OC)c2)c2oc(C)cc(=O)c2O)c2ccc(OC)cc2)n1	ZINC000604404245	1059563260	/nfs/dbraw/zinc/56/32/60/1059563260.db2.gz	MBQGXLQEBSEXBU-UQBPGWFLSA-N	0	0	550.568	3.069	50	0		KGAARN
COc1cc([C@@H](CC(=O)NC[C@@H](c2ccc(OC)c(OC)c2)N(C)C)c2oc(C)cc(=O)c2O)ccc1O	ZINC000604404248	1059563458	/nfs/dbraw/zinc/56/34/58/1059563458.db2.gz	AFYDWHVNIWXKQI-UXHICEINSA-N	0	0	526.586	3.326	50	0		KGAARN
COc1cc([C@H](CC(=O)NC[C@H](c2ccc(OC)c(OC)c2)N(C)C)c2oc(C)cc(=O)c2O)ccc1O	ZINC000604404250	1059563148	/nfs/dbraw/zinc/56/31/48/1059563148.db2.gz	AFYDWHVNIWXKQI-VQTJNVASSA-N	0	0	526.586	3.326	50	0		KGAARN
COc1cc([C@@H](CC(=O)NC[C@H](c2ccc(OC)c(OC)c2)N(C)C)c2oc(C)cc(=O)c2O)ccc1O	ZINC000604404251	1059563300	/nfs/dbraw/zinc/56/33/00/1059563300.db2.gz	AFYDWHVNIWXKQI-WOJBJXKFSA-N	0	0	526.586	3.326	50	0		KGAARN
CNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@H](C)Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2	ZINC000604404411	1059563239	/nfs/dbraw/zinc/56/32/39/1059563239.db2.gz	MYIGAQUSCTXWGL-OOXLZHEQSA-N	0	0	628.726	3.363	50	0		KGAARN
COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](CCSC)C(=O)N3CCCN(S(=O)(=O)N4CCCC4)CC3)c(=O)cc1[C@@H](NC(C)=O)CC2	ZINC000604404609	1059564463	/nfs/dbraw/zinc/56/44/63/1059564463.db2.gz	FSTKYJOKUUVVMY-YTMVLYRLSA-N	0	0	731.938	3.272	50	0		KGAARN
COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](C)C(=O)Nc3cc[nH]n3)c(=O)cc1[C@@H](NC(C)=O)CC2	ZINC000604405033	1060033251	/nfs/dbraw/zinc/03/32/51/1060033251.db2.gz	OUNQXRAXCVJTDD-LIRRHRJNSA-N	0	0	521.574	3.025	50	0		KGAARN
CC[C@@H](C)[C@H](Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)Nc1nc[nH]n1	ZINC000604405054	1059565552	/nfs/dbraw/zinc/56/55/52/1059565552.db2.gz	UXUHKJJGGWYSQO-JUCRVNNTSA-N	0	0	564.643	3.446	50	0		KGAARN
COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](C)C(=O)NCCCc3nnc4ccccn43)c(=O)cc1[C@@H](NC(C)=O)CC2	ZINC000604405093	1059565609	/nfs/dbraw/zinc/56/56/09/1059565609.db2.gz	QALAHXOIKMIIBY-CYFREDJKSA-N	0	0	614.703	3.455	50	0		KGAARN
COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](C)C(=O)NCCc3nnc4ccccn43)c(=O)cc1[C@@H](NC(C)=O)CC2	ZINC000604405096	1059565583	/nfs/dbraw/zinc/56/55/83/1059565583.db2.gz	WGEGOUOWJBCQDF-MBSDFSHPSA-N	0	0	600.676	3.065	50	0		KGAARN
CC[C@@H](C)[C@H](Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)NCCc1ncn(C)n1	ZINC000604405244	1059566307	/nfs/dbraw/zinc/56/63/07/1059566307.db2.gz	OLUBZOQKTDJGQS-XGGVPNMNSA-N	0	0	606.724	3.177	50	0		KGAARN
COc1cc([C@H](CC(=O)N[C@@H](Cc2ccccc2)C(=O)N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c2oc(C)cc(=O)c2O)ccc1O	ZINC000604405330	1059566366	/nfs/dbraw/zinc/56/63/66/1059566366.db2.gz	ZHAOPDSWWPYEJT-BDGPUAICSA-N	0	0	639.705	3.425	50	0		KGAARN
COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](CCSC)C(=O)Nc3nc[nH]n3)c(=O)cc1[C@@H](NC(C)=O)CC2	ZINC000604405332	1059566142	/nfs/dbraw/zinc/56/61/42/1059566142.db2.gz	RFLJWXVAPIOXEG-FPOVZHCZSA-N	0	0	582.683	3.153	50	0		KGAARN
COc1cc([C@@H](CC(=O)N[C@@H](Cc2ccccc2)C(=O)N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c2oc(C)cc(=O)c2O)ccc1O	ZINC000604405333	1059566289	/nfs/dbraw/zinc/56/62/89/1059566289.db2.gz	ZHAOPDSWWPYEJT-ZJHRHMSFSA-N	0	0	639.705	3.425	50	0		KGAARN
COc1cc([C@H](CC(=O)NCCCCCC(=O)N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c2oc(C)cc(=O)c2O)ccc1O	ZINC000604405390	1059566720	/nfs/dbraw/zinc/56/67/20/1059566720.db2.gz	RVBAZJFNESSUCE-NHTMILBNSA-N	0	0	605.688	3.374	50	0		KGAARN
COc1cc([C@@H](CC(=O)NCCCCCC(=O)N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c2oc(C)cc(=O)c2O)ccc1O	ZINC000604405391	1059566891	/nfs/dbraw/zinc/56/68/91/1059566891.db2.gz	RVBAZJFNESSUCE-YFNKSVMNSA-N	0	0	605.688	3.374	50	0		KGAARN
COc1cc([C@H](CC(=O)NC[C@@H](c2cc(OC)c(OC)c(OC)c2)N(C)C)c2oc(C)cc(=O)c2O)ccc1O	ZINC000604405587	1059566934	/nfs/dbraw/zinc/56/69/34/1059566934.db2.gz	RGLHLKJIFMRJLU-PMACEKPBSA-N	0	0	556.612	3.335	50	0		KGAARN
COc1cc([C@@H](CC(=O)NC[C@@H](c2cc(OC)c(OC)c(OC)c2)N(C)C)c2oc(C)cc(=O)c2O)ccc1O	ZINC000604405588	1059566780	/nfs/dbraw/zinc/56/67/80/1059566780.db2.gz	RGLHLKJIFMRJLU-UXHICEINSA-N	0	0	556.612	3.335	50	0		KGAARN
COc1cc([C@H](CC(=O)NC[C@H](c2cc(OC)c(OC)c(OC)c2)N(C)C)c2oc(C)cc(=O)c2O)ccc1O	ZINC000604405589	1059566741	/nfs/dbraw/zinc/56/67/41/1059566741.db2.gz	RGLHLKJIFMRJLU-VQTJNVASSA-N	0	0	556.612	3.335	50	0		KGAARN
COc1cc([C@@H](CC(=O)NC[C@H](c2cc(OC)c(OC)c(OC)c2)N(C)C)c2oc(C)cc(=O)c2O)ccc1O	ZINC000604405590	1059567503	/nfs/dbraw/zinc/56/75/03/1059567503.db2.gz	RGLHLKJIFMRJLU-WOJBJXKFSA-N	0	0	556.612	3.335	50	0		KGAARN
CC[C@@H](C)[C@H](NC(=O)C[C@H](c1ccc(O)c(OC)c1)c1oc(C)cc(=O)c1O)C(=O)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2	ZINC000604405996	1059567538	/nfs/dbraw/zinc/56/75/38/1059567538.db2.gz	WPBKMWSCHJUZTK-ICNWFVKUSA-N	0	0	605.688	3.229	50	0		KGAARN
CC[C@H](C)[C@H](NC(=O)C[C@@H](c1ccc(O)c(OC)c1)c1oc(C)cc(=O)c1O)C(=O)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2	ZINC000604405997	1059567633	/nfs/dbraw/zinc/56/76/33/1059567633.db2.gz	WPBKMWSCHJUZTK-MABHXKRLSA-N	0	0	605.688	3.229	50	0		KGAARN
CC[C@@H](C)[C@H](NC(=O)C[C@@H](c1ccc(O)c(OC)c1)c1oc(C)cc(=O)c1O)C(=O)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2	ZINC000604405998	1059567696	/nfs/dbraw/zinc/56/76/96/1059567696.db2.gz	WPBKMWSCHJUZTK-MKAYZGKUSA-N	0	0	605.688	3.229	50	0		KGAARN
CC[C@H](C)[C@H](NC(=O)C[C@H](c1ccc(O)c(OC)c1)c1oc(C)cc(=O)c1O)C(=O)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2	ZINC000604405999	1059567655	/nfs/dbraw/zinc/56/76/55/1059567655.db2.gz	WPBKMWSCHJUZTK-RRSUGFTNSA-N	0	0	605.688	3.229	50	0		KGAARN
COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](C)C(=O)NCc3nnc4ccccn43)c(=O)cc1[C@@H](NC(C)=O)CC2	ZINC000604406031	1059568129	/nfs/dbraw/zinc/56/81/29/1059568129.db2.gz	YYGWEYBYXLPJHZ-JTSKRJEESA-N	0	0	586.649	3.023	50	0		KGAARN
COCc1nc(NC(=O)[C@H](CCSC)Nc2ccc3c(cc2=O)[C@@H](NC(C)=O)CCc2cc(OC)c(OC)c(OC)c2-3)n[nH]1	ZINC000604406071	1059568289	/nfs/dbraw/zinc/56/82/89/1059568289.db2.gz	ZWHGBGUZYDIBHF-UNMCSNQZSA-N	0	0	626.736	3.300	50	0		KGAARN
CC[C@@H](C)[C@H](Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)NCCC(=O)OC	ZINC000604406188	1059568212	/nfs/dbraw/zinc/56/82/12/1059568212.db2.gz	YBLKQFGMUQQJEH-IWWVAPJASA-N	0	0	583.682	3.369	50	0		KGAARN
COc1cc([C@H](CC(=O)N[C@@H](CC(C)C)C(=O)N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c2oc(C)cc(=O)c2O)ccc1O	ZINC000604406208	1059568250	/nfs/dbraw/zinc/56/82/50/1059568250.db2.gz	ZFYQFOFZYGNTPC-KAMZKSLDSA-N	0	0	605.688	3.229	50	0		KGAARN
COc1cc([C@@H](CC(=O)N[C@@H](CC(C)C)C(=O)N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c2oc(C)cc(=O)c2O)ccc1O	ZINC000604406209	1059568193	/nfs/dbraw/zinc/56/81/93/1059568193.db2.gz	ZFYQFOFZYGNTPC-ONTLXTELSA-N	0	0	605.688	3.229	50	0		KGAARN
COc1cc2c(c(OC)c1OC)-c1ccc(NCCCC(=O)Nc3cc[nH]n3)c(=O)cc1[C@@H](NC(C)=O)CC2	ZINC000604406215	1060033323	/nfs/dbraw/zinc/03/33/23/1060033323.db2.gz	ZHSUSYZFNGFDBS-FQEVSTJZSA-N	0	0	535.601	3.417	50	0		KGAARN
CNC(=O)Cc1csc(NC(=O)[C@H](C)Nc2ccc3c(cc2=O)[C@@H](NC(C)=O)CCc2cc(OC)c(OC)c(OC)c2-3)n1	ZINC000604406287	1059569002	/nfs/dbraw/zinc/56/90/02/1059569002.db2.gz	CTLLRNMBKUEEJG-BTYIYWSLSA-N	0	0	609.705	3.047	50	0		KGAARN
COc1cc2c(c(OC)c1OC)-c1ccc(N[C@H](C(=O)N3CCN(S(=O)(=O)c4c(C)n[nH]c4C)CC3)C(C)C)c(=O)cc1[C@@H](NC(C)=O)CC2	ZINC000604406294	1059568766	/nfs/dbraw/zinc/56/87/66/1059568766.db2.gz	DQQXKEAREAONMN-HVNZXBJASA-N	0	0	710.854	3.173	50	0		KGAARN
COC(=O)C[C@@H](c1cc2ccccc2n(CC(C)C)c1=O)c1c(O)cc(C)n(CCc2c[nH]cn2)c1=O	ZINC000604418662	1059568869	/nfs/dbraw/zinc/56/88/69/1059568869.db2.gz	YWZNGQJOSUWUMA-NRFANRHFSA-N	0	0	504.587	3.494	50	0		KGAARN
COC(=O)C[C@H](c1cc2ccccc2n(CC(C)C)c1=O)c1c(O)cc(C)n(CCc2c[nH]cn2)c1=O	ZINC000604418663	1059568698	/nfs/dbraw/zinc/56/86/98/1059568698.db2.gz	YWZNGQJOSUWUMA-OAQYLSRUSA-N	0	0	504.587	3.494	50	0		KGAARN
Cc1nn(C)c(C)c1S(=O)(=O)N1CCC([NH+]2CCC(Oc3ccc(C(F)(F)F)cn3)CC2)CC1	ZINC000618255831	1059569394	/nfs/dbraw/zinc/56/93/94/1059569394.db2.gz	ALSUJTOEKLKWJA-UHFFFAOYSA-N	0	0	501.575	3.147	50	0		KGAARN
Cc1nn(C(C)C)c(C)c1S(=O)(=O)N1CCC(N2CCN(c3ccc(C(F)(F)F)cn3)CC2)CC1	ZINC000618256252	1059543384	/nfs/dbraw/zinc/54/33/84/1059543384.db2.gz	GWPWYFDMOOBPMZ-UHFFFAOYSA-N	0	0	514.618	3.470	50	0		KGAARN
Cn1cnc(S(=O)(=O)N2CCC([NH+]3CCC(Oc4ncc(C(F)(F)F)cc4Cl)CC3)CC2)c1	ZINC000618256555	1059569350	/nfs/dbraw/zinc/56/93/50/1059569350.db2.gz	JOFNVZKYPNWSEE-UHFFFAOYSA-N	0	0	507.966	3.184	50	0		KGAARN
Cc1nn(C)c(C)c1S(=O)(=O)N1CCC(N2CCN(c3ncc(C(F)(F)F)cc3Cl)[C@H](C)C2)CC1	ZINC000618257165	1059570085	/nfs/dbraw/zinc/57/00/85/1059570085.db2.gz	SSJXLMOJXDVAHA-CQSZACIVSA-N	0	0	535.036	3.468	50	0		KGAARN
Cc1nn(C)c(C)c1S(=O)(=O)N1CCC(N2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)CC1	ZINC000618257326	1059570148	/nfs/dbraw/zinc/57/01/48/1059570148.db2.gz	VUIIWLUDQIODCW-UHFFFAOYSA-N	0	0	521.009	3.079	50	0		KGAARN
Cc1ccc(S(=O)(=O)n2cc(I)c3c2nc(NC(=O)C(C)(C)C)[nH]c3=O)cc1	ZINC000642882521	1060024694	/nfs/dbraw/zinc/02/46/94/1060024694.db2.gz	HBXYNNAUBFKGTQ-UHFFFAOYSA-N	0	0	514.345	3.272	50	0		KGAARN
CC(=O)N1CCC(CN2CCn3cc(C(=O)NCCOc4ccccc4)nc3[C@H]2c2ccccc2)CC1	ZINC000675015692	1059085530	/nfs/dbraw/zinc/08/55/30/1059085530.db2.gz	RJLRRUPAXRMLDA-HHHXNRCGSA-N	0	0	501.631	3.355	50	0		KGAARN
CC(=O)N1CCC(CN2CCn3cc(C(=O)NCCOc4ccccc4)nc3[C@@H]2c2ccccc2)CC1	ZINC000675015695	1059085341	/nfs/dbraw/zinc/08/53/41/1059085341.db2.gz	RJLRRUPAXRMLDA-MHZLTWQESA-N	0	0	501.631	3.355	50	0		KGAARN
O=C(CN1c2ccccc2[C@@]2(Nc3ccccc3-c3nnnn32)C1=O)NCc1ccccc1C(F)(F)F	ZINC000685943993	1059076473	/nfs/dbraw/zinc/07/64/73/1059076473.db2.gz	SYUWKOIYJPAYHW-DEOSSOPVSA-N	0	0	505.460	3.149	50	0		KGAARN
O=C(CN1c2ccccc2[C@]2(Nc3ccccc3-c3nnnn32)C1=O)NCc1ccccc1C(F)(F)F	ZINC000685943994	1059076501	/nfs/dbraw/zinc/07/65/01/1059076501.db2.gz	SYUWKOIYJPAYHW-XMMPIXPASA-N	0	0	505.460	3.149	50	0		KGAARN
CCN(CC)c1ccc2c(c1)Oc1c(ccc(O[C@@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@H]3O)c1CF)[C@@]21OCc2ccccc21	ZINC000685965967	1059561550	/nfs/dbraw/zinc/56/15/50/1059561550.db2.gz	SVEDIEUQTRCORD-CDCSCOEISA-N	0	0	567.610	3.109	50	0		KGAARN
CCN(CC)c1ccc2c(c1)Oc1c(ccc(O[C@@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@H]3O)c1CF)[C@]21OCc2ccccc21	ZINC000685965968	1059561430	/nfs/dbraw/zinc/56/14/30/1059561430.db2.gz	SVEDIEUQTRCORD-ITEDKQQZSA-N	0	0	567.610	3.109	50	0		KGAARN
CCN(CC)c1ccc2c(c1)Oc1c(ccc(O[C@@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)c1CF)[C@@]21OCc2ccccc21	ZINC000685965969	1059561469	/nfs/dbraw/zinc/56/14/69/1059561469.db2.gz	SVEDIEUQTRCORD-OUDREOOKSA-N	0	0	567.610	3.109	50	0		KGAARN
CCN(CC)c1ccc2c(c1)Oc1c(ccc(O[C@@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)c1CF)[C@]21OCc2ccccc21	ZINC000685965970	1059561530	/nfs/dbraw/zinc/56/15/30/1059561530.db2.gz	SVEDIEUQTRCORD-WMTDIPOTSA-N	0	0	567.610	3.109	50	0		KGAARN
COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)c2cc3c(=O)[nH]c(=O)n(Cc4cccnc4)c3nc2C[C@H]1C	ZINC000824566869	1059570961	/nfs/dbraw/zinc/57/09/61/1059570961.db2.gz	GOPYRCZIPBOSLB-MUDIAHQHSA-N	0	0	548.939	3.000	50	0		KGAARN
COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)c2cc3c(=O)[nH]c(=O)n(Cc4ccncc4)c3nc2C[C@H]1C	ZINC000824567098	1059571412	/nfs/dbraw/zinc/57/14/12/1059571412.db2.gz	KFPJGMRFKIQBCG-MUDIAHQHSA-N	0	0	548.939	3.000	50	0		KGAARN
COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)c2cc3c(=O)[nH]c(=O)n(Cc4ccccn4)c3nc2C[C@H]1C	ZINC000824567234	1059571518	/nfs/dbraw/zinc/57/15/18/1059571518.db2.gz	OKMCNJKMAZQSJA-MUDIAHQHSA-N	0	0	548.939	3.000	50	0		KGAARN
COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)c2cc3c(=O)[nH]c(=O)n(Cc4ccc5c(c4)OCO5)c3nc2C[C@H]1C	ZINC000824567477	1059572543	/nfs/dbraw/zinc/57/25/43/1059572543.db2.gz	UARFLZLBWCXNFA-ZNNHIBJESA-N	0	0	591.960	3.334	50	0		KGAARN
COc1ccc(-c2oc3c(oc(C)cc3=O)c2CC(=O)N[C@@H](C)C(=O)N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc1	ZINC000824692067	1059573613	/nfs/dbraw/zinc/57/36/13/1059573613.db2.gz	AVKGATGJWBNJAC-ZVDOUQERSA-N	0	0	557.603	3.225	50	0		KGAARN
COC(=O)c1ccc(NC(=O)CNC(=O)Cc2c(-c3ccc(OC)cc3)oc3c2oc(C)cc3=O)cc1	ZINC000824692136	1059573638	/nfs/dbraw/zinc/57/36/38/1059573638.db2.gz	SYBUHYCTKGTHSS-UHFFFAOYSA-N	0	0	504.495	3.454	50	0		KGAARN
COc1cc2c(c(OC)c1OC)-c1ccc(NCCCC(=O)NCc3nnnn3-c3ccccc3)c(=O)cc1[C@@H](NC(C)=O)CC2	ZINC000888088370	1059123885	/nfs/dbraw/zinc/12/38/85/1059123885.db2.gz	RNPZFEGUCBBKNC-VWLOTQADSA-N	0	0	627.702	3.347	50	0		KGAARN
COc1cc2c(c(OC)c1OC)-c1ccc(NCCCC(=O)NCc3nc(C)no3)c(=O)cc1[C@@H](NC(C)=O)CC2	ZINC000888088471	1059123801	/nfs/dbraw/zinc/12/38/01/1059123801.db2.gz	BFQSORJUMFFDGB-NRFANRHFSA-N	0	0	565.627	3.063	50	0		KGAARN
COc1cc2c(c(OC)c1OC)-c1ccc(N[C@H](C(=O)NCCN3CCCC3=O)C(C)C)c(=O)cc1[C@@H](NC(C)=O)CC2	ZINC000888088746	1059124886	/nfs/dbraw/zinc/12/48/86/1059124886.db2.gz	PIQXXBKLXRKQDP-IADCTJSHSA-N	0	0	594.709	3.038	50	0		KGAARN
CCCC[C@@H](Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)N[C@H]1CCS(=O)(=O)C1	ZINC000888088805	1059124826	/nfs/dbraw/zinc/12/48/26/1059124826.db2.gz	RSJULBLUMLFPEV-GRYUFTJMSA-N	0	0	615.749	3.137	50	0		KGAARN
CCCC[C@@H](Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)N[C@@H]1CCS(=O)(=O)C1	ZINC000888088806	1059125081	/nfs/dbraw/zinc/12/50/81/1059125081.db2.gz	RSJULBLUMLFPEV-JHMXWDHMSA-N	0	0	615.749	3.137	50	0		KGAARN
CCCC[C@H](Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)N[C@H]1CCS(=O)(=O)C1	ZINC000888088807	1059125026	/nfs/dbraw/zinc/12/50/26/1059125026.db2.gz	RSJULBLUMLFPEV-OPHFCASCSA-N	0	0	615.749	3.137	50	0		KGAARN
CCCC[C@H](Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)N[C@@H]1CCS(=O)(=O)C1	ZINC000888088808	1059124942	/nfs/dbraw/zinc/12/49/42/1059124942.db2.gz	RSJULBLUMLFPEV-PBXXJUDPSA-N	0	0	615.749	3.137	50	0		KGAARN
COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C2=C(C[C@@H]1C)Nc1c(c(=O)n(C)c(=O)n1C)[C@H]2c1ccc2c(c1)n(C)c(=O)n2C	ZINC000888089079	1059126032	/nfs/dbraw/zinc/12/60/32/1059126032.db2.gz	HAPZVIXIQBNXJT-DYTMBIQKSA-N	0	0	648.072	3.029	50	0		KGAARN
COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C2=C(C[C@H]1C)Nc1c(c(=O)n(C)c(=O)n1C)[C@H]2c1ccc2c(c1)n(C)c(=O)n2C	ZINC000888089080	1059126937	/nfs/dbraw/zinc/12/69/37/1059126937.db2.gz	HAPZVIXIQBNXJT-FGUXERLGSA-N	0	0	648.072	3.029	50	0		KGAARN
COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C2=C(C[C@@H]1C)Nc1c(c(=O)n(C)c(=O)n1C)[C@@H]2c1ccc2c(c1)n(C)c(=O)n2C	ZINC000888089081	1059126906	/nfs/dbraw/zinc/12/69/06/1059126906.db2.gz	HAPZVIXIQBNXJT-KSTJUMFLSA-N	0	0	648.072	3.029	50	0		KGAARN
COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C2=C(C[C@H]1C)Nc1c(c(=O)n(C)c(=O)n1C)[C@@H]2c1ccc2c(c1)n(C)c(=O)n2C	ZINC000888089082	1059126918	/nfs/dbraw/zinc/12/69/18/1059126918.db2.gz	HAPZVIXIQBNXJT-VOZGCOFFSA-N	0	0	648.072	3.029	50	0		KGAARN
COc1cc2c(c(OC)c1OC)-c1ccc(N[C@H](C)C(=O)Nc3cc[nH]n3)c(=O)cc1[C@H](NC(C)=O)CC2	ZINC000888089217	1059126898	/nfs/dbraw/zinc/12/68/98/1059126898.db2.gz	OUNQXRAXCVJTDD-AUUYWEPGSA-N	0	0	521.574	3.025	50	0		KGAARN
COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](C)C(=O)Nc3cc[nH]n3)c(=O)cc1[C@H](NC(C)=O)CC2	ZINC000888089218	1059126835	/nfs/dbraw/zinc/12/68/35/1059126835.db2.gz	OUNQXRAXCVJTDD-IFXJQAMLSA-N	0	0	521.574	3.025	50	0		KGAARN
COc1cc2c(c(OC)c1OC)-c1ccc(N[C@H](C)C(=O)Nc3cc[nH]n3)c(=O)cc1[C@@H](NC(C)=O)CC2	ZINC000888089219	1059126790	/nfs/dbraw/zinc/12/67/90/1059126790.db2.gz	OUNQXRAXCVJTDD-KUHUBIRLSA-N	0	0	521.574	3.025	50	0		KGAARN
COc1cc2c(c(OC)c1OC)-c1ccc(NCCCC(=O)Nc3cc[nH]n3)c(=O)cc1[C@H](NC(C)=O)CC2	ZINC000888089392	1059127890	/nfs/dbraw/zinc/12/78/90/1059127890.db2.gz	ZHSUSYZFNGFDBS-HXUWFJFHSA-N	0	0	535.601	3.417	50	0		KGAARN
CC[C@H](C)[C@H](Nc1ccc2c(cc1=O)[C@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)Nc1nc[nH]n1	ZINC000888089647	1059128034	/nfs/dbraw/zinc/12/80/34/1059128034.db2.gz	UXUHKJJGGWYSQO-HPIXUHPUSA-N	0	0	564.643	3.446	50	0		KGAARN
CC[C@H](C)[C@@H](Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)Nc1nc[nH]n1	ZINC000888089648	1059127998	/nfs/dbraw/zinc/12/79/98/1059127998.db2.gz	UXUHKJJGGWYSQO-PCKXHRCSSA-N	0	0	564.643	3.446	50	0		KGAARN
CC[C@H](C)[C@H](Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)Nc1nc[nH]n1	ZINC000888089649	1059128994	/nfs/dbraw/zinc/12/89/94/1059128994.db2.gz	UXUHKJJGGWYSQO-SOJACNMYSA-N	0	0	564.643	3.446	50	0		KGAARN
CC[C@H](C)[C@@H](Nc1ccc2c(cc1=O)[C@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)Nc1nc[nH]n1	ZINC000888089650	1059129190	/nfs/dbraw/zinc/12/91/90/1059129190.db2.gz	UXUHKJJGGWYSQO-YSANICFGSA-N	0	0	564.643	3.446	50	0		KGAARN
COCc1nc(NC(=O)[C@@H](CCSC)Nc2ccc3c(cc2=O)[C@H](NC(C)=O)CCc2cc(OC)c(OC)c(OC)c2-3)n[nH]1	ZINC000888090076	1059130884	/nfs/dbraw/zinc/13/08/84/1059130884.db2.gz	ZWHGBGUZYDIBHF-IFMALSPDSA-N	0	0	626.736	3.300	50	0		KGAARN
COCc1nc(NC(=O)[C@H](CCSC)Nc2ccc3c(cc2=O)[C@H](NC(C)=O)CCc2cc(OC)c(OC)c(OC)c2-3)n[nH]1	ZINC000888090077	1059130828	/nfs/dbraw/zinc/13/08/28/1059130828.db2.gz	ZWHGBGUZYDIBHF-IRLDBZIGSA-N	0	0	626.736	3.300	50	0		KGAARN
COCc1nc(NC(=O)[C@@H](CCSC)Nc2ccc3c(cc2=O)[C@@H](NC(C)=O)CCc2cc(OC)c(OC)c(OC)c2-3)n[nH]1	ZINC000888090078	1059130890	/nfs/dbraw/zinc/13/08/90/1059130890.db2.gz	ZWHGBGUZYDIBHF-RBBKRZOGSA-N	0	0	626.736	3.300	50	0		KGAARN
COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](CCSC)C(=O)Nc3nc[nH]n3)c(=O)cc1[C@H](NC(C)=O)CC2	ZINC000888090315	1059131744	/nfs/dbraw/zinc/13/17/44/1059131744.db2.gz	RFLJWXVAPIOXEG-CTNGQTDRSA-N	0	0	582.683	3.153	50	0		KGAARN
COc1cc2c(c(OC)c1OC)-c1ccc(N[C@H](CCSC)C(=O)Nc3nc[nH]n3)c(=O)cc1[C@@H](NC(C)=O)CC2	ZINC000888090316	1059131731	/nfs/dbraw/zinc/13/17/31/1059131731.db2.gz	RFLJWXVAPIOXEG-PZJWPPBQSA-N	0	0	582.683	3.153	50	0		KGAARN
COc1cc2c(c(OC)c1OC)-c1ccc(N[C@H](CCSC)C(=O)Nc3nc[nH]n3)c(=O)cc1[C@H](NC(C)=O)CC2	ZINC000888090317	1059131518	/nfs/dbraw/zinc/13/15/18/1059131518.db2.gz	RFLJWXVAPIOXEG-TZIWHRDSSA-N	0	0	582.683	3.153	50	0		KGAARN
COC(=O)C[C@@H](c1cc2ccccc2n(CC(C)C)c1=O)c1c(O)cc(C)n(CCc2c[nH]cn2)c1=O	ZINC000888090413	1059131619	/nfs/dbraw/zinc/13/16/19/1059131619.db2.gz	XDSIMRPQAIOXKU-NRFANRHFSA-N	0	0	504.587	3.494	50	0		KGAARN
COC(=O)C[C@H](c1cc2ccccc2n(CC(C)C)c1=O)c1c(O)cc(C)n(CCc2c[nH]cn2)c1=O	ZINC000888090414	1059131538	/nfs/dbraw/zinc/13/15/38/1059131538.db2.gz	XDSIMRPQAIOXKU-OAQYLSRUSA-N	0	0	504.587	3.494	50	0		KGAARN
COc1cc(OC)c(NC(=O)CN2C=C(c3nc(-c4ccccc4)no3)C(C)=NS2(=O)=O)cc1Cl	ZINC000888104327	1059136498	/nfs/dbraw/zinc/13/64/98/1059136498.db2.gz	CKICNKIJPVTZGG-UHFFFAOYSA-N	0	0	517.951	3.408	50	0		KGAARN
CCc1nccn1CC(=O)N1CC[C@H]2OCc3cccc(c3)Oc3cc(ccc3OC)CCC(=O)N[C@H]2C1	ZINC000952855799	1059582325	/nfs/dbraw/zinc/58/23/25/1059582325.db2.gz	AOKGWTNUOVMJCQ-BJKOFHAPSA-N	0	0	518.614	3.495	50	0		KGAARN
CCc1ccc2occ(CC(=O)N3CCCCN(C)C(=O)[C@H](C)NC(=O)COc4cc(O)cc(c4)C(=O)NCCC3)c2c1	ZINC000952855810	1059582220	/nfs/dbraw/zinc/58/22/20/1059582220.db2.gz	CXJQYAIUSHARHP-NRFANRHFSA-N	0	0	592.693	3.028	50	0		KGAARN
Cc1cc(C)n(CCC(=O)N2CC[C@H]3OCc4cccc(c4)Oc4cccc(c4)CCC(=O)N(C)CC(=O)N[C@H]3C2)n1	ZINC000952855821	1059582307	/nfs/dbraw/zinc/58/23/07/1059582307.db2.gz	DRRAXLNERHGRQX-URLMMPGGSA-N	0	0	573.694	3.389	50	0		KGAARN
Cc1ccc2cc1Oc1cccc(c1)CO[C@H]1CN(C(=O)c3cnc(C)c(C)c3)C[C@@H]1NC(=O)CN(C)C2=O	ZINC000952855844	1059582359	/nfs/dbraw/zinc/58/23/59/1059582359.db2.gz	HGHNIPWOCKMXBF-BDYUSTAISA-N	0	0	528.609	3.411	50	0		KGAARN
COc1ccc2cc1Oc1cccc(c1)CO[C@H]1CN(Cc3cnn4c3nc(C)cc4C)C[C@@H]1NC(=O)CN(C)C2	ZINC000952855855	1059582201	/nfs/dbraw/zinc/58/22/01/1059582201.db2.gz	IAATUMZLUYWWBB-WNJJXGMVSA-N	0	0	556.667	3.478	50	0		KGAARN
CCOc1cc2cc(c1)C(=O)N(C)CC(=O)N[C@H]1CN(C(=O)CCc3c(C)nc(=O)[nH]c3C)CC[C@H]1OCc1cccc(c1)O2	ZINC000952855857	1059582288	/nfs/dbraw/zinc/58/22/88/1059582288.db2.gz	IGMMPWHHFHVTAO-URLMMPGGSA-N	0	0	617.703	3.311	50	0		KGAARN
Cc1noc(C)c1CC(=O)N1CC[C@H]2OCc3cccc(c3)Oc3cccc(c3)CCC(=O)N(C)CC(=O)N[C@H]2C1	ZINC000952855868	1059582753	/nfs/dbraw/zinc/58/27/53/1059582753.db2.gz	JLTAKJVZMZQBQD-WUFINQPMSA-N	0	0	560.651	3.333	50	0		KGAARN
CCc1ccc(C(=O)N2CC[C@@H]3NC(=O)NCCNC(=O)c4cc(OCCOC)cc(c4)Oc4cccc(c4)CO[C@H]3C2)[nH]1	ZINC000952855872	1059582820	/nfs/dbraw/zinc/58/28/20/1059582820.db2.gz	KHPBRKKWYGGKFU-YTMVLYRLSA-N	0	0	605.692	3.237	50	0		KGAARN
COc1ccc2cc1OCCn1cc(nn1)CO[C@H]1CN(C(=O)c3cc(C(C)C)cc(C(C)C)c3O)C[C@@H]1NC2=O	ZINC000952855881	1059582880	/nfs/dbraw/zinc/58/28/80/1059582880.db2.gz	LEMZCLWZLHYYOB-IGKIAQTJSA-N	0	0	563.655	3.471	50	0		KGAARN
COc1cc2ccc1Oc1cccc(c1)CO[C@H]1CN(C(=O)Cc3cc(C)no3)C[C@@H]1NC(=O)CN(C1CC1)C(=O)CC2	ZINC000952855886	1059582735	/nfs/dbraw/zinc/58/27/35/1059582735.db2.gz	LRQSJBCYLWPSJR-WNJJXGMVSA-N	0	0	588.661	3.176	50	0		KGAARN
CCN1CC(=O)N[C@H]2CN(C(=O)c3cnc4ccnn4c3C)CC[C@@H]2OCc2cccc(c2)Oc2cccc(c2)CC1=O	ZINC000952855927	1059582923	/nfs/dbraw/zinc/58/29/23/1059582923.db2.gz	SNVSLEXJLRBEBX-NSOVKSMOSA-N	0	0	582.661	3.151	50	0		KGAARN
O=C1CN(C2CC2)Cc2cccc(c2)Oc2cccc(c2)CO[C@H]2CN(C(=O)Cc3cccnc3)C[C@@H]2N1	ZINC000952855935	1059582901	/nfs/dbraw/zinc/58/29/01/1059582901.db2.gz	UGBXULJPZTZWLA-NSOVKSMOSA-N	0	0	512.610	3.307	50	0		KGAARN
COCCCN1CC(=O)N[C@H]2CN(C(=O)CSC)CC[C@H]2OCc2cccc(c2)Oc2ccc(cc2OC)CCC1=O	ZINC000952855936	1059582797	/nfs/dbraw/zinc/58/27/97/1059582797.db2.gz	UGSFTUHBCZAVAU-IZZNHLLZSA-N	0	0	599.750	3.264	50	0		KGAARN
Cc1[nH]c2ccccc2c1CC(=O)N1C[C@@H]2NC(=O)c3ccc(Cl)c(c3)OCCCn3cc(nn3)CO[C@H]2C1	ZINC000952855943	1059582838	/nfs/dbraw/zinc/58/28/38/1059582838.db2.gz	UWWAHNATXJBFIH-AHWVRZQESA-N	0	0	549.031	3.272	50	0		KGAARN
Cc1ocnc1C(=O)N1CC[C@@]23c4ccccc4N(Cc4cn(nn4)CCCOc4cccc(c4)[C@H]12)C3=O	ZINC000952855955	1059582775	/nfs/dbraw/zinc/58/27/75/1059582775.db2.gz	WARLRONBKGKUJU-LBNVMWSVSA-N	0	0	510.554	3.429	50	0		KGAARN
COc1ccc2cc1Oc1cccc(c1)CO[C@@H]1CCN(C(=O)c3nnc4n3CCCC4)C[C@@H]1NC(=O)CC2	ZINC000952855959	1059582859	/nfs/dbraw/zinc/58/28/59/1059582859.db2.gz	WFDMLVRHKPLSPZ-XZOQPEGZSA-N	0	0	531.613	3.278	50	0		KGAARN
COCCOc1cc2cc(c1)C(=O)NCCNC(=O)N[C@H]1CCN(C(=O)COc3ccc(C)cc3)C[C@@H]1OCc1cccc(c1)O2	ZINC000952855977	1059583474	/nfs/dbraw/zinc/58/34/74/1059583474.db2.gz	YHRLSIXEOYJXNO-CONSDPRKSA-N	0	0	632.714	3.420	50	0		KGAARN
O=C(CN1CCc2ccccc2C1)N1CC[C@@H]2OCc3cccc(c3)Oc3cncc(c3)C(=O)NCCCC(=O)N[C@H]2C1	ZINC000952855978	1059583522	/nfs/dbraw/zinc/58/35/22/1059583522.db2.gz	YJIJCKDKUZHBGL-KYJUHHDHSA-N	0	0	583.689	3.058	50	0		KGAARN
COc1ccc2cc1Oc1cccc(c1)CO[C@@H]1CCN(C(=O)CNS(=O)(=O)c3cccs3)C[C@@H]1NC(=O)CC2	ZINC000952855981	1059583457	/nfs/dbraw/zinc/58/34/57/1059583457.db2.gz	YRLVEGPFHAFANM-XZOQPEGZSA-N	0	0	585.704	3.076	50	0		KGAARN
CCOc1ncccc1C(=O)N1CC[C@@H]2NC(=O)NCCNC(=O)c3cc(OCCOC)cc(c3)Oc3cccc(c3)CO[C@H]2C1	ZINC000952856006	1059583574	/nfs/dbraw/zinc/58/35/74/1059583574.db2.gz	APROXFNYARGHRQ-VMPREFPWSA-N	0	0	633.702	3.140	50	0		KGAARN
O=C1CCNC(=O)c2cc(OCC3CC3)cc(c2)Oc2cccc(c2)CO[C@@H]2CCN(c3ncnc4nc[nH]c43)C[C@@H]2N1	ZINC000952856007	1059583293	/nfs/dbraw/zinc/58/32/93/1059583293.db2.gz	ATFJEPTVASOBIL-IZZNHLLZSA-N	0	0	583.649	3.348	50	0		KGAARN
COc1cc2ccc1OCC(=O)N[C@@H](C)C(=O)N(C)CCCCN(C(=O)CSCc1ccccc1Cl)CCCNC2=O	ZINC000952856011	1059583372	/nfs/dbraw/zinc/58/33/72/1059583372.db2.gz	BGYPJYACXSSFCE-NRFANRHFSA-N	0	0	619.184	3.366	50	0		KGAARN
CCc1nccn1CCC(=O)N1CC[C@H]2OCc3cccc(c3)Oc3cc(ccc3C)C(=O)N(C)CC(=O)N[C@H]2C1	ZINC000952856013	1059583396	/nfs/dbraw/zinc/58/33/96/1059583396.db2.gz	BHYICAZQZYKGHX-IZZNHLLZSA-N	0	0	559.667	3.324	50	0		KGAARN
Cc1cc(C(=O)N2CC[C@H]3OCc4cccc(c4)Oc4cccc(c4)CCC(=O)N(C)CC(=O)N[C@H]3C2)no1	ZINC000952856023	1059583437	/nfs/dbraw/zinc/58/34/37/1059583437.db2.gz	CFNZRKYYENWYHD-IZZNHLLZSA-N	0	0	532.597	3.096	50	0		KGAARN
COc1cc2ccc1Oc1cccc(c1)CO[C@H]1CN(c3ncccn3)C[C@@H]1NC(=O)CN(C1CC1)C(=O)CC2	ZINC000952856033	1059584177	/nfs/dbraw/zinc/58/41/77/1059584177.db2.gz	DBENBFJQKXFKBE-IGKIAQTJSA-N	0	0	543.624	3.105	50	0		KGAARN
COCCOc1cc2cc(c1)C(=O)NCCNC(=O)N[C@H]1CCN(C(=O)Cc3csc(C)n3)C[C@@H]1OCc1cccc(c1)O2	ZINC000952856061	1059583980	/nfs/dbraw/zinc/58/39/80/1059583980.db2.gz	FZOPXWJQJZUITJ-NSOVKSMOSA-N	0	0	623.732	3.040	50	0		KGAARN
CCN1CC(=O)N[C@H]2CN(C(=O)c3n[nH]c4c3CCC4)CC[C@@H]2OCc2cccc(c2)Oc2cccc(c2)CC1=O	ZINC000952856080	1059584109	/nfs/dbraw/zinc/58/41/09/1059584109.db2.gz	IESQFECYMPFZLT-SVBPBHIXSA-N	0	0	557.651	3.011	50	0		KGAARN
COc1cc2cc(c1)C(=O)NCCCC(=O)N[C@H]1CN(Cc3cccnc3N)CC[C@@H]1OCc1cccc(c1)O2	ZINC000952856094	1059584002	/nfs/dbraw/zinc/58/40/02/1059584002.db2.gz	IYMXMSQMPIHPDD-SVBPBHIXSA-N	0	0	545.640	3.264	50	0		KGAARN
Cc1n[nH]c(C)c1CC(=O)N1CC[C@H]2OCc3cccc(c3)Oc3cccc(c3)CCC(=O)N(C)CC(=O)N[C@H]2C1	ZINC000952856118	1059584090	/nfs/dbraw/zinc/58/40/90/1059584090.db2.gz	LBSLEBBQIOWRAR-WUFINQPMSA-N	0	0	559.667	3.068	50	0		KGAARN
O=C1N[C@@H](C2CCCCC2)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCc2cn(nn2)CCOc2ccc(Cl)cc21	ZINC000952856125	1059584194	/nfs/dbraw/zinc/58/41/94/1059584194.db2.gz	LYFOGGKKWXJECT-AHWVRZQESA-N	0	0	565.074	3.047	50	0		KGAARN
Cc1cc(CC(=O)N2CC[C@H]3OCc4cccc(c4)Oc4cccc(c4)CCC(=O)N(C)CC(=O)N[C@H]3C2)on1	ZINC000952856140	1059584055	/nfs/dbraw/zinc/58/40/55/1059584055.db2.gz	MZBNPARKZOXIIP-RRPNLBNLSA-N	0	0	546.624	3.025	50	0		KGAARN
COc1ccc2cc1OCC(=O)N[C@@H](C)C(=O)N(C)CCCCN(C(=O)c1ccc(Cl)s1)CCCNC(=O)CC2	ZINC000952856185	1059584159	/nfs/dbraw/zinc/58/41/59/1059584159.db2.gz	QZJOHDAXFDRZIM-IBGZPJMESA-N	0	0	593.146	3.127	50	0		KGAARN
COc1ccc2cc1OCc1cn(nn1)CCCN(C(=O)c1c(C)onc1-c1ccccc1)CCCCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](CC(C)C)NC2=O	ZINC000952856187	1059584127	/nfs/dbraw/zinc/58/41/27/1059584127.db2.gz	REUYMGKWZUSWSF-DFLRLQOUSA-N	0	0	758.877	3.282	50	0		KGAARN
Cc1ccc2cc1Oc1cccc(c1)CO[C@H]1CN(c3nccnc3N3CCCC3)C[C@@H]1NC(=O)CN(C)C2=O	ZINC000952856202	1059584612	/nfs/dbraw/zinc/58/46/12/1059584612.db2.gz	AHOXCPJXGVUNBM-AHWVRZQESA-N	0	0	542.640	3.153	50	0		KGAARN
Cc1ccc2cc1Oc1cccc(c1)CO[C@@H]1CCN(C(=O)CCCc3cn[nH]c3)C[C@@H]1NC(=O)CN(C)C2=O	ZINC000952856205	1059584653	/nfs/dbraw/zinc/58/46/53/1059584653.db2.gz	AJFXPWZKBFOXEW-IZZNHLLZSA-N	0	0	545.640	3.221	50	0		KGAARN
Cc1ccc2cc1Oc1cccc(c1)CO[C@@H]1CCN(C(=O)c3ccncc3)C[C@@H]1NC(=O)CN(C)C2=O	ZINC000952856211	1059584636	/nfs/dbraw/zinc/58/46/36/1059584636.db2.gz	ARCGWJANLXPSDP-LOSJGSFVSA-N	0	0	514.582	3.184	50	0		KGAARN
CCN1CC(=O)N[C@H]2CN(C(=O)CCc3c(C)nc(=O)[nH]c3C)CC[C@@H]2OCc2cccc(c2)Oc2cccc(c2)CC1=O	ZINC000952856236	1059584691	/nfs/dbraw/zinc/58/46/91/1059584691.db2.gz	TXHBJCKICFFDDB-VMPREFPWSA-N	0	0	601.704	3.231	50	0		KGAARN
CN1CC(=O)N[C@H]2CN(C(=O)CC3CC3)CC[C@H]2OCc2cccc(c2)Oc2cccc(c2)CCC1=O	ZINC000952856241	1059584804	/nfs/dbraw/zinc/58/48/04/1059584804.db2.gz	UKBOCNVSDLGAIP-IZZNHLLZSA-N	0	0	505.615	3.286	50	0		KGAARN
CC(C)COc1cc2cc(c1)C(=O)NCC(=O)N1CCN(C(=O)c3cc(-c4ccccn4)n[nH]3)C[C@@H]1C(=O)NCCc1cccc(c1)O2	ZINC000952856248	1059584668	/nfs/dbraw/zinc/58/46/68/1059584668.db2.gz	CEBRZPDQWRZZGL-WJOKGBTCSA-N	0	0	651.724	3.054	50	0		KGAARN
Cn1ccn2ncc(C(=O)N3CC[C@H]4OCc5cccc(c5)Oc5cc(OCC6CC6)cc(c5)C(=O)NCCC(=O)N[C@H]4C3)c12	ZINC000952856265	1059584730	/nfs/dbraw/zinc/58/47/30/1059584730.db2.gz	VIXFBZPWUBEWFL-URLMMPGGSA-N	0	0	612.687	3.304	50	0		KGAARN
COCCOc1cc2cc(c1)C(=O)NCCNC(=O)N[C@H]1CCN(C(=O)c3ccc(OC)cc3OC)C[C@@H]1OCc1cccc(c1)O2	ZINC000952856270	1059584780	/nfs/dbraw/zinc/58/47/80/1059584780.db2.gz	VLIKTHJWHXTLOO-SMCANUKXSA-N	0	0	648.713	3.364	50	0		KGAARN
CCN1CC(=O)N[C@H]2CN(C(=O)CCCn3cccn3)CC[C@@H]2OCc2cccc(c2)Oc2cccc(c2)CC1=O	ZINC000952856286	1059584709	/nfs/dbraw/zinc/58/47/09/1059584709.db2.gz	WNWJYGFGXUXCMN-NSOVKSMOSA-N	0	0	559.667	3.163	50	0		KGAARN
O=C(c1ccnc2ccccc21)N1CCC2(Cc3cn(nn3)CCCOc3ccc(cc3)CCNC2=O)CC1	ZINC000952856301	1059585355	/nfs/dbraw/zinc/58/53/55/1059585355.db2.gz	DNHVBZLAJOGZJD-UHFFFAOYSA-N	0	0	524.625	3.433	50	0		KGAARN
CCOc1cc2cc(c1)C(=O)N(C)CC(=O)N[C@H]1CN(Cc3[nH]cnc3C)CC[C@H]1OCc1cccc(c1)O2	ZINC000952856325	1059585211	/nfs/dbraw/zinc/58/52/11/1059585211.db2.gz	YOVJKZARUGHSLU-RRPNLBNLSA-N	0	0	533.629	3.271	50	0		KGAARN
COc1cc2ccc1OCC(=O)N[C@@H](C)C(=O)N(C)CCCCN(C(=O)CCCCc1ccccc1)CCCNC2=O	ZINC000952856339	1059585279	/nfs/dbraw/zinc/58/52/79/1059585279.db2.gz	FPGGGRSGTYMOJK-DEOSSOPVSA-N	0	0	580.726	3.192	50	0		KGAARN
COCCOc1cc2cc(c1)C(=O)NCCNC(=O)N[C@H]1CCN(C(=O)c3ccc4c(c3)OCCO4)C[C@@H]1OCc1cccc(c1)O2	ZINC000952856355	1059585195	/nfs/dbraw/zinc/58/51/95/1059585195.db2.gz	GAGQVASJNAUJKI-IZEXYCQBSA-N	0	0	646.697	3.118	50	0		KGAARN
COc1ccc2cc1Oc1cccc(c1)CO[C@H]1CN(C(=O)CCn3c4cc(C)ccc4oc3=O)C[C@@H]1NC(=O)CN(C)C2	ZINC000952856368	1059585341	/nfs/dbraw/zinc/58/53/41/1059585341.db2.gz	GMWODTFKGDBZRC-QCDSWUKFSA-N	0	0	600.672	3.452	50	0		KGAARN
CCOc1cc2cc(c1)C(=O)N(C)CC(=O)N[C@H]1CN(C(=O)Cn3c4ccccc4oc3=O)CC[C@H]1OCc1cccc(c1)O2	ZINC000952856371	1059585367	/nfs/dbraw/zinc/58/53/67/1059585367.db2.gz	GSXIPBVIWYRJRR-XTEPFMGCSA-N	0	0	614.655	3.174	50	0		KGAARN
CCN1CC(=O)N[C@H]2CN(C(=O)c3cc(C)nc(C)n3)CC[C@@H]2OCc2cccc(c2)Oc2cccc(c2)CC1=O	ZINC000952856385	1059585312	/nfs/dbraw/zinc/58/53/12/1059585312.db2.gz	AUFFZMATESPRPJ-NSOVKSMOSA-N	0	0	557.651	3.206	50	0		KGAARN
Cc1cc(C(=O)N2CC[C@@]34c5ccccc5N(Cc5cn(nn5)CCCOc5cccc(c5)[C@H]23)C4=O)on1	ZINC000952856409	1059585326	/nfs/dbraw/zinc/58/53/26/1059585326.db2.gz	CSBYYSXAEQCWAW-LBNVMWSVSA-N	0	0	510.554	3.429	50	0		KGAARN
Cc1cc(C(=O)N2CC[C@@H]3OCc4cccc(c4)Oc4cncc(c4)C(=O)NCCCC(=O)N[C@H]3C2)cc(C)n1	ZINC000952856415	1059585296	/nfs/dbraw/zinc/58/52/96/1059585296.db2.gz	DKRUVFWQYXLVDO-SVBPBHIXSA-N	0	0	543.624	3.325	50	0		KGAARN
COCCN1CC(=O)N[C@H]2CN(Cc3[nH]nc(C)c3Cl)C[C@@H]2OCc2cccc(c2)Oc2cc(ccc2OC)CCC1=O	ZINC000952856433	1059585251	/nfs/dbraw/zinc/58/52/51/1059585251.db2.gz	HRNFVIDWKHVDJZ-CUBQBAPOSA-N	0	0	612.127	3.479	50	0		KGAARN
COCCCN1CC(=O)N[C@H]2CN(C(=O)c3cnccn3)CC[C@H]2OCc2cccc(c2)Oc2ccc(cc2OC)CCC1=O	ZINC000952856435	1059585784	/nfs/dbraw/zinc/58/57/84/1059585784.db2.gz	FPHJRVRMUYVOAV-WUFINQPMSA-N	0	0	617.703	3.005	50	0		KGAARN
CC(C)c1cc(C(=O)N2CC[C@H]3OCc4cccc(c4)Oc4cccc(c4)CCC(=O)N(C)CC(=O)N[C@H]3C2)nc(N)n1	ZINC000952856444	1059585738	/nfs/dbraw/zinc/58/57/38/1059585738.db2.gz	FWWFYMYQIJKHQD-WUFINQPMSA-N	0	0	586.693	3.295	50	0		KGAARN
COCCOc1cc2cc(c1)C(=O)NCCNC(=O)N[C@H]1CCN(C(=O)c3cccn3C3CC3)C[C@@H]1OCc1cccc(c1)O2	ZINC000952856455	1059585806	/nfs/dbraw/zinc/58/58/06/1059585806.db2.gz	IUNDFRKSFRNDDL-JDXGNMNLSA-N	0	0	617.703	3.483	50	0		KGAARN
O=C(c1cnn(Cc2ccccc2)c1)N1CCC2(Cc3cn(nn3)CCCOc3ccc(cc3)CCNC2=O)CC1	ZINC000952856473	1059585831	/nfs/dbraw/zinc/58/58/31/1059585831.db2.gz	GZXLQNQQLJGTEE-UHFFFAOYSA-N	0	0	553.667	3.129	50	0		KGAARN
COCCN1CC(=O)N[C@H]2CN(Cc3cscn3)C[C@@H]2OCc2cccc(c2)Oc2cc(ccc2OC)CCC1=O	ZINC000952856476	1059585718	/nfs/dbraw/zinc/58/57/18/1059585718.db2.gz	JGSIJMOOOLWQKJ-LSYYVWMOSA-N	0	0	580.707	3.251	50	0		KGAARN
Cc1ccc2cc1Oc1cccc(c1)CO[C@H]1CN(C(=O)CSCC3CC3)C[C@@H]1NC(=O)CN(C)C2=O	ZINC000952856478	1059585856	/nfs/dbraw/zinc/58/58/56/1059585856.db2.gz	JIYAZKWAEGUQCR-ZCYQVOJMSA-N	0	0	523.655	3.228	50	0		KGAARN
COc1ccc2cc1OCCn1cc(nn1)CO[C@H]1CN(C(=O)C3CCN(C(=O)c4ccc(C(C)(C)C)cc4)CC3)C[C@@H]1NC2=O	ZINC000952856481	1059586562	/nfs/dbraw/zinc/58/65/62/1059586562.db2.gz	HBHSBZBIFAEUSE-FIBWVYCGSA-N	0	0	630.746	3.055	50	0		KGAARN
CCn1c(C)cc(C)c(C(=O)N2C[C@@H]3NC(=O)CN(C)C(=O)c4ccc(C)c(c4)Oc4cccc(c4)CO[C@H]3C2)c1=O	ZINC000952856495	1059586403	/nfs/dbraw/zinc/58/64/03/1059586403.db2.gz	JXBOVEPRJCPTBD-BDYUSTAISA-N	0	0	572.662	3.197	50	0		KGAARN
COCCOc1cc2cc(c1)C(=O)NCCNC(=O)N[C@H]1CCN(C(=O)c3cc(C(C)C)on3)C[C@@H]1OCc1cccc(c1)O2	ZINC000952856511	1059586378	/nfs/dbraw/zinc/58/63/78/1059586378.db2.gz	KIQURKYNUPMQRH-WNJJXGMVSA-N	0	0	621.691	3.458	50	0		KGAARN
CC(C)C[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2cccc(c2)Oc2ccc(cc2)C[C@@H](C(=O)N(C)Cc2cnc(N)nc2)NC1=O	ZINC000952856515	1059586306	/nfs/dbraw/zinc/58/63/06/1059586306.db2.gz	KRBCBFYSRMGBTR-QAXCHELISA-N	0	0	663.779	3.423	50	0		KGAARN
COCCN1CC(=O)N[C@H]2CN(c3ncnc4[nH]ccc43)C[C@@H]2OCc2cccc(c2)Oc2cc(ccc2OC)CCC1=O	ZINC000952856552	1059586247	/nfs/dbraw/zinc/58/62/47/1059586247.db2.gz	MONMWCHDQFQIBD-LSYYVWMOSA-N	0	0	600.676	3.070	50	0		KGAARN
CC(C)c1cc(C(=O)N2CC[C@@]34c5ccccc5N(CC(=O)NCCCOc5cccc(c5)[C@H]23)C4=O)n(C)n1	ZINC000952856583	1059586429	/nfs/dbraw/zinc/58/64/29/1059586429.db2.gz	AELANYMJPIBBCH-BHBYDHKZSA-N	0	0	527.625	3.314	50	0		KGAARN
CS(=O)(=O)NCCC(=O)N1CCc2cc3ccc2[C@H]1c1cccc(c1)OCCCNC(=O)c1cc(ccc1O)O3	ZINC000952856600	1059586333	/nfs/dbraw/zinc/58/63/33/1059586333.db2.gz	BWSIXPXLIOBAEN-MUUNZHRXSA-N	0	0	565.648	3.110	50	0		KGAARN
COCCN1CC(=O)N[C@H]2CN(Cc3ccccn3)C[C@@H]2OCc2cccc(c2)Oc2cc(ccc2OC)CCC1=O	ZINC000952856605	1059586449	/nfs/dbraw/zinc/58/64/49/1059586449.db2.gz	CBSILBPXHIGNMY-FIBWVYCGSA-N	0	0	574.678	3.190	50	0		KGAARN
Cc1ccc2cc1Oc1cccc(c1)CO[C@@H]1CCN(C(=O)c3n[nH]c4c3CCCC4)C[C@@H]1NC(=O)CN(C)C2=O	ZINC000952856621	1059587113	/nfs/dbraw/zinc/58/71/13/1059587113.db2.gz	JTZCCOONWGPJNG-IZZNHLLZSA-N	0	0	557.651	3.391	50	0		KGAARN
COCCOc1cc2cc(c1)C(=O)NCCNC(=O)N[C@H]1CCN(C(=O)c3ccc(OC)cc3F)C[C@@H]1OCc1cccc(c1)O2	ZINC000952856635	1059586936	/nfs/dbraw/zinc/58/69/36/1059586936.db2.gz	AMTXZNWZKOTGBT-KYJUHHDHSA-N	0	0	636.677	3.494	50	0		KGAARN
Cc1cc(C(=O)N2CC[C@H]3OCc4cccc(c4)Oc4cc(ccc4C)C(=O)N(C)CC(=O)N[C@H]3C2)nc(C)n1	ZINC000952856636	1059587129	/nfs/dbraw/zinc/58/71/29/1059587129.db2.gz	DXPBYHPAUNJJIZ-IZZNHLLZSA-N	0	0	543.624	3.196	50	0		KGAARN
CCN1CC(=O)N[C@H]2CN(C(=O)CCOC)CC[C@@H]2OCc2cccc(c2)Oc2cc(OC(C)C)cc(c2)C1=O	ZINC000952856680	1059587026	/nfs/dbraw/zinc/58/70/26/1059587026.db2.gz	CEESNYAKPCHULQ-SVBPBHIXSA-N	0	0	553.656	3.381	50	0		KGAARN
CCOc1cc2cc(c1)C(=O)N(C)CC(=O)N[C@H]1CN(C(=O)c3cc4c([nH]c3=O)CCC4)CC[C@H]1OCc1cccc(c1)O2	ZINC000952856687	1059586987	/nfs/dbraw/zinc/58/69/87/1059586987.db2.gz	CMUURIOOJBBJOM-URLMMPGGSA-N	0	0	600.672	3.469	50	0		KGAARN
COc1ccc2cc1OCc1cn(nn1)CCCN(C(=O)c1ccc(Cl)c(C)c1)CCCCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](CC(C)C)NC2=O	ZINC000952856693	1059586969	/nfs/dbraw/zinc/58/69/69/1059586969.db2.gz	CWFYDWIWGONQCF-UIMUBZIISA-N	0	0	726.275	3.280	50	0		KGAARN
COCCN1CC(=O)N[C@H]2CN(Cc3nc4c(s3)CCCC4)C[C@@H]2OCc2cccc(c2)Oc2cncc(c2)C1=O	ZINC000952856736	1059587006	/nfs/dbraw/zinc/58/70/06/1059587006.db2.gz	AQFCMHLAJYWYQQ-UIOOFZCWSA-N	0	0	577.707	3.197	50	0		KGAARN
Cc1cc(C(=O)N2CC[C@H]3OCc4cccc(c4)Oc4cccc(c4)CCC(=O)N(C)CC(=O)N[C@H]3C2)cc(S(N)(=O)=O)c1C	ZINC000952856744	1059587047	/nfs/dbraw/zinc/58/70/47/1059587047.db2.gz	LMIQNSUURUXMMD-URLMMPGGSA-N	0	0	634.755	3.064	50	0		KGAARN
CN1CC(=O)N[C@H]2CN(C(=O)c3ccoc3)CC[C@H]2OCc2cccc(c2)Oc2cccc(c2)CCC1=O	ZINC000952856750	1059587729	/nfs/dbraw/zinc/58/77/29/1059587729.db2.gz	BAYALIASAKKGEB-IZZNHLLZSA-N	0	0	517.582	3.393	50	0		KGAARN
COc1ccc2cc1OCCn1cc(nn1)CO[C@H]1CN(C(=O)c3ccc(CSc4ccccc4)o3)C[C@@H]1NC2=O	ZINC000952856759	1059587592	/nfs/dbraw/zinc/58/75/92/1059587592.db2.gz	GNSKMHBGCAOKKV-HOFKKMOUSA-N	0	0	575.647	3.404	50	0		KGAARN
COCCCN1CC(=O)N[C@H]2CN(C(=O)c3ccc[nH]c3=O)CC[C@H]2OCc2cccc(c2)Oc2ccc(cc2OC)CCC1=O	ZINC000952856761	1059587706	/nfs/dbraw/zinc/58/77/06/1059587706.db2.gz	LTZRRMZEVZCVCJ-WUFINQPMSA-N	0	0	632.714	3.316	50	0		KGAARN
COCCN1CC(=O)N[C@H]2CN(Cc3ccccc3Cn3cccn3)C[C@@H]2OCc2cccc(c2)Oc2cncc(c2)C1=O	ZINC000952856780	1059587527	/nfs/dbraw/zinc/58/75/27/1059587527.db2.gz	MBEYEJHULPXUFG-CONSDPRKSA-N	0	0	596.688	3.107	50	0		KGAARN
COCCCN1CC(=O)N[C@H]2CN(C(=O)c3ccc(N)nc3)CC[C@H]2OCc2cccc(c2)Oc2ccc(cc2OC)CCC1=O	ZINC000952856782	1059587642	/nfs/dbraw/zinc/58/76/42/1059587642.db2.gz	QVSQUWBXFAIKPH-WUFINQPMSA-N	0	0	631.730	3.192	50	0		KGAARN
COc1ccc2cc1Oc1cccc(c1)CO[C@H]1CCN(C(=O)Cc3ccc(C)cc3)C[C@@H]1NC(=O)CN(CCCO)C2=O	ZINC000952856798	1059587618	/nfs/dbraw/zinc/58/76/18/1059587618.db2.gz	RHLCEMNESHTLLH-VMPREFPWSA-N	0	0	601.700	3.479	50	0		KGAARN
CCN1CC(=O)N[C@H]2CN(C(=O)c3cscn3)CC[C@@H]2OCc2cccc(c2)Oc2cccc(c2)CC1=O	ZINC000952856811	1059588370	/nfs/dbraw/zinc/58/83/70/1059588370.db2.gz	MRWGQGINVGCKKZ-ZCYQVOJMSA-N	0	0	534.638	3.256	50	0		KGAARN
CN(CC(=O)N1CC[C@H]2OCc3cccc(c3)Oc3cccc(c3)CCC(=O)N(C)CC(=O)N[C@H]2C1)Cc1ccncc1	ZINC000952856816	1059588332	/nfs/dbraw/zinc/58/83/32/1059588332.db2.gz	GARJDDYRXQQSGG-XZWHSSHBSA-N	0	0	585.705	3.013	50	0		KGAARN
COc1cc2cc(c1)C(=O)NCCCC(=O)N[C@H]1CN(C(=O)CCCN3CCCC3=O)CC[C@@H]1OCc1cccc(c1)O2	ZINC000952856817	1059588320	/nfs/dbraw/zinc/58/83/20/1059588320.db2.gz	HHWSAWBYIDOKNW-NSOVKSMOSA-N	0	0	592.693	3.016	50	0		KGAARN
COCCOc1cc2cc(c1)C(=O)NCCNC(=O)N[C@H]1CCN(Cc3c(C)n[nH]c3C)C[C@@H]1OCc1cccc(c1)O2	ZINC000952856819	1059588215	/nfs/dbraw/zinc/58/82/15/1059588215.db2.gz	SFFARBIIHWHHNJ-VMPREFPWSA-N	0	0	592.697	3.046	50	0		KGAARN
CCN1CC(=O)N[C@H]2CN(C(=O)c3ccccn3)CC[C@@H]2OCc2cccc(c2)Oc2cccc(c2)CC1=O	ZINC000952856823	1059588124	/nfs/dbraw/zinc/58/81/24/1059588124.db2.gz	BREGKSRSGBBYHZ-SVBPBHIXSA-N	0	0	528.609	3.195	50	0		KGAARN
COc1cc2cc(c1)C(=O)NCCCC(=O)N[C@H]1CN(C(=O)CC3CC3)CC[C@@H]1OCc1cccc(c1)O2	ZINC000952856828	1059588271	/nfs/dbraw/zinc/58/82/71/1059588271.db2.gz	BVQJIXYQCGYXTK-UIOOFZCWSA-N	0	0	521.614	3.414	50	0		KGAARN
COc1ccc2cc1Oc1cccc(c1)CO[C@H]1CCN(Cc3cncn3C(C)C)C[C@@H]1NC(=O)CN(CCCO)C2=O	ZINC000952856833	1059588148	/nfs/dbraw/zinc/58/81/48/1059588148.db2.gz	MXHKRAMAOQXIII-NSOVKSMOSA-N	0	0	591.709	3.379	50	0		KGAARN
COc1ccc2cc1OCCn1cc(nn1)CO[C@H]1CN(Cc3cc(C(F)(F)F)ccc3F)C[C@@H]1NC2=O	ZINC000952856840	1059588290	/nfs/dbraw/zinc/58/82/90/1059588290.db2.gz	BZEAEEWUKZFJGV-REWPJTCUSA-N	0	0	535.498	3.037	50	0		KGAARN
CC(=O)N1CCN(C(=O)[C@@H]2Cc3ccc(cc3)Oc3cccc(c3)C(=O)N[C@H](Cc3ccccc3)C(=O)N[C@@H](CC(C)C)C(=O)N2)CC1	ZINC000952856842	1059588198	/nfs/dbraw/zinc/58/81/98/1059588198.db2.gz	NIKKHXYGFOUVJX-DSPMFFIESA-N	0	0	653.780	3.083	50	0		KGAARN
COc1cccc2c1OCCCn1cc(nn1)CCN(C(=O)c1ccc(C(C)C)[nH]c1=O)CCNC(=O)[C@H](Cc1ccccc1)NC2=O	ZINC000952856849	1059588529	/nfs/dbraw/zinc/58/85/29/1059588529.db2.gz	HUWGEMCZGTWVNE-LJAQVGFWSA-N	0	0	655.756	3.136	50	0		KGAARN
CCN1CC(=O)N[C@H]2CN(C(=O)c3cc(C4CC4)n[nH]3)CC[C@@H]2OCc2cccc(c2)Oc2cccc(c2)CC1=O	ZINC000952856850	1059588750	/nfs/dbraw/zinc/58/87/50/1059588750.db2.gz	SQCHFTREVCSDAC-NSOVKSMOSA-N	0	0	557.651	3.400	50	0		KGAARN
COCCOc1cc2cc(c1)C(=O)NCCNC(=O)N[C@H]1CCN(C(=O)c3c(C)[nH]nc3C3CC3)C[C@@H]1OCc1cccc(c1)O2	ZINC000952856879	1059588646	/nfs/dbraw/zinc/58/86/46/1059588646.db2.gz	IFITUNYSTSKXLW-NSOVKSMOSA-N	0	0	632.718	3.256	50	0		KGAARN
Cc1cc(CN2CC[C@H]3OCc4cccc(c4)Oc4cc(ccc4C)C(=O)N(C)CC(=O)N[C@H]3C2)[nH]n1	ZINC000952856885	1059588786	/nfs/dbraw/zinc/58/87/86/1059588786.db2.gz	IWCNQEUYVALQMG-LOSJGSFVSA-N	0	0	503.603	3.180	50	0		KGAARN
COCCCN1CC(=O)N[C@H]2CN(C(=O)c3ccc(=O)[nH]c3)CC[C@H]2OCc2cccc(c2)Oc2ccc(cc2OC)CCC1=O	ZINC000952856891	1059588916	/nfs/dbraw/zinc/58/89/16/1059588916.db2.gz	CSZHFZUBAPRKAK-WUFINQPMSA-N	0	0	632.714	3.316	50	0		KGAARN
COCCCN1CC(=O)N[C@H]2CN(Cc3c[nH]cn3)CC[C@H]2OCc2cccc(c2)Oc2ccc(cc2OC)CCC1=O	ZINC000952856901	1059588554	/nfs/dbraw/zinc/58/85/54/1059588554.db2.gz	ILBFNGKHYMAWNZ-WUFINQPMSA-N	0	0	591.709	3.298	50	0		KGAARN
Cc1nc[nH]c1CN1CC[C@H]2OCc3cccc(c3)Oc3cc(ccc3C)C(=O)N(C)CC(=O)N[C@H]2C1	ZINC000952856905	1059588866	/nfs/dbraw/zinc/58/88/66/1059588866.db2.gz	IRRMETTVUKMISL-LOSJGSFVSA-N	0	0	503.603	3.180	50	0		KGAARN
CC(C)C[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2cccc(c2)Oc2ccc(cc2)C[C@@H](C(=O)N(C)CCC(=O)N(C)C)NC1=O	ZINC000952856911	1059588851	/nfs/dbraw/zinc/58/88/51/1059588851.db2.gz	OFDJFKCUENDXAY-QAXCHELISA-N	0	0	655.796	3.329	50	0		KGAARN
Cc1nc(N)sc1CC(=O)N1CC[C@H]2OCc3cccc(c3)Oc3cccc(c3)CCC(=O)N(C)CC(=O)N[C@H]2C1	ZINC000952856912	1059589488	/nfs/dbraw/zinc/58/94/88/1059589488.db2.gz	JHJXQHJRWXNFHU-LOSJGSFVSA-N	0	0	577.707	3.076	50	0		KGAARN
COc1cc2ccc1Oc1cccc(c1)CO[C@H]1CN(C(=O)c3ncoc3C)C[C@@H]1NC(=O)CN(C1CC1)C(=O)CC2	ZINC000952856927	1059589370	/nfs/dbraw/zinc/58/93/70/1059589370.db2.gz	OKDZYUVHSYGEGH-IGKIAQTJSA-N	0	0	574.634	3.247	50	0		KGAARN
CCc1cc(C(=O)N2CC[C@H]3OCc4cccc(c4)Oc4cccc(c4)CCC(=O)N(C)CC(=O)N[C@H]3C2)cc(=O)[nH]1	ZINC000952856929	1059589321	/nfs/dbraw/zinc/58/93/21/1059589321.db2.gz	JNPHNTMLMGRJCA-WUFINQPMSA-N	0	0	572.662	3.463	50	0		KGAARN
COc1ccc2cc1Oc1cccc(c1)CO[C@H]1CN(C(=O)CSc3nccc(C)n3)C[C@@H]1NC(=O)CN(C)C2	ZINC000952856940	1059589520	/nfs/dbraw/zinc/58/95/20/1059589520.db2.gz	UFLDTVNHNKAOIT-OZXSUGGESA-N	0	0	563.680	3.036	50	0		KGAARN
Cc1nnnn1Cc1ccc(C(=O)N2C[C@@H]3NC(=O)CN(C4CC4)Cc4cccc(c4)Oc4cccc(c4)CO[C@H]3C2)cc1	ZINC000952856963	1059589503	/nfs/dbraw/zinc/58/95/03/1059589503.db2.gz	PHGNUBYGUUZYKU-CONSDPRKSA-N	0	0	593.688	3.326	50	0		KGAARN
COc1cc2ccc1Oc1cccc(c1)CO[C@H]1CN(c3nnnn3-c3ccccc3)C[C@@H]1NC(=O)CN(C1CC1)C(=O)CC2	ZINC000952856993	1059589346	/nfs/dbraw/zinc/58/93/46/1059589346.db2.gz	GAVXYHMOSCCYED-FIBWVYCGSA-N	0	0	609.687	3.291	50	0		KGAARN
COc1cc2ccc1Oc1cccc(c1)CO[C@H]1CN(C(=O)c3ncccc3O)C[C@@H]1NC(=O)CN(C1CC1)C(=O)CC2	ZINC000952857000	1059589395	/nfs/dbraw/zinc/58/93/95/1059589395.db2.gz	VFBYQXLCCAIELZ-CUBQBAPOSA-N	0	0	586.645	3.051	50	0		KGAARN
Cc1ccc2cc1Oc1cccc(c1)CO[C@@H]1CCN(C(=O)CCc3c(C)nc(=O)[nH]c3C)C[C@@H]1NC(=O)CN(C)C2=O	ZINC000952857012	1059589276	/nfs/dbraw/zinc/58/92/76/1059589276.db2.gz	GPKFXWJDVVTGBF-RRPNLBNLSA-N	0	0	587.677	3.220	50	0		KGAARN
CCCNC(=O)N1CC[C@@H]2OCc3cccc(c3)Oc3cccc(c3)CC(=O)N(CC)CC(=O)N[C@H]2C1	ZINC000952857015	1059590035	/nfs/dbraw/zinc/59/00/35/1059590035.db2.gz	VIQQRZXJRDQYNF-DQEYMECFSA-N	0	0	508.619	3.079	50	0		KGAARN
COc1ccc2cc1Oc1cccc(c1)CO[C@H]1CCN(c3ncc(Cl)cn3)C[C@@H]1NC(=O)CN(CCCO)C2=O	ZINC000952857025	1059589860	/nfs/dbraw/zinc/58/98/60/1059589860.db2.gz	MKGMBLZYEXDRKO-ZEQRLZLVSA-N	0	0	582.057	3.049	50	0		KGAARN
COc1ccc2cc1Oc1cccc(c1)CO[C@H]1CN(C(=O)c3nn(C)c4ccccc43)C[C@@H]1NC(=O)CN(C)C2	ZINC000952857033	1059590086	/nfs/dbraw/zinc/59/00/86/1059590086.db2.gz	QJZLNTAJJNDDQQ-CUBQBAPOSA-N	0	0	555.635	3.346	50	0		KGAARN
Cc1ccc2cc1Oc1cccc(c1)CO[C@@H]1CCN(C(=O)c3n[nH]c4c3CCC4)C[C@@H]1NC(=O)CN(C)C2=O	ZINC000952857045	1059589882	/nfs/dbraw/zinc/58/98/82/1059589882.db2.gz	QNOSHXVCBZXOCZ-LOSJGSFVSA-N	0	0	543.624	3.001	50	0		KGAARN
Cc1n[nH]c(C)c1CC(=O)N1CC[C@H]2OCc3cccc(c3)Oc3cc(ccc3C)C(=O)N(C)CC(=O)N[C@H]2C1	ZINC000952857103	1059590104	/nfs/dbraw/zinc/59/01/04/1059590104.db2.gz	ZSTOFDIRVOKYKF-IZZNHLLZSA-N	0	0	545.640	3.058	50	0		KGAARN
COCCCN1CC(=O)N[C@H]2CN(C(=O)COC(C)C)CC[C@H]2OCc2cccc(c2)Oc2ccc(cc2OC)CCC1=O	ZINC000952857124	1059589959	/nfs/dbraw/zinc/58/99/59/1059589959.db2.gz	KGWQIOYAHJMXOB-WUFINQPMSA-N	0	0	611.736	3.326	50	0		KGAARN
COc1cc2cc(c1)C(=O)NCCCC(=O)N[C@H]1CN(Cc3cnc(N)s3)CC[C@@H]1OCc1cccc(c1)O2	ZINC000952857152	1059589979	/nfs/dbraw/zinc/58/99/79/1059589979.db2.gz	LRSPFGXZPSFMIN-DQEYMECFSA-N	0	0	551.669	3.326	50	0		KGAARN
COCCCN1CC(=O)N[C@H]2CN(C(=O)c3[nH]cnc3C)CC[C@H]2OCc2cccc(c2)Oc2ccc(cc2OC)CCC1=O	ZINC000952857159	1059590618	/nfs/dbraw/zinc/59/06/18/1059590618.db2.gz	ICJUOSNLLRRHRV-RRPNLBNLSA-N	0	0	619.719	3.246	50	0		KGAARN
COc1ccc2cc1O[C@H]1C[C@@H](C(=O)NCCCCN(C(=O)Cc3c(C)noc3C)CCCNC2=O)N(C(=O)c2ccc3[nH]c(C)nc3c2)C1	ZINC000952857190	1059590494	/nfs/dbraw/zinc/59/04/94/1059590494.db2.gz	APNVFPNDFAJKIF-YZNIXAGQSA-N	0	0	685.782	3.248	50	0		KGAARN
COc1cccc2c1OCCCn1cc(nn1)CCN(C(=O)C1(c3ccc(S(C)(=O)=O)cc3)CCC1)CCNC(=O)[C@H](Cc1ccccc1)NC2=O	ZINC000952857195	1059590583	/nfs/dbraw/zinc/59/05/83/1059590583.db2.gz	AUHWAUFMFYBPJK-YTTGMZPUSA-N	0	0	728.872	3.123	50	0		KGAARN
CCN1CC(=O)N[C@H]2CN(C(=O)CCN3CCCC3=O)CC[C@@H]2OCc2cccc(c2)Oc2cc(OC(C)C)cc(c2)C1=O	ZINC000952857219	1059590747	/nfs/dbraw/zinc/59/07/47/1059590747.db2.gz	RLHBACOBCZDOFV-VMPREFPWSA-N	0	0	606.720	3.357	50	0		KGAARN
COCCOc1cc2cc(c1)C(=O)NCCNC(=O)N[C@H]1CCN(C(=O)c3cc(C)nc(C)c3)C[C@@H]1OCc1cccc(c1)O2	ZINC000952857258	1059590601	/nfs/dbraw/zinc/59/06/01/1059590601.db2.gz	BYGGNEBRYGYUJO-KYJUHHDHSA-N	0	0	617.703	3.358	50	0		KGAARN
CNS(=O)(=O)c1ccc(CN2C[C@@H]3NC(=O)CN(C4CC4)Cc4cccc(c4)Oc4cccc(c4)CO[C@H]3C2)cc1	ZINC000952857291	1059590638	/nfs/dbraw/zinc/59/06/38/1059590638.db2.gz	CVKIWVWVVXRHCX-KYJUHHDHSA-N	0	0	576.719	3.251	50	0		KGAARN
O=C(c1cnccn1)N1CC[C@H]2OCc3cccc(c3)Oc3cc(OCC4CC4)cc(c3)C(=O)NCCC(=O)N[C@H]2C1	ZINC000952857300	1059590566	/nfs/dbraw/zinc/59/05/66/1059590566.db2.gz	DJBMCNZPDBEXIN-WUFINQPMSA-N	0	0	571.634	3.107	50	0		KGAARN
Cc1ccc2cc1Oc1cccc(c1)CO[C@H]1CN(C(=O)c3ccc(C(C)C)n(C)c3=O)C[C@@H]1NC(=O)CN(C)C2=O	ZINC000952857319	1059590765	/nfs/dbraw/zinc/59/07/65/1059590765.db2.gz	WKFVGCPLKVSHJA-LSYYVWMOSA-N	0	0	572.662	3.221	50	0		KGAARN
CCc1nnc(CN2C[C@@H]3NC(=O)CN(C4CC4)Cc4cccc(c4)Oc4cccc(c4)CO[C@H]3C2)o1	ZINC000952857322	1059590988	/nfs/dbraw/zinc/59/09/88/1059590988.db2.gz	WQWUVJDKAIJESP-DQEYMECFSA-N	0	0	503.603	3.288	50	0		KGAARN
Cc1nnc(N2CC[C@@H]3OCc4cccc(c4)Oc4ccc(cc4)CCC(=O)N(CCCO)CC(=O)N[C@H]3C2)s1	ZINC000952857325	1059591089	/nfs/dbraw/zinc/59/10/89/1059591089.db2.gz	RMELTOCBBHDDLW-UIOOFZCWSA-N	0	0	565.696	3.076	50	0		KGAARN
Cc1cc(C2CCC2)nc(N2C[C@@H]3NC(=O)c4ccc(Cl)c(c4)OCCCn4cc(nn4)CO[C@H]3C2)n1	ZINC000952857328	1059590971	/nfs/dbraw/zinc/59/09/71/1059590971.db2.gz	LOEXEAROVDNPEC-UPVQGACJSA-N	0	0	524.025	3.284	50	0		KGAARN
CCc1nccn1CCC(=O)N1CC[C@@H]2OCc3cccc(c3)Oc3cccc(c3)CC(=O)N(CC)CC(=O)N[C@H]2C1	ZINC000952857335	1059591115	/nfs/dbraw/zinc/59/11/15/1059591115.db2.gz	SBYSMWBDJTWUKO-NSOVKSMOSA-N	0	0	573.694	3.335	50	0		KGAARN
COc1cc2cc(c1)C(=O)NCCCC(=O)N[C@H]1CN(Cc3nncn3C(C)C)CC[C@@H]1OCc1cccc(c1)O2	ZINC000952857351	1059591148	/nfs/dbraw/zinc/59/11/48/1059591148.db2.gz	XCJNHTNXDVPPSM-SVBPBHIXSA-N	0	0	562.671	3.459	50	0		KGAARN
CC(=O)N[C@H]1CCN(C(=O)[C@@H]2Cc3ccc(cc3)Oc3cccc(c3)C(=O)N[C@H](Cc3ccccc3)C(=O)N[C@@H](CC(C)C)C(=O)N2)C1	ZINC000952857358	1059591009	/nfs/dbraw/zinc/59/10/09/1059591009.db2.gz	PJTOJXUVDRZWKL-RACJEYCXSA-N	0	0	653.780	3.129	50	0		KGAARN
Cc1ccc2cc1Oc1cccc(c1)CO[C@H]1CN(C(=O)c3cc(C4CC4)no3)C[C@@H]1NC(=O)CN(C)C2=O	ZINC000952857365	1059591068	/nfs/dbraw/zinc/59/10/68/1059591068.db2.gz	XFOIOURZTCNFHX-OZXSUGGESA-N	0	0	530.581	3.264	50	0		KGAARN
COCCN1CC(=O)N[C@H]2CN(Cc3noc(CC(C)C)n3)C[C@@H]2OCc2cccc(c2)Oc2cc(ccc2OC)CCC1=O	ZINC000952857387	1059591029	/nfs/dbraw/zinc/59/10/29/1059591029.db2.gz	XLPJYPMKMNMNIU-WNJJXGMVSA-N	0	0	621.735	3.376	50	0		KGAARN
CCN1CC(=O)N[C@H]2CN(C(=O)c3cc4c([nH]c3=O)CCC4)CC[C@@H]2OCc2cccc(c2)Oc2cccc(c2)CC1=O	ZINC000952857393	1059591046	/nfs/dbraw/zinc/59/10/46/1059591046.db2.gz	MUJHESDQAZVUHF-VMPREFPWSA-N	0	0	584.673	3.389	50	0		KGAARN
CCN1CC(=O)N[C@H]2CN(C(=O)c3ccn(CC)n3)CC[C@@H]2OCc2cccc(c2)Oc2cccc(c2)CC1=O	ZINC000952857395	1059591530	/nfs/dbraw/zinc/59/15/30/1059591530.db2.gz	FWIZPEFYZAUTLK-SVBPBHIXSA-N	0	0	545.640	3.016	50	0		KGAARN
CCc1noc(C)c1C(=O)N1C[C@@H]2NC(=O)CN(C)C(=O)c3ccc(C)c(c3)Oc3cccc(c3)CO[C@H]2C1	ZINC000952857397	1059591517	/nfs/dbraw/zinc/59/15/17/1059591517.db2.gz	XUVFOHXHMJNCMT-ZCYQVOJMSA-N	0	0	532.597	3.258	50	0		KGAARN
COCCCN1CC(=O)N[C@H]2CN(C(=O)c3cc(C)n(C)n3)CC[C@H]2OCc2cccc(c2)Oc2ccc(cc2OC)CCC1=O	ZINC000952857406	1059591564	/nfs/dbraw/zinc/59/15/64/1059591564.db2.gz	QIEQPRBVVRWNFU-URLMMPGGSA-N	0	0	633.746	3.257	50	0		KGAARN
COc1ccc2cc1Oc1cccc(c1)CO[C@@H]1CCN(C(=O)c3ccc(=O)n(C)c3)C[C@@H]1NC(=O)CC2	ZINC000952857413	1059591506	/nfs/dbraw/zinc/59/15/06/1059591506.db2.gz	GIYBKUFOYJJUHY-BJKOFHAPSA-N	0	0	517.582	3.049	50	0		KGAARN
O=C(CCc1cnccn1)N1CC[C@H]2OCc3cccc(c3)Oc3cc(OCC4CC4)cc(c3)C(=O)NCCC(=O)N[C@H]2C1	ZINC000952857428	1059591548	/nfs/dbraw/zinc/59/15/48/1059591548.db2.gz	NIRDASPJANMVBM-XZWHSSHBSA-N	0	0	599.688	3.426	50	0		KGAARN
CCOc1cc2cc(c1)C(=O)N(C)CC(=O)N[C@H]1CN(C(=O)c3ccnc(NC)c3)CC[C@H]1OCc1cccc(c1)O2	ZINC000952857437	1059591492	/nfs/dbraw/zinc/59/14/92/1059591492.db2.gz	NRQMRJFROGUOJD-RRPNLBNLSA-N	0	0	573.650	3.316	50	0		KGAARN
CCc1cc(C[NH+]2CCC3(Cc4cccc(c4)Oc4ccc(cc4)C[C@@H](C(=O)[O-])NC(=O)CCNC3=O)CC2)on1	ZINC000952857443	1059591604	/nfs/dbraw/zinc/59/16/04/1059591604.db2.gz	HQMLNMRTPOJROH-MHZLTWQESA-N	0	0	560.651	3.486	50	0		KGAARN
Cc1cc(N2CCC3(CC2)Cc2cn(nn2)CCCNC(=O)[C@H](Cc2ccccc2)NC3=O)nc2ccccc12	ZINC000952857447	1059591650	/nfs/dbraw/zinc/59/16/50/1059591650.db2.gz	UERJKDIJKJEOTF-MHZLTWQESA-N	0	0	537.668	3.211	50	0		KGAARN
CN1CC(=O)N[C@H]2CN(C(=O)Cc3cccnc3)CC[C@H]2OCc2cccc(c2)Oc2cccc(c2)CCC1=O	ZINC000952857455	1059591631	/nfs/dbraw/zinc/59/16/31/1059591631.db2.gz	NVPMLAGVMFIXSP-WUFINQPMSA-N	0	0	542.636	3.124	50	0		KGAARN
CCOc1cc2cc(c1)C(=O)N(C)CC(=O)N[C@H]1CN(C(=O)c3ccco3)CC[C@H]1OCc1cccc(c1)O2	ZINC000952857464	1059592072	/nfs/dbraw/zinc/59/20/72/1059592072.db2.gz	UQISXKADNIBQOS-LOSJGSFVSA-N	0	0	533.581	3.472	50	0		KGAARN
COCCc1noc(CN2CC[C@H]3OCc4cccc(c4)Oc4cc(OCC5CC5)cc(c4)C(=O)NCCC(=O)N[C@H]3C2)n1	ZINC000952857498	1059592210	/nfs/dbraw/zinc/59/22/10/1059592210.db2.gz	OSZWRLSMQRWFAJ-WUFINQPMSA-N	0	0	605.692	3.249	50	0		KGAARN
CCc1nccn1CCC(=O)N1CC[C@H]2OCc3cccc(c3)Oc3cccc(c3)CCC(=O)N(C)CC(=O)N[C@H]2C1	ZINC000952857499	1059592163	/nfs/dbraw/zinc/59/21/63/1059592163.db2.gz	OTDGJNNBLTXJCJ-WUFINQPMSA-N	0	0	573.694	3.335	50	0		KGAARN
CCN1CC(=O)N[C@H]2CN(C(=O)Cc3c(C)noc3C)CC[C@@H]2OCc2cccc(c2)Oc2cccc(c2)CC1=O	ZINC000952857525	1059592048	/nfs/dbraw/zinc/59/20/48/1059592048.db2.gz	PEYORPBVTXFSPM-NSOVKSMOSA-N	0	0	560.651	3.333	50	0		KGAARN
CCCNS(=O)(=O)c1ccc(C(=O)N2C[C@@H]3NC(=O)CN(C)Cc4ccc(OC)c(c4)Oc4cccc(c4)CO[C@H]3C2)cc1	ZINC000952857535	1059592118	/nfs/dbraw/zinc/59/21/18/1059592118.db2.gz	WKSUZTVQMAASNP-FIBWVYCGSA-N	0	0	622.744	3.147	50	0		KGAARN
CCc1noc(C)c1C(=O)N1CC[C@@H]2NC(=O)NCCNC(=O)c3cc(OCCOC)cc(c3)Oc3cccc(c3)CO[C@H]2C1	ZINC000952857544	1059592094	/nfs/dbraw/zinc/59/20/94/1059592094.db2.gz	WNZZXNVPHDYMNB-NSOVKSMOSA-N	0	0	621.691	3.205	50	0		KGAARN
COc1cccc2c1OCCCn1cc(nn1)CCN(C(=O)c1c(C)nc3cc(C)ccn31)CCNC(=O)[C@H](Cc1ccccc1)NC2=O	ZINC000952857550	1059591978	/nfs/dbraw/zinc/59/19/78/1059591978.db2.gz	QALSKDGNRYWJLC-LJAQVGFWSA-N	0	0	664.767	3.176	50	0		KGAARN
CC(C)COc1cc2cc(c1)C(=O)NCC(=O)N1CCN(C(=O)C(C)(C)C)C[C@@H]1C(=O)NCCc1cccc(c1)O2	ZINC000952857551	1059592143	/nfs/dbraw/zinc/59/21/43/1059592143.db2.gz	XCUDFXBDBBFHGO-AREMUKBSSA-N	0	0	564.683	3.001	50	0		KGAARN
O=C(CCc1ccccn1)N1CC[C@@H]2OCc3cccc(c3)Oc3ccc(cc3)CCC(=O)N(CCCO)CC(=O)N[C@H]2C1	ZINC000952857556	1059592002	/nfs/dbraw/zinc/59/20/02/1059592002.db2.gz	QCDXADOHQQIENV-CONSDPRKSA-N	0	0	600.716	3.266	50	0		KGAARN
COCCCN1CC(=O)N[C@H]2CN(C(=O)Cn3ccnc3C)CC[C@H]2OCc2cccc(c2)Oc2ccc(cc2OC)CCC1=O	ZINC000952857567	1059592623	/nfs/dbraw/zinc/59/26/23/1059592623.db2.gz	KLAXWJPFNLRXSQ-URLMMPGGSA-N	0	0	633.746	3.106	50	0		KGAARN
CCN1CC(=O)N[C@H]2CN(Cc3c[nH]c(C)n3)CC[C@@H]2OCc2cccc(c2)Oc2cccc(c2)CC1=O	ZINC000952857568	1059592662	/nfs/dbraw/zinc/59/26/62/1059592662.db2.gz	XRNPGIXKCISGAB-SVBPBHIXSA-N	0	0	517.630	3.191	50	0		KGAARN
COc1cc2ccc1Oc1cccc(c1)CO[C@H]1CN(C(=O)c3ccccn3)C[C@@H]1NC(=O)CN(C1CC1)C(=O)CC2	ZINC000952857601	1059592841	/nfs/dbraw/zinc/59/28/41/1059592841.db2.gz	ZRMCEZUZJPWNNS-WNJJXGMVSA-N	0	0	570.646	3.346	50	0		KGAARN
CCOc1cc2cc(c1)C(=O)N(C)CC(=O)N[C@H]1CN(C(=O)CCCN3CCCCC3=O)CC[C@H]1OCc1cccc(c1)O2	ZINC000952857634	1059592767	/nfs/dbraw/zinc/59/27/67/1059592767.db2.gz	SSJBKKDPRHZEAE-URLMMPGGSA-N	0	0	606.720	3.358	50	0		KGAARN
COc1ccc2cc1Oc1cccc(c1)CO[C@H]1CN(C(=O)CCc3cccnc3)C[C@@H]1NC(=O)CN(C)C2	ZINC000952857677	1059592732	/nfs/dbraw/zinc/59/27/32/1059592732.db2.gz	KWBLUUYMWJMPNX-LSYYVWMOSA-N	0	0	530.625	3.173	50	0		KGAARN
COc1ccc2cc1Oc1cccc(c1)CO[C@H]1CCN(C(=O)c3cc(CC(C)C)on3)C[C@@H]1NC(=O)CN(CCCO)C2=O	ZINC000952857678	1059592828	/nfs/dbraw/zinc/59/28/28/1059592828.db2.gz	UWKSEKHYTAXZTM-NSOVKSMOSA-N	0	0	620.703	3.428	50	0		KGAARN
C[C@H]1C(=O)N[C@@H](Cc2ccccc2)C(=O)NCCN(Cc2cnc(C3CCCCC3)nc2)CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N1C	ZINC000952857685	1059592814	/nfs/dbraw/zinc/59/28/14/1059592814.db2.gz	LEDAJHUICZDNPP-XCSRUNNASA-N	0	0	692.865	3.239	50	0		KGAARN
COc1cccc2c1OCCCn1cc(nn1)CCN(C(=O)c1ccccc1-c1nccn1C)CCNC(=O)[C@H](Cc1ccccc1)NC2=O	ZINC000952857727	1059592751	/nfs/dbraw/zinc/59/27/51/1059592751.db2.gz	SCQDHIYWYNLCLQ-HKBQPEDESA-N	0	0	676.778	3.312	50	0		KGAARN
COCCCN1CC(=O)N[C@H]2CN(C(=O)c3csc(N)n3)CC[C@H]2OCc2cccc(c2)Oc2cc(ccc2OC)C1	ZINC000952857749	1059593186	/nfs/dbraw/zinc/59/31/86/1059593186.db2.gz	WUYBKKZGDFRBMC-UKILVPOCSA-N	0	0	595.722	3.294	50	0		KGAARN
O=C(c1ncoc1C1CC1)N1CC[C@@H]2OCc3cccc(c3)Oc3ccc(cc3)CCC(=O)N(CCCO)CC(=O)N[C@H]2C1	ZINC000952857759	1059593230	/nfs/dbraw/zinc/59/32/30/1059593230.db2.gz	XGNHDAALEALHOR-NSOVKSMOSA-N	0	0	602.688	3.418	50	0		KGAARN
COc1cc2cc(c1)C(=O)NCCCC(=O)N[C@H]1CN(C(=O)c3ccccn3)CC[C@@H]1OCc1cccc(c1)O2	ZINC000952857763	1059593207	/nfs/dbraw/zinc/59/32/07/1059593207.db2.gz	NKHQITOGVIBIFN-SVBPBHIXSA-N	0	0	544.608	3.322	50	0		KGAARN
COCCOc1cc2cc(c1)C(=O)NCCNC(=O)N[C@H]1CCN(C(=O)c3cccnc3SC)C[C@@H]1OCc1cccc(c1)O2	ZINC000952857778	1059593407	/nfs/dbraw/zinc/59/34/07/1059593407.db2.gz	NQDOYGJQNWUQIU-NSOVKSMOSA-N	0	0	635.743	3.464	50	0		KGAARN
CCc1nccc(CN2CC[C@@H]3NC(=O)NCCNC(=O)c4cc(OCCOC)cc(c4)Oc4cccc(c4)CO[C@H]3C2)n1	ZINC000952857781	1059593253	/nfs/dbraw/zinc/59/32/53/1059593253.db2.gz	OFDLQLVDMYSWIG-VMPREFPWSA-N	0	0	604.708	3.059	50	0		KGAARN
CCc1nccn1CCC(=O)N1C[C@@H]2NC(=O)CN(C3CC3)C(=O)CCc3ccc(c(OC)c3)Oc3cccc(c3)CO[C@H]2C1	ZINC000952857786	1059593354	/nfs/dbraw/zinc/59/33/54/1059593354.db2.gz	XTJHOFFIVXSPOX-FIBWVYCGSA-N	0	0	615.731	3.486	50	0		KGAARN
CCOc1cc2cc(c1)C(=O)N(C)CC(=O)N[C@H]1CN(C(=O)Cc3c(C)n[nH]c3C)CC[C@H]1OCc1cccc(c1)O2	ZINC000952857799	1059593314	/nfs/dbraw/zinc/59/33/14/1059593314.db2.gz	OZOQQPIWVLBRIU-WUFINQPMSA-N	0	0	575.666	3.148	50	0		KGAARN
O=C(CCN1CCCCCC1=O)N1CC[C@@H]2OCc3cccc(c3)Oc3ccc(cc3)CCC(=O)N(CCCO)CC(=O)N[C@H]2C1	ZINC000952857819	1059593391	/nfs/dbraw/zinc/59/33/91/1059593391.db2.gz	PIDQVTPMXUTIDJ-CONSDPRKSA-N	0	0	634.774	3.031	50	0		KGAARN
Cc1nn(C)c(C)c1CCC(=O)N1CC[C@H]2OCc3cccc(c3)Oc3cccc(c3)CCC(=O)N(C)CC(=O)N[C@H]2C1	ZINC000952857821	1059593334	/nfs/dbraw/zinc/59/33/34/1059593334.db2.gz	VMAIYHOWWOTWOK-XZWHSSHBSA-N	0	0	587.721	3.469	50	0		KGAARN
COCCOc1cc2cc(c1)C(=O)NCCNC(=O)N[C@H]1CC[N@H+](Cc3ccccc3C(=O)[O-])C[C@@H]1OCc1cccc(c1)O2	ZINC000952857839	1059593961	/nfs/dbraw/zinc/59/39/61/1059593961.db2.gz	QJIQZIUWXDSQQX-KYJUHHDHSA-N	0	0	618.687	3.405	50	0		KGAARN
COc1ccc2cc1OCC(=O)N[C@@H](C)C(=O)N(C)CCCCN(C(=O)Cc1ccc(C(C)C)cc1)CCCNC(=O)CC2	ZINC000952857874	1059593728	/nfs/dbraw/zinc/59/37/28/1059593728.db2.gz	WPLYRIGMSNESCD-VWLOTQADSA-N	0	0	608.780	3.465	50	0		KGAARN
Cc1n[nH]c(CCC(=O)N2CC[C@H]3OCc4cccc(c4)Oc4cc(ccc4C)C(=O)N(C)CC(=O)N[C@H]3C2)c1C	ZINC000952857892	1059593777	/nfs/dbraw/zinc/59/37/77/1059593777.db2.gz	RUKUGHZBUKUJKX-RRPNLBNLSA-N	0	0	559.667	3.448	50	0		KGAARN
COc1cccc2c1OCCCn1cc(nn1)CCN(C(=O)c1cc(C)oc1C)CCNC(=O)[C@H](Cc1ccccc1)NC2=O	ZINC000952857907	1059593750	/nfs/dbraw/zinc/59/37/50/1059593750.db2.gz	YFQBDKSCWFMZAN-NDEPHWFRSA-N	0	0	614.703	3.121	50	0		KGAARN
CSc1ncccc1C(=O)N1CCN2C(=O)CNC(=O)c3cc(OCC(C)C)cc(c3)Oc3cccc(c3)CCNC(=O)[C@H]2C1	ZINC000952858023	1059593821	/nfs/dbraw/zinc/59/38/21/1059593821.db2.gz	ZQWDFFZAWKOMTN-MUUNZHRXSA-N	0	0	631.755	3.386	50	0		KGAARN
COc1cc2ccc1Oc1cccc(c1)CO[C@H]1CN(C(=O)CCCn3ccnc3)C[C@@H]1NC(=O)CN(C1CC1)C(=O)CC2	ZINC000952858055	1059593925	/nfs/dbraw/zinc/59/39/25/1059593925.db2.gz	UFGAAPLEQHIPPI-FIBWVYCGSA-N	0	0	601.704	3.314	50	0		KGAARN
Nc1nccc(N2CC[C@H]3OCc4cccc(c4)Oc4cc(OCC5CC5)cc(c4)C(=O)NCCC(=O)N[C@H]3C2)n1	ZINC000952858171	1059593884	/nfs/dbraw/zinc/59/38/84/1059593884.db2.gz	WBTDYERMSIGMHO-IZZNHLLZSA-N	0	0	558.639	3.054	50	0		KGAARN
COCCCN1CC(=O)N[C@H]2CN(C(=O)Cc3c(C)n[nH]c3C)CC[C@H]2OCc2cccc(c2)Oc2ccc(cc2OC)CCC1=O	ZINC000952858177	1059593863	/nfs/dbraw/zinc/59/38/63/1059593863.db2.gz	WNALZFXBTASESW-XZWHSSHBSA-N	0	0	647.773	3.484	50	0		KGAARN
COc1ccc2cc1Oc1cccc(c1)CO[C@@H]1CCN(C(=O)CCc3ccnn3C)C[C@@H]1NC(=O)CC2	ZINC000952858193	1059594507	/nfs/dbraw/zinc/59/45/07/1059594507.db2.gz	YDBYRJLEEIVAJS-LOSJGSFVSA-N	0	0	518.614	3.402	50	0		KGAARN
CN1CC(=O)N[C@H]2CN(C(=O)C3CCC3)CC[C@H]2OCc2cccc(c2)Oc2cccc(c2)CCC1=O	ZINC000952858489	1059594447	/nfs/dbraw/zinc/59/44/47/1059594447.db2.gz	AFMPEYFAOYFJHE-IZZNHLLZSA-N	0	0	505.615	3.286	50	0		KGAARN
COCCOc1cc2cc(c1)C(=O)NCCNC(=O)N[C@H]1CCN(C(=O)c3c(F)cccc3OC)C[C@@H]1OCc1cccc(c1)O2	ZINC000952858502	1059594388	/nfs/dbraw/zinc/59/43/88/1059594388.db2.gz	AGZLKNZMQKEHLO-YTMVLYRLSA-N	0	0	636.677	3.494	50	0		KGAARN
CCCn1nccc1C(=O)N1CC[C@@H]2OCc3cccc(c3)Oc3ccc(cc3)CCC(=O)N(CCCO)CC(=O)N[C@H]2C1	ZINC000952858542	1059594428	/nfs/dbraw/zinc/59/44/28/1059594428.db2.gz	BFEILBYEWOXTRI-JDXGNMNLSA-N	0	0	603.720	3.159	50	0		KGAARN
COc1cccc2c1OCCCn1cc(nn1)CCN(C(=O)C1(c3ccccc3)CC1)CCNC(=O)[C@H](Cc1ccccc1)NC2=O	ZINC000952858545	1059594468	/nfs/dbraw/zinc/59/44/68/1059594468.db2.gz	BPMLMWAFPBVQNK-PMERELPUSA-N	0	0	636.753	3.330	50	0		KGAARN
COc1ccc2cc1OCC(=O)N[C@@H](C)C(=O)N(C)CCCCN(C(=O)Cc1cccc(C(F)(F)F)c1)CCCNC(=O)CC2	ZINC000952858547	1059594409	/nfs/dbraw/zinc/59/44/09/1059594409.db2.gz	CCXCXMULRWUAQU-QFIPXVFZSA-N	0	0	634.696	3.360	50	0		KGAARN
CC(C)C[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2cccc(c2)Oc2ccc(cc2)C[C@@H](C(=O)N2CCC[C@@H]2CO)NC1=O	ZINC000952858563	1059594489	/nfs/dbraw/zinc/59/44/89/1059594489.db2.gz	CWGCEGRSYWZHTN-NTUWNYAGSA-N	0	0	626.754	3.375	50	0		KGAARN
CS(=O)(=O)c1ccc(CC(=O)N2C[C@@H]3NC(=O)CN(C4CC4)Cc4cccc(c4)Oc4cccc(c4)CO[C@H]3C2)cc1	ZINC000952858570	1059594528	/nfs/dbraw/zinc/59/45/28/1059594528.db2.gz	DGDAJHWGADAZQY-KYJUHHDHSA-N	0	0	589.714	3.315	50	0		KGAARN
CCc1nccc(C[NH+]2CCC3(Cc4cccc(c4)Oc4ccc(cc4)C[C@@H](C(=O)[O-])NC(=O)CCNC3=O)CC2)n1	ZINC000952858577	1059594347	/nfs/dbraw/zinc/59/43/47/1059594347.db2.gz	DPLQBXWDSXNHFJ-MHZLTWQESA-N	0	0	571.678	3.288	50	0		KGAARN
CN1CC(=O)N[C@H]2CN(C(=O)c3n[nH]c4c3CCC4)CC[C@H]2OCc2cccc(c2)Oc2cccc(c2)CCC1=O	ZINC000952858587	1059594864	/nfs/dbraw/zinc/59/48/64/1059594864.db2.gz	DZXROCSWNBGXOL-RRPNLBNLSA-N	0	0	557.651	3.011	50	0		KGAARN
Cc1nc(CN2CC[C@@H]3OCc4cccc(c4)Oc4ccc(cc4)CCC(=O)N(CCCO)CC(=O)N[C@H]3C2)co1	ZINC000952858590	1059594889	/nfs/dbraw/zinc/59/48/89/1059594889.db2.gz	FESAMGLIJJBKLV-VMPREFPWSA-N	0	0	562.667	3.208	50	0		KGAARN
COc1ccc2cc1Oc1cccc(c1)CO[C@H]1CCN(C(=O)NC3CCCCC3)C[C@@H]1NC(=O)CN(CCCO)C2=O	ZINC000952858641	1059595051	/nfs/dbraw/zinc/59/50/51/1059595051.db2.gz	FJLGJKNYYNZCQH-SVBPBHIXSA-N	0	0	594.709	3.444	50	0		KGAARN
O=C1N[C@@H](C2CCCCC2)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCc2cn(nn2)CCCOc2ccc1cc2Cl	ZINC000952858676	1059594942	/nfs/dbraw/zinc/59/49/42/1059594942.db2.gz	FYIASPVLSFVEES-BDYUSTAISA-N	0	0	579.101	3.437	50	0		KGAARN
COc1nc2c(cc1C(=O)N1C[C@@H]3NC(=O)CN(C)C(=O)c4ccc(C)c(c4)Oc4cccc(c4)CO[C@H]3C1)CCC2	ZINC000952858706	1059595034	/nfs/dbraw/zinc/59/50/34/1059595034.db2.gz	GFXPGYDNWLXSOP-XCZPVHLTSA-N	0	0	570.646	3.291	50	0		KGAARN
COCCOc1cc2cc(c1)C(=O)NCCNC(=O)N[C@H]1CCN(C(=O)Cc3ccsc3)C[C@@H]1OCc1cccc(c1)O2	ZINC000952858829	1059595011	/nfs/dbraw/zinc/59/50/11/1059595011.db2.gz	HCFJHDWHVOIOPM-NSOVKSMOSA-N	0	0	608.717	3.337	50	0		KGAARN
Cc1onc(-c2ccccc2)c1C(=O)N1CCNC(=O)[C@@H](CC(C)C)NC(=O)c2cc(F)ccc2OCCn2cc(nn2)CC1	ZINC000952858927	1059594996	/nfs/dbraw/zinc/59/49/96/1059594996.db2.gz	IJVPKIHWBVWXTC-AREMUKBSSA-N	0	0	617.682	3.419	50	0		KGAARN
COCCCN1CC(=O)N[C@H]2CN(C(=O)c3ccon3)CC[C@H]2OCc2cccc(c2)Oc2ccc(cc2OC)CCC1=O	ZINC000952858941	1059594840	/nfs/dbraw/zinc/59/48/40/1059594840.db2.gz	IWZRTJMEYOPIMR-RRPNLBNLSA-N	0	0	606.676	3.203	50	0		KGAARN
CCN1CC(=O)N[C@H]2CN(C(=O)c3c[nH]cn3)CC[C@@H]2OCc2cccc(c2)Oc2cc(OC(C)C)cc(c2)C1=O	ZINC000952858974	1059594963	/nfs/dbraw/zinc/59/49/63/1059594963.db2.gz	KYCUOFFOVDCAPV-SVBPBHIXSA-N	0	0	561.639	3.381	50	0		KGAARN
CN1CC(=O)N[C@H]2CN(C(=O)c3cscn3)CC[C@H]2OCc2cccc(c2)Oc2cccc(c2)CCC1=O	ZINC000952858995	1059595553	/nfs/dbraw/zinc/59/55/53/1059595553.db2.gz	MIIVBCPZWORYLK-UKILVPOCSA-N	0	0	534.638	3.256	50	0		KGAARN
CN1CC(=O)N[C@H]2CN(C(=O)c3cncs3)CC[C@H]2OCc2cccc(c2)Oc2cccc(c2)CCC1=O	ZINC000952859090	1059595639	/nfs/dbraw/zinc/59/56/39/1059595639.db2.gz	OHOMKYQVVXSDDO-BJKOFHAPSA-N	0	0	534.638	3.256	50	0		KGAARN
Cc1cc(C)c(C(=O)N2CC[C@@H]3OCc4cccc(c4)Oc4ccc(cc4)CCC(=O)N(CCCO)CC(=O)N[C@H]3C2)c(=O)[nH]1	ZINC000952859257	1059595681	/nfs/dbraw/zinc/59/56/81/1059595681.db2.gz	QCSSXICRWMJBTC-VMPREFPWSA-N	0	0	616.715	3.270	50	0		KGAARN
COC(C)(C)C(=O)N1CC[C@@]23c4ccccc4N(Cc4cn(nn4)CCCOc4cccc(c4)[C@H]12)C3=O	ZINC000952859357	1059595448	/nfs/dbraw/zinc/59/54/48/1059595448.db2.gz	SBEMNSCKMUPNHL-RBJSKKJNSA-N	0	0	501.587	3.244	50	0		KGAARN
COc1ccc2cc1Oc1cccc(c1)CO[C@H]1CN(C(=O)c3ccc(C)n3C)C[C@@H]1NC(=O)CN(C)C2	ZINC000952859523	1059595616	/nfs/dbraw/zinc/59/56/16/1059595616.db2.gz	XICJSMODRWUOGR-HOFKKMOUSA-N	0	0	518.614	3.106	50	0		KGAARN
COCCOc1cc2cc(c1)C(=O)NCCNC(=O)N[C@H]1CCN(C(=O)C3CCCC3)C[C@@H]1OCc1cccc(c1)O2	ZINC000952859533	1059595422	/nfs/dbraw/zinc/59/54/22/1059595422.db2.gz	XZJSMWGTIWYEIZ-NSOVKSMOSA-N	0	0	580.682	3.223	50	0		KGAARN
Cc1nc(=O)[nH]c(C)c1CCC(=O)N1CC[C@H]2OCc3cccc(c3)Oc3cccc(c3)CCC(=O)N(C)CC(=O)N[C@H]2C1	ZINC000952859542	1059595529	/nfs/dbraw/zinc/59/55/29/1059595529.db2.gz	YDNPZYLTQGWSKU-URLMMPGGSA-N	0	0	601.704	3.231	50	0		KGAARN
COc1ccc2cc1Oc1cccc(c1)CO[C@@H]1CCN(C(=O)c3cccn(C)c3=O)C[C@@H]1NC(=O)CC2	ZINC000952861433	1059596230	/nfs/dbraw/zinc/59/62/30/1059596230.db2.gz	ADYJVHZDAHSZLC-BJKOFHAPSA-N	0	0	517.582	3.049	50	0		KGAARN
Cc1nn(C)c2nc(C)cc(C(=O)N3CC[C@@H]4OCc5cccc(c5)Oc5cncc(c5)C(=O)NCCCC(=O)N[C@H]4C3)c12	ZINC000952861442	1059596268	/nfs/dbraw/zinc/59/62/68/1059596268.db2.gz	AEMQXQXQANTUOA-SVBPBHIXSA-N	0	0	597.676	3.212	50	0		KGAARN
Cc1nc(C)c(C(=O)N2C[C@@H]3NC(=O)CN(C)C(=O)c4ccc(C)c(c4)Oc4cccc(c4)CO[C@H]3C2)s1	ZINC000952861456	1059596318	/nfs/dbraw/zinc/59/63/18/1059596318.db2.gz	AIIYVKYYGBSSCI-UPVQGACJSA-N	0	0	534.638	3.472	50	0		KGAARN
COCCCN1CC(=O)N[C@H]2CN(C(=O)C(=O)c3cccn3C)CC[C@H]2OCc2cccc(c2)Oc2ccc(cc2OC)CCC1=O	ZINC000952861468	1059596251	/nfs/dbraw/zinc/59/62/51/1059596251.db2.gz	AVEYRWJFARFUFS-LMSSTIIKSA-N	0	0	646.741	3.123	50	0		KGAARN
Cc1cc(CN2C[C@@H]3NC(=O)CCNC(=O)CCc4ccc(cc4)Oc4cccc(c4)CO[C@H]3C2)on1	ZINC000952861480	1059596127	/nfs/dbraw/zinc/59/61/27/1059596127.db2.gz	BGMDNOWZGXYGCF-UIOOFZCWSA-N	0	0	504.587	3.114	50	0		KGAARN
COCCOc1cc2cc(c1)C(=O)NCCNC(=O)N[C@H]1CCN(Cc3ccncc3)C[C@@H]1OCc1cccc(c1)O2	ZINC000952861515	1059596333	/nfs/dbraw/zinc/59/63/33/1059596333.db2.gz	CBTCKXKENVPGPM-VMPREFPWSA-N	0	0	575.666	3.101	50	0		KGAARN
COCCN1CC(=O)N[C@H]2CN(C(=O)CCc3cccnc3)C[C@@H]2OCc2cccc(c2)Oc2cc(ccc2OC)CCC1=O	ZINC000952861518	1059596747	/nfs/dbraw/zinc/59/67/47/1059596747.db2.gz	ABTGTWWHKXERME-IZEXYCQBSA-N	0	0	616.715	3.149	50	0		KGAARN
CCN1CC(=O)N[C@H]2CN(C(=O)c3cnc(C4CC4)nc3)CC[C@@H]2OCc2cccc(c2)Oc2cccc(c2)CC1=O	ZINC000952861531	1059596815	/nfs/dbraw/zinc/59/68/15/1059596815.db2.gz	CKJJYSYIGDDLIG-NSOVKSMOSA-N	0	0	569.662	3.467	50	0		KGAARN
COc1cc2ccc1OCC(=O)N[C@@H](C)C(=O)N(C)CCCCN(C(=O)c1cc3ccccc3s1)CCCNC2=O	ZINC000952861553	1059596972	/nfs/dbraw/zinc/59/69/72/1059596972.db2.gz	ARFHIMOTJRUORC-FQEVSTJZSA-N	0	0	580.707	3.308	50	0		KGAARN
CCOc1cc2cc(c1)C(=O)N(C)CC(=O)N[C@H]1CN(C(=O)CN(C)Cc3ccncc3)CC[C@H]1OCc1cccc(c1)O2	ZINC000952861576	1059596835	/nfs/dbraw/zinc/59/68/35/1059596835.db2.gz	BDVLRTDOKYQZCZ-XZWHSSHBSA-N	0	0	601.704	3.093	50	0		KGAARN
COc1ccc(F)c(F)c1CN1C[C@@H]2NC(=O)c3ccc(Cl)c(c3)OCCCn3cc(nn3)CO[C@H]2C1	ZINC000952861601	1059596771	/nfs/dbraw/zinc/59/67/71/1059596771.db2.gz	FKMGFOMUFDNQRN-REWPJTCUSA-N	0	0	533.963	3.200	50	0		KGAARN
CCCc1cc(C(=O)N2C[C@@H]3NC(=O)CN(C)C(=O)c4ccc(C)c(c4)Oc4cccc(c4)CO[C@H]3C2)n(C)n1	ZINC000952861602	1059596991	/nfs/dbraw/zinc/59/69/91/1059596991.db2.gz	FMCYZCRKKPJUSQ-IGKIAQTJSA-N	0	0	545.640	3.085	50	0		KGAARN
O=C1CN(C2CC2)Cc2cccc(c2)Oc2cccc(c2)CO[C@H]2CN(C(=O)c3cncs3)C[C@@H]2N1	ZINC000952861624	1059597690	/nfs/dbraw/zinc/59/76/90/1059597690.db2.gz	CREUINXKXRJNQX-ZEQRLZLVSA-N	0	0	504.612	3.439	50	0		KGAARN
CC(C)C[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)Cc2ccc(F)c(c2)Oc2ccc(cc2)C[C@@H](C(=O)N(C)CCCO)NC1=O	ZINC000952861633	1059597526	/nfs/dbraw/zinc/59/75/26/1059597526.db2.gz	CWMIZOASNWNJIB-YPKYBTACSA-N	0	0	646.760	3.301	50	0		KGAARN
CCc1ncc(CN2CC[C@@H]3NC(=O)NCCNC(=O)c4cc(OCCOC)cc(c4)Oc4cccc(c4)CO[C@H]3C2)cn1	ZINC000952861654	1059597433	/nfs/dbraw/zinc/59/74/33/1059597433.db2.gz	GMJAOONKDYXETI-VMPREFPWSA-N	0	0	604.708	3.059	50	0		KGAARN
COCCOc1cc2cc(c1)C(=O)NCCNC(=O)N[C@H]1CCN(Cc3nccs3)C[C@@H]1OCc1cccc(c1)O2	ZINC000952861661	1059597604	/nfs/dbraw/zinc/59/76/04/1059597604.db2.gz	DIXYJWQODZARTC-UIOOFZCWSA-N	0	0	581.695	3.163	50	0		KGAARN
COCCn1cncc1CN1C[C@@H]2NC(=O)CN(C3CC3)Cc3cccc(c3)Oc3cccc(c3)CO[C@H]2C1	ZINC000952861668	1059597492	/nfs/dbraw/zinc/59/74/92/1059597492.db2.gz	DQPWYBUYQNEBLC-VMPREFPWSA-N	0	0	531.657	3.186	50	0		KGAARN
CCOc1cc2cc(c1)C(=O)N(C)CC(=O)N[C@H]1CN(Cc3cnn(C)c3C)CC[C@H]1OCc1cccc(c1)O2	ZINC000952861705	1059597547	/nfs/dbraw/zinc/59/75/47/1059597547.db2.gz	FSTIJLOQJMPHNQ-WUFINQPMSA-N	0	0	547.656	3.281	50	0		KGAARN
COc1ccc2cc1Oc1cccc(c1)CO[C@@H]1CCN(C(=O)CCc3ccc(=O)[nH]n3)C[C@@H]1NC(=O)CC2	ZINC000952861751	1059597626	/nfs/dbraw/zinc/59/76/26/1059597626.db2.gz	AGODOLYZUBMNAY-BJKOFHAPSA-N	0	0	532.597	3.164	50	0		KGAARN
Cc1nc(C(=O)N2CC[C@@]34c5ccccc5N(Cc5cn(nn5)CCCOc5cccc(c5)[C@H]23)C4=O)c[nH]1	ZINC000952861762	1059597646	/nfs/dbraw/zinc/59/76/46/1059597646.db2.gz	AJYOWGSJFYCFOK-LBNVMWSVSA-N	0	0	509.570	3.164	50	0		KGAARN
CN1CC(=O)N[C@H]2CN(C(=O)c3cnc(C4CC4)[nH]c3=O)CC[C@H]2OCc2cccc(c2)Oc2cccc(c2)CCC1=O	ZINC000952861797	1059597712	/nfs/dbraw/zinc/59/77/12/1059597712.db2.gz	BLJDKMOSVPINHH-RRPNLBNLSA-N	0	0	585.661	3.173	50	0		KGAARN
Cc1noc(C)c1CC(=O)N1CC[C@@H]2OCc3cccc(c3)Oc3ccc(cc3)CCC(=O)N(CCCO)CC(=O)N[C@H]2C1	ZINC000952861844	1059597758	/nfs/dbraw/zinc/59/77/58/1059597758.db2.gz	CBAGDYRKHGMGMG-KYJUHHDHSA-N	0	0	604.704	3.086	50	0		KGAARN
COc1cc2ccc1OCC(=O)N[C@@H](C)C(=O)N(C)CCCCN(C(=O)c1cc(C)nc3cc(F)ccc31)CCCNC2=O	ZINC000952861862	1059598093	/nfs/dbraw/zinc/59/80/93/1059598093.db2.gz	CLZOHHHDUSHNAQ-NRFANRHFSA-N	0	0	607.683	3.089	50	0		KGAARN
COc1cc2cc(c1)C(=O)NCCCC(=O)N[C@H]1CN(C(=O)CN(C)Cc3ccccn3)CC[C@@H]1OCc1cccc(c1)O2	ZINC000952861878	1059598138	/nfs/dbraw/zinc/59/81/38/1059598138.db2.gz	FUGJKVKPELPHSE-KYJUHHDHSA-N	0	0	601.704	3.140	50	0		KGAARN
CCN1CC(=O)N[C@H]2CN(C(=O)c3cc(C(C)C)n4ncnc4n3)CC[C@@H]2OCc2cccc(c2)Oc2cccc(c2)CC1=O	ZINC000952861882	1059598113	/nfs/dbraw/zinc/59/81/13/1059598113.db2.gz	IOSZFFSHFGTZDF-YTMVLYRLSA-N	0	0	611.703	3.361	50	0		KGAARN
COCCOc1cc2cc(c1)C(=O)NCCNC(=O)N[C@H]1CCN(C(=O)c3ccc(C)cc3O)C[C@@H]1OCc1cccc(c1)O2	ZINC000952861884	1059598049	/nfs/dbraw/zinc/59/80/49/1059598049.db2.gz	FWVRSSDNNYZNLC-JDXGNMNLSA-N	0	0	618.687	3.361	50	0		KGAARN
CN1CC(=O)N[C@H]2CN(C(=O)c3ccccn3)CC[C@H]2OCc2cccc(c2)Oc2cccc(c2)CCC1=O	ZINC000952861893	1059598254	/nfs/dbraw/zinc/59/82/54/1059598254.db2.gz	ISZIRUKMLRXXIQ-RRPNLBNLSA-N	0	0	528.609	3.195	50	0		KGAARN
CCC(=O)N1CCC(C(=O)N2CC[C@@H]3OCc4cccc(c4)Oc4cc(OC)cc(c4)C(=O)NCCCC(=O)N[C@H]3C2)CC1	ZINC000952861924	1059598272	/nfs/dbraw/zinc/59/82/72/1059598272.db2.gz	DFYBCDNECANFNL-VMPREFPWSA-N	0	0	606.720	3.262	50	0		KGAARN
COc1ccnc(CN2C[C@@H]3NC(=O)CN(C)Cc4ccc(OC)c(c4)Oc4cccc(c4)CO[C@H]3C2)c1	ZINC000952861935	1059598027	/nfs/dbraw/zinc/59/80/27/1059598027.db2.gz	GVHLCAHGRACTNS-LSYYVWMOSA-N	0	0	518.614	3.222	50	0		KGAARN
COc1ccc2cc1Oc1cccc(c1)CO[C@H]1CN(C(=O)CN3CCOc4ccccc4C3)C[C@@H]1NC(=O)CN(C)C2	ZINC000952861939	1059598237	/nfs/dbraw/zinc/59/82/37/1059598237.db2.gz	GWHCKKFRLHXAJG-DHIFEGFHSA-N	0	0	586.689	3.040	50	0		KGAARN
CCN1CC(=O)N[C@H]2CN(C(=O)CCN3CCCCCC3=O)CC[C@@H]2OCc2cccc(c2)Oc2cccc(c2)CC1=O	ZINC000952861944	1059598197	/nfs/dbraw/zinc/59/81/97/1059598197.db2.gz	DOGJUSSDBLZHSO-VMPREFPWSA-N	0	0	590.721	3.279	50	0		KGAARN
Cc1ccc2cc1Oc1cccc(c1)CO[C@H]1CN(C(=O)CCC(=O)N3CCCCCC3)C[C@@H]1NC(=O)CN(C)C2=O	ZINC000952861945	1059598217	/nfs/dbraw/zinc/59/82/17/1059598217.db2.gz	GWRXSPVNNTWBKA-XCZPVHLTSA-N	0	0	576.694	3.268	50	0		KGAARN
COCCN1CC(=O)N[C@H]2CN(Cc3cccnc3)C[C@@H]2OCc2cccc(c2)Oc2cc(ccc2OC)CCC1=O	ZINC000952861946	1059598718	/nfs/dbraw/zinc/59/87/18/1059598718.db2.gz	DOKGHVQSDLTJDD-FIBWVYCGSA-N	0	0	574.678	3.190	50	0		KGAARN
COc1cccc2c1OCCCn1cc(nn1)CCN(C(=O)c1c(C)oc3c1C(=O)CCC3)CCNC(=O)[C@H](Cc1ccccc1)NC2=O	ZINC000952861951	1059598839	/nfs/dbraw/zinc/59/88/39/1059598839.db2.gz	JGVUSUDFWDNEFK-MHZLTWQESA-N	0	0	668.751	3.332	50	0		KGAARN
O=C(c1ccc(=O)[nH]c1)N1CC[C@]23c4ccccc4N(Cc4cn(nn4)CCCOc4cccc(c4)[C@H]12)C3=O	ZINC000952861956	1059598909	/nfs/dbraw/zinc/59/89/09/1059598909.db2.gz	HCCMKDUVFGJQEZ-WNJJXGMVSA-N	0	0	522.565	3.233	50	0		KGAARN
Cc1cc(C)n(Cc2cccc(C(=O)N3CCNC(=O)[C@@H](CC(C)C)NC(=O)c4cc(F)ccc4OCCn4cc(nn4)CC3)c2)n1	ZINC000952861973	1059598697	/nfs/dbraw/zinc/59/86/97/1059598697.db2.gz	JQEPOFKKHVZULV-SSEXGKCCSA-N	0	0	644.752	3.317	50	0		KGAARN
COc1ccc2cc1Oc1cccc(c1)CO[C@H]1CCN(C(=O)Cc3nc(C)sc3C)C[C@@H]1NC(=O)CN(CCCO)C2=O	ZINC000952861992	1059598782	/nfs/dbraw/zinc/59/87/82/1059598782.db2.gz	DZSAVDLCZIQRTN-SVBPBHIXSA-N	0	0	622.744	3.244	50	0		KGAARN
CCc1cnc(N2C[C@@H]3NC(=O)CCNC(=O)CCc4ccc(cc4)Oc4cccc(c4)CO[C@H]3C2)nc1	ZINC000952862006	1059598899	/nfs/dbraw/zinc/59/88/99/1059598899.db2.gz	KFDHKYWIFFTLAJ-UIOOFZCWSA-N	0	0	515.614	3.174	50	0		KGAARN
Cc1ccc2cc1Oc1cccc(c1)CO[C@@H]1CCN(C(=O)c3cnc(C4CC4)[nH]c3=O)C[C@@H]1NC(=O)CN(C)C2=O	ZINC000952862008	1059598949	/nfs/dbraw/zinc/59/89/49/1059598949.db2.gz	KFERVKWCSADXAJ-LOSJGSFVSA-N	0	0	571.634	3.162	50	0		KGAARN
COc1cc2cc(c1)C(=O)NCCCC(=O)N[C@H]1CN(Cc3cc(=O)c(OC)co3)CC[C@@H]1OCc1cccc(c1)O2	ZINC000952862012	1059598932	/nfs/dbraw/zinc/59/89/32/1059598932.db2.gz	IEASPZLCNCGOCQ-XCZPVHLTSA-N	0	0	577.634	3.249	50	0		KGAARN
CCN1CC(=O)N[C@H]2CN(C(=O)CCNC(=O)c3cccc(OC)c3)CC[C@@H]2OCc2cccc(c2)Oc2cccc(c2)CC1=O	ZINC000952862031	1059599398	/nfs/dbraw/zinc/59/93/98/1059599398.db2.gz	KNEZAKKGBQLQTC-CONSDPRKSA-N	0	0	628.726	3.315	50	0		KGAARN
CCOCCC(=O)N1CC[C@@]23c4ccccc4N(Cc4cn(nn4)CCCOc4cccc(c4)[C@H]12)C3=O	ZINC000952862033	1059599520	/nfs/dbraw/zinc/59/95/20/1059599520.db2.gz	FIZSMBLNJIEEAX-XTEPFMGCSA-N	0	0	501.587	3.245	50	0		KGAARN
O=C(C1CCOCC1)N1CC[C@@]23c4ccccc4N(Cc4cn(nn4)CCCOc4cccc(c4)[C@H]12)C3=O	ZINC000952862034	1059599700	/nfs/dbraw/zinc/59/97/00/1059599700.db2.gz	KNQLREYWNDWRSZ-LITSAYRRSA-N	0	0	513.598	3.245	50	0		KGAARN
COc1ccc(CN2C[C@@H]3NC(=O)CN(C)Cc4ccc(OC)c(c4)Oc4cccc(c4)CO[C@H]3C2)cc1Cn1cncn1	ZINC000952862041	1059599631	/nfs/dbraw/zinc/59/96/31/1059599631.db2.gz	FMILDSGUKQOZJZ-IUDBTDONSA-N	0	0	598.704	3.467	50	0		KGAARN
CCn1ccc(C(=O)N2CC[C@@]34c5ccccc5N(CC(=O)N(C)CCCOc5cccc(c5)[C@H]23)C4=O)n1	ZINC000952862049	1059599414	/nfs/dbraw/zinc/59/94/14/1059599414.db2.gz	KUHWPMQQPFHAFB-LITSAYRRSA-N	0	0	513.598	3.016	50	0		KGAARN
COc1ccc2cc1OCC(=O)N[C@@H](C)C(=O)N(C)CCCCN(C(=O)c1cccc3cc(C)oc31)CCCNC(=O)CC2	ZINC000952862061	1059599428	/nfs/dbraw/zinc/59/94/28/1059599428.db2.gz	LGKJAENKZGBXRQ-QHCPKHFHSA-N	0	0	606.720	3.467	50	0		KGAARN
Cn1cc(CCC(=O)N2C[C@@H]3NC(=O)CN(C4CC4)Cc4cccc(c4)Oc4cccc(c4)CO[C@H]3C2)cn1	ZINC000952862072	1059599608	/nfs/dbraw/zinc/59/96/08/1059599608.db2.gz	JOAASMJVKIVNPD-NSOVKSMOSA-N	0	0	529.641	3.035	50	0		KGAARN
COc1ccc2cc1Oc1cccc(c1)CO[C@@H]1CCN(C(=O)CCN3CCCC3=O)C[C@@H]1NC(=O)CC2	ZINC000952862122	1059600262	/nfs/dbraw/zinc/60/02/62/1059600262.db2.gz	LTGUXKBEFUMIBM-BJKOFHAPSA-N	0	0	521.614	3.049	50	0		KGAARN
CCc1cc(C(=O)N2CC[C@H]3OCc4cccc(c4)Oc4cccc(c4)CCC(=O)N(C)CC(=O)N[C@H]3C2)n(C)n1	ZINC000952862140	1059600136	/nfs/dbraw/zinc/60/01/36/1059600136.db2.gz	GEXOTERBVRCFTC-XTEPFMGCSA-N	0	0	559.667	3.096	50	0		KGAARN
COCCN1CC(=O)N[C@H]2CN(Cc3ccc(-n4cccn4)cc3)C[C@@H]2OCc2cccc(c2)Oc2cncc(c2)C1=O	ZINC000952862160	1059600221	/nfs/dbraw/zinc/60/02/21/1059600221.db2.gz	GNCJINHJAYANRW-KYJUHHDHSA-N	0	0	582.661	3.048	50	0		KGAARN
CC(C)c1ccc(C(=O)N2CCC3(CC2)Cc2cn(nn2)CCCNC(=O)[C@H](Cc2ccccc2)NC3=O)cc1	ZINC000952862178	1059600013	/nfs/dbraw/zinc/60/00/13/1059600013.db2.gz	MIMPILQNWNCCSF-MHZLTWQESA-N	0	0	542.684	3.114	50	0		KGAARN
CCOc1cc2cc(c1)C(=O)N(C)CC(=O)N[C@H]1CN(C(=O)c3ccccn3)CC[C@H]1OCc1cccc(c1)O2	ZINC000952862180	1059600279	/nfs/dbraw/zinc/60/02/79/1059600279.db2.gz	GSNOVKGSWOXZLN-RRPNLBNLSA-N	0	0	544.608	3.274	50	0		KGAARN
Cc1cc(C(=O)N2C[C@@H]3NC(=O)CN(C4CC4)Cc4cccc(c4)Oc4cccc(c4)CO[C@H]3C2)nc(C)n1	ZINC000952862184	1059600203	/nfs/dbraw/zinc/60/02/03/1059600203.db2.gz	GVDBYPJGCNNJJL-NSOVKSMOSA-N	0	0	527.625	3.390	50	0		KGAARN
O=C1N[C@H]2CN(Cc3cc4c(cc3Cl)OCO4)C[C@@H]2OCc2cn(nn2)CCCOc2cc1ccc2Cl	ZINC000952862205	1059600036	/nfs/dbraw/zinc/60/00/36/1059600036.db2.gz	HAGULRQPRLHBBL-RDPSFJRHSA-N	0	0	546.411	3.296	50	0		KGAARN
COCCn1ccnc1CN1CC[C@@H]2OCc3cccc(c3)Oc3cc(OC)cc(c3)C(=O)NCCCC(=O)N[C@H]2C1	ZINC000952862206	1059600065	/nfs/dbraw/zinc/60/00/65/1059600065.db2.gz	MUXFVIIKZVJFCB-NSOVKSMOSA-N	0	0	577.682	3.130	50	0		KGAARN
COCCOc1cc2cc(c1)C(=O)NCCNC(=O)N[C@H]1CCN(C(=O)c3ccc(O)c(C)c3)C[C@@H]1OCc1cccc(c1)O2	ZINC000952862209	1059601123	/nfs/dbraw/zinc/60/11/23/1059601123.db2.gz	HATDWTXPAIFZSG-JDXGNMNLSA-N	0	0	618.687	3.361	50	0		KGAARN
COc1ccc2cc1Oc1cccc(c1)CO[C@H]1CCN(Cc3[nH]nc(C)c3Cl)C[C@@H]1NC(=O)CN(CCCO)C2=O	ZINC000952862211	1059601134	/nfs/dbraw/zinc/60/11/34/1059601134.db2.gz	MWNRHJMLKFPUTC-ZCYQVOJMSA-N	0	0	598.100	3.287	50	0		KGAARN
COCCCN1CC(=O)N[C@H]2CN(C(=O)c3cc(=O)cc(C)[nH]3)CC[C@H]2OCc2cccc(c2)Oc2ccc(cc2OC)CCC1=O	ZINC000952862212	1059601046	/nfs/dbraw/zinc/60/10/46/1059601046.db2.gz	HDYQVONKVOETTC-XZWHSSHBSA-N	0	0	646.741	3.212	50	0		KGAARN
CC(C)C[C@@H]1NC(=O)c2cccc(c2)Oc2ccc(cc2)C[C@H](C(=O)NCc2cn3c(n2)SCC3)NC1=O	ZINC000952862214	1059601025	/nfs/dbraw/zinc/60/10/25/1059601025.db2.gz	MWPOYRQPXUXOIC-BJKOFHAPSA-N	0	0	533.654	3.283	50	0		KGAARN
Cc1ccc2cc1Oc1cccc(c1)CO[C@@H]1CCN(C(=O)c3ccoc3)C[C@@H]1NC(=O)CN(C)C2=O	ZINC000952862273	1059600992	/nfs/dbraw/zinc/60/09/92/1059600992.db2.gz	HVEFHAUGIYERQM-BJKOFHAPSA-N	0	0	503.555	3.382	50	0		KGAARN
CCc1ocnc1C(=O)N1CC[C@@H]2OCc3cccc(c3)Oc3cccc(c3)CC(=O)N(CC)CC(=O)N[C@H]2C1	ZINC000952862296	1059601103	/nfs/dbraw/zinc/60/11/03/1059601103.db2.gz	IBFLLVBULYBCIK-AHWVRZQESA-N	0	0	546.624	3.350	50	0		KGAARN
COc1cc(N2CC[C@H]3OCc4cccc(c4)Oc4cc(ccc4OC)CCC(=O)N[C@H]3C2)nc(N)n1	ZINC000952862303	1059601078	/nfs/dbraw/zinc/60/10/78/1059601078.db2.gz	LAJLPSJROBWSFQ-LEWJYISDSA-N	0	0	505.575	3.095	50	0		KGAARN
COc1ccc2cc1Oc1cccc(c1)CO[C@H]1CN(Cc3cc(Cl)c(OCC(N)=O)c(OC)c3)C[C@@H]1NC(=O)CN(C)C2	ZINC000952862313	1059600974	/nfs/dbraw/zinc/60/09/74/1059600974.db2.gz	LDOAGWJBIOBYOH-SVEHJYQDSA-N	0	0	625.122	3.345	50	0		KGAARN
COc1ccc2cc1Oc1cccc(c1)CO[C@@H]1CCN(c3ncnc4nc[nH]c43)C[C@@H]1NC(=O)CC2	ZINC000952862320	1059601060	/nfs/dbraw/zinc/60/10/60/1059601060.db2.gz	IIKYIWWHWPBIRT-LEWJYISDSA-N	0	0	500.559	3.380	50	0		KGAARN
Cc1nccc(N2CC[C@H]3OCc4cccc(c4)Oc4cccc(c4)CCC(=O)N(C)CC(=O)N[C@H]3C2)n1	ZINC000952862356	1059602353	/nfs/dbraw/zinc/60/23/53/1059602353.db2.gz	INZOHIKKJVOJAG-IZZNHLLZSA-N	0	0	515.614	3.262	50	0		KGAARN
COCCOc1cc2cc(c1)C(=O)NCCNC(=O)N[C@H]1CCN(C(=O)c3cccnc3C)C[C@@H]1OCc1cccc(c1)O2	ZINC000952862359	1059602294	/nfs/dbraw/zinc/60/22/94/1059602294.db2.gz	LUANDEUBZJJYCS-VMPREFPWSA-N	0	0	603.676	3.050	50	0		KGAARN
COCCN1CC(=O)N[C@H]2CN(C(=O)Cn3cnc4ccccc43)C[C@@H]2OCc2cccc(c2)Oc2cc(ccc2OC)CCC1=O	ZINC000952862385	1059602376	/nfs/dbraw/zinc/60/23/76/1059602376.db2.gz	IUKLINLUAUXOJB-IUDBTDONSA-N	0	0	641.725	3.171	50	0		KGAARN
CN1CC(=O)N(CC(=O)N2CCc3cc4ccc3[C@H]2c2cccc(c2)OCCCNC(=O)c2cc(ccc2O)O4)C1=O	ZINC000952862388	1059602336	/nfs/dbraw/zinc/60/23/36/1059602336.db2.gz	MAPXNIGDBWZKLZ-GDLZYMKVSA-N	0	0	570.602	3.065	50	0		KGAARN
CC(C)COc1cc2cc(c1)C(=O)NCC(=O)N1CCN(C(=O)c3scc4c3OCCO4)C[C@@H]1C(=O)NCCc1cccc(c1)O2	ZINC000952862398	1059602386	/nfs/dbraw/zinc/60/23/86/1059602386.db2.gz	MHSPFIWPFZOXNO-AREMUKBSSA-N	0	0	648.738	3.102	50	0		KGAARN
Cc1nc(CC(=O)N2CC[C@@]34c5ccccc5N(CC(=O)NCCCOc5cccc(c5)[C@H]23)C4=O)cs1	ZINC000952862399	1059602368	/nfs/dbraw/zinc/60/23/68/1059602368.db2.gz	IYPJECRIVQJOIC-XTEPFMGCSA-N	0	0	516.623	3.151	50	0		KGAARN
Cc1nc(CC(=O)N2CC[C@@H]3OCc4cccc(c4)Oc4ccc(cc4)CCC(=O)N(CCCO)CC(=O)N[C@H]3C2)cs1	ZINC000952862404	1059602393	/nfs/dbraw/zinc/60/23/93/1059602393.db2.gz	MLRUQQKHQRWMDV-VMPREFPWSA-N	0	0	606.745	3.246	50	0		KGAARN
CCCn1nccc1C(=O)N1CC[C@@H]2OCc3cccc(c3)Oc3cccc(c3)CC(=O)N(CC)CC(=O)N[C@H]2C1	ZINC000952862412	1059602403	/nfs/dbraw/zinc/60/24/03/1059602403.db2.gz	MOQKQAUWRMPLJY-XCZPVHLTSA-N	0	0	559.667	3.406	50	0		KGAARN
O=C(c1cccc(=O)[nH]1)N1CC[C@]23c4ccccc4N(Cc4cn(nn4)CCCOc4cccc(c4)[C@H]12)C3=O	ZINC000952862416	1059602307	/nfs/dbraw/zinc/60/23/07/1059602307.db2.gz	PEWJYLWQIWTGRN-WNJJXGMVSA-N	0	0	522.565	3.233	50	0		KGAARN
COc1cc2ccc1Oc1cccc(c1)CO[C@H]1CN(C(=O)CCc3ccnn3C)C[C@@H]1NC(=O)CN(C1CC1)C(=O)CC2	ZINC000952862427	1059602322	/nfs/dbraw/zinc/60/23/22/1059602322.db2.gz	MYEJFYAWQWSVHL-FIBWVYCGSA-N	0	0	601.704	3.003	50	0		KGAARN
Cc1n[nH]c(C)c1CN1C[C@@H]2NC(=O)CN(C)C(=O)c3ccc(C)c(c3)Oc3cccc(c3)CO[C@H]2C1	ZINC000952862435	1059602935	/nfs/dbraw/zinc/60/29/35/1059602935.db2.gz	MZCHWKLYKUHSSR-AHWVRZQESA-N	0	0	503.603	3.099	50	0		KGAARN
O=C(c1cn2ccsc2n1)N1CC[C@@H]2OCc3cccc(c3)Oc3ccc(cc3)CCC(=O)N(CCCO)CC(=O)N[C@H]2C1	ZINC000952862448	1059603002	/nfs/dbraw/zinc/60/30/02/1059603002.db2.gz	NVADOEWGTWGNIW-XCZPVHLTSA-N	0	0	617.728	3.261	50	0		KGAARN
COc1cc2cc(c1)C(=O)NCCCC(=O)N[C@H]1CN(c3nc(C)nc4c3cnn4C)CC[C@@H]1OCc1cccc(c1)O2	ZINC000952862450	1059602847	/nfs/dbraw/zinc/60/28/47/1059602847.db2.gz	NVYSOEOEEVAECP-SVBPBHIXSA-N	0	0	585.665	3.277	50	0		KGAARN
O=C(CCC(=O)N1C[C@@H]2NC(=O)c3ccc(Cl)c(c3)OCCCn3cc(nn3)CO[C@H]2C1)c1ccc(F)cc1	ZINC000952862458	1059602876	/nfs/dbraw/zinc/60/28/76/1059602876.db2.gz	NXWUFAWCRWXPGN-DHLKQENFSA-N	0	0	555.994	3.042	50	0		KGAARN
COCCCN1CC(=O)N[C@H]2CN(C(=O)CCn3ccnc3C)CC[C@H]2OCc2cccc(c2)Oc2ccc(cc2OC)CCC1=O	ZINC000952862473	1059602959	/nfs/dbraw/zinc/60/29/59/1059602959.db2.gz	OGTOVHBRFFVZGM-XZWHSSHBSA-N	0	0	647.773	3.496	50	0		KGAARN
COCCCN1CC(=O)N[C@H]2CN(C(=O)c3ccccc3-c3nn[nH]n3)CC[C@H]2OCc2cccc(c2)Oc2cc(ccc2OC)C1	ZINC000952862476	1059602979	/nfs/dbraw/zinc/60/29/79/1059602979.db2.gz	AFVSDNJJWKJMOM-URLMMPGGSA-N	0	0	641.729	3.436	50	0		KGAARN
COCCCN1CC(=O)N[C@H]2CN(C(=O)c3n[nH]c4c3CCC4)CC[C@H]2OCc2cccc(c2)Oc2ccc(cc2OC)CCC1=O	ZINC000952862478	1059602888	/nfs/dbraw/zinc/60/28/88/1059602888.db2.gz	AANLDICJFBAQQQ-URLMMPGGSA-N	0	0	645.757	3.427	50	0		KGAARN
Cc1nc(C(=O)N2C[C@@H]3NC(=O)CN(C)C(=O)c4ccc(C)c(c4)Oc4cccc(c4)CO[C@H]3C2)c(C)s1	ZINC000952862479	1059603017	/nfs/dbraw/zinc/60/30/17/1059603017.db2.gz	AFWYYTDGSYTFMM-UPVQGACJSA-N	0	0	534.638	3.472	50	0		KGAARN
COCCOc1cc2cc(c1)C(=O)NCCNC(=O)N[C@H]1CCN(C(=O)CCc3scnc3C)C[C@@H]1OCc1cccc(c1)O2	ZINC000952862495	1059602861	/nfs/dbraw/zinc/60/28/61/1059602861.db2.gz	AMVZXBHJFHXDCQ-NSOVKSMOSA-N	0	0	637.759	3.431	50	0		KGAARN
COCCN1CC(=O)N[C@H]2CN(Cc3c(C)noc3C)C[C@@H]2OCc2cccc(c2)Oc2cc(ccc2OC)CCC1=O	ZINC000952862496	1059604379	/nfs/dbraw/zinc/60/43/79/1059604379.db2.gz	OPDPESDVKXMPKU-FIBWVYCGSA-N	0	0	592.693	3.399	50	0		KGAARN
CCn1ccc(C(=O)N2CC[C@H]3OCc4cccc(c4)Oc4cc(ccc4C)C(=O)N(C)CC(=O)N[C@H]3C2)n1	ZINC000952862509	1059604402	/nfs/dbraw/zinc/60/44/02/1059604402.db2.gz	AIFIMDIESFHZGK-LOSJGSFVSA-N	0	0	531.613	3.005	50	0		KGAARN
COc1cc2cc(c1)C(=O)NCCCC(=O)N[C@H]1CN(Cc3ccc(CN(C)S(C)(=O)=O)o3)CC[C@@H]1OCc1cccc(c1)O2	ZINC000952862533	1059604354	/nfs/dbraw/zinc/60/43/54/1059604354.db2.gz	AVXRXRPKBXZUKG-KYJUHHDHSA-N	0	0	640.759	3.271	50	0		KGAARN
COc1cccc2c1OCCCn1cc(nn1)CCN(Cc1coc(C(C)C)n1)CCNC(=O)[C@H](Cc1ccccc1)NC2=O	ZINC000952862534	1059604274	/nfs/dbraw/zinc/60/42/74/1059604274.db2.gz	PDUPZQILBIZCCI-NDEPHWFRSA-N	0	0	615.735	3.383	50	0		KGAARN
CCCc1cc(C(=O)N2CC[C@@H]3OCc4cccc(c4)Oc4ccc(cc4)CCC(=O)N(CCCO)CC(=O)N[C@H]3C2)[nH]n1	ZINC000952862536	1059604414	/nfs/dbraw/zinc/60/44/14/1059604414.db2.gz	AWVHUXGZRJRSTO-KYJUHHDHSA-N	0	0	603.720	3.228	50	0		KGAARN
O=C1CN(C2CC2)Cc2cccc(c2)Oc2cccc(c2)CO[C@H]2CN(C(=O)CCN3CCCCCC3=O)C[C@@H]2N1	ZINC000952862539	1059604294	/nfs/dbraw/zinc/60/42/94/1059604294.db2.gz	AXYZGXVUBHUWKW-VMPREFPWSA-N	0	0	560.695	3.462	50	0		KGAARN
CCOc1cc2cc(c1)C(=O)N(C)CC(=O)N[C@H]1CN(Cc3c(C)nn(CCO)c3C)CC[C@H]1OCc1cccc(c1)O2	ZINC000952862543	1059604323	/nfs/dbraw/zinc/60/43/23/1059604323.db2.gz	PGTFPNJMMXQNPS-XZWHSSHBSA-N	0	0	591.709	3.045	50	0		KGAARN
CCN1CC(=O)N[C@H]2CN(C(=O)c3noc(C)c3COC)CC[C@@H]2OCc2cccc(c2)Oc2cccc(c2)CC1=O	ZINC000952862556	1059604309	/nfs/dbraw/zinc/60/43/09/1059604309.db2.gz	BILZQCKFABBFEA-SVBPBHIXSA-N	0	0	576.650	3.242	50	0		KGAARN
CCN1CC(=O)N[C@H]2CN(C(=O)c3ccc(=O)n(C)c3)CC[C@@H]2OCc2cccc(c2)Oc2cc(OC(C)C)cc(c2)C1=O	ZINC000952862588	1059605148	/nfs/dbraw/zinc/60/51/48/1059605148.db2.gz	PFOUQEFHVAUBJK-VMPREFPWSA-N	0	0	602.688	3.357	50	0		KGAARN
CN1CC(=O)N[C@H]2CN(C(=O)c3cc4c([nH]c3=O)CCC4)CC[C@H]2OCc2cccc(c2)Oc2cccc(c2)CCC1=O	ZINC000952862611	1059605198	/nfs/dbraw/zinc/60/51/98/1059605198.db2.gz	CILJDJOOLCIGMK-URLMMPGGSA-N	0	0	584.673	3.389	50	0		KGAARN
COc1cc2cc(c1)C(=O)NCCCC(=O)N[C@H]1CN(C(=O)CCc3c(C)nc4ncnn4c3C)CC[C@@H]1OCc1cccc(c1)O2	ZINC000952862612	1059605189	/nfs/dbraw/zinc/60/51/89/1059605189.db2.gz	PLRNSVWGZJNLJF-KYJUHHDHSA-N	0	0	641.729	3.301	50	0		KGAARN
COCCCN1CC(=O)N[C@H]2CN(C(=O)c3cncnc3C)CC[C@H]2OCc2cccc(c2)Oc2ccc(cc2OC)CCC1=O	ZINC000952862617	1059605153	/nfs/dbraw/zinc/60/51/53/1059605153.db2.gz	PNPGXQYIHUQTLM-URLMMPGGSA-N	0	0	631.730	3.313	50	0		KGAARN
CCn1ccc(CN2C[C@@H]3NC(=O)CN(CCOC)C(=O)CCc4ccc(OC)c(c4)Oc4cccc(c4)CO[C@H]3C2)n1	ZINC000952862620	1059605137	/nfs/dbraw/zinc/60/51/37/1059605137.db2.gz	CCLQDQDJSNJLAR-FIBWVYCGSA-N	0	0	591.709	3.011	50	0		KGAARN
COCCOc1cc2cc(c1)C(=O)NCCNC(=O)N[C@H]1CCN(C(=O)c3nc4ccccn4c3F)C[C@@H]1OCc1cccc(c1)O2	ZINC000952862637	1059605056	/nfs/dbraw/zinc/60/50/56/1059605056.db2.gz	CFRCBOPIQNQTEP-SVBPBHIXSA-N	0	0	646.676	3.133	50	0		KGAARN
O=C(c1cncnc1)N1CC[C@H]2OCc3cccc(c3)Oc3cc(OCC4CC4)cc(c3)C(=O)NCCC(=O)N[C@H]2C1	ZINC000952862688	1059605128	/nfs/dbraw/zinc/60/51/28/1059605128.db2.gz	QFXQCUHKLNTANG-WUFINQPMSA-N	0	0	571.634	3.107	50	0		KGAARN
CN1CCCOc2cccc(c2)[C@@H]2N(C(=O)c3ccc(CO)cc3)CC[C@@]23c2ccccc2N(CC1=O)C3=O	ZINC000952862698	1059605083	/nfs/dbraw/zinc/60/50/83/1059605083.db2.gz	CWQSIDAZYNMMBO-QCENPCRXSA-N	0	0	525.605	3.292	50	0		KGAARN
O=C1N[C@H]2CN(C(=O)c3cnc4ccccc4c3)C[C@@H]2OCc2cn(nn2)CCCOc2cc1ccc2Cl	ZINC000952862707	1059606201	/nfs/dbraw/zinc/60/62/01/1059606201.db2.gz	DBRHHINHDNOQDU-ZCYQVOJMSA-N	0	0	532.988	3.102	50	0		KGAARN
COCCOc1cc2cc(c1)C(=O)NCCNC(=O)N[C@H]1CCN(Cc3cccnc3)C[C@@H]1OCc1cccc(c1)O2	ZINC000952862717	1059606082	/nfs/dbraw/zinc/60/60/82/1059606082.db2.gz	DBEFIBDUQPAGAL-VMPREFPWSA-N	0	0	575.666	3.101	50	0		KGAARN
CCN1CC(=O)N[C@H]2CN(C(=O)CCn3cncn3)CC[C@@H]2OCc2cccc(c2)Oc2cc(OC(C)C)cc(c2)C1=O	ZINC000952862733	1059606185	/nfs/dbraw/zinc/60/61/85/1059606185.db2.gz	LAQPUYXHGDFUCS-NSOVKSMOSA-N	0	0	590.681	3.026	50	0		KGAARN
COc1cccc(CN2CCNC(=O)[C@H](Cc3ccccc3)NC(=O)c3cccc(OC)c3OCCCn3cc(nn3)CC2)c1OC	ZINC000952862764	1059606115	/nfs/dbraw/zinc/60/61/15/1059606115.db2.gz	LHTZSBULYQXJII-LJAQVGFWSA-N	0	0	642.757	3.289	50	0		KGAARN
COc1cc2cc(c1)C(=O)NCCCC(=O)N[C@H]1CN(C(=O)c3ccc(OC)nc3OC)CC[C@@H]1OCc1cccc(c1)O2	ZINC000952862796	1059606217	/nfs/dbraw/zinc/60/62/17/1059606217.db2.gz	DWCJRSXZTAIUJD-SVBPBHIXSA-N	0	0	604.660	3.339	50	0		KGAARN
O=C(Cc1cccnc1)N1CC[C@@]23c4ccccc4N(Cc4cn(nn4)CCCOc4cccc(c4)[C@H]12)C3=O	ZINC000952862813	1059606056	/nfs/dbraw/zinc/60/60/56/1059606056.db2.gz	RDIUKVXWOOCZLL-MFMCTBQISA-N	0	0	520.593	3.457	50	0		KGAARN
CN1CC(=O)N[C@H]2CN(C(=O)c3nnc4n3CCCCC4)CC[C@H]2OCc2cccc(c2)Oc2cccc(c2)CCC1=O	ZINC000952862822	1059606150	/nfs/dbraw/zinc/60/61/50/1059606150.db2.gz	LYVAZDOOXKSJEO-RRPNLBNLSA-N	0	0	586.693	3.118	50	0		KGAARN
CCOc1cc2cc(c1)C(=O)N(C)CC(=O)N[C@H]1CN(C(=O)c3ncoc3C)CC[C@H]1OCc1cccc(c1)O2	ZINC000952862826	1059606176	/nfs/dbraw/zinc/60/61/76/1059606176.db2.gz	RFYOBEVUSDNSRO-LOSJGSFVSA-N	0	0	548.596	3.176	50	0		KGAARN
COCc1ccc(C(=O)N2CCNC(=O)[C@H](Cc3ccccc3)NC(=O)c3cccc(OC)c3OCCCn3cc(nn3)CC2)s1	ZINC000952862834	1059606166	/nfs/dbraw/zinc/60/61/66/1059606166.db2.gz	FHEGSQCOYQUVKF-MHZLTWQESA-N	0	0	646.770	3.120	50	0		KGAARN
O=C1N[C@H]2CN(c3ncccc3C(F)(F)F)C[C@@H]2OCc2cn(nn2)CCCOc2cc1ccc2Cl	ZINC000952862842	1059607235	/nfs/dbraw/zinc/60/72/35/1059607235.db2.gz	RHZXRQGCDRFLCP-ICSRJNTNSA-N	0	0	522.915	3.332	50	0		KGAARN
COCCOc1cc2cc(c1)C(=O)NCCNC(=O)N[C@H]1CCN(CCn3c4ccccc4oc3=O)C[C@@H]1OCc1cccc(c1)O2	ZINC000952862862	1059607275	/nfs/dbraw/zinc/60/72/75/1059607275.db2.gz	ROQBWKRHNOATNG-IZEXYCQBSA-N	0	0	645.713	3.114	50	0		KGAARN
Cc1nc2cc(C(=O)N3CC[C@@H]4OCc5cccc(c5)Oc5cncc(c5)C(=O)NCCCC(=O)N[C@H]4C3)ccc2[nH]1	ZINC000952862880	1059607213	/nfs/dbraw/zinc/60/72/13/1059607213.db2.gz	NGKRCOIXVKSEKW-NSOVKSMOSA-N	0	0	568.634	3.498	50	0		KGAARN
CC(=O)c1cc(CC(=O)N2CCC3(Cc4cn(nn4)CCCOc4ccc(cc4)CCNC3=O)CC2)cs1	ZINC000952862902	1059607193	/nfs/dbraw/zinc/60/71/93/1059607193.db2.gz	SDGBXWPZKADHRZ-UHFFFAOYSA-N	0	0	535.670	3.078	50	0		KGAARN
O=C(c1ccc(-n2ccnc2)cc1)N1CCC2(Cc3cn(nn3)CCCOc3ccc(cc3)CCNC2=O)CC1	ZINC000952862915	1059607172	/nfs/dbraw/zinc/60/71/72/1059607172.db2.gz	SGVVQZFOAGDDSP-UHFFFAOYSA-N	0	0	539.640	3.070	50	0		KGAARN
Cc1[nH]nc(C(=O)N2CC[C@H]3OCc4cccc(c4)Oc4cccc(c4)CCC(=O)N(C)CC(=O)N[C@H]3C2)c1Cl	ZINC000952862936	1059607157	/nfs/dbraw/zinc/60/71/57/1059607157.db2.gz	NUBPLNKNZHVWID-BJKOFHAPSA-N	0	0	566.058	3.485	50	0		KGAARN
CCCc1cc(C(=O)N2CC[C@@H]3OCc4cccc(c4)Oc4ccc(cc4)CCC(=O)N(CCCO)CC(=O)N[C@H]3C2)n(C)n1	ZINC000952862945	1059607247	/nfs/dbraw/zinc/60/72/47/1059607247.db2.gz	NYZONENHXDOADY-SMCANUKXSA-N	0	0	617.747	3.238	50	0		KGAARN
COc1ccc2cc1Oc1cccc(c1)CO[C@H]1CN(c3nc(C)cnc3C)C[C@@H]1NC(=O)CN(C)C2	ZINC000952862952	1059607201	/nfs/dbraw/zinc/60/72/01/1059607201.db2.gz	OCTKZCUSTSUXAR-OZXSUGGESA-N	0	0	503.603	3.230	50	0		KGAARN
CN1CC(=O)N[C@H]2CN(C(=O)c3ccncc3)CC[C@H]2OCc2cccc(c2)Oc2cccc(c2)CCC1=O	ZINC000952862986	1059607230	/nfs/dbraw/zinc/60/72/30/1059607230.db2.gz	PTOXYXOFBJXNEX-RRPNLBNLSA-N	0	0	528.609	3.195	50	0		KGAARN
COc1ccc2cc1Oc1cccc(c1)CO[C@H]1CCN(Cc3scnc3C)C[C@@H]1NC(=O)CN(CCCO)C2=O	ZINC000952862987	1059608166	/nfs/dbraw/zinc/60/81/66/1059608166.db2.gz	PTUNHOYUPOCNRO-DQEYMECFSA-N	0	0	580.707	3.367	50	0		KGAARN
CC(=O)c1c(C)nn(CC(=O)N2CC[C@H]3OCc4cccc(c4)Oc4cccc(c4)CCC(=O)N(C)CC(=O)N[C@H]3C2)c1C	ZINC000952863000	1059608200	/nfs/dbraw/zinc/60/82/00/1059608200.db2.gz	AHJPHULVYDLRIK-URLMMPGGSA-N	0	0	601.704	3.202	50	0		KGAARN
Cc1cc(C(=O)N2CC[C@H]3OCc4cccc(c4)Oc4cccc(c4)CCC(=O)N(C)CC(=O)N[C@H]3C2)nc(C)n1	ZINC000952863004	1059608028	/nfs/dbraw/zinc/60/80/28/1059608028.db2.gz	AIXLKUVILRSZRM-WUFINQPMSA-N	0	0	557.651	3.206	50	0		KGAARN
CCc1ncc(CN2C[C@@H]3NC(=O)CCNC(=O)CCc4ccc(cc4)Oc4cccc(c4)CO[C@H]3C2)cn1	ZINC000952863006	1059608080	/nfs/dbraw/zinc/60/80/80/1059608080.db2.gz	QCQKYHCNQDNQIV-SVBPBHIXSA-N	0	0	529.641	3.170	50	0		KGAARN
COCCOc1cc2cc(c1)C(=O)NCCNC(=O)N[C@H]1CCN(C(=O)c3ncccc3C)C[C@@H]1OCc1cccc(c1)O2	ZINC000952863025	1059607996	/nfs/dbraw/zinc/60/79/96/1059607996.db2.gz	QKYHYPAMJBIFME-NSOVKSMOSA-N	0	0	603.676	3.050	50	0		KGAARN
O=C(c1cn2cc(Cl)cnc2n1)N1CC[C@@H]2OCc3cccc(c3)Oc3cncc(c3)C(=O)NCCCC(=O)N[C@H]2C1	ZINC000952863027	1059608148	/nfs/dbraw/zinc/60/81/48/1059608148.db2.gz	QPFLHZLZEOMOAD-ZCYQVOJMSA-N	0	0	590.040	3.010	50	0		KGAARN
O=C1CN(C2CC2)Cc2cccc(c2)Oc2cccc(c2)CO[C@H]2CN(C(=O)C3CCOCC3)C[C@@H]2N1	ZINC000952863038	1059607976	/nfs/dbraw/zinc/60/79/76/1059607976.db2.gz	APKUWELCGAMHFM-SVBPBHIXSA-N	0	0	505.615	3.096	50	0		KGAARN
CCN1CC(=O)N[C@H]2CN(C(=O)c3cn[nH]c3)CC[C@@H]2OCc2cccc(c2)Oc2cc(OC(C)C)cc(c2)C1=O	ZINC000952863045	1059608130	/nfs/dbraw/zinc/60/81/30/1059608130.db2.gz	ASGGMMSZFYVHEZ-SVBPBHIXSA-N	0	0	561.639	3.381	50	0		KGAARN
O=C(c1cccc(-n2cccn2)c1)N1CCC2(Cc3cn(nn3)CCCOc3ccc(cc3)CCNC2=O)CC1	ZINC000952863066	1059609401	/nfs/dbraw/zinc/60/94/01/1059609401.db2.gz	RVNCMHNBKCKZCT-UHFFFAOYSA-N	0	0	539.640	3.070	50	0		KGAARN
CCCNc1ncc(CN2C[C@@H]3NC(=O)CN(C)C(=O)c4ccc(C)c(c4)Oc4cccc(c4)CO[C@H]3C2)cn1	ZINC000952863072	1059609344	/nfs/dbraw/zinc/60/93/44/1059609344.db2.gz	BFLSGRCRFDCVSI-BDYUSTAISA-N	0	0	544.656	3.371	50	0		KGAARN
COc1cccc2c1OCCCn1cc(nn1)CCN(Cc1ccc(C)o1)CCNC(=O)[C@H](Cc1ccccc1)NC2=O	ZINC000952863077	1059609276	/nfs/dbraw/zinc/60/92/76/1059609276.db2.gz	FFLHERUIFRTPPW-NDEPHWFRSA-N	0	0	586.693	3.173	50	0		KGAARN
Cn1nc2c(c1C(=O)N1CCc3cc4ccc3[C@H]1c1cccc(c1)OCCCNC(=O)CO4)CCCC2	ZINC000952863108	1059609332	/nfs/dbraw/zinc/60/93/32/1059609332.db2.gz	FNIVMRSKCKXQJC-HHHXNRCGSA-N	0	0	500.599	3.364	50	0		KGAARN
COc1ccc2cc1OCC(=O)N[C@@H](C)C(=O)N(C)CCCCN(C(=O)Cc1ccc(F)cc1Cl)CCCNC(=O)CC2	ZINC000952863112	1059609315	/nfs/dbraw/zinc/60/93/15/1059609315.db2.gz	FOHROOCICGXHFI-NRFANRHFSA-N	0	0	619.134	3.134	50	0		KGAARN
COCCN1CC(=O)N[C@H]2CN(C(=O)CCc3ccncc3)C[C@@H]2OCc2cccc(c2)Oc2cc(ccc2OC)CCC1=O	ZINC000952863114	1059609260	/nfs/dbraw/zinc/60/92/60/1059609260.db2.gz	SRSQWSSRWCRWCN-IZEXYCQBSA-N	0	0	616.715	3.149	50	0		KGAARN
CCc1ncc(CN2C[C@@H]3NC(=O)CN(C)C(=O)c4ccc(C)c(c4)Oc4cccc(c4)CO[C@H]3C2)cn1	ZINC000952863118	1059609240	/nfs/dbraw/zinc/60/92/40/1059609240.db2.gz	BNWJJFGLBMVPKF-AHWVRZQESA-N	0	0	515.614	3.111	50	0		KGAARN
COCCOc1cc2cc(c1)C(=O)NCCNC(=O)N[C@H]1CCN(C(=O)c3ncoc3C3CC3)C[C@@H]1OCc1cccc(c1)O2	ZINC000952863126	1059609389	/nfs/dbraw/zinc/60/93/89/1059609389.db2.gz	FYULACIPQAURGH-SVBPBHIXSA-N	0	0	619.675	3.212	50	0		KGAARN
COc1cccc2c1OCCCn1cc(nn1)CCN(Cc1cc(C(C)(C)C)n[nH]1)CCNC(=O)[C@H](Cc1ccccc1)NC2=O	ZINC000952863148	1059609413	/nfs/dbraw/zinc/60/94/13/1059609413.db2.gz	TXHDQPIKIARJJU-NDEPHWFRSA-N	0	0	628.778	3.292	50	0		KGAARN
Cc1ccc2cc1Oc1cccc(c1)CO[C@@H]1CCN(C(=O)c3cc(C(C)C)n4ncnc4n3)C[C@@H]1NC(=O)CN(C)C2=O	ZINC000952863155	1059610209	/nfs/dbraw/zinc/61/02/09/1059610209.db2.gz	GJJPWHFATNUXBA-AHKZPQOWSA-N	0	0	597.676	3.350	50	0		KGAARN
COCCOc1cc2cc(c1)C(=O)NCCNC(=O)N[C@H]1CC[N@H+](Cc3ccc(C(=O)[O-])cc3)C[C@@H]1OCc1cccc(c1)O2	ZINC000952863160	1059610074	/nfs/dbraw/zinc/61/00/74/1059610074.db2.gz	GEHYWPOCOSVFAP-KYJUHHDHSA-N	0	0	618.687	3.405	50	0		KGAARN
COc1ccc2cc1OCC(=O)N[C@@H](C)C(=O)N(C)CCCCN(C(=O)CCCOCc1ccccc1)CCCNC(=O)CC2	ZINC000952863161	1059610056	/nfs/dbraw/zinc/61/00/56/1059610056.db2.gz	UEKUYDOTUSFVCN-SANMLTNESA-N	0	0	624.779	3.095	50	0		KGAARN
COCCOc1cc2cc(c1)C(=O)NCCNC(=O)N[C@H]1CCN(C(=O)c3cc(Cl)c[nH]3)C[C@@H]1OCc1cccc(c1)O2	ZINC000952863162	1059610189	/nfs/dbraw/zinc/61/01/89/1059610189.db2.gz	GFAGEAAMAPULKP-BDYUSTAISA-N	0	0	612.083	3.328	50	0		KGAARN
COc1cc2ccc1OCC(=O)N[C@@H](C)C(=O)N(C)CCCCN(C(=O)CCCc1c[nH]c3ccccc13)CCCNC2=O	ZINC000952863190	1059610134	/nfs/dbraw/zinc/61/01/34/1059610134.db2.gz	GWVVWYIWZILUEV-QHCPKHFHSA-N	0	0	605.736	3.284	50	0		KGAARN
O=C1CN(CCCO)C(=O)CCc2ccc(cc2)Oc2cccc(c2)CO[C@H]2CCN(Cc3cccnc3)C[C@@H]2N1	ZINC000952863198	1059610159	/nfs/dbraw/zinc/61/01/59/1059610159.db2.gz	URVATMIJOFPOTG-KYJUHHDHSA-N	0	0	558.679	3.307	50	0		KGAARN
Cc1cnc2c(C(=O)N3CC[C@H]4OCc5cccc(c5)Oc5cccc(c5)CCC(=O)N(C)CC(=O)N[C@H]4C3)cnn2c1	ZINC000952863199	1059610037	/nfs/dbraw/zinc/61/00/37/1059610037.db2.gz	SUJCNWRPZWBWBL-WUFINQPMSA-N	0	0	582.661	3.151	50	0		KGAARN
COCCN1CC(=O)N[C@H]2CN(C(=O)c3ccc4c(c3)OCCO4)C[C@@H]2OCc2cccc(c2)Oc2cc(ccc2OC)CCC1=O	ZINC000952863201	1059610241	/nfs/dbraw/zinc/61/02/41/1059610241.db2.gz	GYNXCDLSEQSPKA-UCGGBYDDSA-N	0	0	645.709	3.206	50	0		KGAARN
CCOc1cc2cc(c1)C(=O)N(C)CC(=O)N[C@H]1CN(C(=O)Cn3nc(C)cc3C)CC[C@H]1OCc1cccc(c1)O2	ZINC000952863223	1059610117	/nfs/dbraw/zinc/61/01/17/1059610117.db2.gz	UDQLUEJIRKBWQI-WUFINQPMSA-N	0	0	575.666	3.079	50	0		KGAARN
COc1cc2ccc1Oc1cccc(c1)CO[C@H]1CN(C(=O)c3ccc(=O)[nH]c3)C[C@@H]1NC(=O)CN(C1CC1)C(=O)CC2	ZINC000952863232	1059611218	/nfs/dbraw/zinc/61/12/18/1059611218.db2.gz	HEKSQRJNEWKFGV-LSYYVWMOSA-N	0	0	586.645	3.051	50	0		KGAARN
CC(C)c1nc(C(=O)N2C[C@@H]3NC(=O)c4ccc(Cl)c(c4)OCCCn4cc(nn4)CO[C@H]3C2)cs1	ZINC000952863237	1059611292	/nfs/dbraw/zinc/61/12/92/1059611292.db2.gz	VCKJFENKWYUURM-RXVVDRJESA-N	0	0	531.038	3.134	50	0		KGAARN
COc1ccccc1-c1ccc(C(=O)N[C@H]2C[C@H]3C(=O)N[C@@H](C)C(=O)N[C@H](c4ccccc4)CC(=O)N[C@@H](CCSC)C(=O)N[C@@H](C(C)C)C(=O)N3C2)cc1	ZINC000952863243	1059611282	/nfs/dbraw/zinc/61/12/82/1059611282.db2.gz	CYRVKVFXCBKKNI-YWWHPSCUSA-N	0	0	770.953	3.206	50	0		KGAARN
CCN1CC(=O)N[C@H]2CN(C(=O)CCc3ccc(=O)[nH]n3)CC[C@@H]2OCc2cccc(c2)Oc2cc(OC(C)C)cc(c2)C1=O	ZINC000952863257	1059611224	/nfs/dbraw/zinc/61/12/24/1059611224.db2.gz	UJXOZFNADFGYOY-VMPREFPWSA-N	0	0	617.703	3.473	50	0		KGAARN
Cc1ccc2cc1Oc1cccc(c1)CO[C@@H]1CCN(C(=O)c3ccco3)C[C@@H]1NC(=O)CN(C)C2=O	ZINC000952863269	1059611232	/nfs/dbraw/zinc/61/12/32/1059611232.db2.gz	HKZHJFQEMINPSQ-XZOQPEGZSA-N	0	0	503.555	3.382	50	0		KGAARN
COc1ccc2cc1OCCCn1cc(nn1)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC1CCCCC1)NC2=O	ZINC000952863299	1059611208	/nfs/dbraw/zinc/61/12/08/1059611208.db2.gz	DKSXCVOEVKQSNH-SVBPBHIXSA-N	0	0	588.709	3.182	50	0		KGAARN
CC(C)[C@@H]1NC(=O)[C@@H]2C[C@@H](CN2C(=O)c2csc(-c3ccc(C(F)(F)F)cc3)n2)n2cc(nn2)CNC(=O)[C@@H](Cc2ccccc2)NC1=O	ZINC000952863329	1059611273	/nfs/dbraw/zinc/61/12/73/1059611273.db2.gz	VFOASYIGTGDFHJ-FLABLRJTSA-N	0	0	694.740	3.374	50	0		KGAARN
COCCCN1CC(=O)N[C@H]2CN(C(=O)Cc3cc(C)no3)CC[C@H]2OCc2cccc(c2)Oc2ccc(cc2OC)CCC1=O	ZINC000952863350	1059611193	/nfs/dbraw/zinc/61/11/93/1059611193.db2.gz	VMIXXWQXBYVPRK-URLMMPGGSA-N	0	0	634.730	3.440	50	0		KGAARN
COc1ccc(-c2cccc(C(=O)N3CCNC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](C)N(C)C(=O)[C@H](CC(C)C)NC(=O)C3)c2)cc1	ZINC000952863375	1059611264	/nfs/dbraw/zinc/61/12/64/1059611264.db2.gz	ILFRVZUTNZLEAN-OATBXSGESA-N	0	0	655.796	3.040	50	0		KGAARN
Cc1occc1C(=O)N1CC[C@@H]2OCc3cccc(c3)Oc3ccc(cc3)CCC(=O)N(CCCO)CC(=O)N[C@H]2C1	ZINC000952863380	1059612142	/nfs/dbraw/zinc/61/21/42/1059612142.db2.gz	IQVWJMSKCGESLS-VMPREFPWSA-N	0	0	575.662	3.454	50	0		KGAARN
COCCCN1CC(=O)N[C@H]2CN(C(=O)C(C)(C)OC)CC[C@H]2OCc2cccc(c2)Oc2ccc(cc2OC)CCC1=O	ZINC000952863387	1059612097	/nfs/dbraw/zinc/61/20/97/1059612097.db2.gz	IMGAOEFQCCSMHT-RRPNLBNLSA-N	0	0	611.736	3.326	50	0		KGAARN
CCOc1cc2cc(c1)C(=O)N(C)CC(=O)N[C@H]1CN(C(=O)CCN3CCCCCC3=O)CC[C@H]1OCc1cccc(c1)O2	ZINC000952863407	1059612162	/nfs/dbraw/zinc/61/21/62/1059612162.db2.gz	FPJKCNYXAMPGCA-URLMMPGGSA-N	0	0	606.720	3.358	50	0		KGAARN
COCCCN1CC(=O)N[C@H]2CN(C(=O)c3cc(C)nn3C)CC[C@H]2OCc2cccc(c2)Oc2ccc(cc2OC)CCC1=O	ZINC000952863426	1059612081	/nfs/dbraw/zinc/61/20/81/1059612081.db2.gz	JCKFHSKRBKGGPB-LMSSTIIKSA-N	0	0	633.746	3.257	50	0		KGAARN
Cc1ccc(-c2cc(C(=O)N3CCNC(=O)[C@@H](CC(C)C)NC(=O)c4cc(F)ccc4OCCn4cc(nn4)CC3)[nH]n2)s1	ZINC000952863439	1059612001	/nfs/dbraw/zinc/61/20/01/1059612001.db2.gz	VWBOSJVTHRHDQR-XMMPIXPASA-N	0	0	622.727	3.215	50	0		KGAARN
COCCCN1CC(=O)N[C@H]2CN(C(=O)C3CC3)CC[C@H]2OCc2cccc(c2)Oc2cc(ccc2OC)C1	ZINC000952863442	1059612128	/nfs/dbraw/zinc/61/21/28/1059612128.db2.gz	ATDKDXULRDBQQF-IZZNHLLZSA-N	0	0	537.657	3.352	50	0		KGAARN
Cc1nccn1CCCC(=O)N1C[C@@H]2NC(=O)CN(C)C(=O)c3ccc(C)c(c3)Oc3cccc(c3)CO[C@H]2C1	ZINC000952863445	1059612047	/nfs/dbraw/zinc/61/20/47/1059612047.db2.gz	VZJHFSYHGVTIGZ-BDYUSTAISA-N	0	0	545.640	3.070	50	0		KGAARN
COCCCN1CC(=O)N[C@H]2CN(C(=O)c3ccc[nH]c3=O)CC[C@H]2OCc2cccc(c2)Oc2cc(ccc2OC)C1	ZINC000952863446	1059612110	/nfs/dbraw/zinc/61/21/10/1059612110.db2.gz	AVNPQEXZPAGYQP-RRPNLBNLSA-N	0	0	590.677	3.356	50	0		KGAARN
COc1cc2ccc1Oc1cccc(c1)CO[C@H]1CN(C(=O)c3ccc(O)cn3)C[C@@H]1NC(=O)CN(C1CC1)C(=O)CC2	ZINC000952863453	1059613280	/nfs/dbraw/zinc/61/32/80/1059613280.db2.gz	PCDGSCFIYYMVQA-WNJJXGMVSA-N	0	0	586.645	3.051	50	0		KGAARN
CSCc1ccc(C(=O)N2CCC3(Cc4cn(nn4)CCCOc4ccc(cc4)CCNC3=O)CC2)o1	ZINC000952863463	1059613302	/nfs/dbraw/zinc/61/33/02/1059613302.db2.gz	PGCMJKNLSJDLHT-UHFFFAOYSA-N	0	0	523.659	3.341	50	0		KGAARN
COc1ccccc1-c1noc(CCC(=O)N2CCCN(C(C)=O)[C@@H](c3ccccc3)CC(=O)NCC2)n1	ZINC000952863471	1059613354	/nfs/dbraw/zinc/61/33/54/1059613354.db2.gz	JTQVWMMXAVZLOE-HSZRJFAPSA-N	0	0	519.602	3.006	50	0		KGAARN
COc1ccccc1-c1noc(CCC(=O)N2CCCN(C(C)=O)[C@H](c3ccccc3)CC(=O)NCC2)n1	ZINC000952863473	1059613418	/nfs/dbraw/zinc/61/34/18/1059613418.db2.gz	JTQVWMMXAVZLOE-QHCPKHFHSA-N	0	0	519.602	3.006	50	0		KGAARN
COCCN1CC(=O)N[C@H]2CN(C(=O)c3c(C)noc3C)C[C@@H]2OCc2cccc(c2)Oc2cc(ccc2OC)CCC1=O	ZINC000952863518	1059581712	/nfs/dbraw/zinc/58/17/12/1059581712.db2.gz	KJVRZAQPHAQIJT-LSYYVWMOSA-N	0	0	606.676	3.040	50	0		KGAARN
COc1ccc2cc1OCc1cn(nn1)CCCN(C(=O)c1cc3cccc(C)c3nc1C)CCCCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](CC(C)C)NC2=O	ZINC000952863538	1059581768	/nfs/dbraw/zinc/58/17/68/1059581768.db2.gz	ARFJPJZQTAGKLA-QPOMBEFOSA-N	0	0	756.905	3.483	50	0		KGAARN
CC(=O)N1CCC(C(=O)N2CC[C@]34c5ccccc5N(Cc5cn(nn5)CCCOc5cccc(c5)[C@H]23)C4=O)CC1	ZINC000952863545	1059581791	/nfs/dbraw/zinc/58/17/91/1059581791.db2.gz	BOPRDOOVDBXHCJ-IZEXYCQBSA-N	0	0	554.651	3.077	50	0		KGAARN
CCOCC(=O)N1CC[C@@H]2OCc3cccc(c3)Oc3cc(OC(C)C)cc(c3)C(=O)N(CC)CC(=O)N[C@H]2C1	ZINC000952863554	1059581609	/nfs/dbraw/zinc/58/16/09/1059581609.db2.gz	BQXYJKRNRODEFO-SVBPBHIXSA-N	0	0	553.656	3.381	50	0		KGAARN
COc1cc2ccc1Oc1cccc(c1)CO[C@H]1CN(C(=O)CN3CCCCCC3=O)C[C@@H]1NC(=O)CN(C1CC1)C(=O)CC2	ZINC000952863564	1059581635	/nfs/dbraw/zinc/58/16/35/1059581635.db2.gz	QFLJLPBETVCINK-FIBWVYCGSA-N	0	0	618.731	3.040	50	0		KGAARN
Cc1n[nH]c(CCC(=O)N2C[C@@H]3NC(=O)CN(C)C(=O)c4ccc(C)c(c4)Oc4cccc(c4)CO[C@H]3C2)c1C	ZINC000952863614	1059582379	/nfs/dbraw/zinc/58/23/79/1059582379.db2.gz	CRAWDGOISJCPRT-BDYUSTAISA-N	0	0	545.640	3.058	50	0		KGAARN
CC(C)OCC(=O)N1CC[C@@]23c4ccccc4N(Cc4cn(nn4)CCCOc4cccc(c4)[C@H]12)C3=O	ZINC000952863615	1059582269	/nfs/dbraw/zinc/58/22/69/1059582269.db2.gz	BJRWFFJYAKHVPD-XTEPFMGCSA-N	0	0	501.587	3.244	50	0		KGAARN
COc1cccc2c1OCCCn1cc(nn1)CCN(C(=O)c1ccc(CSC)o1)CCNC(=O)[C@H](Cc1ccccc1)NC2=O	ZINC000952863621	1059582251	/nfs/dbraw/zinc/58/22/51/1059582251.db2.gz	XUIDCWNHHJDFIB-MHZLTWQESA-N	0	0	646.770	3.368	50	0		KGAARN
O=C(Cc1cccnc1)N1CC[C@]23c4ccccc4N(Cc4cn(nn4)CCCOc4cccc(c4)[C@H]12)C3=O	ZINC000952863639	1059585879	/nfs/dbraw/zinc/58/58/79/1059585879.db2.gz	RDIUKVXWOOCZLL-JDXGNMNLSA-N	0	0	520.593	3.457	50	0		KGAARN
COc1ncccc1C(=O)N1C[C@@H]2NC(=O)CN(C3CC3)Cc3cccc(c3)Oc3cccc(c3)CO[C@H]2C1	ZINC000952863683	1059596289	/nfs/dbraw/zinc/59/62/89/1059596289.db2.gz	BXNCTQGQVXOMKD-SVBPBHIXSA-N	0	0	528.609	3.387	50	0		KGAARN
Cc1ccc2oc(=O)n(CCC(=O)N3CC[C@@H]4OCc5cccc(c5)Oc5cncc(c5)C(=O)NCCCC(=O)N[C@H]4C3)c2c1	ZINC000952863687	1059596393	/nfs/dbraw/zinc/59/63/93/1059596393.db2.gz	RXZHPIVFONHBHL-XCZPVHLTSA-N	0	0	613.671	3.306	50	0		KGAARN
COc1ccc2cc1Oc1cccc(c1)CO[C@H]1CCN(Cc3cnn(C(C)C)c3)C[C@@H]1NC(=O)CN(CCCO)C2=O	ZINC000952863694	1059597009	/nfs/dbraw/zinc/59/70/09/1059597009.db2.gz	CAAGWFINAIYQNM-NSOVKSMOSA-N	0	0	591.709	3.379	50	0		KGAARN
CC1(C(=O)N2CC[C@@H]3OCc4cccc(c4)Oc4ccc(cc4)CCC(=O)N(CCCO)CC(=O)N[C@H]3C2)CC1	ZINC000952863701	1059606073	/nfs/dbraw/zinc/60/60/73/1059606073.db2.gz	FAHGNCPPNONEQD-SVBPBHIXSA-N	0	0	549.668	3.039	50	0		KGAARN
COc1cc2cc(c1)C(=O)NCCCC(=O)N[C@H]1CN(Cc3c(C)nn(CCO)c3C)CC[C@@H]1OCc1cccc(c1)O2	ZINC000952863710	1059611244	/nfs/dbraw/zinc/61/12/44/1059611244.db2.gz	FIWLPIQSQQIXPF-KYJUHHDHSA-N	0	0	591.709	3.093	50	0		KGAARN
CCCc1nc(C(=O)N2CCC3(Cc4cn(nn4)CCCOc4ccc(cc4)CCNC3=O)CC2)cs1	ZINC000952863728	1059619707	/nfs/dbraw/zinc/61/97/07/1059619707.db2.gz	CIZRVMIZNZJUNL-UHFFFAOYSA-N	0	0	522.675	3.294	50	0		KGAARN
CC(=O)c1c(C)nn(CC(=O)N2C[C@@H]3NC(=O)CN(C4CC4)Cc4cccc(c4)Oc4cccc(c4)CO[C@H]3C2)c1C	ZINC000952863737	1059619744	/nfs/dbraw/zinc/61/97/44/1059619744.db2.gz	SCWKNVZUSOLYMQ-VMPREFPWSA-N	0	0	571.678	3.385	50	0		KGAARN
COCCCN1CC(=O)N[C@H]2CN(C(=O)C3CCOCC3)CC[C@H]2OCc2cccc(c2)Oc2cc(ccc2OC)C1	ZINC000952863752	1059619732	/nfs/dbraw/zinc/61/97/32/1059619732.db2.gz	YHNZVUPWXFOAEZ-WUFINQPMSA-N	0	0	581.710	3.369	50	0		KGAARN
NC(=O)CN1CCC(C(=O)N2CCc3cc4ccc3[C@H]2c2cccc(c2)OCCCNC(=O)c2cc(ccc2O)O4)CC1	ZINC000952863782	1059619619	/nfs/dbraw/zinc/61/96/19/1059619619.db2.gz	SPTGIOLKNDQVTK-WJOKGBTCSA-N	0	0	584.673	3.368	50	0		KGAARN
Cc1[nH]c2ccccc2c1CC(=O)N1CCNC(=O)[C@@H](CC(C)C)NC(=O)c2cc(F)ccc2OCCn2cc(nn2)CC1	ZINC000952863791	1059619724	/nfs/dbraw/zinc/61/97/24/1059619724.db2.gz	GISGGJVUTAWMEN-MUUNZHRXSA-N	0	0	603.699	3.174	50	0		KGAARN
CCOc1ccc(C(=O)N2CC[C@@H]3NC(=O)NCCNC(=O)c4cc(OCCOC)cc(c4)Oc4cccc(c4)CO[C@H]3C2)o1	ZINC000952863807	1059619700	/nfs/dbraw/zinc/61/97/00/1059619700.db2.gz	DEVRHQFLNXDPBE-XCZPVHLTSA-N	0	0	622.675	3.338	50	0		KGAARN
Cc1cnc(C)c(N2C[C@@H]3NC(=O)CCNC(=O)CCc4ccc(cc4)Oc4cccc(c4)CO[C@H]3C2)n1	ZINC000952863820	1059619686	/nfs/dbraw/zinc/61/96/86/1059619686.db2.gz	YNNSSPIABPNAOB-UIOOFZCWSA-N	0	0	515.614	3.228	50	0		KGAARN
Cc1cc(C(=O)N2CC[C@@]34c5ccccc5N(CC(=O)N(C)CCCOc5cccc(c5)[C@H]23)C4=O)no1	ZINC000952863826	1059620820	/nfs/dbraw/zinc/62/08/20/1059620820.db2.gz	GSYWVVBYCPSRFX-LBNVMWSVSA-N	0	0	500.555	3.096	50	0		KGAARN
CCN1CC(=O)N[C@H]2CN(C(=O)c3nn(C)c(C)c3Cl)CC[C@@H]2OCc2cccc(c2)Oc2cccc(c2)CC1=O	ZINC000952863840	1059621032	/nfs/dbraw/zinc/62/10/32/1059621032.db2.gz	YVIOCRURENIMFO-DQEYMECFSA-N	0	0	580.085	3.495	50	0		KGAARN
Cc1cc(CN2CC[C@H]3OCc4cccc(c4)Oc4cc(ccc4C)C(=O)N(C)CC(=O)N[C@H]3C2)on1	ZINC000952863841	1059620988	/nfs/dbraw/zinc/62/09/88/1059620988.db2.gz	TYHRYRHDFXBKTI-LOSJGSFVSA-N	0	0	504.587	3.445	50	0		KGAARN
C[C@H]1C(=O)N[C@@H](Cc2ccccc2)C(=O)NCCN(C(=O)c2ccc(C(C)(C)C)cc2)CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N1C	ZINC000952863844	1059620946	/nfs/dbraw/zinc/62/09/46/1059620946.db2.gz	GLQNCLGUSOQFEO-OLFOKHSRSA-N	0	0	678.834	3.339	50	0		KGAARN
COc1ccc2cc1Oc1cccc(c1)CO[C@H]1CN(C(=O)CCn3nc(C)c(C(C)=O)c3C)C[C@@H]1NC(=O)CN(C)C2	ZINC000952863851	1059620862	/nfs/dbraw/zinc/62/08/62/1059620862.db2.gz	JBDNSHUMXGLTRY-WNJJXGMVSA-N	0	0	589.693	3.251	50	0		KGAARN
O=C([O-])[C@@H]1Cc2ccc(cc2)Oc2cccc(c2)CC2(CCN(C(=O)C[NH+]3CCCCCC3)CC2)C(=O)NCCC(=O)N1	ZINC000952863860	1059620836	/nfs/dbraw/zinc/62/08/36/1059620836.db2.gz	VTGAIACLSLSTTL-NDEPHWFRSA-N	0	0	590.721	3.138	50	0		KGAARN
Cc1[nH]c2c(cc(C)cc2C)c1CC(=O)N1CCCCN(C)C(=O)[C@H](C)NC(=O)COc2cc(O)cc(c2)C(=O)NCCC1	ZINC000952863866	1059620888	/nfs/dbraw/zinc/62/08/88/1059620888.db2.gz	VYUSECWOLOVDJS-QHCPKHFHSA-N	0	0	605.736	3.126	50	0		KGAARN
CCOc1cc2cc(c1)C(=O)N(C)CC(=O)N[C@H]1CN(C(=O)c3ccc4c(c3)ncn4CCO)CC[C@H]1OCc1cccc(c1)O2	ZINC000952863871	1059620962	/nfs/dbraw/zinc/62/09/62/1059620962.db2.gz	VZPCGFKRUGTZKI-IGYGKHONSA-N	0	0	627.698	3.221	50	0		KGAARN
CCCc1cc(C(=O)N2CC[C@H]3OCc4cccc(c4)Oc4cc(ccc4C)C(=O)N(C)CC(=O)N[C@H]3C2)[nH]n1	ZINC000952863887	1059622002	/nfs/dbraw/zinc/62/20/02/1059622002.db2.gz	ZGLJLUJUNKFRMJ-IZZNHLLZSA-N	0	0	545.640	3.465	50	0		KGAARN
CCCc1nc(N2C[C@@H]3NC(=O)CN(CCOC)C(=O)CCc4ccc(OC)c(c4)Oc4cccc(c4)CO[C@H]3C2)no1	ZINC000952863890	1059621990	/nfs/dbraw/zinc/62/19/90/1059621990.db2.gz	GRZLNNWWKZJHEB-IGKIAQTJSA-N	0	0	593.681	3.134	50	0		KGAARN
CCc1[nH]nc(C(=O)N2CC[C@H]3OCc4cccc(c4)Oc4cccc(c4)CCC(=O)N(C)CC(=O)N[C@H]3C2)c1C	ZINC000952863892	1059621963	/nfs/dbraw/zinc/62/19/63/1059621963.db2.gz	JKHPNDWXTQLONI-RRPNLBNLSA-N	0	0	559.667	3.394	50	0		KGAARN
COc1cccc2c1OCCCn1cc(nn1)CCN(Cc1sc(N(C)C)nc1Cl)CCNC(=O)[C@H](Cc1ccccc1)NC2=O	ZINC000952863896	1059622092	/nfs/dbraw/zinc/62/20/92/1059622092.db2.gz	UBHLHXKWFPQGCS-VWLOTQADSA-N	0	0	667.236	3.447	50	0		KGAARN
COc1ccc2cc1O[C@H]1C[C@@H](C(=O)NCCCCN(C(=O)c3cc(C)oc3C)CCCNC2=O)N(C(=O)Cc2csc(C)n2)C1	ZINC000952863929	1059621947	/nfs/dbraw/zinc/62/19/47/1059621947.db2.gz	JSQWTISRVNQULS-BDYUSTAISA-N	0	0	651.786	3.433	50	0		KGAARN
COCCN1CC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]2CN(C(=O)c3cc4cc(OC)ccc4[nH]3)C[C@H]2c2cccc(c2)OCC(=O)N[C@H](CC(C)C)C1=O	ZINC000952863930	1059621978	/nfs/dbraw/zinc/62/19/78/1059621978.db2.gz	UDLSNYGOGZPBLX-IQGBPRKQSA-N	0	0	766.896	3.027	50	0		KGAARN
Cc1ocnc1C(=O)N1CC[C@H]2OCc3cccc(c3)Oc3cccc(c3)CCC(=O)N(C)CC(=O)N[C@H]2C1	ZINC000952863938	1059622072	/nfs/dbraw/zinc/62/20/72/1059622072.db2.gz	DYSYBFUHMJAZOQ-LOSJGSFVSA-N	0	0	532.597	3.096	50	0		KGAARN
COc1ccc2cc1Oc1cccc(c1)CO[C@H]1CN(C(=O)c3cc(CC(C)C)nn3C)C[C@@H]1NC(=O)CN(C)C2	ZINC000952863948	1059622081	/nfs/dbraw/zinc/62/20/81/1059622081.db2.gz	UFPPCHLFDYPIPX-SVEHJYQDSA-N	0	0	561.683	3.391	50	0		KGAARN
CCOc1cc2cc(c1)C(=O)N(C)CC(=O)N[C@H]1CN(C(=O)c3cccnc3)CC[C@H]1OCc1cccc(c1)O2	ZINC000952863957	1059622718	/nfs/dbraw/zinc/62/27/18/1059622718.db2.gz	UIXBAZGJKKQBFW-RRPNLBNLSA-N	0	0	544.608	3.274	50	0		KGAARN
CCOc1cc2cc(c1)C(=O)N(C)CC(=O)N[C@H]1CN(C(=O)c3ccoc3)CC[C@H]1OCc1cccc(c1)O2	ZINC000952863975	1059622745	/nfs/dbraw/zinc/62/27/45/1059622745.db2.gz	FFKLDRNGLWEJFX-IZZNHLLZSA-N	0	0	533.581	3.472	50	0		KGAARN
Cc1cc(C(=O)N2CC[C@H]3OCc4cccc(c4)Oc4cccc(c4)CCC(=O)N(C)CC(=O)N[C@H]3C2)cc(=O)[nH]1	ZINC000952863977	1059622673	/nfs/dbraw/zinc/62/26/73/1059622673.db2.gz	HDSFUEULIVMKGP-RRPNLBNLSA-N	0	0	558.635	3.209	50	0		KGAARN
Cc1nccc(C(=O)N2CC[C@@]34c5ccccc5N(Cc5cn(nn5)CCCOc5cccc(c5)[C@H]23)C4=O)n1	ZINC000952863988	1059622645	/nfs/dbraw/zinc/62/26/45/1059622645.db2.gz	HEHJMXBHNQXRGB-LITSAYRRSA-N	0	0	521.581	3.231	50	0		KGAARN
COCCN1CC(=O)N[C@H]2CN(Cc3ccncc3)C[C@@H]2OCc2cccc(c2)Oc2cc(ccc2OC)CCC1=O	ZINC000952864000	1059622819	/nfs/dbraw/zinc/62/28/19/1059622819.db2.gz	HGEYCLKOSIYKDD-FIBWVYCGSA-N	0	0	574.678	3.190	50	0		KGAARN
O=C(c1ncccc1O)N1CC[C@@]23C(=O)N(Cc4cn(nn4)CCCOc4cccc(c4)[C@H]12)c1ccccc13	ZINC000952864007	1059622793	/nfs/dbraw/zinc/62/27/93/1059622793.db2.gz	KFXGNEPXYHNDST-WNJJXGMVSA-N	0	0	522.565	3.233	50	0		KGAARN
Cc1ccc2cc1Oc1cccc(c1)CO[C@@H]1CCN(Cc3nc(C4CC4)no3)C[C@@H]1NC(=O)CN(C)C2=O	ZINC000952864008	1059622779	/nfs/dbraw/zinc/62/27/79/1059622779.db2.gz	WYBXABCZYVOHCZ-BJKOFHAPSA-N	0	0	531.613	3.409	50	0		KGAARN
COc1ccc2cc1OCC(=O)N[C@@H](C)C(=O)N(C)CCCCN(C(=O)c1ccc3cccc(F)c3n1)CCCNC(=O)CC2	ZINC000952864010	1059622731	/nfs/dbraw/zinc/62/27/31/1059622731.db2.gz	KLRARVHIDDNOFX-QFIPXVFZSA-N	0	0	621.710	3.100	50	0		KGAARN
CC(=O)c1c(C)nn(CC(=O)N2CC[C@H]3OCc4cccc(c4)Oc4cc(ccc4C)C(=O)N(C)CC(=O)N[C@H]3C2)c1C	ZINC000952864012	1059622766	/nfs/dbraw/zinc/62/27/66/1059622766.db2.gz	HISMLVCCRYHJOI-RRPNLBNLSA-N	0	0	587.677	3.191	50	0		KGAARN
COc1cccc2c1OCCCn1cc(nn1)CCN(C(=O)c1cc(F)c(OC)c(F)c1)CCNC(=O)[C@H](Cc1ccccc1)NC2=O	ZINC000952864026	1059624171	/nfs/dbraw/zinc/62/41/71/1059624171.db2.gz	XBSPCIRFGHLLFK-NDEPHWFRSA-N	0	0	662.694	3.198	50	0		KGAARN
COc1ccc2cc1Oc1cccc(c1)CO[C@H]1CN(c3nc(C)cc(C)n3)C[C@@H]1NC(=O)CN(C)C2	ZINC000952864038	1059624208	/nfs/dbraw/zinc/62/42/08/1059624208.db2.gz	HQIPZMDISSVIKP-OZXSUGGESA-N	0	0	503.603	3.230	50	0		KGAARN
COCc1noc(CN2CC[C@H]3OCc4cccc(c4)Oc4cc(ccc4OC)CCC(=O)N[C@H]3C2)n1	ZINC000952864078	1059624192	/nfs/dbraw/zinc/62/41/92/1059624192.db2.gz	KZZZXIFEOCQPPW-FCHUYYIVSA-N	0	0	508.575	3.239	50	0		KGAARN
COc1ccc2c(C)c(C(=O)N3CCCCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](CC(C)C)NC(=O)CCc4ccc(c(OC)c4)OCC(=O)NCCC3)oc2c1	ZINC000952864094	1059624237	/nfs/dbraw/zinc/62/42/37/1059624237.db2.gz	XVIPRUBVKHBPFQ-DPGKKZRPSA-N	0	0	765.905	3.025	50	0		KGAARN
O=C1COc2ccc3c(c2)CCN(C(=O)CCCN2CCCCC2=O)[C@H]3c2cccc(c2)OCCCN1	ZINC000952864104	1059624253	/nfs/dbraw/zinc/62/42/53/1059624253.db2.gz	LDXVWZUOJHENAG-LJAQVGFWSA-N	0	0	505.615	3.231	50	0		KGAARN
COc1ccc2cc1Oc1cccc(c1)CO[C@H]1CCN(Cc3c(C)noc3C)C[C@@H]1NC(=O)CN(CCCO)C2=O	ZINC000952864107	1059624116	/nfs/dbraw/zinc/62/41/16/1059624116.db2.gz	LILSFMMBTYXORD-SVBPBHIXSA-N	0	0	578.666	3.206	50	0		KGAARN
Cc1noc(C)c1C(=O)N1CC[C@@H]2OCc3cccc(c3)Oc3ccc(cc3)CCC(=O)N(CCCO)CC(=O)N[C@H]2C1	ZINC000952864127	1059623994	/nfs/dbraw/zinc/62/39/94/1059623994.db2.gz	IJQRQKKEVXWZFR-NSOVKSMOSA-N	0	0	590.677	3.157	50	0		KGAARN
COCCOc1cc2cc(c1)C(=O)NCCNC(=O)N[C@H]1CCN(C(=O)CSCC3CC3)C[C@@H]1OCc1cccc(c1)O2	ZINC000952864146	1059624221	/nfs/dbraw/zinc/62/42/21/1059624221.db2.gz	IQVZZMZOEPUCKW-NSOVKSMOSA-N	0	0	612.749	3.176	50	0		KGAARN
O=C1N[C@H]2CN(C(=O)c3scc4c3CCCC4)C[C@@H]2OCc2cn(nn2)CCCOc2cc1ccc2Cl	ZINC000952864170	1059624037	/nfs/dbraw/zinc/62/40/37/1059624037.db2.gz	YKAXVUYKQRJGFL-GMAHTHKFSA-N	0	0	542.061	3.494	50	0		KGAARN
Cc1nc(CC(=O)N2CC[C@H]3OCc4cccc(c4)Oc4cc(ccc4C)C(=O)N(C)CC(=O)N[C@H]3C2)cs1	ZINC000952864208	1059625148	/nfs/dbraw/zinc/62/51/48/1059625148.db2.gz	MTJOSVKSFCIGNY-LOSJGSFVSA-N	0	0	548.665	3.483	50	0		KGAARN
CCn1cc(Cl)c(C(=O)N2CC[C@@H]3NC(=O)NCCNC(=O)c4cc(OCCOC)cc(c4)Oc4cccc(c4)CO[C@H]3C2)n1	ZINC000952864218	1059625038	/nfs/dbraw/zinc/62/50/38/1059625038.db2.gz	NAALIVZETXAKIB-SVBPBHIXSA-N	0	0	641.125	3.216	50	0		KGAARN
CC(C)COc1cc2cc(c1)C(=O)NCC(=O)N1CCN(Cc3cccnc3)C[C@@H]1C(=O)NCCc1cccc(c1)O2	ZINC000952864227	1059625089	/nfs/dbraw/zinc/62/50/89/1059625089.db2.gz	ZCOZCJNERSBPJM-GDLZYMKVSA-N	0	0	571.678	3.024	50	0		KGAARN
COCCCCCC(=O)N1CC[C@@]23c4ccccc4N(CC(=O)NCCCOc4cccc(c4)[C@H]12)C3=O	ZINC000952864230	1059625065	/nfs/dbraw/zinc/62/50/65/1059625065.db2.gz	ZDPPBJAMOJPBHT-LMSSTIIKSA-N	0	0	505.615	3.350	50	0		KGAARN
CCOc1cc2cc(c1)C(=O)N(C)CC(=O)N[C@H]1CN(C(=O)c3ccc4[nH]c(CO)nc4c3)CC[C@H]1OCc1cccc(c1)O2	ZINC000952864234	1059625099	/nfs/dbraw/zinc/62/50/99/1059625099.db2.gz	ZHRVVSSUXRIUJL-URLMMPGGSA-N	0	0	613.671	3.248	50	0		KGAARN
COCCOc1cc2cc(c1)C(=O)NCCNC(=O)N[C@H]1CCN(C(=O)c3ccc(C)nc3)C[C@@H]1OCc1cccc(c1)O2	ZINC000952864238	1059625112	/nfs/dbraw/zinc/62/51/12/1059625112.db2.gz	ZKELHLSJYXJNIL-VMPREFPWSA-N	0	0	603.676	3.050	50	0		KGAARN
COc1cc2ccc1Oc1cccc(c1)CO[C@H]1CN(C(=O)c3ccc[nH]3)C[C@@H]1NC(=O)CN(C1CC1)C(=O)CC2	ZINC000952864267	1059625078	/nfs/dbraw/zinc/62/50/78/1059625078.db2.gz	MTXGEMXKOMEFAS-LSYYVWMOSA-N	0	0	558.635	3.279	50	0		KGAARN
Cc1noc(C)c1C(=O)N1CC[C@@]23c4ccccc4N(CC(=O)N(C)CCCOc4cccc(c4)[C@H]12)C3=O	ZINC000952864274	1059625053	/nfs/dbraw/zinc/62/50/53/1059625053.db2.gz	JTOGWVPVFLASDQ-LITSAYRRSA-N	0	0	514.582	3.404	50	0		KGAARN
CCN1CC(=O)N[C@H]2CN(C(=O)C3(Cn4ccnc4)CC3)CC[C@@H]2OCc2cccc(c2)Oc2cccc(c2)CC1=O	ZINC000952864275	1059625126	/nfs/dbraw/zinc/62/51/26/1059625126.db2.gz	MXFKCHPEEVAHHN-NSOVKSMOSA-N	0	0	571.678	3.163	50	0		KGAARN
CCc1nnc(CN2CC[C@H]3OCc4cccc(c4)Oc4cc(OCC5CC5)cc(c4)C(=O)NCCC(=O)N[C@H]3C2)[nH]1	ZINC000952864290	1059625015	/nfs/dbraw/zinc/62/50/15/1059625015.db2.gz	NXDQBPKBDWESIS-RRPNLBNLSA-N	0	0	574.682	3.358	50	0		KGAARN
COCCN1C[C@@H](C(=O)N2CCC3(CC2)Cc2cccc(c2)Oc2cccc(c2)CCNC3=O)CCC1=O	ZINC000952864293	1059626060	/nfs/dbraw/zinc/62/60/60/1059626060.db2.gz	NXMPRSXLIMAVBZ-DEOSSOPVSA-N	0	0	519.642	3.188	50	0		KGAARN
COCCN1C[C@H](C(=O)N2CCC3(CC2)Cc2cccc(c2)Oc2cccc(c2)CCNC3=O)CCC1=O	ZINC000952864298	1059626169	/nfs/dbraw/zinc/62/61/69/1059626169.db2.gz	NXMPRSXLIMAVBZ-XMMPIXPASA-N	0	0	519.642	3.188	50	0		KGAARN
COc1ccc2cc1Oc1cccc(c1)CO[C@@H]1CCN(C(=O)c3cnc(N4CCN(C)CC4)nc3C)C[C@@H]1NC(=O)CC2	ZINC000952864311	1059626137	/nfs/dbraw/zinc/62/61/37/1059626137.db2.gz	OEJVTHYQQZIQIH-WUFINQPMSA-N	0	0	600.720	3.200	50	0		KGAARN
CC(C)C[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2cccc(c2)Oc2ccc(cc2)C[C@@H](C(=O)N2CCc3[nH]nc(CO)c3C2)NC1=O	ZINC000952864349	1059626179	/nfs/dbraw/zinc/62/61/79/1059626179.db2.gz	OYZQYKCMWMLVDT-DSPMFFIESA-N	0	0	678.790	3.192	50	0		KGAARN
CCCCc1nc(CN2CCC3(Cc4cn(nn4)CCCOc4ccc(cc4)CCNC3=O)CC2)c[nH]1	ZINC000952864354	1059626238	/nfs/dbraw/zinc/62/62/38/1059626238.db2.gz	FPYPWISBRAEWBO-UHFFFAOYSA-N	0	0	505.667	3.310	50	0		KGAARN
COCCOc1cc2cc(c1)C(=O)NCCNC(=O)N[C@H]1CCN(Cc3ccccn3)C[C@@H]1OCc1cccc(c1)O2	ZINC000952864355	1059626098	/nfs/dbraw/zinc/62/60/98/1059626098.db2.gz	FRBMVYJPTANFET-VMPREFPWSA-N	0	0	575.666	3.101	50	0		KGAARN
COc1ccc2cc1Oc1cccc(c1)CO[C@H]1CN(C(=O)CCc3ccncc3)C[C@@H]1NC(=O)CN(C)C2	ZINC000952864357	1059626040	/nfs/dbraw/zinc/62/60/40/1059626040.db2.gz	FRGKDJNFFLEJSI-LSYYVWMOSA-N	0	0	530.625	3.173	50	0		KGAARN
COc1cc2ccc1OCC(=O)N[C@@H](C)C(=O)N(C)CCCCN(C(=O)c1ccc3sc(C)nc3c1)CCCNC2=O	ZINC000952864364	1059626230	/nfs/dbraw/zinc/62/62/30/1059626230.db2.gz	FVZZUNRVJYCVOY-IBGZPJMESA-N	0	0	595.722	3.011	50	0		KGAARN
COCCOc1cc2cc(c1)C(=O)NCCNC(=O)N[C@H]1CCN(C(=O)c3cc(C(C)C)nn3C)C[C@@H]1OCc1cccc(c1)O2	ZINC000952864384	1059627296	/nfs/dbraw/zinc/62/72/96/1059627296.db2.gz	GDFXRYYXLCUIKJ-FIBWVYCGSA-N	0	0	634.734	3.204	50	0		KGAARN
COc1cc2cc(c1)C(=O)NCCCC(=O)N[C@H]1CN(C(=O)c3cc(C(C)C)n4ncnc4n3)CC[C@@H]1OCc1cccc(c1)O2	ZINC000952864401	1059627308	/nfs/dbraw/zinc/62/73/08/1059627308.db2.gz	VNLJQGABXDYZDS-YTMVLYRLSA-N	0	0	627.702	3.488	50	0		KGAARN
COc1cc2cc(c1)C(=O)NCCCC(=O)N[C@H]1CN(Cc3nnc(C)s3)CC[C@@H]1OCc1cccc(c1)O2	ZINC000952864402	1059627230	/nfs/dbraw/zinc/62/72/30/1059627230.db2.gz	HEVIEUWYPBERKZ-DQEYMECFSA-N	0	0	551.669	3.447	50	0		KGAARN
COCCCN1CC(=O)N[C@H]2CN(C(=O)Cn3ccnc3C)CC[C@H]2OCc2cccc(c2)Oc2cc(ccc2OC)C1	ZINC000952864404	1059627240	/nfs/dbraw/zinc/62/72/40/1059627240.db2.gz	HEXPMLVSBNDJTR-WUFINQPMSA-N	0	0	591.709	3.147	50	0		KGAARN
Cc1nnc(CN2CC[C@H]3OCc4cccc(c4)Oc4cc(ccc4C)C(=O)N(C)CC(=O)N[C@H]3C2)s1	ZINC000952864407	1059627217	/nfs/dbraw/zinc/62/72/17/1059627217.db2.gz	HGGGQWIGTMLLPR-XZOQPEGZSA-N	0	0	521.643	3.309	50	0		KGAARN
CN1CC(=O)N[C@H]2CN(C(=O)c3cccnc3)CC[C@H]2OCc2cccc(c2)Oc2cccc(c2)CCC1=O	ZINC000952864413	1059627169	/nfs/dbraw/zinc/62/71/69/1059627169.db2.gz	HHKMCZSACVYCNY-RRPNLBNLSA-N	0	0	528.609	3.195	50	0		KGAARN
COc1ccc2cc1OCC(=O)N[C@@H](C)C(=O)N(C)CCCCN(C(=O)CC1CCCCC1)CCCNC(=O)CC2	ZINC000952864430	1059627206	/nfs/dbraw/zinc/62/72/06/1059627206.db2.gz	HDDIDVOLQAHOHM-QHCPKHFHSA-N	0	0	572.747	3.069	50	0		KGAARN
COc1cc2cc(c1)C(=O)NCCCC(=O)N[C@H]1CN(Cc3c(C)cnn3C)CC[C@@H]1OCc1cccc(c1)O2	ZINC000952864433	1059627321	/nfs/dbraw/zinc/62/73/21/1059627321.db2.gz	HKPIDULRCYGBEU-XCZPVHLTSA-N	0	0	547.656	3.329	50	0		KGAARN
COc1ccc2cc1OCC(=O)N[C@@H](C)C(=O)N(C)CCCCN(C(=O)Cn1c3ccccc3nc1C(C)C)CCCNC(=O)CC2	ZINC000952864435	1059627188	/nfs/dbraw/zinc/62/71/88/1059627188.db2.gz	HIPJNJGVPJTULL-VWLOTQADSA-N	0	0	648.805	3.272	50	0		KGAARN
COCCOc1cc2cc(c1)C(=O)NCCNC(=O)N[C@H]1CCN(C(=O)c3nc(C)sc3C)C[C@@H]1OCc1cccc(c1)O2	ZINC000952864438	1059628234	/nfs/dbraw/zinc/62/82/34/1059628234.db2.gz	WAIAZIRERKYZMA-SVBPBHIXSA-N	0	0	623.732	3.420	50	0		KGAARN
COCCN1CC(=O)N[C@H]2CN(c3nc(C)cc(C4CCC4)n3)C[C@@H]2OCc2cccc(c2)Oc2cncc(c2)C1=O	ZINC000952864475	1059628269	/nfs/dbraw/zinc/62/82/69/1059628269.db2.gz	WJWQRDBNUSNOAQ-NSOVKSMOSA-N	0	0	572.666	3.232	50	0		KGAARN
COCCCN1CC(=O)N[C@H]2CN(C(=O)c3cn(C)nc3C)CC[C@H]2OCc2cccc(c2)Oc2ccc(cc2OC)CCC1=O	ZINC000952864498	1059628257	/nfs/dbraw/zinc/62/82/57/1059628257.db2.gz	IAMFIWHDOGSCBS-URLMMPGGSA-N	0	0	633.746	3.257	50	0		KGAARN
COc1ccc2cc1Oc1cccc(c1)CO[C@H]1CCN(C(=O)c3ccc(C)nc3C)C[C@@H]1NC(=O)CN(CCCO)C2=O	ZINC000952864568	1059628279	/nfs/dbraw/zinc/62/82/79/1059628279.db2.gz	XHLBZSUBLMUKLR-NSOVKSMOSA-N	0	0	602.688	3.254	50	0		KGAARN
Cc1ccc2cc1Oc1cccc(c1)CO[C@H]1CN(c3cc(C(=O)N4CCCC4)ccn3)C[C@@H]1NC(=O)CN(C)C2=O	ZINC000952864574	1059628292	/nfs/dbraw/zinc/62/82/92/1059628292.db2.gz	XLROAPDBVLSROP-XCZPVHLTSA-N	0	0	569.662	3.394	50	0		KGAARN
COCCCN1CC(=O)N[C@H]2CN(C(=O)c3cc4ncccn4n3)CC[C@H]2OCc2cccc(c2)Oc2cc(ccc2OC)C1	ZINC000952864593	1059628303	/nfs/dbraw/zinc/62/83/03/1059628303.db2.gz	JEAPENYPKNYACD-WUFINQPMSA-N	0	0	614.703	3.298	50	0		KGAARN
COc1cc2ccc1Oc1cccc(c1)CO[C@H]1CN(C(=O)c3ccncc3)C[C@@H]1NC(=O)CN(C1CC1)C(=O)CC2	ZINC000952864597	1059628325	/nfs/dbraw/zinc/62/83/25/1059628325.db2.gz	KLWIGWHEZKCILQ-WNJJXGMVSA-N	0	0	570.646	3.346	50	0		KGAARN
COc1ccc2cc1Oc1cccc(c1)CO[C@@H]1CCN(C(=O)C(C)(C)N3CCOCC3)C[C@@H]1NC(=O)CC2	ZINC000952864627	1059629470	/nfs/dbraw/zinc/62/94/70/1059629470.db2.gz	XRERNTPCYPFSON-LOSJGSFVSA-N	0	0	537.657	3.147	50	0		KGAARN
CCN1CC(=O)N[C@H]2CN(C(=O)Cn3ccccc3=O)CC[C@@H]2OCc2cccc(c2)Oc2cc(OC(C)C)cc(c2)C1=O	ZINC000952864650	1059629380	/nfs/dbraw/zinc/62/93/80/1059629380.db2.gz	NWYQYSKCICUXJI-VMPREFPWSA-N	0	0	602.688	3.206	50	0		KGAARN
Cc1ccc2cc1Oc1cccc(c1)CO[C@@H]1CCN(C(=O)c3cc4c([nH]c3=O)CCC4)C[C@@H]1NC(=O)CN(C)C2=O	ZINC000952864667	1059629460	/nfs/dbraw/zinc/62/94/60/1059629460.db2.gz	JSSGABIIIUWNRZ-RRPNLBNLSA-N	0	0	570.646	3.378	50	0		KGAARN
O=C(CCc1cccnc1)N1CC[C@@H]2OCc3cccc(c3)Oc3cncc(c3)C(=O)NCCCC(=O)N[C@H]2C1	ZINC000952864668	1059629421	/nfs/dbraw/zinc/62/94/21/1059629421.db2.gz	OBXLNQYUWXEWAC-SVBPBHIXSA-N	0	0	543.624	3.028	50	0		KGAARN
CN1CC(=O)N[C@H]2CN(C(=O)c3n[nH]c4c3CCCC4)CC[C@H]2OCc2cccc(c2)Oc2cccc(c2)CCC1=O	ZINC000952864676	1059629508	/nfs/dbraw/zinc/62/95/08/1059629508.db2.gz	YPZODNUHWIIZHQ-WUFINQPMSA-N	0	0	571.678	3.402	50	0		KGAARN
COCCCN1CC(=O)N[C@H]2CN(C(=O)CCc3cnccn3)CC[C@H]2OCc2cccc(c2)Oc2cc(ccc2OC)C1	ZINC000952864722	1059629358	/nfs/dbraw/zinc/62/93/58/1059629358.db2.gz	OQGYAPMTBCOVJW-URLMMPGGSA-N	0	0	603.720	3.365	50	0		KGAARN
COc1cc2cc(c1)C(=O)NCCCC(=O)N[C@H]1CN(C(=O)C3CCOCC3)CC[C@@H]1OCc1cccc(c1)O2	ZINC000952864727	1059629486	/nfs/dbraw/zinc/62/94/86/1059629486.db2.gz	ZIKXWWGJTRDJSE-SVBPBHIXSA-N	0	0	551.640	3.040	50	0		KGAARN
CCc1noc(C)c1C(=O)N1C[C@@H]2NC(=O)CN(C)Cc3ccc(OC)c(c3)Oc3cccc(c3)CO[C@H]2C1	ZINC000952864738	1059630161	/nfs/dbraw/zinc/63/01/61/1059630161.db2.gz	LRXOBJOHPBLLOE-OZXSUGGESA-N	0	0	534.613	3.318	50	0		KGAARN
Cc1ccc2cc1OCCCn1cc(nn1)CCN(C(=O)c1cccnc1SCCc1ccccc1)CCNC(=O)[C@H]([C@@H](C)O)NC2=O	ZINC000952864753	1059630082	/nfs/dbraw/zinc/63/00/82/1059630082.db2.gz	LTGDPWZODMNQKU-NJHZRGNWSA-N	0	0	671.824	3.079	50	0		KGAARN
Cc1ccc2cc1Oc1cccc(c1)CO[C@@H]1CCN(C(=O)c3cccnc3)C[C@@H]1NC(=O)CN(C)C2=O	ZINC000952864792	1059630123	/nfs/dbraw/zinc/63/01/23/1059630123.db2.gz	LSMKAFLDZVRFFI-LOSJGSFVSA-N	0	0	514.582	3.184	50	0		KGAARN
COCCN1CC(=O)N[C@H]2CN(Cc3cc(OC)ccn3)C[C@@H]2OCc2cccc(c2)Oc2cc(ccc2OC)CCC1=O	ZINC000952864794	1059629984	/nfs/dbraw/zinc/62/99/84/1059629984.db2.gz	LSSZZAFCPBKPBD-IZEXYCQBSA-N	0	0	604.704	3.198	50	0		KGAARN
CC(=O)c1c(C)nn(CCC(=O)N2C[C@@H]3NC(=O)CN(C)C(=O)c4ccc(C)c(c4)Oc4cccc(c4)CO[C@H]3C2)c1C	ZINC000952864799	1059630138	/nfs/dbraw/zinc/63/01/38/1059630138.db2.gz	QOAOSJYTALDDMU-XCZPVHLTSA-N	0	0	587.677	3.191	50	0		KGAARN
COCCCN1CC(=O)N[C@H]2CN(C(=O)CCn3ccc(C)n3)CC[C@H]2OCc2cccc(c2)Oc2ccc(cc2OC)CCC1=O	ZINC000952864833	1059630020	/nfs/dbraw/zinc/63/00/20/1059630020.db2.gz	PVEHHHRDVQGXAQ-XZWHSSHBSA-N	0	0	647.773	3.496	50	0		KGAARN
COCCN1CC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]2CN(C(=O)c3ccc4ccn(C)c4c3)C[C@H]2c2cccc(c2)OCC(=O)N[C@H](CC(C)C)C1=O	ZINC000952864836	1059630003	/nfs/dbraw/zinc/63/00/03/1059630003.db2.gz	PVZBCBHEBLXPCO-CLLHQPRTSA-N	0	0	750.897	3.029	50	0		KGAARN
Cc1cccc(C(=O)N2CC[C@@H]3OCc4cccc(c4)Oc4ccc(cc4)CCC(=O)N(CCCO)CC(=O)N[C@H]3C2)n1	ZINC000952864860	1059630104	/nfs/dbraw/zinc/63/01/04/1059630104.db2.gz	QHQFTCLDUGMPFM-KYJUHHDHSA-N	0	0	586.689	3.256	50	0		KGAARN
COc1ccc2cc1OCC(=O)N[C@@H](C)C(=O)N(C)CCCCN(C(=O)c1cc(Cl)ccc1OC)CCCNC(=O)CC2	ZINC000952864869	1059631153	/nfs/dbraw/zinc/63/11/53/1059631153.db2.gz	NAHDKBUSQRRGJW-NRFANRHFSA-N	0	0	617.143	3.074	50	0		KGAARN
CCCn1nccc1C(=O)N1CC[C@@]23c4ccccc4N(CC(=O)NCCCOc4cccc(c4)[C@H]12)C3=O	ZINC000952864874	1059631081	/nfs/dbraw/zinc/63/10/81/1059631081.db2.gz	NDJBISYVGVIOPK-LITSAYRRSA-N	0	0	513.598	3.064	50	0		KGAARN
O=C(c1ccc2ncsc2c1)N1CCC2(Cc3cn(nn3)CCCOc3ccc(cc3)CCNC2=O)CC1	ZINC000952864876	1059631106	/nfs/dbraw/zinc/63/11/06/1059631106.db2.gz	NGAJZIJGEINGLL-UHFFFAOYSA-N	0	0	530.654	3.494	50	0		KGAARN
COCCN1CC(=O)N[C@H]2CN(Cc3nc(C(C)C)no3)C[C@@H]2OCc2cccc(c2)Oc2cc(ccc2OC)CCC1=O	ZINC000952864878	1059631088	/nfs/dbraw/zinc/63/10/88/1059631088.db2.gz	QNCMFPFTXFFDEI-LSYYVWMOSA-N	0	0	607.708	3.301	50	0		KGAARN
Cc1ccc2cc1Oc1cccc(c1)CO[C@H]1CN(C(=O)c3ccc4c(c3)nc(N3CCOCC3)n4C)C[C@@H]1NC(=O)CN(C)C2=O	ZINC000952864881	1059631115	/nfs/dbraw/zinc/63/11/15/1059631115.db2.gz	QNKQWUYGOMAUCB-IZEXYCQBSA-N	0	0	638.725	3.122	50	0		KGAARN
COCCOc1cc2cc(c1)C(=O)NCCNC(=O)N[C@H]1CCN(Cc3ccc(OC)nc3)C[C@@H]1OCc1cccc(c1)O2	ZINC000952864884	1059631127	/nfs/dbraw/zinc/63/11/27/1059631127.db2.gz	QOWRQWXHQVFTCO-VMPREFPWSA-N	0	0	605.692	3.110	50	0		KGAARN
CN1CCCOc2cccc(c2)[C@@H]2N(C(=O)c3cscn3)CC[C@@]23c2ccccc2N(CC1=O)C3=O	ZINC000952864887	1059631099	/nfs/dbraw/zinc/63/10/99/1059631099.db2.gz	QPGRJJHDWIAJMK-RPLLCQBOSA-N	0	0	502.596	3.256	50	0		KGAARN
COc1cccc2c1OCCCn1cc(nn1)CCN(C(=O)Cc1ccc3[nH]c(C)nc3c1)CCNC(=O)[C@H](Cc1ccccc1)NC2=O	ZINC000952864899	1059631066	/nfs/dbraw/zinc/63/10/66/1059631066.db2.gz	SABOXTJRUCEXRH-HKBQPEDESA-N	0	0	664.767	3.025	50	0		KGAARN
CCOc1cc2cc(c1)C(=O)N(C)CC(=O)N[C@H]1CN(Cc3noc(C4CC4)n3)CC[C@H]1OCc1cccc(c1)O2	ZINC000952864903	1059631049	/nfs/dbraw/zinc/63/10/49/1059631049.db2.gz	NRHWXBBXBQJUFE-IZZNHLLZSA-N	0	0	561.639	3.500	50	0		KGAARN
COCc1c(C)onc1C(=O)N1CC[C@@]23c4ccccc4N(CC(=O)N(C)CCCOc4cccc(c4)[C@H]12)C3=O	ZINC000952864907	1059631062	/nfs/dbraw/zinc/63/10/62/1059631062.db2.gz	SCMYCFUZXANVAS-BHBYDHKZSA-N	0	0	544.608	3.242	50	0		KGAARN
COc1ccc2cc1Oc1cccc(c1)CO[C@H]1CN(C(=O)C3(N4CCOCC4)CCCCC3)C[C@@H]1NC(=O)CN(C)C2	ZINC000952864925	1059631896	/nfs/dbraw/zinc/63/18/96/1059631896.db2.gz	SMNCXKNZABWYME-FIBWVYCGSA-N	0	0	592.737	3.180	50	0		KGAARN
COc1ccc2cc1Oc1cccc(c1)CO[C@H]1CN(C(=O)Cc3cnc4ccccn34)C[C@@H]1NC(=O)CN(C)C2	ZINC000952864926	1059631952	/nfs/dbraw/zinc/63/19/52/1059631952.db2.gz	RFJFCPOKGHGXSQ-LSYYVWMOSA-N	0	0	555.635	3.036	50	0		KGAARN
COc1cc2ccc1Oc1cccc(c1)CO[C@H]1CN(C(=O)c3cccnc3)C[C@@H]1NC(=O)CN(C1CC1)C(=O)CC2	ZINC000952864935	1059631841	/nfs/dbraw/zinc/63/18/41/1059631841.db2.gz	RHMDMPILJWWZTL-WNJJXGMVSA-N	0	0	570.646	3.346	50	0		KGAARN
Cn1nc(C(=O)N2CC[C@@H]3OCc4cccc(c4)Oc4ccc(cc4)CCC(=O)N(CCCO)CC(=O)N[C@H]3C2)c2c1CCCC2	ZINC000952864952	1059631868	/nfs/dbraw/zinc/63/18/68/1059631868.db2.gz	SZNINZZFDGKISB-SMCANUKXSA-N	0	0	629.758	3.165	50	0		KGAARN
Cc1noc(C)c1CC(=O)N1CC[C@H]2OCc3cccc(c3)Oc3cc(ccc3C)C(=O)N(C)CC(=O)N[C@H]2C1	ZINC000952864962	1059631980	/nfs/dbraw/zinc/63/19/80/1059631980.db2.gz	UBLSQJXGNGTJQG-IZZNHLLZSA-N	0	0	546.624	3.323	50	0		KGAARN
COCCOc1cc2cc(c1)C(=O)NCCNC(=O)N[C@H]1CCN(Cc3cccc(C)n3)C[C@@H]1OCc1cccc(c1)O2	ZINC000952864967	1059631961	/nfs/dbraw/zinc/63/19/61/1059631961.db2.gz	SLELPSLGPYZYQR-KYJUHHDHSA-N	0	0	589.693	3.410	50	0		KGAARN
O=C1N[C@@H](CC2CCCCC2)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCc2cn(nn2)CCOc2ccc(Cl)cc21	ZINC000952864985	1059631830	/nfs/dbraw/zinc/63/18/30/1059631830.db2.gz	ULTOBMUSLIJNLY-UIOOFZCWSA-N	0	0	579.101	3.437	50	0		KGAARN
COc1ccc2cc1Oc1cccc(c1)CO[C@@H]1CCN(C(=O)Cc3c(C)nc(C)[nH]c3=O)C[C@@H]1NC(=O)CC2	ZINC000952864992	1059631878	/nfs/dbraw/zinc/63/18/78/1059631878.db2.gz	KHBGRJYUCWNTBM-LOSJGSFVSA-N	0	0	546.624	3.391	50	0		KGAARN
Cc1nc(C(=O)N2C[C@@H]3NC(=O)CN(C4CC4)Cc4cccc(c4)Oc4cccc(c4)CO[C@H]3C2)c[nH]1	ZINC000952864995	1059632862	/nfs/dbraw/zinc/63/28/62/1059632862.db2.gz	KJQGMIMJQYKJOJ-UIOOFZCWSA-N	0	0	501.587	3.014	50	0		KGAARN
COc1cccc2c1OCCCn1cc(nn1)CCN(C(=O)c1cc(C(C)C)on1)CCNC(=O)[C@H](Cc1ccccc1)NC2=O	ZINC000952865009	1059632935	/nfs/dbraw/zinc/63/29/35/1059632935.db2.gz	KYVHOGOEIYNYFN-SANMLTNESA-N	0	0	629.718	3.023	50	0		KGAARN
CCN1CC(=O)N[C@H]2CN(C(=O)Cc3c(C)n[nH]c3C)CC[C@@H]2OCc2cccc(c2)Oc2cccc(c2)CC1=O	ZINC000952865014	1059633026	/nfs/dbraw/zinc/63/30/26/1059633026.db2.gz	LEHWZMLDGKFGSD-NSOVKSMOSA-N	0	0	559.667	3.068	50	0		KGAARN
COc1cc2ccc1Oc1cccc(c1)CO[C@H]1CN(C(=O)c3cccc(=O)[nH]3)C[C@@H]1NC(=O)CN(C1CC1)C(=O)CC2	ZINC000952865023	1059632917	/nfs/dbraw/zinc/63/29/17/1059632917.db2.gz	LNBACZIFNVTFSB-LSYYVWMOSA-N	0	0	586.645	3.051	50	0		KGAARN
COCCN1CC(=O)N[C@H]2CN(C(=O)CSc3ccccn3)C[C@@H]2OCc2cccc(c2)Oc2cc(ccc2OC)CCC1=O	ZINC000952865030	1059632951	/nfs/dbraw/zinc/63/29/51/1059632951.db2.gz	LZFJUBUGRPVPDZ-WNJJXGMVSA-N	0	0	634.755	3.308	50	0		KGAARN
Cc1cc(C(=O)N2CC[C@@H]3OCc4cccc(c4)Oc4cncc(c4)C(=O)NCCCC(=O)N[C@H]3C2)cnc1C	ZINC000952865071	1059632892	/nfs/dbraw/zinc/63/28/92/1059632892.db2.gz	OOSGRGZWINBBMW-SVBPBHIXSA-N	0	0	543.624	3.325	50	0		KGAARN
Cc1nc2cccc(C(=O)N3CCC4(Cc5cn(nn5)CCCOc5ccc(cc5)CCNC4=O)CC3)c2[nH]1	ZINC000952865081	1059632837	/nfs/dbraw/zinc/63/28/37/1059632837.db2.gz	NQCSSSZRKCRYMQ-UHFFFAOYSA-N	0	0	527.629	3.069	50	0		KGAARN
COc1ccc2cc1Oc1cccc(c1)CO[C@H]1CN(C(=O)c3scc4c3OCCO4)C[C@@H]1NC(=O)CN(C)C2	ZINC000952865082	1059632965	/nfs/dbraw/zinc/63/29/65/1059632965.db2.gz	OSKFILZDUIJYQE-URXFXBBRSA-N	0	0	565.648	3.292	50	0		KGAARN
COCCCCCC(=O)N1CC[C@@H]2OCc3cccc(c3)Oc3cncc(c3)C(=O)NCCCC(=O)N[C@H]2C1	ZINC000952865094	1059633932	/nfs/dbraw/zinc/63/39/32/1059633932.db2.gz	MKSAGTSVWVOBBN-UIOOFZCWSA-N	0	0	538.645	3.207	50	0		KGAARN
COc1cc2cc(c1)C(=O)NCCCC(=O)N[C@H]1CN(C(=O)Cn3nc(C)c(C(C)=O)c3C)CC[C@@H]1OCc1cccc(c1)O2	ZINC000952865098	1059633970	/nfs/dbraw/zinc/63/39/70/1059633970.db2.gz	NUHULWXEEHSBQK-VMPREFPWSA-N	0	0	617.703	3.330	50	0		KGAARN
COc1ccc2cc1O[C@H]1C[C@@H](C(=O)NCCCCN(C(=O)c3ccccc3Cl)CCCNC2=O)N(C(=O)C2CCOCC2)C1	ZINC000952865122	1059633964	/nfs/dbraw/zinc/63/39/64/1059633964.db2.gz	NWSNPPLIFQRGPU-IGKIAQTJSA-N	0	0	641.165	3.296	50	0		KGAARN
CN1CC(=O)N[C@H]2CN(C(=O)CCCN3CCCCC3=O)CC[C@H]2OCc2cccc(c2)Oc2cccc(c2)CCC1=O	ZINC000952865131	1059633924	/nfs/dbraw/zinc/63/39/24/1059633924.db2.gz	PGHANQINKHOTLE-URLMMPGGSA-N	0	0	590.721	3.279	50	0		KGAARN
CCOc1cc2cc(c1)C(=O)N(C)CC(=O)N[C@H]1CN(Cc3cc(=O)[nH]c(C)n3)CC[C@H]1OCc1cccc(c1)O2	ZINC000952865133	1059633943	/nfs/dbraw/zinc/63/39/43/1059633943.db2.gz	TVHDQHOCENFANS-RRPNLBNLSA-N	0	0	561.639	3.043	50	0		KGAARN
CCN1CC(=O)N[C@H]2CN(C(=O)c3cccnc3)CC[C@@H]2OCc2cccc(c2)Oc2cccc(c2)CC1=O	ZINC000952865155	1059633918	/nfs/dbraw/zinc/63/39/18/1059633918.db2.gz	NQRWVDYWNDTINV-SVBPBHIXSA-N	0	0	528.609	3.195	50	0		KGAARN
COc1cc2ccc1OCC(=O)N[C@@H](C)C(=O)N(C)CCCCN(C(=O)CSc1ccc(Cl)cc1)CCCNC2=O	ZINC000952865168	1059633869	/nfs/dbraw/zinc/63/38/69/1059633869.db2.gz	PLKYDRVSFNJXFR-FQEVSTJZSA-N	0	0	605.157	3.225	50	0		KGAARN
COc1ccc2cc1Oc1cccc(c1)CO[C@H]1CN(C(=O)c3ccc(OC)c(OC)c3OC)C[C@@H]1NC(=O)CN(C)C2	ZINC000952865173	1059633987	/nfs/dbraw/zinc/63/39/87/1059633987.db2.gz	ULVGEBHYQLJHEP-CUBQBAPOSA-N	0	0	591.661	3.485	50	0		KGAARN
O=C(c1noc2c1CCCC2)N1CC[C@@H]2OCc3cccc(c3)Oc3ccc(cc3)CCC(=O)N(CCCO)CC(=O)N[C@H]2C1	ZINC000952865207	1059634845	/nfs/dbraw/zinc/63/48/45/1059634845.db2.gz	PVXHRIJOPHXYAU-JDXGNMNLSA-N	0	0	616.715	3.419	50	0		KGAARN
COc1ccc2cc1Oc1cccc(c1)CO[C@H]1CCN(C(=O)Cc3cccc(F)c3)C[C@@H]1NC(=O)CN(CCCO)C2=O	ZINC000952865218	1059634746	/nfs/dbraw/zinc/63/47/46/1059634746.db2.gz	UZDQTVHQJIJNKM-NSOVKSMOSA-N	0	0	605.663	3.310	50	0		KGAARN
CCCc1ncncc1C(=O)N1C[C@@H]2NC(=O)CN(C)C(=O)c3ccc(C)c(c3)Oc3cccc(c3)CO[C@H]2C1	ZINC000952865223	1059634870	/nfs/dbraw/zinc/63/48/70/1059634870.db2.gz	PXZWSFNJJYECMT-BDYUSTAISA-N	0	0	543.624	3.141	50	0		KGAARN
O=C(Cc1ccc(O)c(Cl)c1)N1CCC2(Cc3cn(nn3)CCCOc3ccc(cc3)CCNC2=O)CC1	ZINC000952865235	1059634815	/nfs/dbraw/zinc/63/48/15/1059634815.db2.gz	OBSMCJBJCNFZIB-UHFFFAOYSA-N	0	0	538.048	3.173	50	0		KGAARN
Cc1cc(C(=O)N2CC[C@@]34c5ccccc5N(Cc5cn(nn5)CCCOc5cccc(c5)[C@H]23)C4=O)no1	ZINC000952865237	1059634767	/nfs/dbraw/zinc/63/47/67/1059634767.db2.gz	VQQDOKWIFNPFBV-LBNVMWSVSA-N	0	0	510.554	3.429	50	0		KGAARN
Cc1ccc2cc1Oc1cccc(c1)CO[C@H]1CN(Cc3ccc(N(C)C)nc3)C[C@@H]1NC(=O)CN(C)C2=O	ZINC000952865249	1059634605	/nfs/dbraw/zinc/63/46/05/1059634605.db2.gz	QCNACZDDMZAGQQ-BDYUSTAISA-N	0	0	529.641	3.220	50	0		KGAARN
Cc1ccc2cc1Oc1cccc(c1)CO[C@H]1CN(C(=O)c3cnc(N4CCCCC4)nc3C)C[C@@H]1NC(=O)CN(C)C2=O	ZINC000952865256	1059634788	/nfs/dbraw/zinc/63/47/88/1059634788.db2.gz	VVFJZUKJLIYSHI-YTMVLYRLSA-N	0	0	598.704	3.488	50	0		KGAARN
Cc1ccc2cc1Oc1cccc(c1)CO[C@@H]1CCN(C(=O)CCN3CCCCCC3=O)C[C@@H]1NC(=O)CN(C)C2=O	ZINC000952865270	1059634661	/nfs/dbraw/zinc/63/46/61/1059634661.db2.gz	OLBZOANWXREMBR-RRPNLBNLSA-N	0	0	576.694	3.268	50	0		KGAARN
Cc1nc(C)c(C(=O)N2CC[C@@H]3OCc4cccc(c4)Oc4ccc(cc4)CCC(=O)N(CCCO)CC(=O)N[C@H]3C2)o1	ZINC000952865287	1059634587	/nfs/dbraw/zinc/63/45/87/1059634587.db2.gz	VNWOUBJLPYMXRN-NSOVKSMOSA-N	0	0	590.677	3.157	50	0		KGAARN
Cc1cc(C(=O)N2CCNC(=O)[C@H]([C@@H](C)O)NC(=O)c3ccc(C)c(c3)OCCCn3cc(nn3)CC2)sc1-c1ccccc1	ZINC000952865290	1059635836	/nfs/dbraw/zinc/63/58/36/1059635836.db2.gz	OUDDZHMHZRGHQG-BTYSJIOQSA-N	0	0	630.771	3.386	50	0		KGAARN
COc1cccc2c1OCCCn1cc(nn1)CCN(C(=O)c1c(C)[nH]c3c1C(=O)CCC3)CCNC(=O)[C@H](Cc1ccccc1)NC2=O	ZINC000952865292	1059635944	/nfs/dbraw/zinc/63/59/44/1059635944.db2.gz	VVZURTPJOJYTGQ-NDEPHWFRSA-N	0	0	667.767	3.067	50	0		KGAARN
CCOc1cc2cc(c1)C(=O)N(C)CC(=O)N[C@H]1CN(C(=O)CCn3nc(C)cc3C)CC[C@H]1OCc1cccc(c1)O2	ZINC000952865296	1059635787	/nfs/dbraw/zinc/63/57/87/1059635787.db2.gz	OVXAJPAAGJTUTI-URLMMPGGSA-N	0	0	589.693	3.469	50	0		KGAARN
COCC1(C(=O)N2C[C@@H]3NC(=O)CN(C4CC4)C(=O)CCc4ccc(c(OC)c4)Oc4cccc(c4)CO[C@H]3C2)CCC1	ZINC000952865300	1059635926	/nfs/dbraw/zinc/63/59/26/1059635926.db2.gz	QTZVBTJNBQMKSD-WNJJXGMVSA-N	0	0	591.705	3.454	50	0		KGAARN
CCCn1cc(C(=O)N2CC[C@@H]3OCc4cccc(c4)Oc4cncc(c4)C(=O)NCCCC(=O)N[C@H]3C2)c(C)n1	ZINC000952865313	1059635865	/nfs/dbraw/zinc/63/58/65/1059635865.db2.gz	VYNSPNBRLFTOQA-SVBPBHIXSA-N	0	0	560.655	3.229	50	0		KGAARN
CC(C)C[C@H]1NC(=O)c2cc(F)ccc2OCCn2cc(nn2)CCN(C(=O)c2ccc3ncsc3c2)CCNC1=O	ZINC000952865315	1059635768	/nfs/dbraw/zinc/63/57/68/1059635768.db2.gz	VZGLOGWNBMEACB-XMMPIXPASA-N	0	0	593.685	3.065	50	0		KGAARN
COc1ccc2cc1Oc1cccc(c1)CO[C@H]1CN(C(=O)c3cc(C)nc(C)c3)C[C@@H]1NC(=O)CN(C)C2	ZINC000952865329	1059635851	/nfs/dbraw/zinc/63/58/51/1059635851.db2.gz	WEAOHHJKVNQLAA-LSYYVWMOSA-N	0	0	530.625	3.471	50	0		KGAARN
CCCc1cc(C(=O)N2C[C@@H]3NC(=O)CCCNC(=O)c4cccc(c4)-c4cccc(c4)CO[C@H]3C2)no1	ZINC000952865348	1059635884	/nfs/dbraw/zinc/63/58/84/1059635884.db2.gz	PHDZLBCGYCCVOG-UIOOFZCWSA-N	0	0	516.598	3.344	50	0		KGAARN
CCn1cc(C(=O)N2CC[C@H]3OCc4cccc(c4)Oc4ccc(cc4OC)CCC(=O)N(CCCOC)CC(=O)N[C@H]3C2)cn1	ZINC000952865373	1059636742	/nfs/dbraw/zinc/63/67/42/1059636742.db2.gz	XFWHNNVCVNIAIW-URLMMPGGSA-N	0	0	633.746	3.431	50	0		KGAARN
Cc1nc(CC(=O)N2CC[C@H]3OCc4cccc(c4)Oc4cccc(c4)CCC(=O)N(C)CC(=O)N[C@H]3C2)cs1	ZINC000952865396	1059637046	/nfs/dbraw/zinc/63/70/46/1059637046.db2.gz	XAUBNFVJSOYIEF-RRPNLBNLSA-N	0	0	562.692	3.493	50	0		KGAARN
COc1cc2ccc1Oc1cccc(c1)CO[C@H]1CN(C(=O)C3CCN(C(=O)N(C)C)CC3)C[C@@H]1NC(=O)CN(C1CC1)C(=O)CC2	ZINC000952865402	1059636989	/nfs/dbraw/zinc/63/69/89/1059636989.db2.gz	PVKNLZNXXKUTAU-IZEXYCQBSA-N	0	0	647.773	3.031	50	0		KGAARN
COc1ccc2cc1Oc1cccc(c1)CO[C@H]1CCN(Cc3cccc(C)n3)C[C@@H]1NC(=O)CN(CCCO)C2=O	ZINC000952865410	1059636899	/nfs/dbraw/zinc/63/68/99/1059636899.db2.gz	XZPDLMKSUWVKRI-NSOVKSMOSA-N	0	0	574.678	3.305	50	0		KGAARN
Cc1noc(C)c1CN1C[C@@H]2NC(=O)CN(C)C(=O)c3ccc(C)c(c3)Oc3cccc(c3)CO[C@H]2C1	ZINC000952865418	1059636850	/nfs/dbraw/zinc/63/68/50/1059636850.db2.gz	QHUSBDNGZKSWAW-AHWVRZQESA-N	0	0	504.587	3.364	50	0		KGAARN
Cc1ccc2cc1Oc1cccc(c1)CO[C@@H]1CCN(C(=O)c3ccccn3)C[C@@H]1NC(=O)CN(C)C2=O	ZINC000952865426	1059637065	/nfs/dbraw/zinc/63/70/65/1059637065.db2.gz	YDEREOMYYMFYMS-LOSJGSFVSA-N	0	0	514.582	3.184	50	0		KGAARN
Cc1cc(C(=O)N2CC[C@@]34c5ccccc5N(Cc5cn(nn5)CCCOc5cccc(c5)[C@H]23)C4=O)n(C)n1	ZINC000952865434	1059637008	/nfs/dbraw/zinc/63/70/08/1059637008.db2.gz	XTHJWEHGIHQXRM-LITSAYRRSA-N	0	0	523.597	3.175	50	0		KGAARN
COCCN1CC(=O)N[C@H]2CN(Cc3cccc(C)n3)C[C@@H]2OCc2cccc(c2)Oc2cc(ccc2OC)CCC1=O	ZINC000952865443	1059636945	/nfs/dbraw/zinc/63/69/45/1059636945.db2.gz	YMYYPXZOWGZHJH-IZEXYCQBSA-N	0	0	588.705	3.498	50	0		KGAARN
COCCN1CC(=O)N[C@H]2CN(Cc3cnc(SC)nc3)C[C@@H]2OCc2cccc(c2)Oc2cc(ccc2OC)CCC1=O	ZINC000952865482	1059637997	/nfs/dbraw/zinc/63/79/97/1059637997.db2.gz	YRSSNNQEWQWJFI-WNJJXGMVSA-N	0	0	621.760	3.306	50	0		KGAARN
CN1CC(=O)N[C@H]2CN(C(=O)c3c(Cl)cnn3C)CC[C@H]2OCc2cccc(c2)Oc2cccc(c2)CCC1=O	ZINC000952865487	1059637956	/nfs/dbraw/zinc/63/79/56/1059637956.db2.gz	ZDBOWIPJOWMAHD-LOSJGSFVSA-N	0	0	566.058	3.187	50	0		KGAARN
O=C(c1cccc(=O)[nH]1)N1CC[C@@]23c4ccccc4N(Cc4cn(nn4)CCCOc4cccc(c4)[C@H]12)C3=O	ZINC000952865493	1059637972	/nfs/dbraw/zinc/63/79/72/1059637972.db2.gz	PEWJYLWQIWTGRN-LITSAYRRSA-N	0	0	522.565	3.233	50	0		KGAARN
CCNc1ncc(C(=O)N2C[C@@H]3NC(=O)CN(C4CC4)C(=O)CCc4ccc(c(OC)c4)Oc4cccc(c4)CO[C@H]3C2)cn1	ZINC000952865497	1059638002	/nfs/dbraw/zinc/63/80/02/1059638002.db2.gz	ZLYGTEZHSPTKJO-WNJJXGMVSA-N	0	0	614.703	3.173	50	0		KGAARN
CCCN1C(=O)N[C@@H](CC(=O)N2CCC3(CC2)Cc2cccc(c2)Oc2cccc(c2)CCNC3=O)C1=O	ZINC000952865505	1059637942	/nfs/dbraw/zinc/63/79/42/1059637942.db2.gz	ZAOSXOGGQRHJQJ-DEOSSOPVSA-N	0	0	518.614	3.023	50	0		KGAARN
CCCN1C(=O)N[C@H](CC(=O)N2CCC3(CC2)Cc2cccc(c2)Oc2cccc(c2)CCNC3=O)C1=O	ZINC000952865507	1059637932	/nfs/dbraw/zinc/63/79/32/1059637932.db2.gz	ZAOSXOGGQRHJQJ-XMMPIXPASA-N	0	0	518.614	3.023	50	0		KGAARN
O=C(CCC(F)(F)F)N1CC[C@@]23c4ccccc4N(CC(=O)NCCCOc4cccc(c4)[C@H]12)C3=O	ZINC000952865509	1059637946	/nfs/dbraw/zinc/63/79/46/1059637946.db2.gz	ZBERFLYFDQRNFI-UKILVPOCSA-N	0	0	501.505	3.486	50	0		KGAARN
COc1cc2ccc1OCC(=O)N[C@@H](C)C(=O)N(C)CCCCN(C(=O)Cc1ccccc1C(F)(F)F)CCCNC2=O	ZINC000952865513	1059637963	/nfs/dbraw/zinc/63/79/63/1059637963.db2.gz	ZWDXKBLFZHQACP-FQEVSTJZSA-N	0	0	606.642	3.041	50	0		KGAARN
Cc1cc2c(cc1C(=O)N1CC[C@@H]3OCc4cccc(c4)Oc4cncc(c4)C(=O)NCCCC(=O)N[C@H]3C1)OCCO2	ZINC000952865523	1059638802	/nfs/dbraw/zinc/63/88/02/1059638802.db2.gz	ZMWMOHXPQRAKGV-SVBPBHIXSA-N	0	0	586.645	3.393	50	0		KGAARN
Cc1nc(CN2C[C@@H]3NC(=O)CN(C)C(=O)c4ccc(C)c(c4)Oc4cccc(c4)CO[C@H]3C2)n(C)c1C	ZINC000952865537	1059638848	/nfs/dbraw/zinc/63/88/48/1059638848.db2.gz	QLVMEINWHAOMBK-AHWVRZQESA-N	0	0	517.630	3.109	50	0		KGAARN
CCN1CC(=O)N[C@H]2CN(C(=O)c3cnc(C4CC4)[nH]c3=O)CC[C@@H]2OCc2cccc(c2)Oc2cccc(c2)CC1=O	ZINC000952865550	1059638753	/nfs/dbraw/zinc/63/87/53/1059638753.db2.gz	QXRNOYJYBUZQJD-SVBPBHIXSA-N	0	0	585.661	3.173	50	0		KGAARN
Cc1nc(C(=O)N2CCN3C(=O)CNC(=O)c4cc(OCC(C)C)cc(c4)Oc4cccc(c4)CCNC(=O)[C@H]3C2)cs1	ZINC000952865564	1059638693	/nfs/dbraw/zinc/63/86/93/1059638693.db2.gz	ROIYUJJDGOGAPG-HHHXNRCGSA-N	0	0	605.717	3.034	50	0		KGAARN
COCCCN1CC(=O)N[C@H]2CN(C(=O)c3cnccn3)CC[C@H]2OCc2cccc(c2)Oc2cc(ccc2OC)C1	ZINC000952865570	1059638706	/nfs/dbraw/zinc/63/87/06/1059638706.db2.gz	RQZNXMAMKFFHPR-RRPNLBNLSA-N	0	0	575.666	3.046	50	0		KGAARN
Cc1cc2nc(C(=O)N3CC[C@H]4OCc5cccc(c5)Oc5cccc(c5)CCC(=O)N(C)CC(=O)N[C@H]4C3)cc(C)n2n1	ZINC000952865579	1059638718	/nfs/dbraw/zinc/63/87/18/1059638718.db2.gz	RVERCRNIXGDDLG-URLMMPGGSA-N	0	0	596.688	3.459	50	0		KGAARN
O=C1COc2ccc3c(c2)CCN(C(=O)C2CCN(C(=O)C4CC4)CC2)[C@H]3c2cccc(c2)OCCCN1	ZINC000952865616	1059638781	/nfs/dbraw/zinc/63/87/81/1059638781.db2.gz	SUWKWAVIAYLYKL-NDEPHWFRSA-N	0	0	517.626	3.087	50	0		KGAARN
COCCOc1cc2cc(c1)C(=O)NCCNC(=O)N[C@H]1CCN(Cc3cnc(N4CCCC4)nc3)C[C@@H]1OCc1cccc(c1)O2	ZINC000952865626	1059638651	/nfs/dbraw/zinc/63/86/51/1059638651.db2.gz	TYFLBOXTSKGIKD-CONSDPRKSA-N	0	0	645.761	3.097	50	0		KGAARN
COc1cc(CC(=O)N2C[C@@H]3NC(=O)CN(C)C(=O)c4ccc(C)c(c4)Oc4cccc(c4)CO[C@H]3C2)cc(OC)c1OC	ZINC000952865628	1059639955	/nfs/dbraw/zinc/63/99/55/1059639955.db2.gz	TVESQURWTJVRMB-SVEHJYQDSA-N	0	0	603.672	3.354	50	0		KGAARN
CCOc1cc2cc(c1)C(=O)N(C)CC(=O)N[C@H]1CN(C(=O)C3CCC3)CC[C@H]1OCc1cccc(c1)O2	ZINC000952865637	1059639869	/nfs/dbraw/zinc/63/98/69/1059639869.db2.gz	ULZXELHYEZKEQJ-IZZNHLLZSA-N	0	0	521.614	3.366	50	0		KGAARN
CN1CC(=O)N[C@H]2CN(C(=O)CCN3CCCCCC3=O)CC[C@H]2OCc2cccc(c2)Oc2cccc(c2)CCC1=O	ZINC000952865702	1059639909	/nfs/dbraw/zinc/63/99/09/1059639909.db2.gz	WNTJBSTZJQKZCU-URLMMPGGSA-N	0	0	590.721	3.279	50	0		KGAARN
COc1ccc2cc1Oc1cccc(c1)CO[C@H]1CCN(c3nc(C)cc(C)n3)C[C@@H]1NC(=O)CN(CCCO)C2=O	ZINC000952865720	1059639899	/nfs/dbraw/zinc/63/98/99/1059639899.db2.gz	QWEZXMOICSZBGJ-UIOOFZCWSA-N	0	0	575.666	3.013	50	0		KGAARN
Cc1ccc2cc1Oc1cccc(c1)CO[C@@H]1CCN(C(=O)c3cc(CC(C)C)nc(N)n3)C[C@@H]1NC(=O)CN(C)C2=O	ZINC000952865723	1059639831	/nfs/dbraw/zinc/63/98/31/1059639831.db2.gz	XIYZDMVOSVJTMM-RRPNLBNLSA-N	0	0	586.693	3.360	50	0		KGAARN
COc1cccc2c1OCCCn1cc(nn1)CCN(C(=O)c1cccc3c1ccn3C)CCNC(=O)[C@H](Cc1ccccc1)NC2=O	ZINC000952865737	1059639935	/nfs/dbraw/zinc/63/99/35/1059639935.db2.gz	RHFOFNASFYFDBN-PMERELPUSA-N	0	0	649.752	3.403	50	0		KGAARN
CN1CC(=O)N[C@H]2CN(C(=O)c3ccc[nH]3)CC[C@H]2OCc2cccc(c2)Oc2cccc(c2)CCC1=O	ZINC000952865741	1059639845	/nfs/dbraw/zinc/63/98/45/1059639845.db2.gz	RKJCYTXBCFVNGA-IZZNHLLZSA-N	0	0	516.598	3.128	50	0		KGAARN
COCCN1CC(=O)N[C@H]2CN(C(=O)c3cc(CC(C)C)nn3C)C[C@@H]2OCc2cccc(c2)Oc2cc(ccc2OC)CCC1=O	ZINC000952865751	1059639920	/nfs/dbraw/zinc/63/99/20/1059639920.db2.gz	RVTZBEIWCIXJIZ-IUDBTDONSA-N	0	0	647.773	3.367	50	0		KGAARN
CCN1CC(=O)N[C@H]2CN(C(=O)CCn3nccc3C)CC[C@@H]2OCc2cccc(c2)Oc2cccc(c2)CC1=O	ZINC000952865752	1059639857	/nfs/dbraw/zinc/63/98/57/1059639857.db2.gz	RWTPBXVIPQYCBN-NSOVKSMOSA-N	0	0	559.667	3.081	50	0		KGAARN
COCCOc1cc2cc(c1)C(=O)NCCNC(=O)N[C@H]1CCN(C(=O)c3cc(O)ccc3C)C[C@@H]1OCc1cccc(c1)O2	ZINC000952865758	1059639972	/nfs/dbraw/zinc/63/99/72/1059639972.db2.gz	SAAMZRUEMNSFCN-KYJUHHDHSA-N	0	0	618.687	3.361	50	0		KGAARN
COCCN1CC(=O)N[C@H]2CN(c3ncnc(C)c3C)C[C@@H]2OCc2cccc(c2)Oc2cc(ccc2OC)CCC1=O	ZINC000952865759	1059641229	/nfs/dbraw/zinc/64/12/29/1059641229.db2.gz	VCNRHVCNWILJHQ-WNJJXGMVSA-N	0	0	589.693	3.206	50	0		KGAARN
Cc1ocnc1C(=O)N1C[C@@H]2NC(=O)CN(C3CC3)Cc3cccc(c3)Oc3cccc(c3)CO[C@H]2C1	ZINC000952865769	1059641123	/nfs/dbraw/zinc/64/11/23/1059641123.db2.gz	VLJVRWJPMFEZQA-DQEYMECFSA-N	0	0	502.571	3.279	50	0		KGAARN
CCCCS(=O)(=O)N1C[C@@H]2NC(=O)CN(C3CC3)Cc3cccc(c3)Oc3cccc(c3)CO[C@H]2C1	ZINC000952865772	1059641131	/nfs/dbraw/zinc/64/11/31/1059641131.db2.gz	SMCGATWWPDTBDX-UIOOFZCWSA-N	0	0	513.660	3.272	50	0		KGAARN
COc1cc2ccc1Oc1cccc(c1)CO[C@H]1CN(C(=O)Cc3sc(N)nc3C)C[C@@H]1NC(=O)CN(C1CC1)C(=O)CC2	ZINC000952865784	1059641113	/nfs/dbraw/zinc/64/11/13/1059641113.db2.gz	VVSBHAKPHBGXPA-IGKIAQTJSA-N	0	0	619.744	3.227	50	0		KGAARN
CCc1nccn1CCC(=O)N1CC[C@@H]2OCc3cccc(c3)Oc3ccc(cc3)CCC(=O)N(CCCO)CC(=O)N[C@H]2C1	ZINC000952865800	1059641286	/nfs/dbraw/zinc/64/12/86/1059641286.db2.gz	WBOZCIGDHKUTPQ-KYJUHHDHSA-N	0	0	617.747	3.088	50	0		KGAARN
CC(=O)N1CCC(C(=O)N2CCc3cc4ccc3[C@H]2c2cccc(c2)OCCCn2cc(nn2)CO4)CC1	ZINC000952865802	1059641309	/nfs/dbraw/zinc/64/13/09/1059641309.db2.gz	XQHSMWWBIALRDX-MUUNZHRXSA-N	0	0	515.614	3.372	50	0		KGAARN
O=C(c1ccc[nH]c1=O)N1CC[C@]23c4ccccc4N(Cc4cn(nn4)CCCOc4cccc(c4)[C@H]12)C3=O	ZINC000952865815	1059641955	/nfs/dbraw/zinc/64/19/55/1059641955.db2.gz	TXMDDASRXSFPBA-SVEHJYQDSA-N	0	0	522.565	3.233	50	0		KGAARN
COc1ccc2cc1Oc1cccc(c1)CO[C@H]1CCN(Cc3cn4ccccc4n3)C[C@@H]1NC(=O)CN(CCCO)C2=O	ZINC000952865824	1059641967	/nfs/dbraw/zinc/64/19/67/1059641967.db2.gz	UBLKZCDQRAUMIA-NSOVKSMOSA-N	0	0	599.688	3.249	50	0		KGAARN
COc1ccc2cc1Oc1cccc(c1)CO[C@H]1CN(C(=O)CCc3[nH]nc4c3CCCC4)C[C@@H]1NC(=O)CN(C)C2	ZINC000952865832	1059641922	/nfs/dbraw/zinc/64/19/22/1059641922.db2.gz	UESPRKYUNNIUQS-FIBWVYCGSA-N	0	0	573.694	3.380	50	0		KGAARN
Cc1ccnn1CCC(=O)N1CC[C@H]2OCc3cccc(c3)Oc3cccc(c3)CCC(=O)N(C)CC(=O)N[C@H]2C1	ZINC000952865854	1059641992	/nfs/dbraw/zinc/64/19/92/1059641992.db2.gz	ULKNIZFMLOGYRT-WUFINQPMSA-N	0	0	559.667	3.081	50	0		KGAARN
CCOc1cc2cc(c1)C(=O)N(C)CC(=O)N[C@H]1CN(C(=O)CCc3c(C)nc4ncnn4c3C)CC[C@H]1OCc1cccc(c1)O2	ZINC000952865870	1059641948	/nfs/dbraw/zinc/64/19/48/1059641948.db2.gz	YUDRLXOTZGNUKT-XZWHSSHBSA-N	0	0	641.729	3.253	50	0		KGAARN
CCc1ocnc1C(=O)N1CC[C@H]2OCc3cccc(c3)Oc3cccc(c3)CCC(=O)N(C)CC(=O)N[C@H]2C1	ZINC000952865872	1059642005	/nfs/dbraw/zinc/64/20/05/1059642005.db2.gz	XAQFKQIMVRETCW-AZGAKELHSA-N	0	0	546.624	3.350	50	0		KGAARN
COc1cccc2c1OCCCn1cc(nn1)CCN(Cc1cnc(N3CCCC3)s1)CCNC(=O)[C@H](Cc1ccccc1)NC2=O	ZINC000952865882	1059642031	/nfs/dbraw/zinc/64/20/31/1059642031.db2.gz	UTSPSHYJNNDXMU-LJAQVGFWSA-N	0	0	658.829	3.328	50	0		KGAARN
CCN1CC(=O)N[C@H]2CN(C(=O)c3cccc(COC)n3)CC[C@@H]2OCc2cccc(c2)Oc2cccc(c2)CC1=O	ZINC000952865894	1059642066	/nfs/dbraw/zinc/64/20/66/1059642066.db2.gz	VBCURXKCNIDLJQ-VMPREFPWSA-N	0	0	572.662	3.341	50	0		KGAARN
Cc1cc(C)n(CCC(=O)N2CC[C@H]3OCc4cccc(c4)Oc4cc(ccc4C)C(=O)N(C)CC(=O)N[C@H]3C2)n1	ZINC000952865901	1059642081	/nfs/dbraw/zinc/64/20/81/1059642081.db2.gz	XJGNCCOPIVFVGX-RRPNLBNLSA-N	0	0	559.667	3.379	50	0		KGAARN
CC(C)Cc1cc(C(=O)N2CCc3cc4ccc3[C@H]2c2cccc(c2)OCCCNC(=O)CO4)[nH]c(=O)n1	ZINC000952865904	1059642018	/nfs/dbraw/zinc/64/20/18/1059642018.db2.gz	XKAHWNBDNMCGLK-HHHXNRCGSA-N	0	0	516.598	3.446	50	0		KGAARN
CCN1CC(=O)N[C@H]2CN(C(=O)c3n[nH]c4c3CCCC4)CC[C@@H]2OCc2cccc(c2)Oc2cccc(c2)CC1=O	ZINC000952865911	1059643238	/nfs/dbraw/zinc/64/32/38/1059643238.db2.gz	XLKBRSOITDDMHZ-NSOVKSMOSA-N	0	0	571.678	3.402	50	0		KGAARN
CN(C)Cc1ccc(C(=O)N2CC[C@H]3OCc4cccc(c4)Oc4cccc(c4)CCC(=O)N(C)CC(=O)N[C@H]3C2)o1	ZINC000952865928	1059643217	/nfs/dbraw/zinc/64/32/17/1059643217.db2.gz	XYYHKCWQPIYZRL-WUFINQPMSA-N	0	0	574.678	3.454	50	0		KGAARN
CCn1cc(CN2CC[C@H]3OCc4cccc(c4)Oc4cc(ccc4C)C(=O)N(C)CC(=O)N[C@H]3C2)cn1	ZINC000952865976	1059643091	/nfs/dbraw/zinc/64/30/91/1059643091.db2.gz	ZHWAMEXXSOTCGZ-IZZNHLLZSA-N	0	0	517.630	3.365	50	0		KGAARN
CCN1CC(=O)N[C@H]2CN(C(=O)c3cc[nH]n3)CC[C@@H]2OCc2cccc(c2)Oc2cc(OC(C)C)cc(c2)C1=O	ZINC000952865981	1059643149	/nfs/dbraw/zinc/64/31/49/1059643149.db2.gz	ZQTBMCOVCSRYKH-SVBPBHIXSA-N	0	0	561.639	3.381	50	0		KGAARN
COCCCN1CC(=O)N[C@H]2CN(C(=O)CCc3cnccn3)CC[C@H]2OCc2cccc(c2)Oc2ccc(cc2OC)CCC1=O	ZINC000952865982	1059643195	/nfs/dbraw/zinc/64/31/95/1059643195.db2.gz	ZRMSYGZJWLPCQL-XZWHSSHBSA-N	0	0	645.757	3.324	50	0		KGAARN
CC(C)Cc1cc(C(=O)N2CC[C@@]34c5ccccc5N(CC(=O)NCCCOc5cccc(c5)[C@H]23)C4=O)n(C)n1	ZINC000952865984	1059643126	/nfs/dbraw/zinc/64/31/26/1059643126.db2.gz	ZTJXXBDFTJJHOF-QCENPCRXSA-N	0	0	541.652	3.389	50	0		KGAARN
Cc1ccc2cc1Oc1cccc(c1)CO[C@@H]1CCN(C(=O)c3nnc4n3CCCCC4)C[C@@H]1NC(=O)CN(C)C2=O	ZINC000952866008	1059643081	/nfs/dbraw/zinc/64/30/81/1059643081.db2.gz	WBQJFZXNTGBIDM-LOSJGSFVSA-N	0	0	572.666	3.107	50	0		KGAARN
CC(C)C[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2cccc(c2)Oc2ccc(cc2)C[C@@H](C(=O)N2CCC(C(N)=O)CC2)NC1=O	ZINC000952866013	1059644173	/nfs/dbraw/zinc/64/41/73/1059644173.db2.gz	WNMBJYKVOVNHOR-QAXCHELISA-N	0	0	653.780	3.116	50	0		KGAARN
Cc1cc(C(=O)N2CC[C@H]3OCc4cccc(c4)Oc4cc(ccc4C)C(=O)N(C)CC(=O)N[C@H]3C2)no1	ZINC000952866016	1059644238	/nfs/dbraw/zinc/64/42/38/1059644238.db2.gz	WPXKZDVNYUAWJQ-BJKOFHAPSA-N	0	0	518.570	3.085	50	0		KGAARN
CCCc1cc(C(=O)N2CC[C@@H]3OCc4cccc(c4)Oc4cccc(c4)CC(=O)N(CC)CC(=O)N[C@H]3C2)[nH]n1	ZINC000952866026	1059644264	/nfs/dbraw/zinc/64/42/64/1059644264.db2.gz	XALFKKQPESXLJI-NSOVKSMOSA-N	0	0	559.667	3.475	50	0		KGAARN
Cc1cc(C(=O)N2CC[C@]34c5ccccc5N(Cc5cn(nn5)CCCOc5cccc(c5)[C@H]23)C4=O)n(C)n1	ZINC000952866044	1059644221	/nfs/dbraw/zinc/64/42/21/1059644221.db2.gz	XTHJWEHGIHQXRM-WNJJXGMVSA-N	0	0	523.597	3.175	50	0		KGAARN
CC(C)C[C@H]1NC(=O)c2cc(F)ccc2OCCn2cc(nn2)CCN(C(=O)c2c[nH]nc2C2CCCCC2)CCNC1=O	ZINC000952866048	1059644057	/nfs/dbraw/zinc/64/40/57/1059644057.db2.gz	XZXHCCQIWFUGCC-AREMUKBSSA-N	0	0	608.719	3.226	50	0		KGAARN
Cc1cc(COc2ccccc2)oc1C(=O)N1CCCCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](CC(C)C)NC(=O)Cc2cccc(c2)OCC(=O)NCCC1	ZINC000952866063	1059644192	/nfs/dbraw/zinc/64/41/92/1059644192.db2.gz	YMXOPIBRFJSGAK-FOVGZEDFSA-N	0	0	747.890	3.044	50	0		KGAARN
CC(C)C[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)Cc2ccc(F)c(c2)Oc2ccc(cc2)C[C@@H](C(=O)N2CCC[C@@H]2CO)NC1=O	ZINC000952866095	1059645363	/nfs/dbraw/zinc/64/53/63/1059645363.db2.gz	ZUMUSHMNVCIODR-NTUWNYAGSA-N	0	0	658.771	3.443	50	0		KGAARN
CNc1cc(C(=O)N2CC[C@H]3OCc4cccc(c4)Oc4cc(ccc4C)C(=O)N(C)CC(=O)N[C@H]3C2)ccn1	ZINC000952866099	1059645351	/nfs/dbraw/zinc/64/53/51/1059645351.db2.gz	ZYONMLKCHIGOSK-LOSJGSFVSA-N	0	0	543.624	3.226	50	0		KGAARN
COCCN1CC(=O)N[C@H]2CN(c3ncccc3C(F)(F)F)C[C@@H]2OCc2cccc(c2)Oc2cncc(c2)C1=O	ZINC000952866507	1059645374	/nfs/dbraw/zinc/64/53/74/1059645374.db2.gz	AEYXPXSMFDHGAO-ZEQRLZLVSA-N	0	0	571.556	3.280	50	0		KGAARN
COCc1ccc(C(=O)N2CC[C@@H]3OCc4cccc(c4)Oc4ccc(cc4)CCC(=O)N(CCCO)CC(=O)N[C@H]3C2)o1	ZINC000952866562	1059645388	/nfs/dbraw/zinc/64/53/88/1059645388.db2.gz	CHKGOFGHTOZLOP-VMPREFPWSA-N	0	0	605.688	3.292	50	0		KGAARN
O=C(N1C[C@@H]2NC(=O)c3ncccc3OCCn3cc(nn3)CO[C@H]2C1)C1(c2ccc(Cl)cc2)CCCCC1	ZINC000952866565	1059645337	/nfs/dbraw/zinc/64/53/37/1059645337.db2.gz	CKQXCTOSRVTDSO-UPVQGACJSA-N	0	0	551.047	3.147	50	0		KGAARN
COc1cccc2c1OCCCn1cc(nn1)CCN(S(=O)(=O)c1ccc(-c3cc(C)no3)o1)CCNC(=O)[C@H](Cc1ccccc1)NC2=O	ZINC000952866596	1059645308	/nfs/dbraw/zinc/64/53/08/1059645308.db2.gz	CZDXJUVRBPAYML-MHZLTWQESA-N	0	0	703.778	3.017	50	0		KGAARN
CC(C)C[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)Cc2ccc(F)c(c2)Oc2ccc(cc2)C[C@@H](C(=O)N2CC[C@@H](O)C2)NC1=O	ZINC000952866804	1059645326	/nfs/dbraw/zinc/64/53/26/1059645326.db2.gz	DVLAHJUAGIPTHG-ZSEZPNIJSA-N	0	0	644.744	3.053	50	0		KGAARN
Cc1[nH]nc(C(=O)N2CC[C@H]3OCc4cccc(c4)Oc4cc(ccc4C)C(=O)N(C)CC(=O)N[C@H]3C2)c1Cl	ZINC000952866812	1059645402	/nfs/dbraw/zinc/64/54/02/1059645402.db2.gz	FBGSHTFAKYHREJ-FCHUYYIVSA-N	0	0	552.031	3.474	50	0		KGAARN
Cc1noc(C)c1C(=O)N1CC[C@H]2OCc3cccc(c3)Oc3cccc(c3)CCC(=O)N(C)CC(=O)N[C@H]2C1	ZINC000952866835	1059645295	/nfs/dbraw/zinc/64/52/95/1059645295.db2.gz	FXMWMDIAGXPHIA-IZZNHLLZSA-N	0	0	546.624	3.404	50	0		KGAARN
CCN1CC(=O)N[C@H]2CN(C(=O)Cn3nc(C)c(C)cc3=O)CC[C@@H]2OCc2cccc(c2)Oc2cc(OC(C)C)cc(c2)C1=O	ZINC000952866836	1059646211	/nfs/dbraw/zinc/64/62/11/1059646211.db2.gz	FYOVFYZXOSAWDH-KYJUHHDHSA-N	0	0	631.730	3.218	50	0		KGAARN
Cc1ccc2cc1Oc1cccc(c1)CO[C@@H]1CCN(C(=O)c3cn4ccsc4n3)C[C@@H]1NC(=O)CN(C)C2=O	ZINC000952866837	1059646309	/nfs/dbraw/zinc/64/63/09/1059646309.db2.gz	GAKOMCQXLRISHT-LADGPHEKSA-N	0	0	559.648	3.498	50	0		KGAARN
Cc1cc(C(=O)N2CC[C@@]34c5ccccc5N(CC(=O)N(C)CCCOc5cccc(c5)[C@H]23)C4=O)cc(=O)[nH]1	ZINC000952866971	1059646270	/nfs/dbraw/zinc/64/62/70/1059646270.db2.gz	HGPWVNUTMCTCQU-BHBYDHKZSA-N	0	0	526.593	3.208	50	0		KGAARN
CC[NH+]1CCC(CC(=O)N2CCC3(Cc4cccc(c4)Oc4ccc(cc4)C[C@@H](C(=O)[O-])NC(=O)CCNC3=O)CC2)CC1	ZINC000952867122	1059646174	/nfs/dbraw/zinc/64/61/74/1059646174.db2.gz	JEUOVPCREGEICO-LJAQVGFWSA-N	0	0	604.748	3.384	50	0		KGAARN
Cc1ccc2cc1Oc1cccc(c1)CO[C@@H]1CCN(C(=O)CN(C)Cc3ccncc3)C[C@@H]1NC(=O)CN(C)C2=O	ZINC000952867248	1059646239	/nfs/dbraw/zinc/64/62/39/1059646239.db2.gz	KKVWABMRXFAAOR-WUFINQPMSA-N	0	0	571.678	3.002	50	0		KGAARN
COc1cc2ccc1Oc1cccc(c1)CO[C@H]1CN(C(=O)c3cnc4ccnn4c3C)C[C@@H]1NC(=O)CN(C1CC1)C(=O)CC2	ZINC000952867296	1059646281	/nfs/dbraw/zinc/64/62/81/1059646281.db2.gz	MINYDVVSRWKJOG-FIBWVYCGSA-N	0	0	624.698	3.302	50	0		KGAARN
COc1cc2cc(c1)C(=O)NCCCC(=O)N[C@H]1CN(C(=O)Cc3cc(C)no3)CC[C@@H]1OCc1cccc(c1)O2	ZINC000952867444	1059646153	/nfs/dbraw/zinc/64/61/53/1059646153.db2.gz	NJSDPEYAKZEUCY-SVBPBHIXSA-N	0	0	562.623	3.153	50	0		KGAARN
COc1cccc2c1OCCCn1cc(nn1)CCN(C(=O)c1cccc3c1CCC3=O)CCNC(=O)[C@H](Cc1ccccc1)NC2=O	ZINC000952867571	1059646197	/nfs/dbraw/zinc/64/61/97/1059646197.db2.gz	PKDPYFUOERQULQ-PMERELPUSA-N	0	0	650.736	3.041	50	0		KGAARN
COCCOc1cc2cc(c1)C(=O)NCCNC(=O)N[C@H]1CCN(C(=O)c3cnn(C(C)C)c3)C[C@@H]1OCc1cccc(c1)O2	ZINC000952867581	1059646221	/nfs/dbraw/zinc/64/62/21/1059646221.db2.gz	QAXGNSLEGLZABT-VMPREFPWSA-N	0	0	620.707	3.124	50	0		KGAARN
COCCCN1CC(=O)N[C@H]2CN(C(=O)C3CC3)CC[C@H]2OCc2cccc(c2)Oc2ccc(cc2OC)CCC1=O	ZINC000952867806	1059646297	/nfs/dbraw/zinc/64/62/97/1059646297.db2.gz	RWWREXBODIAWLC-RRPNLBNLSA-N	0	0	579.694	3.311	50	0		KGAARN
COc1ccc2cc1Oc1cccc(c1)CO[C@@H]1CCN(C(=O)c3c(C)ncn3C)C[C@@H]1NC(=O)CC2	ZINC000952867855	1059647441	/nfs/dbraw/zinc/64/74/41/1059647441.db2.gz	UDHDEYSANKTYCD-XZOQPEGZSA-N	0	0	504.587	3.392	50	0		KGAARN
Cc1ccc2cc1Oc1cccc(c1)CO[C@H]1CN(C(=O)c3cnc(NC(C)C)nc3)C[C@@H]1NC(=O)CN(C)C2=O	ZINC000952868080	1059613374	/nfs/dbraw/zinc/61/33/74/1059613374.db2.gz	BAOPTAUIDGBQKG-AHWVRZQESA-N	0	0	558.639	3.009	50	0		KGAARN
Cc1ccc2cc1Oc1cccc(c1)CO[C@@H]1CCN(Cc3noc(C4CC4)n3)C[C@@H]1NC(=O)CN(C)C2=O	ZINC000952868084	1059613389	/nfs/dbraw/zinc/61/33/89/1059613389.db2.gz	BEPWGOFTFIBMND-BJKOFHAPSA-N	0	0	531.613	3.409	50	0		KGAARN
COCCN1CC(=O)N[C@H]2CN(Cc3cc4c(cc3OC)OCCCO4)C[C@@H]2OCc2cccc(c2)Oc2cncc(c2)C1=O	ZINC000952868090	1059613438	/nfs/dbraw/zinc/61/34/38/1059613438.db2.gz	YFOMQSPOPNAKAB-DHIFEGFHSA-N	0	0	618.687	3.032	50	0		KGAARN
O=C(c1ncoc1C1CC1)N1CC[C@@H]2OCc3cccc(c3)Oc3cncc(c3)C(=O)NCCCC(=O)N[C@H]2C1	ZINC000952868099	1059613401	/nfs/dbraw/zinc/61/34/01/1059613401.db2.gz	YNYOLVZKAUHQGD-ZEQRLZLVSA-N	0	0	545.596	3.179	50	0		KGAARN
CC(C)C[C@@H]1NC(=O)CN(C(=O)CCc2ccc(-c3cccs3)o2)CCNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)N(C)C1=O	ZINC000952868117	1059613333	/nfs/dbraw/zinc/61/33/33/1059613333.db2.gz	BUOLJIRUHBBTAA-YGPDHOBYSA-N	0	0	649.814	3.004	50	0		KGAARN
COc1ccc2cc1Oc1cccc(c1)CO[C@H]1CN(CCn3c4ccccc4oc3=O)C[C@@H]1NC(=O)CN(C)C2	ZINC000952868144	1059614578	/nfs/dbraw/zinc/61/45/78/1059614578.db2.gz	CBJJDOZOXXFFLW-OUTSHDOLSA-N	0	0	558.635	3.227	50	0		KGAARN
CNC(=O)[C@@H]1CCCN1C(=O)[C@@H]1Cc2ccc(cc2)Oc2cccc(c2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CC(C)C)C(=O)N1	ZINC000952868182	1059614688	/nfs/dbraw/zinc/61/46/88/1059614688.db2.gz	CQDBJUANUNRKLW-RACKDBBVSA-N	0	0	653.780	3.129	50	0		KGAARN
CN1CC(=O)N[C@H]2CN(C(=O)c3ccc4c(c3)ncn4CCO)CC[C@H]2OCc2cccc(c2)Oc2cccc(c2)CCC1=O	ZINC000952868202	1059614639	/nfs/dbraw/zinc/61/46/39/1059614639.db2.gz	DVEKFZPYPOIXCM-IGYGKHONSA-N	0	0	611.699	3.142	50	0		KGAARN
CN1CC(=O)N[C@H]2CN(C(=O)c3c4c(nn3C)CCCC4)CC[C@H]2OCc2cccc(c2)Oc2cccc(c2)CCC1=O	ZINC000952868240	1059614558	/nfs/dbraw/zinc/61/45/58/1059614558.db2.gz	GXUSPMQHNMWBTR-URLMMPGGSA-N	0	0	585.705	3.412	50	0		KGAARN
O=C(c1ccc(=O)[nH]c1)N1CC[C@@]23c4ccccc4N(Cc4cn(nn4)CCCOc4cccc(c4)[C@H]12)C3=O	ZINC000952868248	1059614610	/nfs/dbraw/zinc/61/46/10/1059614610.db2.gz	HCCMKDUVFGJQEZ-LITSAYRRSA-N	0	0	522.565	3.233	50	0		KGAARN
COCCN1CC(=O)N[C@H]2CN(C(=O)c3ccc(OC)o3)C[C@@H]2OCc2cccc(c2)Oc2cc(ccc2OC)CCC1=O	ZINC000952868294	1059614657	/nfs/dbraw/zinc/61/46/57/1059614657.db2.gz	IWWAWPROKVCGLK-CUBQBAPOSA-N	0	0	607.660	3.036	50	0		KGAARN
CC(=O)N[C@H]1CCN(C(=O)[C@@H]2Cc3ccc(cc3)Oc3cc(ccc3F)CC(=O)N[C@H](Cc3ccccc3)C(=O)N[C@@H](CC(C)C)C(=O)N2)C1	ZINC000952868307	1059614672	/nfs/dbraw/zinc/61/46/72/1059614672.db2.gz	JHNYCKRKOWDBJC-RACJEYCXSA-N	0	0	685.797	3.197	50	0		KGAARN
COCCCN1CC(=O)N[C@H]2CN(C(=O)c3cncnc3)CC[C@H]2OCc2cccc(c2)Oc2ccc(cc2OC)CCC1=O	ZINC000952868348	1059615277	/nfs/dbraw/zinc/61/52/77/1059615277.db2.gz	LJHNTXSRQALBND-WUFINQPMSA-N	0	0	617.703	3.005	50	0		KGAARN
COCCOc1cc2cc(c1)C(=O)NCCNC(=O)N[C@H]1CCN(C(=O)Cc3sc(C)nc3C)C[C@@H]1OCc1cccc(c1)O2	ZINC000952868413	1059615363	/nfs/dbraw/zinc/61/53/63/1059615363.db2.gz	NNNGNRFDGZMFMW-NSOVKSMOSA-N	0	0	637.759	3.349	50	0		KGAARN
COCCN1CC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]2CN(C(=O)c3c[nH]c4ccccc43)C[C@H]2c2cccc(c2)OCC(=O)N[C@H](CC(C)C)C1=O	ZINC000952868509	1059615417	/nfs/dbraw/zinc/61/54/17/1059615417.db2.gz	AEHFJNCIMZLVHI-HRVOSISDSA-N	0	0	736.870	3.018	50	0		KGAARN
O=C(c1ccc2c(c1)OCO2)N1CC[C@@H]2OCc3cccc(c3)Oc3ccc(cc3)CCC(=O)N(CCCO)CC(=O)N[C@H]2C1	ZINC000952868557	1059615299	/nfs/dbraw/zinc/61/52/99/1059615299.db2.gz	AHYPRGGTHMGPQI-VMPREFPWSA-N	0	0	615.683	3.281	50	0		KGAARN
COc1ccc2cc1Oc1cccc(c1)CO[C@H]1CN(Cc3ccccc3OCCO)C[C@@H]1NC(=O)CN(C)C2	ZINC000952868658	1059615456	/nfs/dbraw/zinc/61/54/56/1059615456.db2.gz	CHLBWSQUARTGST-YZNIXAGQSA-N	0	0	547.652	3.190	50	0		KGAARN
COCCCN1CC(=O)N[C@H]2CN(C(=O)C3CCOCC3)CC[C@H]2OCc2cccc(c2)Oc2ccc(cc2OC)CCC1=O	ZINC000952868693	1059615333	/nfs/dbraw/zinc/61/53/33/1059615333.db2.gz	RLZJZBIMYZHZKM-URLMMPGGSA-N	0	0	623.747	3.328	50	0		KGAARN
Cc1nc(CC(=O)N2CC[C@@H]3OCc4cccc(c4)Oc4cncc(c4)C(=O)NCCCC(=O)N[C@H]3C2)cs1	ZINC000952868937	1059615513	/nfs/dbraw/zinc/61/55/13/1059615513.db2.gz	FHJKXZXHEHUOGY-DQEYMECFSA-N	0	0	549.653	3.007	50	0		KGAARN
CC(C)C[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)Cc2ccc(F)c(c2)Oc2ccc(cc2)C[C@H](C(=O)N(C)CCCO)NC1=O	ZINC000952868987	1059615440	/nfs/dbraw/zinc/61/54/40/1059615440.db2.gz	CWMIZOASNWNJIB-OJDZSJEKSA-N	0	0	646.760	3.301	50	0		KGAARN
CCN1CC(=O)N[C@H]2CN(C(=O)c3ccc(N(C)C)nc3)CC[C@@H]2OCc2cccc(c2)Oc2cccc(c2)CC1=O	ZINC000952869034	1059616682	/nfs/dbraw/zinc/61/66/82/1059616682.db2.gz	LBUBFDCDJWYYGX-NSOVKSMOSA-N	0	0	571.678	3.261	50	0		KGAARN
O=C(c1cccn2cnnc12)N1CC[C@H]2OCc3cccc(c3)Oc3cc(OCC4CC4)cc(c3)C(=O)NCCC(=O)N[C@H]2C1	ZINC000952869089	1059616653	/nfs/dbraw/zinc/61/66/53/1059616653.db2.gz	WQRJWAHOANSTST-URLMMPGGSA-N	0	0	610.671	3.360	50	0		KGAARN
COc1cc2cc(c1)C(=O)NCCCC(=O)N[C@H]1CN(C(=O)CCN3CCCCCC3=O)CC[C@@H]1OCc1cccc(c1)O2	ZINC000952869109	1059616739	/nfs/dbraw/zinc/61/67/39/1059616739.db2.gz	ILVSFRGFBJMYJF-VMPREFPWSA-N	0	0	606.720	3.406	50	0		KGAARN
COc1cc2cc(c1)C(=O)NCCCC(=O)N[C@H]1CN(C(=O)Cc3ccc(S(C)(=O)=O)cc3)CC[C@@H]1OCc1cccc(c1)O2	ZINC000952869163	1059616748	/nfs/dbraw/zinc/61/67/48/1059616748.db2.gz	XUECCOBJPODLKF-KYJUHHDHSA-N	0	0	635.739	3.260	50	0		KGAARN
COc1cc2cc(c1)C(=O)NCCCC(=O)N[C@H]1CN(C(=O)Cn3cnc4ccccc4c3=O)CC[C@@H]1OCc1cccc(c1)O2	ZINC000952869167	1059616667	/nfs/dbraw/zinc/61/66/67/1059616667.db2.gz	XWHKEYDYWSOHET-KYJUHHDHSA-N	0	0	625.682	3.024	50	0		KGAARN
CCN1CC(=O)N[C@H]2CN(C(=O)CCCn3ccnc3C)CC[C@@H]2OCc2cccc(c2)Oc2cccc(c2)CC1=O	ZINC000952869168	1059616693	/nfs/dbraw/zinc/61/66/93/1059616693.db2.gz	FKMJNQCKHWLGCA-VMPREFPWSA-N	0	0	573.694	3.471	50	0		KGAARN
Cc1cc(C[NH+]2CCC3(Cc4cccc(c4)Oc4ccc(cc4)C[C@@H](C(=O)[O-])NC(=O)CCNC3=O)CC2)on1	ZINC000952869192	1059617260	/nfs/dbraw/zinc/61/72/60/1059617260.db2.gz	YIVQWGMVRDWITO-SANMLTNESA-N	0	0	546.624	3.232	50	0		KGAARN
Cc1c(CN2CCN3C(=O)CNC(=O)c4cc(OCC(C)C)cc(c4)Oc4cccc(c4)CCNC(=O)[C@H]3C2)c(=O)n(-c2ccccc2)n1C	ZINC000952869261	1059617328	/nfs/dbraw/zinc/61/73/28/1059617328.db2.gz	ZCFJXYLWMZJXQK-UUWRZZSWSA-N	0	0	680.806	3.427	50	0		KGAARN
CN1CC(=O)N[C@H]2CN(C(=O)c3cc(C4CC4)n[nH]3)CC[C@H]2OCc2cccc(c2)Oc2cccc(c2)CCC1=O	ZINC000952869304	1059617474	/nfs/dbraw/zinc/61/74/74/1059617474.db2.gz	ZNPOSBOUXGRQNA-WUFINQPMSA-N	0	0	557.651	3.400	50	0		KGAARN
Cc1oc2c(c1C(=O)N1CCC3(Cc4cn(nn4)CCCOc4ccc(cc4)CCNC3=O)CC1)C(=O)CCC2	ZINC000952869321	1059617309	/nfs/dbraw/zinc/61/73/09/1059617309.db2.gz	ZVNYUGJFNURTCS-UHFFFAOYSA-N	0	0	545.640	3.305	50	0		KGAARN
COc1ccc2cc1Oc1cccc(c1)CO[C@H]1CN(C(=O)Cc3cc(OC)c(OC)c(OC)c3)C[C@@H]1NC(=O)CN(C)C2	ZINC000952869454	1059617433	/nfs/dbraw/zinc/61/74/33/1059617433.db2.gz	KOMBWETXEZRMIB-QCDSWUKFSA-N	0	0	605.688	3.414	50	0		KGAARN
COCCOc1cc2cc(c1)C(=O)NCCNC(=O)N[C@H]1CC[N@H+](Cc3cccc(C(=O)[O-])c3)C[C@@H]1OCc1cccc(c1)O2	ZINC000952869628	1059617517	/nfs/dbraw/zinc/61/75/17/1059617517.db2.gz	KQGKGXXNTFHYNX-KYJUHHDHSA-N	0	0	618.687	3.405	50	0		KGAARN
COc1ccc2cc1OCC(=O)N[C@@H](C)C(=O)N(C)CCCCN(C(=O)c1cc3cc(C)ccc3n1C)CCCNC(=O)CC2	ZINC000952869634	1059617407	/nfs/dbraw/zinc/61/74/07/1059617407.db2.gz	XESXHVLKEQINPD-DEOSSOPVSA-N	0	0	619.763	3.212	50	0		KGAARN
COCCN1CC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]2CN(C(=O)c3cc(-c4ccccc4)no3)C[C@H]2c2cccc(c2)OCC(=O)N[C@H](CC(C)C)C1=O	ZINC000952869736	1059617448	/nfs/dbraw/zinc/61/74/48/1059617448.db2.gz	NPHJGZPOSLZMBR-HRVOSISDSA-N	0	0	764.880	3.192	50	0		KGAARN
CCN1CC(=O)N[C@H]2CN(C(=O)c3sc4ncn(C)c(=O)c4c3C)CC[C@@H]2OCc2cccc(c2)Oc2cccc(c2)CC1=O	ZINC000952869749	1059617579	/nfs/dbraw/zinc/61/75/79/1059617579.db2.gz	ZQASZQSSINFOCO-UIOOFZCWSA-N	0	0	629.739	3.416	50	0		KGAARN
O=C(c1cncs1)N1CC[C@@H]2OCc3cccc(c3)Oc3ccc(cc3)CCC(=O)N(CCCO)CC(=O)N[C@H]2C1	ZINC000952869764	1059617559	/nfs/dbraw/zinc/61/75/59/1059617559.db2.gz	OALCQNUFRPLBIC-UIOOFZCWSA-N	0	0	578.691	3.009	50	0		KGAARN
CCOc1cc2cc(c1)C(=O)N(C)CC(=O)N[C@H]1CN(C(=O)c3ccc(OC)nc3OC)CC[C@H]1OCc1cccc(c1)O2	ZINC000952869796	1059619043	/nfs/dbraw/zinc/61/90/43/1059619043.db2.gz	OZWOPFHDFBORLX-RRPNLBNLSA-N	0	0	604.660	3.292	50	0		KGAARN
CN1CC(=O)N[C@H]2CN(C(=O)c3nn(C)cc3Cl)CC[C@H]2OCc2cccc(c2)Oc2cccc(c2)CCC1=O	ZINC000952869963	1059618932	/nfs/dbraw/zinc/61/89/32/1059618932.db2.gz	RGCRWPAINAEQRM-LOSJGSFVSA-N	0	0	566.058	3.187	50	0		KGAARN
COc1ccc2cc1OCC(=O)N[C@@H](C)C(=O)N(C)CCCCN(C(=O)Cc1c(C)[nH]c3ccccc31)CCCNC(=O)CC2	ZINC000952870032	1059619050	/nfs/dbraw/zinc/61/90/50/1059619050.db2.gz	QHQJRCPXFDEVBS-DEOSSOPVSA-N	0	0	619.763	3.131	50	0		KGAARN
COc1ccc2cc1O[C@H]1C[C@@H](C(=O)NCCCCN(C(=O)C3CCOCC3)CCCNC2=O)N(C(=O)c2cc(-c3ccccc3)on2)C1	ZINC000952870202	1059618952	/nfs/dbraw/zinc/61/89/52/1059618952.db2.gz	XMMSCOBWALBBFX-YTMVLYRLSA-N	0	0	673.767	3.297	50	0		KGAARN
COCCN1CC(=O)N[C@H]2CN(C(=O)c3scc4c3CCCC4)C[C@@H]2OCc2cccc(c2)Oc2cncc(c2)C1=O	ZINC000952870215	1059619016	/nfs/dbraw/zinc/61/90/16/1059619016.db2.gz	XYHIVQSEYBLCSY-SVBPBHIXSA-N	0	0	590.702	3.442	50	0		KGAARN
Cc1cccc(C)c1OCCC(=O)N1CC2(C1)C/C=C/COc1ccccc1C(=O)NCCN(C)C2=O	ZINC000952876172	1059619025	/nfs/dbraw/zinc/61/90/25/1059619025.db2.gz	DOEYGSBDZCESQE-VOTSOKGWSA-N	0	0	505.615	3.128	50	0		KGAARN
O=C(c1ccoc1Cl)N1CCC(=O)NCCN(c2cc(C(F)(F)F)nc(-c3cccnc3)n2)CC1	ZINC000952878738	1059619066	/nfs/dbraw/zinc/61/90/66/1059619066.db2.gz	DEZRNPXHXDHPFB-UHFFFAOYSA-N	0	0	508.888	3.273	50	0		KGAARN
O=C(c1sccc1F)N1CCC(=O)NCCN(c2cc(C(F)(F)F)nc(-c3cccnc3)n2)CC1	ZINC000952879683	1059618966	/nfs/dbraw/zinc/61/89/66/1059618966.db2.gz	KQSKVECICGNRKC-UHFFFAOYSA-N	0	0	508.501	3.227	50	0		KGAARN
COC(=O)c1ccc(F)c(C(=O)N2CCN(c3cc(S(=O)(=O)N4CCC[C@@H](C)C4)ccc3OC)CC2)c1	ZINC000952880111	1059618898	/nfs/dbraw/zinc/61/88/98/1059618898.db2.gz	UIWHOALNKQCJIE-GOSISDBHSA-N	0	0	533.622	3.004	50	0		KGAARN
COC(=O)c1ccc(F)c(C(=O)N2CCN(c3cc(S(=O)(=O)N4CCC[C@H](C)C4)ccc3OC)CC2)c1	ZINC000952880125	1059619694	/nfs/dbraw/zinc/61/96/94/1059619694.db2.gz	UIWHOALNKQCJIE-SFHVURJKSA-N	0	0	533.622	3.004	50	0		KGAARN
CC(C)C[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2cccc(c2)Oc2ccc(cc2)C[C@@H](C(=O)N(C)CCCO)NC1=O	ZINC000952967830	1059648305	/nfs/dbraw/zinc/64/83/05/1059648305.db2.gz	CUIPDXJGFDNACQ-YPKYBTACSA-N	0	0	614.743	3.233	50	0		KGAARN
O=C1CCNC(=O)c2cc(OCC3CC3)cc(c2)Oc2cccc(c2)CO[C@@H]2CCN(c3ncccn3)C[C@@H]2N1	ZINC000952968559	1059648446	/nfs/dbraw/zinc/64/84/46/1059648446.db2.gz	FKOLFLLLAMGKBD-RRPNLBNLSA-N	0	0	543.624	3.472	50	0		KGAARN
CC(=O)N[C@H]1CCN(C(=O)[C@H]2Cc3ccc(cc3)Oc3cc(ccc3F)CC(=O)N[C@H](Cc3ccccc3)C(=O)N[C@@H](CC(C)C)C(=O)N2)C1	ZINC000952969410	1059647447	/nfs/dbraw/zinc/64/74/47/1059647447.db2.gz	JHNYCKRKOWDBJC-OYUXKOKYSA-N	0	0	685.797	3.197	50	0		KGAARN
COc1ccc2cc1Oc1cccc(c1)CCNC(=O)[C@H]1CN(C(=O)c3noc4c3CCCC4)CCN1C(=O)[C@@H](C(C)C)NC2=O	ZINC000952969525	1059647380	/nfs/dbraw/zinc/64/73/80/1059647380.db2.gz	AXMIGBWJGWQJEN-VAVYLYDRSA-N	0	0	629.714	3.134	50	0		KGAARN
CC(C)C[C@@H]1NC(=O)c2cccc(c2)Oc2ccc(cc2)C[C@@H](C(=O)NCC2=CSC3=NCCN23)NC1=O	ZINC000952971354	1059647529	/nfs/dbraw/zinc/64/75/29/1059647529.db2.gz	DFRPROXNIOEGDO-ZEQRLZLVSA-N	0	0	533.654	3.040	50	0		KGAARN
Cc1ccc2cc1Oc1cccc(c1)CO[C@@H]1CCN(C(=O)CCc3c(C)nc4ncnn4c3C)C[C@@H]1NC(=O)CN(C)C2=O	ZINC000952971861	1059647421	/nfs/dbraw/zinc/64/74/21/1059647421.db2.gz	GOFHYLDKGAGCTN-WUFINQPMSA-N	0	0	611.703	3.163	50	0		KGAARN
Cc1ccc2cc1Oc1cccc(c1)CO[C@@H]1CCN(C(=O)c3ccc[nH]3)C[C@@H]1NC(=O)CN(C)C2=O	ZINC000952972565	1059647405	/nfs/dbraw/zinc/64/74/05/1059647405.db2.gz	PBPVNHWNGOSVTK-BJKOFHAPSA-N	0	0	502.571	3.117	50	0		KGAARN
Cc1ccc2cc1Oc1cccc(c1)CO[C@H]1CN(c3cnc(C)c(C)n3)C[C@@H]1NC(=O)CN(C)C2=O	ZINC000952973438	1059647549	/nfs/dbraw/zinc/64/75/49/1059647549.db2.gz	SNSBEQBYBUVRRN-ZCYQVOJMSA-N	0	0	501.587	3.170	50	0		KGAARN
Cc1ncc(CN2CC[C@H]3OCc4cccc(c4)Oc4cc(ccc4C)C(=O)N(C)CC(=O)N[C@H]3C2)n1C	ZINC000952974475	1059647461	/nfs/dbraw/zinc/64/74/61/1059647461.db2.gz	VAOSOCNKACUIJD-IZZNHLLZSA-N	0	0	517.630	3.191	50	0		KGAARN
O=C1COc2ccc3c(c2)CCN(C(=O)CC2=CSC4=NCCCN24)[C@H]3c2cccc(c2)OCCCN1	ZINC000952975356	1059647501	/nfs/dbraw/zinc/64/75/01/1059647501.db2.gz	XVSZKJCXKCNSSY-MHZLTWQESA-N	0	0	518.639	3.478	50	0		KGAARN
Cc1cc(CC(=O)N2C[C@@H]3NC(=O)CN(C4CC4)Cc4cccc(c4)Oc4cccc(c4)CO[C@H]3C2)on1	ZINC000952976301	1059648240	/nfs/dbraw/zinc/64/82/40/1059648240.db2.gz	QLVYLYSUOMLDRK-SVBPBHIXSA-N	0	0	516.598	3.208	50	0		KGAARN
COc1ccc2cc1Oc1cccc(c1)CCNC(=O)[C@H]1CN(C(=O)c3c(C)nc4sccn43)CCN1C(=O)[C@@H](C(C)C)NC2=O	ZINC000952977176	1059648406	/nfs/dbraw/zinc/64/84/06/1059648406.db2.gz	SQOIFMRYALIUMA-SHQCIBLASA-N	0	0	644.754	3.285	50	0		KGAARN
CC(=O)O[C@@H]1C=C[C@@](C)(O)C(=O)[C@H](C)CC=C[C@H]2[C@H](O)C(C)=C(C)[C@H]3[C@H](Cc4ccccc4)NC(=O)[C@]321	ZINC001500985903	1060034951	/nfs/dbraw/zinc/03/49/51/1060034951.db2.gz	NAIODHJWOHMDJX-FNUWZCTMSA-N	0	0	507.627	3.061	50	0		KGAARN
CC(=O)O[C@@H]1C=C[C@@](C)(O)C(=O)[C@H](C)CC=C[C@H]2[C@H](O)C(C)=C(C)[C@@H]3[C@H](Cc4ccccc4)NC(=O)[C@]321	ZINC001500985904	1060035280	/nfs/dbraw/zinc/03/52/80/1060035280.db2.gz	NAIODHJWOHMDJX-WLXMOVQUSA-N	0	0	507.627	3.061	50	0		KGAARN
CC(=O)O[C@]12CO[C@H]1C[C@@H](O)[C@]1(C)C(=O)[C@@H](O)C3=C(C)[C@H](OC(=O)[C@@H](O)[C@H](NC(=O)OC(C)(C)C)c4ccccc4)C[C@](O)([C@H](OC(=O)c4ccccc4)[C@H]21)C3(C)C	ZINC001529331758	1060036563	/nfs/dbraw/zinc/03/65/63/1060036563.db2.gz	ZDZOTLJHXYCWBA-LPDRMYLZSA-N	0	0	807.890	3.260	50	0		KGAARN
CC(=O)O[C@]12CO[C@H]1C[C@@H](O)[C@]1(C)C(=O)[C@@H](O)C3=C(C)[C@@H](OC(=O)[C@@H](O)[C@H](NC(=O)c4ccccc4)c4ccccc4)C[C@](O)([C@@H](OC(=O)c4ccccc4)[C@@H]21)C3(C)C	ZINC001529382527	1060036516	/nfs/dbraw/zinc/03/65/16/1060036516.db2.gz	TYLVGQKNNUHXIP-KERZSKHCSA-N	0	0	811.881	3.165	50	0		KGAARN
COc1ccc(C(c2ccccc2)(c2ccc(OC)cc2)[C@@H](O)[C@@H]2O[C@H](n3cnc4c3nc(NC(=O)C(C)C)[nH]c4=O)[C@@H](O)[C@H]2O)cc1	ZINC001529548046	1060036494	/nfs/dbraw/zinc/03/64/94/1060036494.db2.gz	LCONRKMFLXPTDC-BIRRFFDLSA-N	0	0	655.708	3.158	50	0		KGAARN